A0A077ZBG8_TRITR Loading...

E3 UbLigase R4 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZBG8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 800 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
1M42Very low53.1Low201 Ų20190.7 Ų90.799%0.9950%0.499SS*.  0-55.70-65.4-156.7-37.300112.7V3 A4 R5M1-V3 VanDerWaalsContact C-N 3.32Å; M1-V3 PolarHBondContact O-N 3.19Å; M1-A4 PolarHBondContact O-N 3.5Å; M1-A4 VanDerWaalsContact O-N 3.13Å; M1-R5 PolarHBondContact O-N 3.08Å
2N44.6Very low53.4Low100 Ų10084.3 Ų84.354%0.53546%0.463SS..Hα-helixtrans-55.6-41.8-178.9-67-14.5000113.6R5 D6N2-R5 WeakPolarHBondContact O-CB 3.49Å; N2-R5 PolarHBondContact O-N 3.12Å; N2-D6 PolarHBondContact O-N 3.22Å
3V50.4Low54Low106 Ų10682.3 Ų82.364%0.64245%0.451SS*.Hα-helixtrans-64.5-42.7176.4-179.80000112.6M1 R5 D6 N7M1-V3 VanDerWaalsContact C-N 3.32Å; M1-V3 PolarHBondContact O-N 3.19Å; V3-R5 VanDerWaalsContact C-N 3.27Å; V3-R5 PolarHBondContact O-N 3.42Å; V3-D6 PolarHBondContact O-N 2.97Å; V3-N7 VanDerWaalsContact O-CB 3.31Å; V3-N7 WeakPolarHBondContact O-CB 3.4Å; V3-N7 PolarHBondContact O-N 3.18Å; V3-N7 PolarHBondContact O-OD1 2.86Å
4A50.2Low54.7Low67 Ų6785 Ų8555%0.55447%0.465SS*.Hα-helixtrans-64.9-33.5175.800000111.8M1 F8M1-A4 PolarHBondContact O-N 3.5Å; M1-A4 VanDerWaalsContact O-N 3.13Å; A4-F8 WeakPolarHBondContact O-CB 3.39Å; A4-F8 PolarHBondContact O-N 2.96Å
5R49.3Very low55Low106 Ų10682.3 Ų82.340%0.445%0.452SS..Hα-helixtrans-67.7-48.5174.4175.7-161.368.9-171.50.1111.9M1 N2 V3 N7 F8 L9M1-R5 PolarHBondContact O-N 3.08Å; N2-R5 WeakPolarHBondContact O-CB 3.49Å; N2-R5 PolarHBondContact O-N 3.12Å; V3-R5 VanDerWaalsContact C-N 3.27Å; V3-R5 PolarHBondContact O-N 3.42Å; R5-N7 VanDerWaalsContact C-N 3.29Å; R5-N7 PolarHBondContact O-N 3.19Å; R5-F8 PolarHBondContact O-N 2.64Å; R5-L9 HydrophobicContact CG-CD1 4.14Å; R5-L9 WeakPolarHBondContact O-CG 3.36Å; R5-L9 PolarHBondContact O-N 3.38Å
6D53.8Low55.2Low77 Ų7780 Ų8041%0.41244%0.439SS..Hα-helixtrans-68-35.1-178.4-58.4-15.3000110N2 V3 A10N2-D6 PolarHBondContact O-N 3.22Å; V3-D6 PolarHBondContact O-N 2.97Å; D6-A10 WeakPolarHBondContact O-CB 3.36Å; D6-A10 PolarHBondContact O-N 3.02Å
7N57.8Low55.5Low99 Ų9983 Ų8353%0.52945%0.454SS..Hα-helixtrans-66.6-41.3170.7-70.7-5.5000112.7V3 R5 A10 V11V3-N7 VanDerWaalsContact O-CB 3.31Å; V3-N7 WeakPolarHBondContact O-CB 3.4Å; V3-N7 PolarHBondContact O-N 3.18Å; V3-N7 PolarHBondContact O-OD1 2.86Å; R5-N7 VanDerWaalsContact C-N 3.29Å; R5-N7 PolarHBondContact O-N 3.19Å; N7-A10 PolarHBondContact O-N 3.37Å; N7-V11 VanDerWaalsContact O-CG2 3.29Å; N7-V11 WeakPolarHBondContact O-CG2 3.45Å; N7-V11 PolarHBondContact O-N 3.06Å
8F56.6Low55.4Low68 Ų6880.5 Ų80.530%0.29845%0.446SS..Hα-helixtrans-61.8-48.8175.2-179.7-106.4000110.4A4 R5 A10 V11 L12 V30 L34A4-F8 WeakPolarHBondContact O-CB 3.39Å; A4-F8 PolarHBondContact O-N 2.96Å; R5-F8 PolarHBondContact O-N 2.64Å; F8-A10 VanDerWaalsContact C-N 3.32Å; F8-A10 PolarHBondContact O-N 3.48Å; F8-V11 PolarHBondContact O-N 3.11Å; F8-L12 HydrophobicContact CD1-CD1 3.92Å; F8-L12 HydrophobicContact CD1-CG 4.15Å; F8-L12 HydrophobicContact CE1-CD1 3.5Å; F8-L12 HydrophobicContact CE1-CD2 4.13Å; F8-L12 HydrophobicContact CE1-CG 3.93Å; F8-L12 HydrophobicContact CE2-CD2 4.15Å; F8-L12 HydrophobicContact CZ-CD1 4.06Å; F8-L12 HydrophobicContact CZ-CD2 3.83Å; F8-L12 HydrophobicContact CZ-CG 4.14Å; F8-L12 VanDerWaalsContact O-CG 3.29Å; F8-L12 WeakPolarHBondContact O-CG 3.41Å; F8-L12 PolarHBondContact O-N 2.62Å; F8-V30 HydrophobicContact CE2-CG1 3.68Å; F8-V30 HydrophobicContact CZ-CG1 3.73Å; F8-L34 HydrophobicContact CE1-CD2 3.88Å; F8-L34 HydrophobicContact CZ-CD2 4.4Å
9L53.5Low55.2Low44 Ų4486.8 Ų86.823%0.2347%0.472CS..Hα-helixtrans-59.5-38.9176-73.2167.4000112.7R5 L12 D13R5-L9 HydrophobicContact CG-CD1 4.14Å; R5-L9 WeakPolarHBondContact O-CG 3.36Å; R5-L9 PolarHBondContact O-N 3.38Å; L9-L12 HydrophobicContact CD2-CD1 4.38Å; L9-L12 WeakPolarHBondContact O-CB 3.23Å; L9-L12 PolarHBondContact O-N 3.36Å; L9-D13 PolarHBondContact O-N 3.28Å
10A64.1Low55.2Low48 Ų4885.4 Ų85.440%0.39746%0.464SS..Hα-helixtrans-64.8-44.1174.900000112D6 N7 F8 L12 D13 D14D6-A10 WeakPolarHBondContact O-CB 3.36Å; D6-A10 PolarHBondContact O-N 3.02Å; N7-A10 PolarHBondContact O-N 3.37Å; F8-A10 VanDerWaalsContact C-N 3.32Å; F8-A10 PolarHBondContact O-N 3.48Å; A10-L12 PolarHBondContact O-N 3.36Å; A10-D13 PolarHBondContact O-N 3.37Å; A10-D14 PolarHBondContact O-N 3.07Å
11V62.2Low55.3Low82 Ų8287.3 Ų87.350%0.49746%0.464SS..Hα-helixtrans-61.9-35.3173.2172.90000110.9N7 F8 D14 V15N7-V11 VanDerWaalsContact O-CG2 3.29Å; N7-V11 WeakPolarHBondContact O-CG2 3.45Å; N7-V11 PolarHBondContact O-N 3.06Å; F8-V11 PolarHBondContact O-N 3.11Å; V11-D14 PolarHBondContact O-N 2.86Å; V11-V15 HydrophobicContact CG1-CG2 4.49Å; V11-V15 VanDerWaalsContact O-CG2 3.28Å; V11-V15 WeakPolarHBondContact O-CG2 3.35Å; V11-V15 PolarHBondContact O-N 3.46Å
12L56.1Low56.3Low13 Ų1386.2 Ų86.27%0.06845%0.449CS..Hα-helixtrans-65.1-46.8174-65.6-171.2000111.9F8 L9 A10 D14 V15 L16 F27F8-L12 HydrophobicContact CD1-CD1 3.92Å; F8-L12 HydrophobicContact CD1-CG 4.15Å; F8-L12 HydrophobicContact CE1-CD1 3.5Å; F8-L12 HydrophobicContact CE1-CD2 4.13Å; F8-L12 HydrophobicContact CE1-CG 3.93Å; F8-L12 HydrophobicContact CE2-CD2 4.15Å; F8-L12 HydrophobicContact CZ-CD1 4.06Å; F8-L12 HydrophobicContact CZ-CD2 3.83Å; F8-L12 HydrophobicContact CZ-CG 4.14Å; F8-L12 VanDerWaalsContact O-CG 3.29Å; F8-L12 WeakPolarHBondContact O-CG 3.41Å; F8-L12 PolarHBondContact O-N 2.62Å; L9-L12 HydrophobicContact CD2-CD1 4.38Å; L9-L12 WeakPolarHBondContact O-CB 3.23Å; L9-L12 PolarHBondContact O-N 3.36Å; A10-L12 PolarHBondContact O-N 3.36Å; L12-D14 VanDerWaalsContact C-N 3.26Å; L12-D14 PolarHBondContact O-N 3.37Å; L12-V15 PolarHBondContact O-N 2.78Å; L12-L16 WeakPolarHBondContact O-CB 3.36Å; L12-L16 WeakPolarHBondContact O-CG 3.26Å; L12-L16 PolarHBondContact O-N 2.98Å; L12-F27 HydrophobicContact CB-CE2 4.42Å; L12-F27 HydrophobicContact CD1-CE2 3.91Å; L12-F27 HydrophobicContact CD2-CD2 3.42Å; L12-F27 VanDerWaalsContact CD2-CD2 3.42Å; L12-F27 HydrophobicContact CD2-CE2 3.32Å; L12-F27 HydrophobicContact CG-CE2 4.04Å
13D61.2Low57.2Low59 Ų5987.8 Ų87.832%0.31645%0.449SS..Hα-helixtrans-60.3-38.3176.2-78.7-19.7000110.8L9 A10 L16 N17 R52L9-D13 PolarHBondContact O-N 3.28Å; A10-D13 PolarHBondContact O-N 3.37Å; D13-L16 PolarHBondContact O-N 2.69Å; D13-N17 WeakPolarHBondContact O-CB 3.39Å; D13-N17 PolarHBondContact O-N 2.92Å; D13-N17 PolarHBondContact O-ND2 3.34Å; D13-R52 IonicContact OD1-CZ 2.74Å; D13-R52 IonicContact OD1-NH1 3.14Å; D13-R52 PolarHBondContact OD1-NH1 3.48Å; D13-R52 IonicContact OD1-NH2 2.64Å
14D64.2Low58Low120 Ų12083.2 Ų83.264%0.64242%0.421SS*.Hα-helixtrans-64.6-40.4175-74.8-18.8000112.5A10 V11 L12 A18A10-D14 PolarHBondContact O-N 3.07Å; V11-D14 PolarHBondContact O-N 2.86Å; L12-D14 VanDerWaalsContact C-N 3.26Å; L12-D14 PolarHBondContact O-N 3.37Å; D14-A18 WeakPolarHBondContact O-CB 3.42Å; D14-A18 PolarHBondContact O-N 3.14Å; D14-A18 VanDerWaalsContact O-N 3.15Å
15V59.4Low58.8Low45 Ų4582.2 Ų82.227%0.27341%0.408SS..Hα-helixtrans-70.9-37.7178.1171.20000111.9V11 L12 F27V11-V15 HydrophobicContact CG1-CG2 4.49Å; V11-V15 VanDerWaalsContact O-CG2 3.28Å; V11-V15 WeakPolarHBondContact O-CG2 3.35Å; V11-V15 PolarHBondContact O-N 3.46Å; L12-V15 PolarHBondContact O-N 2.78Å; V15-F27 HydrophobicContact CG1-CB 4.46Å
16L58.2Low59.8Low45 Ų4582.7 Ų82.724%0.23642%0.415CS..Hα-helixtrans-75.6-36.2-179.4-66.4170.9000112.5L12 D13 A18 F27 A56L12-L16 WeakPolarHBondContact O-CB 3.36Å; L12-L16 WeakPolarHBondContact O-CG 3.26Å; L12-L16 PolarHBondContact O-N 2.98Å; D13-L16 PolarHBondContact O-N 2.69Å; L16-A18 VanDerWaalsContact C-N 3.35Å; L16-F27 HydrophobicContact CD2-CE1 4.41Å; L16-F27 HydrophobicContact CD2-CZ 4.4Å; L16-A56 VanDerWaalsContact CD2-CA 3.46Å; L16-A56 HydrophobicContact CD2-CB 3.14Å
17N60.4Low60.8Low131 Ų13179.5 Ų79.570%0.70140%0.397SS*.Hα-helixtrans-81.3-15.1177.9-69.8-39.1000113.1D13 E19D13-N17 WeakPolarHBondContact O-CB 3.39Å; D13-N17 PolarHBondContact O-N 2.92Å; D13-N17 PolarHBondContact O-ND2 3.34Å; N17-E19 PolarHBondContact O-N 3.04Å
18A53.1Low61.7Low38 Ų3875 Ų7531%0.31437%0.374SS..SBendtrans-63.5126.5172.200000109.3D14 L16 D20D14-A18 WeakPolarHBondContact O-CB 3.42Å; D14-A18 PolarHBondContact O-N 3.14Å; D14-A18 VanDerWaalsContact O-N 3.15Å; L16-A18 VanDerWaalsContact C-N 3.35Å; A18-D20 PolarHBondContact O-N 2.92Å
19E52.5Low62.6Low200 Ų20077 Ų7794%0.93538%0.384SS*.SBendtrans-53.3-19.6170.5-68.2-177.115800112N17 R21N17-E19 PolarHBondContact O-N 3.04Å; E19-R21 PolarHBondContact O-N 3.4Å
20D53.6Low63.8Low58 Ų5878.2 Ų78.231%0.3139%0.393SS..  trans-89.382.5-173.9-156.5-6.7000113A18 R22A18-D20 PolarHBondContact O-N 2.92Å; D20-R22 VanDerWaalsContact CG-NE 3.25Å; D20-R22 PolarHBondContact O-N 3.42Å; D20-R22 WeakPolarHBondContact OD1-CD 3.49Å; D20-R22 WeakPolarHBondContact OD1-CG 3.35Å; D20-R22 IonicContact OD1-CZ 3.84Å; D20-R22 IonicContact OD1-NE 3.91Å; D20-R22 PolarHBondContact OD1-NE 3.36Å; D20-R22 IonicContact OD1-NH2 3.02Å; D20-R22 IonicContact OD2-CZ 2.73Å; D20-R22 IonicContact OD2-NE 3.72Å; D20-R22 PolarHBondContact OD2-NE 2.82Å; D20-R22 IonicContact OD2-NH2 2.71Å; D20-R22 PolarHBondContact OD2-NH2 3.14Å
21R58.7Low64.7Low126 Ų12676 Ų7648%0.47537%0.374SS..G310 helixtrans-62.62.9179.8-64.3-178.1174.8-173.3-2.9115E19 Y23 L24 D58E19-R21 PolarHBondContact O-N 3.4Å; R21-Y23 PolarHBondContact O-N 3.24Å; R21-L24 WeakPolarHBondContact O-CB 3.25Å; R21-L24 PolarHBondContact O-N 2.95Å; R21-D58 IonicContact CZ-OD2 3.49Å; R21-D58 IonicContact NH1-OD2 3.81Å; R21-D58 IonicContact NH2-OD2 3.25Å; R21-D58 PolarHBondContact NH2-OD2 3.42Å
22R61.4Low65.6Low178 Ų17872.3 Ų72.367%0.67235%0.352SS*.G310 helixtrans-58.2-27.2179.2-73.2-173.2-69.3-178.8-1.8114.1D20 P25D20-R22 VanDerWaalsContact CG-NE 3.25Å; D20-R22 PolarHBondContact O-N 3.42Å; D20-R22 WeakPolarHBondContact OD1-CD 3.49Å; D20-R22 WeakPolarHBondContact OD1-CG 3.35Å; D20-R22 IonicContact OD1-CZ 3.84Å; D20-R22 IonicContact OD1-NE 3.91Å; D20-R22 PolarHBondContact OD1-NE 3.36Å; D20-R22 IonicContact OD1-NH2 3.02Å; D20-R22 IonicContact OD2-CZ 2.73Å; D20-R22 IonicContact OD2-NE 3.72Å; D20-R22 PolarHBondContact OD2-NE 2.82Å; D20-R22 IonicContact OD2-NH2 2.71Å; D20-R22 PolarHBondContact OD2-NH2 3.14Å; R22-P25 WeakPolarHBondContact O-CD 3.37Å
23Y63.6Low66.8Low133 Ų13376.9 Ų76.952%0.52237%0.373SS..G310 helixtrans-88.8-6.8-178.4-61.8-73.5000114.2R21 P25 H26 F27R21-Y23 PolarHBondContact O-N 3.24Å; Y23-P25 VanDerWaalsContact C-CD 3.43Å; Y23-H26 PolarHBondContact O-N 3.12Å; Y23-H26 VanDerWaalsContact O-N 3.17Å; Y23-F27 PolarHBondContact O-N 3.16Å
24L67.7Low67.8Low10 Ų1076.6 Ų76.65%0.05237%0.371CS..Hα-helixtrans-58.3-39.5-176.5-17264.1000114.8R21 H26 F27 L28 A56 L191 L194R21-L24 WeakPolarHBondContact O-CB 3.25Å; R21-L24 PolarHBondContact O-N 2.95Å; L24-H26 PolarHBondContact O-N 3.31Å; L24-F27 HydrophobicContact CD1-CD1 3.81Å; L24-F27 HydrophobicContact CD1-CE1 4.47Å; L24-F27 WeakPolarHBondContact O-CB 3.44Å; L24-F27 PolarHBondContact O-N 3.1Å; L24-L28 WeakPolarHBondContact O-CG 3.48Å; L24-L28 PolarHBondContact O-N 2.99Å; L24-A56 HydrophobicContact CD1-CB 3.56Å; L24-L191 HydrophobicContact CD2-CB 3.95Å; L24-L191 HydrophobicContact CD2-CD1 3.59Å; L24-L191 HydrophobicContact CD2-CD2 3.91Å; L24-L191 HydrophobicContact CD2-CG 4Å; L24-L194 HydrophobicContact CB-CD1 4.05Å; L24-L194 HydrophobicContact CD2-CD1 3.43Å; L24-L194 VanDerWaalsContact CD2-CD1 3.43Å; L24-L194 HydrophobicContact CG-CD1 3.62Å
25P68.1Low68.7Low46 Ų4671 Ų7130%0.29934%0.341SS..Hα-helixtrans-60.8-44.8175.3-15.324.7000112.2R22 Y23 F27 L28 E29 L194R22-P25 WeakPolarHBondContact O-CD 3.37Å; Y23-P25 VanDerWaalsContact C-CD 3.43Å; P25-F27 VanDerWaalsContact C-N 3.33Å; P25-F27 PolarHBondContact O-N 3.44Å; P25-L28 PolarHBondContact O-N 3.47Å; P25-E29 WeakPolarHBondContact O-CG 3.13Å; P25-E29 PolarHBondContact O-N 3.01Å; P25-L194 HydrophobicContact CB-CD2 4.19Å; P25-L194 HydrophobicContact CG-CD2 3.75Å
26H70.4Confident69.8Low116 Ų11674.5 Ų74.554%0.53735%0.35SS..Hα-helixtrans-65.5-37.8178-61.486.1000111.3Y23 L24 E29 V30Y23-H26 PolarHBondContact O-N 3.12Å; Y23-H26 VanDerWaalsContact O-N 3.17Å; L24-H26 PolarHBondContact O-N 3.31Å; H26-E29 PolarHBondContact O-N 3.39Å; H26-V30 VanDerWaalsContact O-CG2 3.29Å; H26-V30 WeakPolarHBondContact O-CG2 3.25Å; H26-V30 PolarHBondContact O-N 3.48Å
27F75Confident70.9Confident10 Ų1076.3 Ų76.34%0.04437%0.366CS..Hα-helixtrans-58.6-48.3172.7164.7-99.6000111.4L12 V15 L16 Y23 L24 P25 E29 V30 C31 R52 M53 A56L12-F27 HydrophobicContact CB-CE2 4.42Å; L12-F27 HydrophobicContact CD1-CE2 3.91Å; L12-F27 HydrophobicContact CD2-CD2 3.42Å; L12-F27 VanDerWaalsContact CD2-CD2 3.42Å; L12-F27 HydrophobicContact CD2-CE2 3.32Å; L12-F27 HydrophobicContact CG-CE2 4.04Å; V15-F27 HydrophobicContact CG1-CB 4.46Å; L16-F27 HydrophobicContact CD2-CE1 4.41Å; L16-F27 HydrophobicContact CD2-CZ 4.4Å; Y23-F27 PolarHBondContact O-N 3.16Å; L24-F27 HydrophobicContact CD1-CD1 3.81Å; L24-F27 HydrophobicContact CD1-CE1 4.47Å; L24-F27 WeakPolarHBondContact O-CB 3.44Å; L24-F27 PolarHBondContact O-N 3.1Å; P25-F27 VanDerWaalsContact C-N 3.33Å; P25-F27 PolarHBondContact O-N 3.44Å; F27-E29 VanDerWaalsContact C-N 3.35Å; F27-E29 PolarHBondContact O-N 3.39Å; F27-V30 PolarHBondContact O-N 3.24Å; F27-C31 VanDerWaalsContact CE2-SG 3.54Å; F27-C31 WeakPolarHBondContact CZ-SG 3.39Å; F27-C31 PolarHBondContact O-N 3.07Å; F27-C31 PolarHBondContact O-SG 2.97Å; F27-C31 VanDerWaalsContact O-SG 3.38Å; F27-R52 HydrophobicContact CZ-CB 4.39Å; F27-M53 HydrophobicContact CE1-CG 4.32Å; F27-A56 HydrophobicContact CD1-CB 4Å; F27-A56 HydrophobicContact CE1-CB 3.41Å; F27-A56 VanDerWaalsContact CE1-CB 3.41Å; F27-A56 HydrophobicContact CZ-CB 4.15Å
28L76.1Confident71.7Confident6 Ų671 Ų713%0.03134%0.337CS..Hα-helixtrans-62.6-41.1178.3-67.7172.1000111.6L24 P25 V30 C31 V32 M53 L194L24-L28 WeakPolarHBondContact O-CG 3.48Å; L24-L28 PolarHBondContact O-N 2.99Å; P25-L28 PolarHBondContact O-N 3.47Å; L28-V30 PolarHBondContact O-N 2.94Å; L28-C31 WeakPolarHBondContact O-CB 3.32Å; L28-C31 PolarHBondContact O-N 3.23Å; L28-V32 VanDerWaalsContact O-CG2 3.26Å; L28-V32 WeakPolarHBondContact O-CG2 3.35Å; L28-V32 PolarHBondContact O-N 2.93Å; L28-M53 HydrophobicContact CD2-CB 4.37Å; L28-M53 HydrophobicContact CD2-CE 3.76Å; L28-M53 HydrophobicContact CD2-CG 4.09Å; L28-L194 HydrophobicContact CD1-CB 3.48Å; L28-L194 VanDerWaalsContact CD1-CB 3.48Å; L28-L194 HydrophobicContact CD1-CD1 4.15Å; L28-L194 HydrophobicContact CD1-CG 4.48Å
29E76.2Confident72.3Confident109 Ų10974.9 Ų74.951%0.50936%0.36SS..Hα-helixtrans-59.5-44174.3-73.3177.6177.900112.4P25 H26 F27 V32 E33P25-E29 WeakPolarHBondContact O-CG 3.13Å; P25-E29 PolarHBondContact O-N 3.01Å; H26-E29 PolarHBondContact O-N 3.39Å; F27-E29 VanDerWaalsContact C-N 3.35Å; F27-E29 PolarHBondContact O-N 3.39Å; E29-V32 PolarHBondContact O-N 3.32Å; E29-E33 PolarHBondContact O-N 3.12Å
30V78.3Confident72.9Confident70 Ų7067.9 Ų67.942%0.42433%0.333SS..Hα-helixtrans-65.5-39.9176.5174.30000111.3F8 H26 F27 L28 V32 E33 L34F8-V30 HydrophobicContact CE2-CG1 3.68Å; F8-V30 HydrophobicContact CZ-CG1 3.73Å; H26-V30 VanDerWaalsContact O-CG2 3.29Å; H26-V30 WeakPolarHBondContact O-CG2 3.25Å; H26-V30 PolarHBondContact O-N 3.48Å; F27-V30 PolarHBondContact O-N 3.24Å; L28-V30 PolarHBondContact O-N 2.94Å; V30-V32 VanDerWaalsContact C-N 3.34Å; V30-V32 PolarHBondContact O-N 3.4Å; V30-E33 PolarHBondContact O-N 3.06Å; V30-L34 WeakPolarHBondContact O-CB 3.42Å; V30-L34 PolarHBondContact O-N 3.29Å
31C81.9Confident73.1Confident1 Ų166.3 Ų66.31%0.00733%0.325CS..Hα-helixtrans-60.7-42.3173.4-73.50000111.9F27 L28 L34 L35 T49 M53F27-C31 VanDerWaalsContact CE2-SG 3.54Å; F27-C31 WeakPolarHBondContact CZ-SG 3.39Å; F27-C31 PolarHBondContact O-N 3.07Å; F27-C31 PolarHBondContact O-SG 2.97Å; F27-C31 VanDerWaalsContact O-SG 3.38Å; L28-C31 WeakPolarHBondContact O-CB 3.32Å; L28-C31 PolarHBondContact O-N 3.23Å; C31-L34 PolarHBondContact O-N 3.45Å; C31-L35 WeakPolarHBondContact O-CB 3.49Å; C31-L35 WeakPolarHBondContact O-CD1 3.27Å; C31-L35 WeakPolarHBondContact O-CG 3.38Å; C31-L35 PolarHBondContact O-N 2.74Å; C31-T49 HydrophobicContact CB-CG2 3.77Å; C31-M53 HydrophobicContact CB-CG 3.91Å; C31-M53 HydrophobicContact CB-SD 3.77Å
32V82.3Confident73.2Confident5 Ų564.2 Ų64.23%0.0332%0.321CS..Hα-helixtrans-62.3-45.7177171.50000111.2L28 E29 V30 L35 R36 C199 V202L28-V32 VanDerWaalsContact O-CG2 3.26Å; L28-V32 WeakPolarHBondContact O-CG2 3.35Å; L28-V32 PolarHBondContact O-N 2.93Å; E29-V32 PolarHBondContact O-N 3.32Å; V30-V32 VanDerWaalsContact C-N 3.34Å; V30-V32 PolarHBondContact O-N 3.4Å; V32-L35 PolarHBondContact O-N 3.25Å; V32-R36 PolarHBondContact O-N 3.22Å; V32-R36 VanDerWaalsContact O-N 3.08Å; V32-C199 HydrophobicContact CG2-CB 3.62Å; V32-C199 WeakPolarHBondContact CG2-SG 3.28Å; V32-V202 HydrophobicContact CG1-CB 4.21Å; V32-V202 HydrophobicContact CG1-CG2 3.84Å
33E81.3Confident73.3Confident108 Ų10856.5 Ų56.551%0.50530%0.295SS..Hα-helixtrans-66-40178.4-168.858.2-156.500112E29 V30 L35 R36 S37E29-E33 PolarHBondContact O-N 3.12Å; V30-E33 PolarHBondContact O-N 3.06Å; E33-L35 PolarHBondContact O-N 3.32Å; E33-R36 PolarHBondContact O-N 3.45Å; E33-R36 IonicContact OE2-CZ 3.94Å; E33-R36 IonicContact OE2-NH1 3.98Å; E33-R36 PolarHBondContact OE2-NH1 3.43Å; E33-S37 PolarHBondContact O-N 2.98Å
34L81.5Confident73.7Confident53 Ų5358.9 Ų58.928%0.27730%0.303SS..Hα-helixtrans-59.3-46.6172.5179.862.2000110.9F8 V30 C31 R36 S37 L38 T49F8-L34 HydrophobicContact CE1-CD2 3.88Å; F8-L34 HydrophobicContact CZ-CD2 4.4Å; V30-L34 WeakPolarHBondContact O-CB 3.42Å; V30-L34 PolarHBondContact O-N 3.29Å; C31-L34 PolarHBondContact O-N 3.45Å; L34-R36 VanDerWaalsContact C-N 3.3Å; L34-R36 PolarHBondContact O-N 2.86Å; L34-S37 PolarHBondContact O-N 3.39Å; L34-S37 VanDerWaalsContact O-N 3.15Å; L34-S37 PolarHBondContact O-OG 2.92Å; L34-L38 WeakPolarHBondContact O-CG 3.11Å; L34-L38 PolarHBondContact O-N 3.27Å; L34-T49 HydrophobicContact CD2-CG2 4.23Å
35L82.9Confident74.1Confident2 Ų262 Ų621%0.0132%0.319CS..Hα-helixtrans-62.1-33.3179.7-74.4165.7000113.3C31 V32 E33 L38 A46 T49 F50 M53 V202 R206C31-L35 WeakPolarHBondContact O-CB 3.49Å; C31-L35 WeakPolarHBondContact O-CD1 3.27Å; C31-L35 WeakPolarHBondContact O-CG 3.38Å; C31-L35 PolarHBondContact O-N 2.74Å; V32-L35 PolarHBondContact O-N 3.25Å; E33-L35 PolarHBondContact O-N 3.32Å; L35-L38 HydrophobicContact CD2-CD1 4.49Å; L35-A46 HydrophobicContact CD2-CB 4.07Å; L35-T49 HydrophobicContact CD1-CG2 4.26Å; L35-T49 HydrophobicContact CD2-CG2 4.25Å; L35-T49 HydrophobicContact CG-CG2 3.98Å; L35-F50 HydrophobicContact CD1-CD1 3.94Å; L35-F50 HydrophobicContact CD1-CE1 3.31Å; L35-F50 HydrophobicContact CD1-CZ 3.78Å; L35-F50 HydrophobicContact CD2-CD1 4.47Å; L35-F50 HydrophobicContact CD2-CD2 4.42Å; L35-F50 HydrophobicContact CD2-CE1 3.97Å; L35-F50 HydrophobicContact CD2-CE2 3.9Å; L35-F50 HydrophobicContact CD2-CZ 3.65Å; L35-F50 HydrophobicContact CG-CE1 4.29Å; L35-F50 HydrophobicContact CG-CZ 4.35Å; L35-M53 HydrophobicContact CD1-SD 4.14Å; L35-V202 HydrophobicContact CB-CG1 3.93Å; L35-R206 PolarHBondContact O-NH1 3.33Å
36R82.1Confident74.6Confident120 Ų12059.9 Ų59.945%0.45331%0.305SS..Hα-helixtrans-66.2-42.5172.5-74.8-175.4-177.7140-10.1112.7V32 E33 L34 L38 D198 V202V32-R36 PolarHBondContact O-N 3.22Å; V32-R36 VanDerWaalsContact O-N 3.08Å; E33-R36 PolarHBondContact O-N 3.45Å; E33-R36 IonicContact OE2-CZ 3.94Å; E33-R36 IonicContact OE2-NH1 3.98Å; E33-R36 PolarHBondContact OE2-NH1 3.43Å; L34-R36 VanDerWaalsContact C-N 3.3Å; L34-R36 PolarHBondContact O-N 2.86Å; R36-L38 PolarHBondContact O-N 3.4Å; R36-D198 IonicContact CZ-OD1 3.34Å; R36-D198 IonicContact CZ-OD2 2.76Å; R36-D198 IonicContact NH1-OD2 3.43Å; R36-D198 IonicContact NH2-OD1 2.69Å; R36-D198 PolarHBondContact NH2-OD1 3.11Å; R36-D198 IonicContact NH2-OD2 3.62Å; R36-D198 PolarHBondContact NH2-OD2 3.14Å; R36-V202 HydrophobicContact CG-CG1 4.42Å; R36-V202 HydrophobicContact CG-CG2 3.89Å
37S80.8Confident75Confident82 Ų8256.3 Ų56.357%0.57329%0.289SS*.Hα-helixtrans-68.8-19.9-177.276.60000113.6E33 L34 P39E33-S37 PolarHBondContact O-N 2.98Å; L34-S37 PolarHBondContact O-N 3.39Å; L34-S37 VanDerWaalsContact O-N 3.15Å; L34-S37 PolarHBondContact O-OG 2.92Å; S37-P39 WeakPolarHBondContact O-CD 3.45Å
38L77.3Confident75.2Confident19 Ų1958.4 Ų58.410%0.09930%0.3CS..  trans-77.7119.7-176.6-70.8172.1000111.8L34 L35 R36 N45 A46 R206L34-L38 WeakPolarHBondContact O-CG 3.11Å; L34-L38 PolarHBondContact O-N 3.27Å; L35-L38 HydrophobicContact CD2-CD1 4.49Å; R36-L38 PolarHBondContact O-N 3.4Å; L38-N45 HydrophobicContact CD1-CB 4.02Å; L38-N45 HydrophobicContact CD2-CB 3.95Å; L38-A46 HydrophobicContact CD1-CB 4.05Å; L38-R206 PolarHBondContact O-NH1 3.5Å
39P66.3Low75.4Confident121 Ų12158.7 Ų58.779%0.78630%0.302SS*.SBendtrans-70.5-36.4-171.725.1-33.2000114.4S37S37-P39 WeakPolarHBondContact O-CD 3.45Å
40S64.4Low75.8Confident53 Ų5353.5 Ų53.537%0.37128%0.278SS..  trans-108.2143.8-179.466.80000112.8S43 R206S40-S43 PolarHBondContact O-OG 3.29Å; S40-R206 PolarHBondContact O-NH2 2.91Å
41P58.5Low76Confident24 Ų2453.3 Ų53.316%0.15627%0.274CS..THydrogen-bonded Turntrans-66.2-45.7175.128.1-35.5000111.9S43 K209P41-S43 PolarHBondContact O-N 2.82Å; P41-K209 HydrophobicContact CB-CB 3.53Å; P41-K209 HydrophobicContact CB-CD 4.38Å; P41-K209 HydrophobicContact CG-CB 3.74Å
42E60.6Low75.9Confident82 Ų8256.7 Ų56.738%0.38329%0.287SS..THydrogen-bonded Turntrans-73.617-179.1-62.6168.6177.800113.1R44 K212E42-R44 PolarHBondContact O-N 3.26Å; E42-K212 IonicContact OE1-NZ 2.92Å; E42-K212 IonicContact OE2-NZ 2.69Å
43S64.4Low75.8Confident17 Ų1756.4 Ų56.412%0.11929%0.285CS..  trans-71.6126.2176.252.40000109.4S40 P41 N45 A46 F47S40-S43 PolarHBondContact O-OG 3.29Å; P41-S43 PolarHBondContact O-N 2.82Å; S43-N45 PolarHBondContact O-N 3.14Å; S43-A46 WeakPolarHBondContact O-CB 3.37Å; S43-A46 PolarHBondContact O-N 3.4Å; S43-A46 WeakPolarHBondContact OG-CB 3.21Å; S43-F47 PolarHBondContact O-N 3.4Å
44R71.5Confident75.8Confident183 Ų18352.1 Ų52.169%0.69127%0.267SS*.Hα-helixtrans-45.6-32.4169.5-177.1174.9178.61661112.4E42 L48E42-R44 PolarHBondContact O-N 3.26Å; R44-L48 HydrophobicContact CG-CD1 4.1Å; R44-L48 HydrophobicContact CG-CG 4.47Å; R44-L48 WeakPolarHBondContact O-CB 3.5Å; R44-L48 VanDerWaalsContact O-CG 3.24Å; R44-L48 WeakPolarHBondContact O-CG 3.35Å; R44-L48 PolarHBondContact O-N 2.97Å
45N75.7Confident75.5Confident75 Ų7552.9 Ų52.940%0.40128%0.281SS..Hα-helixtrans-66.1-39.1176.1-63.5-11.1000113.1L38 S43 L48 T49L38-N45 HydrophobicContact CD1-CB 4.02Å; L38-N45 HydrophobicContact CD2-CB 3.95Å; S43-N45 PolarHBondContact O-N 3.14Å; N45-L48 PolarHBondContact O-N 3.14Å; N45-T49 WeakPolarHBondContact O-CB 3.27Å; N45-T49 PolarHBondContact O-N 3.01Å; N45-T49 PolarHBondContact O-OG1 3.14Å
46A78.1Confident74.9Confident1 Ų153.3 Ų53.31%0.00829%0.285CS..Hα-helixtrans-65.8-45177.400000111L35 L38 S43 T49 F50L35-A46 HydrophobicContact CD2-CB 4.07Å; L38-A46 HydrophobicContact CD1-CB 4.05Å; S43-A46 WeakPolarHBondContact O-CB 3.37Å; S43-A46 PolarHBondContact O-N 3.4Å; S43-A46 WeakPolarHBondContact OG-CB 3.21Å; A46-T49 WeakPolarHBondContact O-CB 3.3Å; A46-T49 PolarHBondContact O-N 3.25Å; A46-F50 WeakPolarHBondContact O-CD2 3.45Å; A46-F50 PolarHBondContact O-N 3.17Å
47F79Confident74.2Confident42 Ų4247.7 Ų47.718%0.18426%0.264CS..Hα-helixtrans-57.9-51.3173.5170.4-95.4000112S43 T49 F50 D51 Y220 P223S43-F47 PolarHBondContact O-N 3.4Å; F47-T49 PolarHBondContact O-N 3Å; F47-F50 PolarHBondContact O-N 3.2Å; F47-F50 VanDerWaalsContact O-N 3.16Å; F47-D51 VanDerWaalsContact O-CB 3.26Å; F47-D51 WeakPolarHBondContact O-CB 3.39Å; F47-D51 PolarHBondContact O-N 3.44Å; F47-Y220 HydrophobicContact CB-CD1 3.62Å; F47-Y220 HydrophobicContact CB-CE1 4.33Å; F47-Y220 AromaticContact CD2-CD1 3.99Å; F47-Y220 HydrophobicContact CD2-CD1 3.99Å; F47-Y220 AromaticContact CG-CD1 3.8Å; F47-Y220 HydrophobicContact CG-CD1 3.8Å; F47-Y220 HydrophobicContact CG-CE1 4.44Å; F47-P223 HydrophobicContact CD2-CG 3.73Å; F47-P223 HydrophobicContact CE2-CG 3.41Å; F47-P223 VanDerWaalsContact CE2-CG 3.41Å; F47-P223 HydrophobicContact CZ-CG 4.19Å
48L79Confident73.1Confident53 Ų5346.5 Ų46.528%0.27725%0.251SS..Hα-helixtrans-58.6-35.7177.1-72.4170000111.6R44 N45 R52R44-L48 HydrophobicContact CG-CD1 4.1Å; R44-L48 HydrophobicContact CG-CG 4.47Å; R44-L48 WeakPolarHBondContact O-CB 3.5Å; R44-L48 VanDerWaalsContact O-CG 3.24Å; R44-L48 WeakPolarHBondContact O-CG 3.35Å; R44-L48 PolarHBondContact O-N 2.97Å; N45-L48 PolarHBondContact O-N 3.14Å; L48-R52 WeakPolarHBondContact O-CB 3.2Å; L48-R52 WeakPolarHBondContact O-CG 3.46Å; L48-R52 PolarHBondContact O-N 3.25Å
49T81.6Confident71.9Confident12 Ų1247.7 Ų47.77%0.07426%0.256CS..Hα-helixtrans-67-47.6177-52.70000110.9C31 L34 L35 N45 A46 F47 R52 M53C31-T49 HydrophobicContact CB-CG2 3.77Å; L34-T49 HydrophobicContact CD2-CG2 4.23Å; L35-T49 HydrophobicContact CD1-CG2 4.26Å; L35-T49 HydrophobicContact CD2-CG2 4.25Å; L35-T49 HydrophobicContact CG-CG2 3.98Å; N45-T49 WeakPolarHBondContact O-CB 3.27Å; N45-T49 PolarHBondContact O-N 3.01Å; N45-T49 PolarHBondContact O-OG1 3.14Å; A46-T49 WeakPolarHBondContact O-CB 3.3Å; A46-T49 PolarHBondContact O-N 3.25Å; F47-T49 PolarHBondContact O-N 3Å; T49-R52 PolarHBondContact O-N 3.38Å; T49-M53 HydrophobicContact CG2-SD 4.47Å; T49-M53 VanDerWaalsContact O-CG 3.3Å; T49-M53 WeakPolarHBondContact O-CG 3.33Å; T49-M53 PolarHBondContact O-N 2.95Å
50F85.3Confident70.9Confident1 Ų148.6 Ų48.60%0.00425%0.25CS..Hα-helixtrans-65-41.5177.2-67.9-52.2000112.8L35 A46 F47 R52 M53 C54 M203 R206 P223 L224 L227L35-F50 HydrophobicContact CD1-CD1 3.94Å; L35-F50 HydrophobicContact CD1-CE1 3.31Å; L35-F50 HydrophobicContact CD1-CZ 3.78Å; L35-F50 HydrophobicContact CD2-CD1 4.47Å; L35-F50 HydrophobicContact CD2-CD2 4.42Å; L35-F50 HydrophobicContact CD2-CE1 3.97Å; L35-F50 HydrophobicContact CD2-CE2 3.9Å; L35-F50 HydrophobicContact CD2-CZ 3.65Å; L35-F50 HydrophobicContact CG-CE1 4.29Å; L35-F50 HydrophobicContact CG-CZ 4.35Å; A46-F50 WeakPolarHBondContact O-CD2 3.45Å; A46-F50 PolarHBondContact O-N 3.17Å; F47-F50 PolarHBondContact O-N 3.2Å; F47-F50 VanDerWaalsContact O-N 3.16Å; F50-R52 VanDerWaalsContact C-N 3.29Å; F50-R52 PolarHBondContact O-N 3.47Å; F50-M53 HydrophobicContact CD1-SD 4Å; F50-M53 WeakPolarHBondContact O-CB 3.24Å; F50-M53 PolarHBondContact O-N 3.01Å; F50-M53 VanDerWaalsContact O-N 3.15Å; F50-C54 PolarHBondContact O-N 3.27Å; F50-C54 PolarHBondContact O-SG 3.36Å; F50-M203 HydrophobicContact CE1-CG 4.18Å; F50-R206 HydrophobicContact CE2-CB 4.45Å; F50-R206 HydrophobicContact CZ-CB 4.05Å; F50-R206 HydrophobicContact CZ-CG 4.17Å; F50-P223 HydrophobicContact CB-CB 3.77Å; F50-L224 HydrophobicContact CD1-CD1 4.18Å; F50-L224 HydrophobicContact CD2-CB 4.13Å; F50-L224 HydrophobicContact CE1-CD1 3.7Å; F50-L224 HydrophobicContact CE2-CB 4.25Å; F50-L224 HydrophobicContact CE2-CD1 4.19Å; F50-L224 HydrophobicContact CE2-CD2 4.17Å; F50-L224 HydrophobicContact CE2-CG 4.45Å; F50-L224 HydrophobicContact CG-CB 4.37Å; F50-L224 HydrophobicContact CZ-CD1 3.71Å; F50-L224 HydrophobicContact CZ-CD2 4.27Å; F50-L224 HydrophobicContact CZ-CG 4.42Å; F50-L227 HydrophobicContact CB-CD1 4.06Å; F50-L227 HydrophobicContact CD1-CD1 3.57Å; F50-L227 HydrophobicContact CE1-CD1 4.44Å; F50-L227 HydrophobicContact CG-CD1 4.23Å
51D81.7Confident70Confident66 Ų6652 Ų5235%0.35327%0.265SS..Hα-helixtrans-58.1-42.4175.4-175.765000111.4F47 C54 A55 P223F47-D51 VanDerWaalsContact O-CB 3.26Å; F47-D51 WeakPolarHBondContact O-CB 3.39Å; F47-D51 PolarHBondContact O-N 3.44Å; D51-C54 WeakPolarHBondContact O-CB 3.34Å; D51-C54 PolarHBondContact O-N 2.94Å; D51-A55 PolarHBondContact O-N 3.04Å; D51-P223 HydrophobicContact CB-CB 4.45Å; D51-P223 HydrophobicContact CB-CG 4.25Å
52R78.6Confident69.3Low71 Ų7158.2 Ų58.227%0.26829%0.289SS..Hα-helixtrans-70.5-34.2174.6-65.8-60.8179.1150.58.2113.3D13 F27 L48 T49 F50 C54 A55 A56D13-R52 IonicContact OD1-CZ 2.74Å; D13-R52 IonicContact OD1-NH1 3.14Å; D13-R52 PolarHBondContact OD1-NH1 3.48Å; D13-R52 IonicContact OD1-NH2 2.64Å; F27-R52 HydrophobicContact CZ-CB 4.39Å; L48-R52 WeakPolarHBondContact O-CB 3.2Å; L48-R52 WeakPolarHBondContact O-CG 3.46Å; L48-R52 PolarHBondContact O-N 3.25Å; T49-R52 PolarHBondContact O-N 3.38Å; F50-R52 VanDerWaalsContact C-N 3.29Å; F50-R52 PolarHBondContact O-N 3.47Å; R52-C54 VanDerWaalsContact C-N 3.31Å; R52-A55 PolarHBondContact O-N 3.42Å; R52-A56 WeakPolarHBondContact O-CB 3.31Å; R52-A56 PolarHBondContact O-N 3.47Å
53M81.5Confident68.6Low0 Ų055.9 Ų55.90%029%0.287CS..Hα-helixtrans-62.4-39.8170-67.3169.873.100111.4F27 L28 C31 L35 T49 F50 A55 A56 I57 F195 L227F27-M53 HydrophobicContact CE1-CG 4.32Å; L28-M53 HydrophobicContact CD2-CB 4.37Å; L28-M53 HydrophobicContact CD2-CE 3.76Å; L28-M53 HydrophobicContact CD2-CG 4.09Å; C31-M53 HydrophobicContact CB-CG 3.91Å; C31-M53 HydrophobicContact CB-SD 3.77Å; L35-M53 HydrophobicContact CD1-SD 4.14Å; T49-M53 HydrophobicContact CG2-SD 4.47Å; T49-M53 VanDerWaalsContact O-CG 3.3Å; T49-M53 WeakPolarHBondContact O-CG 3.33Å; T49-M53 PolarHBondContact O-N 2.95Å; F50-M53 HydrophobicContact CD1-SD 4Å; F50-M53 WeakPolarHBondContact O-CB 3.24Å; F50-M53 PolarHBondContact O-N 3.01Å; F50-M53 VanDerWaalsContact O-N 3.15Å; M53-A55 VanDerWaalsContact C-N 3.33Å; M53-A56 PolarHBondContact O-N 2.9Å; M53-I57 WeakPolarHBondContact O-CG1 3.3Å; M53-I57 PolarHBondContact O-N 3.07Å; M53-F195 HydrophobicContact CE-CE1 4.23Å; M53-L227 HydrophobicContact CB-CD1 3.92Å; M53-L227 HydrophobicContact CB-CD2 3.82Å; M53-L227 HydrophobicContact CE-CD1 4.16Å; M53-L227 HydrophobicContact SD-CD1 4.16Å
54C80.6Confident68Low18 Ų1858 Ų5812%0.12230%0.296CS..Hα-helixtrans-64.4-35.6173.7-71.50000112.5F50 D51 R52 A56 M59 P223 L227F50-C54 PolarHBondContact O-N 3.27Å; F50-C54 PolarHBondContact O-SG 3.36Å; D51-C54 WeakPolarHBondContact O-CB 3.34Å; D51-C54 PolarHBondContact O-N 2.94Å; R52-C54 VanDerWaalsContact C-N 3.31Å; C54-A56 VanDerWaalsContact C-N 3.32Å; C54-M59 WeakPolarHBondContact O-CG 3.28Å; C54-P223 PolarHBondContact SG-O 3.09Å; C54-L227 VanDerWaalsContact SG-CG 3.58Å
55A74.8Confident67.1Low68 Ų6855.6 Ų55.656%0.56230%0.302SS*.Hα-helixtrans-72-28.4175.400000112.6D51 R52 M53D51-A55 PolarHBondContact O-N 3.04Å; R52-A55 PolarHBondContact O-N 3.42Å; M53-A55 VanDerWaalsContact C-N 3.33Å
56A70.4Confident66.8Low12 Ų1258.1 Ų58.110%0.09931%0.312CS..Hα-helixtrans-80-42.4-176.500000113.8L16 L24 F27 R52 M53 C54 D58L16-A56 VanDerWaalsContact CD2-CA 3.46Å; L16-A56 HydrophobicContact CD2-CB 3.14Å; L24-A56 HydrophobicContact CD1-CB 3.56Å; F27-A56 HydrophobicContact CD1-CB 4Å; F27-A56 HydrophobicContact CE1-CB 3.41Å; F27-A56 VanDerWaalsContact CE1-CB 3.41Å; F27-A56 HydrophobicContact CZ-CB 4.15Å; R52-A56 WeakPolarHBondContact O-CB 3.31Å; R52-A56 PolarHBondContact O-N 3.47Å; M53-A56 PolarHBondContact O-N 2.9Å; C54-A56 VanDerWaalsContact C-N 3.32Å; A56-D58 PolarHBondContact O-N 2.97Å
57I68Low66.7Low1 Ų158.9 Ų58.91%0.00532%0.315CS..THydrogen-bonded Turntrans-71.8121.3166.6-60.4171.4000103.6M53 M59 L191 F195 L227M53-I57 WeakPolarHBondContact O-CG1 3.3Å; M53-I57 PolarHBondContact O-N 3.07Å; I57-M59 HydrophobicContact CB-CG 4.4Å; I57-M59 HydrophobicContact CB-SD 4.07Å; I57-M59 HydrophobicContact CG2-CG 4.39Å; I57-M59 HydrophobicContact CG2-SD 3.61Å; I57-M59 VanDerWaalsContact O-CG 3.31Å; I57-M59 WeakPolarHBondContact O-CG 3.42Å; I57-M59 PolarHBondContact O-N 3.21Å; I57-L191 HydrophobicContact CG2-CB 4.27Å; I57-F195 HydrophobicContact CD1-CE1 3.74Å; I57-F195 HydrophobicContact CD1-CE2 3.75Å; I57-F195 HydrophobicContact CD1-CZ 3.13Å; I57-L227 HydrophobicContact CD1-CD2 3.79Å
58D58Low67.1Low57 Ų5762.5 Ų62.531%0.30533%0.33SS..THydrogen-bonded Turntrans-65.589.4178.4-155.2-1.7000107.9R21 A56 L191R21-D58 IonicContact CZ-OD2 3.49Å; R21-D58 IonicContact NH1-OD2 3.81Å; R21-D58 IonicContact NH2-OD2 3.25Å; R21-D58 PolarHBondContact NH2-OD2 3.42Å; A56-D58 PolarHBondContact O-N 2.97Å; D58-L191 HydrophobicContact CB-CD1 4.28Å
59M53.1Low67.6Low44 Ų4460 Ų6022%0.21732%0.317CS..  trans-84.1-25.1-176.1-61.6-67.6-88.900111C54 I57 D61 E226 C230C54-M59 WeakPolarHBondContact O-CG 3.28Å; I57-M59 HydrophobicContact CB-CG 4.4Å; I57-M59 HydrophobicContact CB-SD 4.07Å; I57-M59 HydrophobicContact CG2-CG 4.39Å; I57-M59 HydrophobicContact CG2-SD 3.61Å; I57-M59 VanDerWaalsContact O-CG 3.31Å; I57-M59 WeakPolarHBondContact O-CG 3.42Å; I57-M59 PolarHBondContact O-N 3.21Å; M59-D61 VanDerWaalsContact C-N 3.27Å; M59-D61 PolarHBondContact O-N 3.49Å; M59-E226 HydrophobicContact CE-CB 4.36Å; M59-E226 HydrophobicContact CE-CG 3.46Å; M59-E226 VanDerWaalsContact CE-CG 3.46Å; M59-E226 WeakPolarHBondContact CE-O 3.2Å; M59-E226 WeakPolarHBondContact CE-OE1 3.33Å; M59-C230 HydrophobicContact CE-CB 3.6Å; M59-C230 WeakPolarHBondContact CE-SG 3.4Å; M59-C230 HydrophobicContact SD-CB 3.57Å; M59-C230 VanDerWaalsContact SD-CB 3.57Å; M59-C230 PolarHBondContact SD-SG 3.19Å
60E45Very low67.9Low141 Ų14161.1 Ų61.166%0.65932%0.323SS*.SBendtrans-68.897.1162.9-69.5-176.4176.800105.9K62E60-K62 HydrophobicContact CB-CG 4.11Å; E60-K62 PolarHBondContact O-N 3.47Å
61D45.6Very low68Low125 Ų12561.6 Ų61.667%0.66833%0.326SS*.  trans-47.786.5139-144.8-12.6000103.2M59 G63 K144M59-D61 VanDerWaalsContact C-N 3.27Å; M59-D61 PolarHBondContact O-N 3.49Å; D61-G63 PolarHBondContact O-N 2.87Å; D61-K144 IonicContact OD1-NZ 2.92Å; D61-K144 PolarHBondContact OD1-NZ 3.17Å; D61-K144 IonicContact OD2-NZ 2.93Å; D61-K144 PolarHBondContact OD2-NZ 3.47Å
62K43.5Very low68.2Low153 Ų15362.8 Ų62.867%0.66533%0.329SS*.  trans-64.179.4169.9-75.7-174.5-176.7177.50102.8E60 L64E60-K62 HydrophobicContact CB-CG 4.11Å; E60-K62 PolarHBondContact O-N 3.47Å; K62-L64 PolarHBondContact O-N 3.22Å
63G46.1Very low68.5Low33 Ų3360.5 Ų60.534%0.3432%0.321SS..  trans-46.9141.3168.100000104.3D61 T65D61-G63 PolarHBondContact O-N 2.87Å; G63-T65 WeakPolarHBondContact O-CG2 3.44Å; G63-T65 PolarHBondContact O-N 3.09Å
64L50.8Low68.6Low61 Ų6161.5 Ų61.532%0.31933%0.326SS..  trans-57.287.1166.3-65134.9000105K62 E66 F143 Y148 V153K62-L64 PolarHBondContact O-N 3.22Å; L64-E66 PolarHBondContact O-N 3Å; L64-F143 HydrophobicContact CB-CD1 4.46Å; L64-F143 HydrophobicContact CB-CE1 3.98Å; L64-F143 HydrophobicContact CD1-CD1 4.35Å; L64-F143 HydrophobicContact CD1-CE1 3.84Å; L64-F143 HydrophobicContact CG-CE1 4.34Å; L64-Y148 HydrophobicContact CD1-CD2 3.47Å; L64-Y148 VanDerWaalsContact CD1-CD2 3.47Å; L64-Y148 HydrophobicContact CD1-CE2 3.45Å; L64-Y148 VanDerWaalsContact CD1-CE2 3.45Å; L64-Y148 HydrophobicContact CD1-CG 4.06Å; L64-Y148 HydrophobicContact CD2-CD2 4.43Å; L64-Y148 HydrophobicContact CD2-CE2 3.84Å; L64-Y148 HydrophobicContact CG-CE2 4.29Å; L64-V153 HydrophobicContact CD2-CG1 3.65Å
65T53.8Low68.4Low133 Ų13363.6 Ų63.682%0.81634%0.34SS*.  trans-69.8-24.4-164.736.20000109.7G63G63-T65 WeakPolarHBondContact O-CG2 3.44Å; G63-T65 PolarHBondContact O-N 3.09Å
66E68.3Low68.4Low128 Ų12862.8 Ų62.860%0.59833%0.333SS*.SBendtrans-130.2121.7171.4-160.5176.3-175.800109.8L64 S91 S92L64-E66 PolarHBondContact O-N 3Å; E66-S91 WeakPolarHBondContact CG-OG 3.13Å; E66-S91 PolarHBondContact OE1-OG 3.44Å; E66-S92 WeakPolarHBondContact CA-OG 3.44Å
67F76.9Confident68.7Low17 Ų1762.4 Ų62.48%0.07533%0.329CS..  trans-131.6160.4167.957.3-89000109.1V69 S92 V139 A140 F143 M156F67-V69 HydrophobicContact CD2-CG2 3.87Å; F67-V69 HydrophobicContact CE2-CG2 3.66Å; F67-S92 PolarHBondContact N-OG 3.34Å; F67-S92 VanDerWaalsContact O-CB 3.24Å; F67-S92 WeakPolarHBondContact O-CB 3.47Å; F67-S92 PolarHBondContact O-N 3.1Å; F67-S92 PolarHBondContact O-OG 3.13Å; F67-V139 HydrophobicContact CE2-CG1 3.97Å; F67-V139 HydrophobicContact CZ-CG1 3.94Å; F67-A140 HydrophobicContact CE1-CB 4.27Å; F67-F143 HydrophobicContact CB-CD1 3.97Å; F67-F143 HydrophobicContact CB-CD2 4.2Å; F67-F143 HydrophobicContact CB-CE1 3.55Å; F67-F143 HydrophobicContact CB-CE2 3.8Å; F67-F143 HydrophobicContact CB-CG 4.27Å; F67-F143 HydrophobicContact CB-CZ 3.47Å; F67-F143 VanDerWaalsContact CB-CZ 3.47Å; F67-F143 HydrophobicContact CD1-CB 4.31Å; F67-F143 AromaticContact CD1-CD1 3.6Å; F67-F143 HydrophobicContact CD1-CD1 3.6Å; F67-F143 HydrophobicContact CD1-CE1 4Å; F67-F143 AromaticContact CD1-CG 3.9Å; F67-F143 HydrophobicContact CD1-CG 3.9Å; F67-F143 HydrophobicContact CD2-CB 4.02Å; F67-F143 HydrophobicContact CD2-CD1 4.09Å; F67-F143 AromaticContact CD2-CD2 3.56Å; F67-F143 HydrophobicContact CD2-CD2 3.56Å; F67-F143 HydrophobicContact CD2-CE1 4.45Å; F67-F143 AromaticContact CD2-CE2 3.96Å; F67-F143 HydrophobicContact CD2-CE2 3.96Å; F67-F143 AromaticContact CD2-CG 3.62Å; F67-F143 HydrophobicContact CD2-CG 3.62Å; F67-F143 HydrophobicContact CD2-CZ 4.4Å; F67-F143 HydrophobicContact CE1-CB 4Å; F67-F143 HydrophobicContact CE1-CD1 4.07Å; F67-F143 HydrophobicContact CE1-CG 4.11Å; F67-F143 HydrophobicContact CE2-CB 3.69Å; F67-F143 HydrophobicContact CE2-CD2 4.04Å; F67-F143 AromaticContact CE2-CG 3.84Å; F67-F143 HydrophobicContact CE2-CG 3.84Å; F67-F143 HydrophobicContact CG-CB 4.33Å; F67-F143 AromaticContact CG-CD1 3.61Å; F67-F143 HydrophobicContact CG-CD1 3.61Å; F67-F143 AromaticContact CG-CD2 3.86Å; F67-F143 HydrophobicContact CG-CD2 3.86Å; F67-F143 AromaticContact CG-CE1 3.76Å; F67-F143 HydrophobicContact CG-CE1 3.76Å; F67-F143 AromaticContact CG-CE2 3.99Å; F67-F143 HydrophobicContact CG-CE2 3.99Å; F67-F143 AromaticContact CG-CG 3.66Å; F67-F143 HydrophobicContact CG-CG 3.66Å; F67-F143 AromaticContact CG-CZ 3.96Å; F67-F143 HydrophobicContact CG-CZ 3.96Å; F67-F143 HydrophobicContact CZ-CB 3.68Å; F67-F143 HydrophobicContact CZ-CG 4.09Å; F67-M156 HydrophobicContact CE2-CE 3.99Å
68K86.7Confident68.9Low118 Ų11862.6 Ų62.651%0.51333%0.33SS..EExtended strand (participates in β ladder)trans-98.5144.3179.6-69.3-174.4-179-179.30110.5P89 Y90 P155 M156K68-P89 HydrophobicContact CB-CB 4.33Å; K68-P89 HydrophobicContact CD-CG 4.37Å; K68-Y90 CarbonylContact C-O 3.47Å; K68-Y90 VanDerWaalsContact CA-O 3.31Å; K68-Y90 WeakPolarHBondContact CA-O 3.36Å; K68-P155 HydrophobicContact CB-CB 3.91Å; K68-P155 HydrophobicContact CB-CG 4.18Å; K68-P155 CarbonylContact O-C 3.52Å; K68-P155 VanDerWaalsContact O-CA 3.29Å; K68-P155 WeakPolarHBondContact O-CA 2.98Å; K68-M156 PolarHBondContact O-N 3.28Å
69V88.6Confident69.5Low0 Ų061.8 Ų61.80%033%0.326CS..EExtended strand (participates in β ladder)trans-122.8125.7179.4-177.10000109.2F67 I71 P89 Y90 M97 M156 I158F67-V69 HydrophobicContact CD2-CG2 3.87Å; F67-V69 HydrophobicContact CE2-CG2 3.66Å; V69-I71 HydrophobicContact CG1-CG1 4.44Å; V69-P89 CarbonylContact O-C 3.57Å; V69-P89 WeakPolarHBondContact O-CA 3.32Å; V69-Y90 PolarHBondContact N-O 3.22Å; V69-Y90 PolarHBondContact O-N 2.94Å; V69-M97 HydrophobicContact CB-CE 3.64Å; V69-M97 HydrophobicContact CG1-CE 3.58Å; V69-M97 HydrophobicContact CG2-CE 4.32Å; V69-M156 CarbonylContact C-O 3.56Å; V69-M156 WeakPolarHBondContact CA-O 3.49Å; V69-M156 HydrophobicContact CG1-CE 4.42Å; V69-M156 HydrophobicContact CG2-CE 4.04Å; V69-I158 HydrophobicContact CG1-CD1 3.38Å; V69-I158 HydrophobicContact CG1-CG1 3.83Å
70N88.9Confident70.3Confident37 Ų3765.1 Ų65.120%0.19834%0.339CS..EExtended strand (participates in β ladder)trans-107.9126.1175.2-173.428000109.3E72 S88 M156 V157 I158N70-E72 PolarHBondContact ND2-OE1 2.93Å; N70-S88 VanDerWaalsContact OD1-CB 3.28Å; N70-S88 WeakPolarHBondContact OD1-CB 3.21Å; N70-S88 PolarHBondContact OD1-OG 2.62Å; N70-M156 PolarHBondContact N-O 3.44Å; N70-V157 HydrophobicContact CB-CG2 4.34Å; N70-V157 CarbonylContact O-C 3.59Å; N70-V157 WeakPolarHBondContact O-CA 3.44Å; N70-I158 PolarHBondContact O-N 3.13Å
71I88.3Confident71.6Confident11 Ų1158.4 Ų58.46%0.05631%0.308CS..EExtended strand (participates in β ladder)trans-104.7124179.8-58.9172.1000109.8V69 M85 S88 Y90 M97 I104 I108 I158 Y160V69-I71 HydrophobicContact CG1-CG1 4.44Å; I71-M85 HydrophobicContact CB-CG 4.19Å; I71-M85 HydrophobicContact CD1-CE 3.66Å; I71-M85 HydrophobicContact CG2-CG 3.84Å; I71-S88 PolarHBondContact N-OG 3.42Å; I71-S88 VanDerWaalsContact N-OG 3.13Å; I71-Y90 HydrophobicContact CD1-CD2 4.1Å; I71-Y90 HydrophobicContact CD1-CE2 3.95Å; I71-Y90 HydrophobicContact CG1-CD2 4.38Å; I71-Y90 HydrophobicContact CG1-CE2 4.37Å; I71-M97 HydrophobicContact CD1-CE 3.88Å; I71-M97 HydrophobicContact CD1-SD 4.04Å; I71-M97 HydrophobicContact CG1-CE 4.38Å; I71-I104 HydrophobicContact CD1-CG2 3.9Å; I71-I104 HydrophobicContact CG1-CG2 4.47Å; I71-I108 HydrophobicContact CD1-CD1 4.34Å; I71-I108 HydrophobicContact CD1-CG1 4.09Å; I71-I108 HydrophobicContact CG2-CD1 3.67Å; I71-I108 HydrophobicContact CG2-CG1 3.87Å; I71-I158 WeakPolarHBondContact CA-O 3.4Å; I71-Y160 HydrophobicContact CG2-CD1 3.64Å; I71-Y160 HydrophobicContact CG2-CE1 3.85Å
72E85.7Confident72.6Confident90 Ų9057.5 Ų57.542%0.42130%0.3SS..EExtended strand (participates in β ladder)trans-128.5151.1-177.3-63.1-172174.800111.8N70 V157 I158 V159 Y160N70-E72 PolarHBondContact ND2-OE1 2.93Å; E72-V157 HydrophobicContact CB-CG1 4.38Å; E72-V157 HydrophobicContact CG-CG1 4.05Å; E72-I158 PolarHBondContact N-O 3.42Å; E72-V159 CarbonylContact O-C 3.52Å; E72-V159 VanDerWaalsContact O-CA 3.28Å; E72-V159 WeakPolarHBondContact O-CA 3.25Å; E72-Y160 WeakPolarHBondContact O-CD1 3.44Å; E72-Y160 WeakPolarHBondContact O-CE1 3.48Å; E72-Y160 PolarHBondContact O-N 3.44Å
73K84.3Confident73.8Confident24 Ų2450.7 Ų50.710%0.10427%0.272CS..EExtended strand (participates in β ladder)trans-78.3147171.6-72.5175.6-176.9-179.20109.6P75 E78 L81 G83 Y160 G720K73-P75 VanDerWaalsContact O-CD 3.27Å; K73-P75 WeakPolarHBondContact O-CD 3.35Å; K73-E78 HydrophobicContact CB-CG 4.29Å; K73-L81 HydrophobicContact CB-CD1 4.38Å; K73-L81 HydrophobicContact CD-CB 4.1Å; K73-L81 WeakPolarHBondContact CE-O 3.29Å; K73-L81 HydrophobicContact CG-CB 4.45Å; K73-L81 HydrophobicContact CG-CD1 4.3Å; K73-L81 PolarHBondContact NZ-O 3.02Å; K73-G83 VanDerWaalsContact CE-O 3.24Å; K73-G83 WeakPolarHBondContact CE-O 3.46Å; K73-G83 PolarHBondContact NZ-O 3.4Å; K73-Y160 HydrophobicContact CB-CE1 4.42Å; K73-Y160 WeakPolarHBondContact CE-OH 3.18Å; K73-Y160 HydrophobicContact CG-CE1 3.67Å; K73-Y160 HydrophobicContact CG-CE2 4.04Å; K73-Y160 WeakPolarHBondContact CG-OH 3.19Å; K73-G720 PolarHBondContact NZ-O 3.34Å
74D84.1Confident74.7Confident21 Ų2153.4 Ų53.411%0.11227%0.272CS..  trans-59.6120.4166.4-175.1-28.6000109.9A76 Q77 E78 V159 Y160 R161D74-A76 PolarHBondContact O-N 3.38Å; D74-A76 WeakPolarHBondContact OD1-CB 3.38Å; D74-A76 PolarHBondContact OD1-N 3.41Å; D74-Q77 HydrophobicContact CB-CB 4.41Å; D74-Q77 CarbonylContact O-C 3.58Å; D74-Q77 PolarHBondContact O-N 3.29Å; D74-E78 PolarHBondContact O-N 2.88Å; D74-E78 VanDerWaalsContact O-N 3.16Å; D74-V159 HydrophobicContact CB-CG1 3.89Å; D74-Y160 PolarHBondContact N-O 3.05Å; D74-R161 HydrophobicContact CB-CB 3.67Å; D74-R161 WeakPolarHBondContact OD2-CD 3.46Å; D74-R161 IonicContact OD2-NH1 4Å
75P75.4Confident75.7Confident62 Ų6251.8 Ų51.840%0.40326%0.263SS..THydrogen-bonded Turntrans-53.7-28.6-179.8-28.136.2000114K73K73-P75 VanDerWaalsContact O-CD 3.27Å; K73-P75 WeakPolarHBondContact O-CD 3.35Å
76A75.7Confident76.4Confident51 Ų5149.3 Ų49.342%0.42125%0.252SS..THydrogen-bonded Turntrans-80.9-17.1179.600000113.2D74 L166D74-A76 PolarHBondContact O-N 3.38Å; D74-A76 WeakPolarHBondContact OD1-CB 3.38Å; D74-A76 PolarHBondContact OD1-N 3.41Å; A76-L166 HydrophobicContact CB-CD1 3.51Å
77Q75.7Confident76.4Confident3 Ų345.7 Ų45.71%0.01425%0.248CC..THydrogen-bonded Turntrans-115.79.7-179.3-59.1-170.113.900114.2D74 D79 F80 L81 M162 L166D74-Q77 HydrophobicContact CB-CB 4.41Å; D74-Q77 CarbonylContact O-C 3.58Å; D74-Q77 PolarHBondContact O-N 3.29Å; Q77-D79 PolarHBondContact O-N 3.05Å; Q77-D79 VanDerWaalsContact O-N 3.1Å; Q77-F80 HydrophobicContact CB-CD2 4.34Å; Q77-F80 PolarHBondContact O-N 3.24Å; Q77-L81 HydrophobicContact CB-CD1 4.1Å; Q77-L81 HydrophobicContact CB-CG 4.47Å; Q77-L81 PolarHBondContact O-N 3.14Å; Q77-L81 VanDerWaalsContact O-N 3.15Å; Q77-M162 PolarHBondContact NE2-O 3.2Å; Q77-M162 PolarHBondContact OE1-O 3.08Å; Q77-L166 HydrophobicContact CG-CD1 3.91Å; Q77-L166 HydrophobicContact CG-CG 4.26Å
78E73.3Confident76Confident6 Ų646.9 Ų46.93%0.02826%0.259CS..THydrogen-bonded Turntrans-53.9-32.2180-70.3-175.8157.100113.7K73 D74 S714 S716K73-E78 HydrophobicContact CB-CG 4.29Å; D74-E78 PolarHBondContact O-N 2.88Å; D74-E78 VanDerWaalsContact O-N 3.16Å; E78-S714 WeakPolarHBondContact OE1-CB 3.41Å; E78-S714 PolarHBondContact OE1-OG 3.41Å; E78-S716 PolarHBondContact OE1-OG 3.39Å; E78-S716 PolarHBondContact OE2-OG 2.96Å
79D68.6Low75.7Confident39 Ų3944.7 Ų44.721%0.20926%0.257CS..THydrogen-bonded Turntrans-69.1-32.2178.2-69.2-56.4000112.5Q77 Y623 G723 R724 G725 A726Q77-D79 PolarHBondContact O-N 3.05Å; Q77-D79 VanDerWaalsContact O-N 3.1Å; D79-Y623 PolarHBondContact O-OH 2.74Å; D79-G723 VanDerWaalsContact CG-CA 3.47Å; D79-G723 VanDerWaalsContact OD1-C 3.24Å; D79-G723 WeakPolarHBondContact OD1-CA 3.34Å; D79-G723 PolarHBondContact OD1-N 3.28Å; D79-R724 PolarHBondContact OD2-N 3.43Å; D79-G725 WeakPolarHBondContact OD2-CA 3.39Å; D79-G725 PolarHBondContact OD2-N 2.98Å; D79-A726 WeakPolarHBondContact OD1-CB 3.16Å; D79-A726 PolarHBondContact OD1-N 2.73Å; D79-A726 VanDerWaalsContact OD1-N 3.15Å
80F71.3Confident75.5Confident114 Ų11445.3 Ų45.350%0.526%0.259SS..THydrogen-bonded Turntrans-92-23.4-175.9-53.7-78.3000113.3Q77 M162 L165Q77-F80 HydrophobicContact CB-CD2 4.34Å; Q77-F80 PolarHBondContact O-N 3.24Å; F80-M162 HydrophobicContact CB-CE 3.71Å; F80-L165 HydrophobicContact CB-CD1 3.91Å; F80-L165 HydrophobicContact CD2-CD1 4.16Å; F80-L165 HydrophobicContact CG-CD1 3.98Å
81L72.3Confident75.3Confident0 Ų045 Ų450%026%0.26CS..  trans-93.5105.6-177.4-68.1169.6000110.8K73 Q77 Y160 M162K73-L81 HydrophobicContact CB-CD1 4.38Å; K73-L81 HydrophobicContact CD-CB 4.1Å; K73-L81 WeakPolarHBondContact CE-O 3.29Å; K73-L81 HydrophobicContact CG-CB 4.45Å; K73-L81 HydrophobicContact CG-CD1 4.3Å; K73-L81 PolarHBondContact NZ-O 3.02Å; Q77-L81 HydrophobicContact CB-CD1 4.1Å; Q77-L81 HydrophobicContact CB-CG 4.47Å; Q77-L81 PolarHBondContact O-N 3.14Å; Q77-L81 VanDerWaalsContact O-N 3.15Å; L81-Y160 HydrophobicContact CD1-CD2 4.13Å; L81-Y160 HydrophobicContact CD1-CE2 3.97Å; L81-Y160 HydrophobicContact CD2-CD2 4.47Å; L81-Y160 HydrophobicContact CD2-CE2 4.21Å; L81-Y160 HydrophobicContact CG-CE2 4.49Å; L81-M162 HydrophobicContact CD2-CE 3.95Å; L81-M162 HydrophobicContact CD2-CG 3.86Å; L81-M162 HydrophobicContact CG-CE 4.49Å
82Q66.5Low74.8Confident107 Ų10745.7 Ų45.750%0.527%0.266SS..  trans-79.6165.1173.3-64.4-177.4-4.200112A653Q82-A653 HydrophobicContact CG-CB 4.47Å
83G67.9Low74.3Confident9 Ų945.3 Ų45.39%0.09327%0.273CS..  trans83.3176.5176.400000114.5K73K73-G83 VanDerWaalsContact CE-O 3.24Å; K73-G83 WeakPolarHBondContact CE-O 3.46Å; K73-G83 PolarHBondContact NZ-O 3.4Å
84R66.1Low74.1Confident90 Ų9046.8 Ų46.834%0.3428%0.282SS..  trans-146.6148.7-177.869.5-176.3-174.2-167.3-1.4111.3S86 M649R84-S86 PolarHBondContact O-N 3.29Å; R84-M649 PolarHBondContact NH1-SD 2.94Å
85M71.8Confident73.8Confident27 Ų2751.1 Ų51.113%0.13331%0.311CS..  trans-87.1102.7168.8-65.9-54.4-73.100109.8I71 Y90 K107 I108 D111I71-M85 HydrophobicContact CB-CG 4.19Å; I71-M85 HydrophobicContact CD1-CE 3.66Å; I71-M85 HydrophobicContact CG2-CG 3.84Å; M85-Y90 HydrophobicContact CB-CE2 4.45Å; M85-Y90 HydrophobicContact CE-CE2 4.24Å; M85-K107 HydrophobicContact CE-CD 4.2Å; M85-K107 HydrophobicContact CE-CG 4.03Å; M85-I108 HydrophobicContact CE-CG1 3.99Å; M85-I108 HydrophobicContact SD-CB 4.24Å; M85-I108 HydrophobicContact SD-CG1 3.99Å; M85-I108 HydrophobicContact SD-CG2 4.45Å; M85-D111 HydrophobicContact CE-CB 4.21Å; M85-D111 HydrophobicContact SD-CB 3.71Å
86S67Low74Confident82 Ų8252.8 Ų52.857%0.57332%0.317SS*.THydrogen-bonded Turntrans-81.3118.6169.746.80000109.8R84 Y90R84-S86 PolarHBondContact O-N 3.29Å; S86-Y90 PolarHBondContact O-OH 3.28Å
87G68.2Low74.3Confident51 Ų5150.4 Ų50.453%0.52630%0.297SS..THydrogen-bonded Turntrans123.7-2.7174.700000116.5P89 Y90G87-P89 CarbonylContact O-C 3.55Å; G87-Y90 VanDerWaalsContact C-CZ 3.49Å; G87-Y90 PolarHBondContact N-OH 2.89Å
88S70.5Confident74.6Confident43 Ų4351 Ų5130%0.30130%0.304SS..PPolyproline II helixtrans-60.4135.8172-95.60000111.8N70 I71 Y90N70-S88 VanDerWaalsContact OD1-CB 3.28Å; N70-S88 WeakPolarHBondContact OD1-CB 3.21Å; N70-S88 PolarHBondContact OD1-OG 2.62Å; I71-S88 PolarHBondContact N-OG 3.42Å; I71-S88 VanDerWaalsContact N-OG 3.13Å; S88-Y90 WeakPolarHBondContact OG-CE2 3.41Å
89P79.4Confident75Confident71 Ų7155.2 Ų55.246%0.46133%0.332SS..SBendcis-81.2136.3-2.832.1-33.3000112.8K68 V69 G87K68-P89 HydrophobicContact CB-CB 4.33Å; K68-P89 HydrophobicContact CD-CG 4.37Å; V69-P89 CarbonylContact O-C 3.57Å; V69-P89 WeakPolarHBondContact O-CA 3.32Å; G87-P89 CarbonylContact O-C 3.55Å
90Y85.2Confident76Confident14 Ų1455 Ų556%0.05533%0.332CS..EExtended strand (participates in β ladder)trans-85.8150177.9-57.8-86.9000111.3K68 V69 I71 M85 S86 G87 S88 M97 K107K68-Y90 CarbonylContact C-O 3.47Å; K68-Y90 VanDerWaalsContact CA-O 3.31Å; K68-Y90 WeakPolarHBondContact CA-O 3.36Å; V69-Y90 PolarHBondContact N-O 3.22Å; V69-Y90 PolarHBondContact O-N 2.94Å; I71-Y90 HydrophobicContact CD1-CD2 4.1Å; I71-Y90 HydrophobicContact CD1-CE2 3.95Å; I71-Y90 HydrophobicContact CG1-CD2 4.38Å; I71-Y90 HydrophobicContact CG1-CE2 4.37Å; M85-Y90 HydrophobicContact CB-CE2 4.45Å; M85-Y90 HydrophobicContact CE-CE2 4.24Å; S86-Y90 PolarHBondContact O-OH 3.28Å; G87-Y90 VanDerWaalsContact C-CZ 3.49Å; G87-Y90 PolarHBondContact N-OH 2.89Å; S88-Y90 WeakPolarHBondContact OG-CE2 3.41Å; Y90-M97 HydrophobicContact CD1-CG 4.39Å; Y90-M97 HydrophobicContact CD1-SD 4.17Å; Y90-M97 HydrophobicContact CD2-CE 3.95Å; Y90-M97 HydrophobicContact CD2-SD 3.98Å; Y90-M97 HydrophobicContact CG-CE 3.96Å; Y90-M97 HydrophobicContact CG-CG 4.14Å; Y90-M97 HydrophobicContact CG-SD 3.71Å; Y90-K107 VanDerWaalsContact CE1-CE 3.47Å
91S83.9Confident76.8Confident29 Ų2949.5 Ų49.520%0.20331%0.308CS..EExtended strand (participates in β ladder)trans-83141.8170.7-1770000110.3E66 S93 D94E66-S91 WeakPolarHBondContact CG-OG 3.13Å; E66-S91 PolarHBondContact OE1-OG 3.44Å; S91-S93 PolarHBondContact O-N 3.24Å; S91-S93 VanDerWaalsContact O-N 3.16Å; S91-S93 PolarHBondContact OG-N 3.39Å; S91-S93 PolarHBondContact OG-OG 3.25Å; S91-S93 VanDerWaalsContact OG-OG 3.05Å; S91-D94 VanDerWaalsContact O-CB 3.25Å; S91-D94 WeakPolarHBondContact O-CB 3.48Å; S91-D94 PolarHBondContact O-N 3.41Å
92S77.8Confident77.6Confident27 Ų2752.4 Ų52.419%0.18932%0.319CS..THydrogen-bonded Turntrans-62.8-15.3173.364.70000113.2E66 F67 D94E66-S92 WeakPolarHBondContact CA-OG 3.44Å; F67-S92 PolarHBondContact N-OG 3.34Å; F67-S92 VanDerWaalsContact O-CB 3.24Å; F67-S92 WeakPolarHBondContact O-CB 3.47Å; F67-S92 PolarHBondContact O-N 3.1Å; F67-S92 PolarHBondContact O-OG 3.13Å; S92-D94 VanDerWaalsContact C-N 3.3Å
93S75.4Confident78.7Confident82 Ų8249.3 Ų49.357%0.57331%0.306SS*.THydrogen-bonded Turntrans-81.7-6174.268.80000113.8S91S91-S93 PolarHBondContact O-N 3.24Å; S91-S93 VanDerWaalsContact O-N 3.16Å; S91-S93 PolarHBondContact OG-N 3.39Å; S91-S93 PolarHBondContact OG-OG 3.25Å; S91-S93 VanDerWaalsContact OG-OG 3.05Å
94D80.9Confident79.7Confident54 Ų5448.9 Ų48.929%0.28930%0.302SS..SBendtrans-70125.8176.7-170.3-25.9000109.9S91 S92 D96 M97S91-D94 VanDerWaalsContact O-CB 3.25Å; S91-D94 WeakPolarHBondContact O-CB 3.48Å; S91-D94 PolarHBondContact O-N 3.41Å; S92-D94 VanDerWaalsContact C-N 3.3Å; D94-D96 PolarHBondContact O-N 3.45Å; D94-D96 VanDerWaalsContact O-N 3.11Å; D94-D96 PolarHBondContact OD1-N 3.41Å; D94-D96 VanDerWaalsContact OD1-N 3.17Å; D94-M97 HydrophobicContact CB-CB 4.09Å; D94-M97 HydrophobicContact CB-CG 3.88Å; D94-M97 PolarHBondContact O-N 3.04Å
95P77.8Confident80.8Confident112 Ų11244.9 Ų44.973%0.72729%0.286SS*.G310 helixtrans-54.7-28.1-179.9-25.532.8000114.9M97P95-M97 VanDerWaalsContact C-N 3.32Å
96D79.2Confident81.5Confident97 Ų9749.6 Ų49.652%0.51930%0.303SS..G310 helixtrans-85.8-4.7-179.5-67.3-28.4000113D94 K107D94-D96 PolarHBondContact O-N 3.45Å; D94-D96 VanDerWaalsContact O-N 3.11Å; D94-D96 PolarHBondContact OD1-N 3.41Å; D94-D96 VanDerWaalsContact OD1-N 3.17Å; D96-K107 HydrophobicContact CB-CD 3.85Å; D96-K107 HydrophobicContact CB-CG 4.26Å
97M81.7Confident82.5Confident1 Ų146.7 Ų46.71%0.00528%0.28CS..G310 helixtrans-106.515.7-175.3-67.5-68-58.800113.8V69 I71 Y90 D94 P95 I104 K107V69-M97 HydrophobicContact CB-CE 3.64Å; V69-M97 HydrophobicContact CG1-CE 3.58Å; V69-M97 HydrophobicContact CG2-CE 4.32Å; I71-M97 HydrophobicContact CD1-CE 3.88Å; I71-M97 HydrophobicContact CD1-SD 4.04Å; I71-M97 HydrophobicContact CG1-CE 4.38Å; Y90-M97 HydrophobicContact CD1-CG 4.39Å; Y90-M97 HydrophobicContact CD1-SD 4.17Å; Y90-M97 HydrophobicContact CD2-CE 3.95Å; Y90-M97 HydrophobicContact CD2-SD 3.98Å; Y90-M97 HydrophobicContact CG-CE 3.96Å; Y90-M97 HydrophobicContact CG-CG 4.14Å; Y90-M97 HydrophobicContact CG-SD 3.71Å; D94-M97 HydrophobicContact CB-CB 4.09Å; D94-M97 HydrophobicContact CB-CG 3.88Å; D94-M97 PolarHBondContact O-N 3.04Å; P95-M97 VanDerWaalsContact C-N 3.32Å; M97-I104 HydrophobicContact CE-CD1 4.24Å; M97-I104 HydrophobicContact CE-CG1 4.33Å; M97-K107 HydrophobicContact CG-CD 4.2Å; M97-K107 HydrophobicContact SD-CD 3.46Å; M97-K107 WeakPolarHBondContact SD-CD 3.47Å
98G80.7Confident83.3Confident16 Ų1644.3 Ų44.317%0.16526%0.255CS..  trans177.6-175.8178.500000111.6
99P83.5Confident84Confident94 Ų9442.2 Ų42.261%0.6124%0.241SC*.SBendcis-79.1-17.1829.9-34.5000114.8D103 E138 V139P99-D103 WeakPolarHBondContact CD-OD2 3.1Å; P99-E138 CarbonylContact O-C 3.51Å; P99-E138 VanDerWaalsContact O-CA 3.28Å; P99-E138 WeakPolarHBondContact O-CA 3.36Å; P99-V139 PolarHBondContact O-N 2.81Å
100T88.7Confident84.2Confident34 Ų3443.5 Ų43.521%0.20924%0.244CC..BIsolated β-bridgetrans-108.6157.5-174.566.40000113.2R102 D103 L137T100-R102 PolarHBondContact O-N 3.22Å; T100-R102 WeakPolarHBondContact OG1-CB 3.37Å; T100-D103 PolarHBondContact N-OD2 3.41Å; T100-D103 WeakPolarHBondContact O-CB 3.45Å; T100-D103 PolarHBondContact O-N 3.33Å; T100-D103 PolarHBondContact OG1-OD2 2.93Å; T100-L137 CarbonylContact C-O 3.49Å; T100-L137 WeakPolarHBondContact CA-O 3.45Å
101M88.4Confident84.1Confident0 Ų045.8 Ų45.80%026%0.257CS..Hα-helixtrans-59.8-25.2174.4-67.3-64.3-69.800112.3D103 I104 K105 L126 V128 I133 L137 V139 V142 I158M101-D103 VanDerWaalsContact C-N 3.31Å; M101-D103 PolarHBondContact O-N 2.64Å; M101-I104 PolarHBondContact O-N 3.27Å; M101-I104 HydrophobicContact SD-CD1 4.15Å; M101-K105 PolarHBondContact O-N 3.18Å; M101-L126 HydrophobicContact CB-CD1 4.36Å; M101-L126 HydrophobicContact CE-CB 4.07Å; M101-L126 HydrophobicContact CE-CD1 3.96Å; M101-L126 VanDerWaalsContact O-CD1 3.29Å; M101-L126 WeakPolarHBondContact O-CD1 3.4Å; M101-V128 HydrophobicContact CE-CG2 4.14Å; M101-I133 HydrophobicContact CE-CB 4.15Å; M101-I133 HydrophobicContact CE-CG2 4.1Å; M101-I133 HydrophobicContact CG-CG2 3.81Å; M101-I133 HydrophobicContact SD-CG2 4.47Å; M101-L137 HydrophobicContact CG-CB 4.47Å; M101-L137 WeakPolarHBondContact CG-O 3.49Å; M101-L137 PolarHBondContact N-O 3.01Å; M101-V139 HydrophobicContact SD-CB 4.49Å; M101-V139 HydrophobicContact SD-CG2 4Å; M101-V142 HydrophobicContact CG-CG2 4.01Å; M101-V142 HydrophobicContact SD-CB 4.42Å; M101-V142 HydrophobicContact SD-CG1 4.45Å; M101-V142 HydrophobicContact SD-CG2 4.16Å; M101-I158 HydrophobicContact CE-CD1 4Å; M101-I158 HydrophobicContact CE-CG2 4.31Å; M101-I158 HydrophobicContact SD-CD1 4.43Å
102R89.1Confident83.7Confident61 Ų6144.6 Ų44.623%0.2325%0.248CC..Hα-helixtrans-61.5-35.5170.7-172.6-176.4-68.9-103.84.6112.9T100 K105 R106 D121 L135 D136T100-R102 PolarHBondContact O-N 3.22Å; T100-R102 WeakPolarHBondContact OG1-CB 3.37Å; R102-K105 WeakPolarHBondContact O-CB 3.31Å; R102-K105 PolarHBondContact O-N 3.36Å; R102-R106 WeakPolarHBondContact O-CG 3.01Å; R102-R106 PolarHBondContact O-N 3.37Å; R102-D121 IonicContact CZ-OD1 3.78Å; R102-D121 IonicContact CZ-OD2 3.15Å; R102-D121 IonicContact NH1-OD1 3.07Å; R102-D121 PolarHBondContact NH1-OD1 3.21Å; R102-D121 IonicContact NH1-OD2 2.68Å; R102-D121 PolarHBondContact NH1-OD2 3.33Å; R102-D121 IonicContact NH2-OD2 3.23Å; R102-D121 PolarHBondContact NH2-OD2 3.02Å; R102-L135 HydrophobicContact CB-CB 4.08Å; R102-L135 WeakPolarHBondContact CB-O 3.5Å; R102-L135 PolarHBondContact N-O 3.5Å; R102-D136 IonicContact CZ-OD1 2.78Å; R102-D136 IonicContact NE-OD1 3.17Å; R102-D136 IonicContact NH2-OD1 3.22Å; R102-D136 PolarHBondContact NH2-OD1 3.21Å
103D88.9Confident83.6Confident42 Ų4250.6 Ų50.623%0.22527%0.273CS..Hα-helixtrans-69.4-42.8179.2-57-49.6000110.1P99 T100 M101 K105 R106 K107P99-D103 WeakPolarHBondContact CD-OD2 3.1Å; T100-D103 PolarHBondContact N-OD2 3.41Å; T100-D103 WeakPolarHBondContact O-CB 3.45Å; T100-D103 PolarHBondContact O-N 3.33Å; T100-D103 PolarHBondContact OG1-OD2 2.93Å; M101-D103 VanDerWaalsContact C-N 3.31Å; M101-D103 PolarHBondContact O-N 2.64Å; D103-K105 VanDerWaalsContact C-N 3.32Å; D103-K105 PolarHBondContact O-N 3.43Å; D103-R106 WeakPolarHBondContact O-CB 3.36Å; D103-R106 PolarHBondContact O-N 2.9Å; D103-R106 VanDerWaalsContact O-N 3.12Å; D103-K107 PolarHBondContact O-N 3.26Å
104I89.5Confident83.6Confident0 Ų048.1 Ų48.10%025%0.254CS..Hα-helixtrans-57.8-45171.5-61.7-175.7000110.8I71 M97 M101 R106 K107 I108 L126 V139 I158I71-I104 HydrophobicContact CD1-CG2 3.9Å; I71-I104 HydrophobicContact CG1-CG2 4.47Å; M97-I104 HydrophobicContact CE-CD1 4.24Å; M97-I104 HydrophobicContact CE-CG1 4.33Å; M101-I104 PolarHBondContact O-N 3.27Å; M101-I104 HydrophobicContact SD-CD1 4.15Å; I104-R106 PolarHBondContact O-N 2.99Å; I104-K107 WeakPolarHBondContact O-CB 3.38Å; I104-K107 PolarHBondContact O-N 3.23Å; I104-I108 HydrophobicContact CG2-CD1 3.99Å; I104-I108 VanDerWaalsContact O-CG1 3.31Å; I104-I108 WeakPolarHBondContact O-CG1 3.45Å; I104-I108 PolarHBondContact O-N 3.25Å; I104-L126 HydrophobicContact CB-CD1 4.47Å; I104-L126 HydrophobicContact CG2-CD1 4.37Å; I104-V139 HydrophobicContact CD1-CB 4.34Å; I104-V139 HydrophobicContact CD1-CG1 3.76Å; I104-V139 HydrophobicContact CD1-CG2 3.54Å; I104-V139 HydrophobicContact CG1-CG2 4.05Å; I104-I158 HydrophobicContact CD1-CD1 3.43Å; I104-I158 VanDerWaalsContact CD1-CD1 3.43Å; I104-I158 HydrophobicContact CG2-CD1 4.07Å
105K89.1Confident83.1Confident5 Ų550.4 Ų50.42%0.02227%0.269CS..Hα-helixtrans-59.3-46.2174.9178.3-175.4168.5-178.70112.1M101 R102 D103 K107 I108 C109 L117 D120 D121 M124 L126 L135M101-K105 PolarHBondContact O-N 3.18Å; R102-K105 WeakPolarHBondContact O-CB 3.31Å; R102-K105 PolarHBondContact O-N 3.36Å; D103-K105 VanDerWaalsContact C-N 3.32Å; D103-K105 PolarHBondContact O-N 3.43Å; K105-K107 VanDerWaalsContact C-N 3.28Å; K105-K107 PolarHBondContact O-N 3.36Å; K105-I108 PolarHBondContact O-N 2.93Å; K105-C109 PolarHBondContact O-N 2.93Å; K105-C109 PolarHBondContact O-SG 3.06Å; K105-C109 VanDerWaalsContact O-SG 3.38Å; K105-L117 WeakPolarHBondContact CE-O 3.4Å; K105-D120 PolarHBondContact NZ-O 2.95Å; K105-D121 PolarHBondContact NZ-O 3.37Å; K105-M124 HydrophobicContact CD-CB 4.49Å; K105-M124 HydrophobicContact CG-SD 4.1Å; K105-L126 HydrophobicContact CB-CD1 4.12Å; K105-L135 HydrophobicContact CB-CD2 4.16Å; K105-L135 HydrophobicContact CD-CD1 3.6Å; K105-L135 HydrophobicContact CD-CD2 3.94Å; K105-L135 HydrophobicContact CD-CG 4.45Å
106R87.2Confident82.8Confident126 Ų12650.5 Ų50.548%0.47527%0.272SS..Hα-helixtrans-59.4-42.1177.7-76.1175.1-178.3-104.3-2.5110.9R102 D103 I104 C109 N110R102-R106 WeakPolarHBondContact O-CG 3.01Å; R102-R106 PolarHBondContact O-N 3.37Å; D103-R106 WeakPolarHBondContact O-CB 3.36Å; D103-R106 PolarHBondContact O-N 2.9Å; D103-R106 VanDerWaalsContact O-N 3.12Å; I104-R106 PolarHBondContact O-N 2.99Å; R106-C109 PolarHBondContact O-N 3.02Å; R106-N110 WeakPolarHBondContact O-CB 3.29Å; R106-N110 VanDerWaalsContact O-CG 3.29Å; R106-N110 PolarHBondContact O-N 2.87Å; R106-N110 PolarHBondContact O-ND2 2.81Å
107K87Confident82.6Confident22 Ų2247 Ų4710%0.09625%0.254CS..Hα-helixtrans-59.7-47.7174.7-168.3-177.1175.835.20111.6M85 Y90 D96 M97 D103 I104 K105 C109 N110 D111M85-K107 HydrophobicContact CE-CD 4.2Å; M85-K107 HydrophobicContact CE-CG 4.03Å; Y90-K107 VanDerWaalsContact CE1-CE 3.47Å; D96-K107 HydrophobicContact CB-CD 3.85Å; D96-K107 HydrophobicContact CB-CG 4.26Å; M97-K107 HydrophobicContact CG-CD 4.2Å; M97-K107 HydrophobicContact SD-CD 3.46Å; M97-K107 WeakPolarHBondContact SD-CD 3.47Å; D103-K107 PolarHBondContact O-N 3.26Å; I104-K107 WeakPolarHBondContact O-CB 3.38Å; I104-K107 PolarHBondContact O-N 3.23Å; K105-K107 VanDerWaalsContact C-N 3.28Å; K105-K107 PolarHBondContact O-N 3.36Å; K107-C109 VanDerWaalsContact C-N 3.33Å; K107-C109 PolarHBondContact O-N 3.4Å; K107-N110 PolarHBondContact O-N 3.31Å; K107-D111 IonicContact NZ-OD1 2.74Å; K107-D111 IonicContact NZ-OD2 3.76Å; K107-D111 PolarHBondContact NZ-OD2 2.91Å; K107-D111 WeakPolarHBondContact O-CB 3.45Å; K107-D111 PolarHBondContact O-N 2.77Å
108I86.3Confident82.2Confident0 Ų048.8 Ų48.80%026%0.263CS..Hα-helixtrans-57.2-48.2176.2-66.7166000111I71 M85 I104 K105 N110 C112 M124 L126 Y160I71-I108 HydrophobicContact CD1-CD1 4.34Å; I71-I108 HydrophobicContact CD1-CG1 4.09Å; I71-I108 HydrophobicContact CG2-CD1 3.67Å; I71-I108 HydrophobicContact CG2-CG1 3.87Å; M85-I108 HydrophobicContact CE-CG1 3.99Å; M85-I108 HydrophobicContact SD-CB 4.24Å; M85-I108 HydrophobicContact SD-CG1 3.99Å; M85-I108 HydrophobicContact SD-CG2 4.45Å; I104-I108 HydrophobicContact CG2-CD1 3.99Å; I104-I108 VanDerWaalsContact O-CG1 3.31Å; I104-I108 WeakPolarHBondContact O-CG1 3.45Å; I104-I108 PolarHBondContact O-N 3.25Å; K105-I108 PolarHBondContact O-N 2.93Å; I108-N110 VanDerWaalsContact C-N 3.35Å; I108-N110 PolarHBondContact O-N 3.04Å; I108-C112 WeakPolarHBondContact O-CB 3.26Å; I108-C112 PolarHBondContact O-N 2.81Å; I108-C112 PolarHBondContact O-SG 3.1Å; I108-M124 HydrophobicContact CG2-CE 4.12Å; I108-M124 HydrophobicContact CG2-SD 4.1Å; I108-L126 HydrophobicContact CD1-CD2 3.82Å; I108-Y160 HydrophobicContact CD1-CD1 4.09Å; I108-Y160 HydrophobicContact CD1-CG 4.13Å; I108-Y160 HydrophobicContact CG2-CD1 4.26Å; I108-Y160 HydrophobicContact CG2-CD2 3.85Å; I108-Y160 HydrophobicContact CG2-CE1 4.25Å; I108-Y160 HydrophobicContact CG2-CE2 3.79Å; I108-Y160 HydrophobicContact CG2-CG 4.06Å
109C85Confident82Confident0 Ų057 Ų570%030%0.297CS..Hα-helixtrans-67.1-34.3-178.4-67.50000113K105 R106 K107 E113 L114 L118K105-C109 PolarHBondContact O-N 2.93Å; K105-C109 PolarHBondContact O-SG 3.06Å; K105-C109 VanDerWaalsContact O-SG 3.38Å; R106-C109 PolarHBondContact O-N 3.02Å; K107-C109 VanDerWaalsContact C-N 3.33Å; K107-C109 PolarHBondContact O-N 3.4Å; C109-E113 CarbonylContact O-C 3.58Å; C109-E113 PolarHBondContact O-N 3.28Å; C109-L114 HydrophobicContact CB-CB 4.34Å; C109-L114 PolarHBondContact O-N 2.9Å; C109-L118 HydrophobicContact CB-CD2 3.37Å; C109-L118 HydrophobicContact CB-CG 3.65Å
110N83.6Confident81.7Confident98 Ų9855.8 Ų55.852%0.52429%0.286SS..Hα-helixtrans-70.8-50.9175.3-74.7-26.7000111.8R106 K107 I108 C112 E113 L118R106-N110 WeakPolarHBondContact O-CB 3.29Å; R106-N110 VanDerWaalsContact O-CG 3.29Å; R106-N110 PolarHBondContact O-N 2.87Å; R106-N110 PolarHBondContact O-ND2 2.81Å; K107-N110 PolarHBondContact O-N 3.31Å; I108-N110 VanDerWaalsContact C-N 3.35Å; I108-N110 PolarHBondContact O-N 3.04Å; N110-C112 VanDerWaalsContact C-N 3.3Å; N110-C112 PolarHBondContact O-N 2.86Å; N110-E113 PolarHBondContact O-N 3.45Å; N110-L118 WeakPolarHBondContact OD1-CD1 3.36Å; N110-L118 WeakPolarHBondContact OD1-CD2 3.11Å
111D82.5Confident81.1Confident61 Ų6157.1 Ų57.133%0.32629%0.291SS..Hα-helixtrans-70.3-28.3-175.2-70.6-4.1000111.8M85 K107M85-D111 HydrophobicContact CE-CB 4.21Å; M85-D111 HydrophobicContact SD-CB 3.71Å; K107-D111 IonicContact NZ-OD1 2.74Å; K107-D111 IonicContact NZ-OD2 3.76Å; K107-D111 PolarHBondContact NZ-OD2 2.91Å; K107-D111 WeakPolarHBondContact O-CB 3.45Å; K107-D111 PolarHBondContact O-N 2.77Å
112C76Confident80.6Confident5 Ų562.2 Ų62.23%0.03432%0.319CS..THydrogen-bonded Turntrans-95.96.2176.5-60.60000114.5I108 N110 L114I108-C112 WeakPolarHBondContact O-CB 3.26Å; I108-C112 PolarHBondContact O-N 2.81Å; I108-C112 PolarHBondContact O-SG 3.1Å; N110-C112 VanDerWaalsContact C-N 3.3Å; N110-C112 PolarHBondContact O-N 2.86Å; C112-L114 HydrophobicContact CB-CD1 3.95Å; C112-L114 HydrophobicContact CB-CG 3.94Å; C112-L114 PolarHBondContact O-N 3.45Å
113E75.5Confident80.1Confident152 Ų15260 Ų6071%0.7132%0.315SS*.THydrogen-bonded Turntrans55.227.5-176.6-59.8-177178.600114.5C109 N110 V115C109-E113 CarbonylContact O-C 3.58Å; C109-E113 PolarHBondContact O-N 3.28Å; N110-E113 PolarHBondContact O-N 3.45Å; E113-V115 PolarHBondContact O-N 3.24Å
114L74Confident79.9Confident31 Ų3158.2 Ų58.216%0.16231%0.305CS..  trans-83.455.7177.3-59.3170.5000111C109 C112 S116 L117 M124C109-L114 HydrophobicContact CB-CB 4.34Å; C109-L114 PolarHBondContact O-N 2.9Å; C112-L114 HydrophobicContact CB-CD1 3.95Å; C112-L114 HydrophobicContact CB-CG 3.94Å; C112-L114 PolarHBondContact O-N 3.45Å; L114-S116 PolarHBondContact O-N 3.23Å; L114-S116 VanDerWaalsContact O-N 3.12Å; L114-L117 HydrophobicContact CB-CB 4.46Å; L114-L117 HydrophobicContact CB-CD1 4.27Å; L114-L117 HydrophobicContact CD1-CD1 4.34Å; L114-L117 PolarHBondContact O-N 3.04Å; L114-M124 HydrophobicContact CD1-CE 3.71Å
115V71.2Confident79.9Confident101 Ų10158.8 Ų58.861%0.61231%0.308SS*.G310 helixtrans-56.7-34.4-171.3-177.90000112.4E113 L117 L118E113-V115 PolarHBondContact O-N 3.24Å; V115-L117 PolarHBondContact O-N 3.44Å; V115-L118 HydrophobicContact CB-CD1 4.43Å; V115-L118 HydrophobicContact CG1-CD1 4.22Å; V115-L118 WeakPolarHBondContact O-CB 3.2Å; V115-L118 PolarHBondContact O-N 2.79Å
116S71.6Confident80.1Confident114 Ų11458.6 Ų58.680%0.79731%0.307SS*.G310 helixtrans-64.9-24.8178.5-52.60000114L114L114-S116 PolarHBondContact O-N 3.23Å; L114-S116 VanDerWaalsContact O-N 3.12Å
117L75.4Confident80.3Confident25 Ų2553.1 Ų53.113%0.13129%0.287CS..G310 helixtrans-95-3.5-179.3-64.3175.3000112.9K105 L114 V115 M124 M162K105-L117 WeakPolarHBondContact CE-O 3.4Å; L114-L117 HydrophobicContact CB-CB 4.46Å; L114-L117 HydrophobicContact CB-CD1 4.27Å; L114-L117 HydrophobicContact CD1-CD1 4.34Å; L114-L117 PolarHBondContact O-N 3.04Å; V115-L117 PolarHBondContact O-N 3.44Å; L117-M124 HydrophobicContact CD1-CE 3.78Å; L117-M162 HydrophobicContact CD1-CG 4.31Å
118L73.4Confident80.5Confident38 Ų3852 Ų5220%0.19928%0.282CS..THydrogen-bonded Turntrans-64.8-43.5177.6-79.7168.8000112.1C109 N110 V115C109-L118 HydrophobicContact CB-CD2 3.37Å; C109-L118 HydrophobicContact CB-CG 3.65Å; N110-L118 WeakPolarHBondContact OD1-CD1 3.36Å; N110-L118 WeakPolarHBondContact OD1-CD2 3.11Å; V115-L118 HydrophobicContact CB-CD1 4.43Å; V115-L118 HydrophobicContact CG1-CD1 4.22Å; V115-L118 WeakPolarHBondContact O-CB 3.2Å; V115-L118 PolarHBondContact O-N 2.79Å
119E75.3Confident80.5Confident187 Ų18755.5 Ų55.587%0.87430%0.301SS*.SBendtrans-90.8-20.2-178.6-62.4-161.3163.100113.2D121E119-D121 PolarHBondContact O-N 2.94Å
120D78.9Confident80.5Confident70 Ų7057.8 Ų57.837%0.37433%0.325SS..  trans-91.898.6-178.5-176.912.1000111.8K105 N122 G123K105-D120 PolarHBondContact NZ-O 2.95Å; D120-N122 PolarHBondContact O-N 2.86Å; D120-N122 WeakPolarHBondContact OD1-CB 3.12Å; D120-N122 PolarHBondContact OD1-N 3.29Å; D120-G123 PolarHBondContact O-N 3.16Å; D120-G123 PolarHBondContact OD2-N 2.87Å
121D76Confident80.8Confident61 Ų6156.2 Ų56.233%0.32631%0.313SS..THydrogen-bonded Turntrans-57.7-25.9174.7-74.3-24.9000113.9R102 K105 E119 L135R102-D121 IonicContact CZ-OD1 3.78Å; R102-D121 IonicContact CZ-OD2 3.15Å; R102-D121 IonicContact NH1-OD1 3.07Å; R102-D121 PolarHBondContact NH1-OD1 3.21Å; R102-D121 IonicContact NH1-OD2 2.68Å; R102-D121 PolarHBondContact NH1-OD2 3.33Å; R102-D121 IonicContact NH2-OD2 3.23Å; R102-D121 PolarHBondContact NH2-OD2 3.02Å; K105-D121 PolarHBondContact NZ-O 3.37Å; E119-D121 PolarHBondContact O-N 2.94Å; D121-L135 HydrophobicContact CB-CD1 4.4Å; D121-L135 WeakPolarHBondContact O-CD1 3.39Å
122N77.7Confident81.1Confident108 Ų10853.6 Ų53.658%0.57830%0.299SS*.THydrogen-bonded Turntrans-93.8-11-174.4-62.5-59.4000114.4D120 R163D120-N122 PolarHBondContact O-N 2.86Å; D120-N122 WeakPolarHBondContact OD1-CB 3.12Å; D120-N122 PolarHBondContact OD1-N 3.29Å; N122-R163 WeakPolarHBondContact O-CB 3.31Å; N122-R163 VanDerWaalsContact O-CD 3.25Å; N122-R163 WeakPolarHBondContact O-CD 3.33Å
123G77.8Confident81.9Confident14 Ų1453.6 Ų53.614%0.14430%0.299CS..SBendtrans-79-24.2-172.300000115.1D120 M162 R163D120-G123 PolarHBondContact O-N 3.16Å; D120-G123 PolarHBondContact OD2-N 2.87Å; G123-M162 WeakPolarHBondContact O-CA 3.45Å; G123-R163 PolarHBondContact O-N 2.86Å
124M85Confident82.6Confident4 Ų447.7 Ų47.72%0.0227%0.274CS..EExtended strand (participates in β ladder)trans-130135.6-176.6-176.3-178.3-70.800111.3K105 I108 L114 L117 L126 Y160 R161K105-M124 HydrophobicContact CD-CB 4.49Å; K105-M124 HydrophobicContact CG-SD 4.1Å; I108-M124 HydrophobicContact CG2-CE 4.12Å; I108-M124 HydrophobicContact CG2-SD 4.1Å; L114-M124 HydrophobicContact CD1-CE 3.71Å; L117-M124 HydrophobicContact CD1-CE 3.78Å; M124-L126 HydrophobicContact SD-CD2 4.39Å; M124-Y160 HydrophobicContact CE-CD2 4.04Å; M124-Y160 HydrophobicContact SD-CD2 4.12Å; M124-R161 WeakPolarHBondContact CA-O 3.28Å; M124-R161 WeakPolarHBondContact CG-O 3.16Å
125E89.4Confident83.3Confident12 Ų1247 Ų476%0.05627%0.271CS..EExtended strand (participates in β ladder)trans-106.5141.6174.7-66.9176.4165.900110L127 I132 Y160 R161 R163E125-L127 HydrophobicContact CB-CD1 4.12Å; E125-I132 HydrophobicContact CB-CG2 4.18Å; E125-I132 HydrophobicContact CG-CG2 4.2Å; E125-Y160 WeakPolarHBondContact O-CA 3.33Å; E125-R161 HydrophobicContact CB-CG 4.18Å; E125-R161 PolarHBondContact N-O 2.96Å; E125-R161 PolarHBondContact O-N 3.26Å; E125-R161 IonicContact OE2-CZ 3.97Å; E125-R161 IonicContact OE2-NE 3.58Å; E125-R161 PolarHBondContact OE2-NE 3.19Å; E125-R161 VanDerWaalsContact OE2-NE 3.07Å; E125-R161 IonicContact OE2-NH2 3.67Å; E125-R161 PolarHBondContact OE2-NH2 3.05Å; E125-R161 VanDerWaalsContact OE2-NH2 3.15Å; E125-R163 HydrophobicContact CG-CB 4.09Å; E125-R163 HydrophobicContact CG-CG 4.26Å; E125-R163 WeakPolarHBondContact OE1-CD 3.49Å; E125-R163 VanDerWaalsContact OE1-CG 3.26Å; E125-R163 WeakPolarHBondContact OE1-CG 3.44Å; E125-R163 IonicContact OE1-NE 2.67Å; E125-R163 PolarHBondContact OE1-NE 3.32Å
126L92.7Very high84.1Confident1 Ų147.3 Ų47.31%0.00527%0.269CS..EExtended strand (participates in β ladder)trans-111.9126.1172-60-175.2000108.9M101 I104 K105 I108 M124 I133 L135 I158M101-L126 HydrophobicContact CB-CD1 4.36Å; M101-L126 HydrophobicContact CE-CB 4.07Å; M101-L126 HydrophobicContact CE-CD1 3.96Å; M101-L126 VanDerWaalsContact O-CD1 3.29Å; M101-L126 WeakPolarHBondContact O-CD1 3.4Å; I104-L126 HydrophobicContact CB-CD1 4.47Å; I104-L126 HydrophobicContact CG2-CD1 4.37Å; K105-L126 HydrophobicContact CB-CD1 4.12Å; I108-L126 HydrophobicContact CD1-CD2 3.82Å; M124-L126 HydrophobicContact SD-CD2 4.39Å; L126-I133 PolarHBondContact O-N 3.3Å; L126-L135 HydrophobicContact CD1-CD2 3.93Å; L126-L135 HydrophobicContact CG-CD2 4.13Å; L126-I158 HydrophobicContact CB-CG2 4.06Å; L126-I158 HydrophobicContact CD2-CG2 4.22Å
127L93.1Very high84.8Confident11 Ų1142.8 Ų42.86%0.05824%0.236CC..EExtended strand (participates in β ladder)trans-112.5134.6-177.8-67.684.3000110.5E125 K131 I132 I158 V159 R161 E171E125-L127 HydrophobicContact CB-CD1 4.12Å; L127-K131 CarbonylContact C-O 3.53Å; L127-K131 WeakPolarHBondContact CA-O 3.05Å; L127-I132 HydrophobicContact CD1-CG1 4.34Å; L127-I132 HydrophobicContact CD2-CG1 4.11Å; L127-I132 HydrophobicContact CG-CG1 3.89Å; L127-I158 CarbonylContact O-C 3.58Å; L127-I158 WeakPolarHBondContact O-CA 3.48Å; L127-V159 HydrophobicContact CB-CB 4.31Å; L127-V159 PolarHBondContact N-O 2.87Å; L127-V159 PolarHBondContact O-N 3.4Å; L127-R161 HydrophobicContact CD1-CG 3.87Å; L127-E171 HydrophobicContact CD2-CG 4.2Å
128V90.4Very high85.5Confident0 Ų046.9 Ų46.90%025%0.254CS..EExtended strand (participates in β ladder)trans-127.9124.8172.2-179.70000107.5M101 G130 K131 I133 V142 V146 W147 M156 I158M101-V128 HydrophobicContact CE-CG2 4.14Å; V128-G130 PolarHBondContact O-N 3.24Å; V128-K131 PolarHBondContact N-O 3.05Å; V128-K131 WeakPolarHBondContact O-CB 3.11Å; V128-K131 PolarHBondContact O-N 2.93Å; V128-I133 HydrophobicContact CB-CD1 4.27Å; V128-I133 HydrophobicContact CB-CG1 3.87Å; V128-I133 HydrophobicContact CG2-CG1 3.81Å; V128-V142 HydrophobicContact CB-CG1 4.17Å; V128-V142 HydrophobicContact CG1-CG1 4.2Å; V128-V142 HydrophobicContact CG2-CG1 3.91Å; V128-V146 HydrophobicContact CB-CG1 4.38Å; V128-V146 HydrophobicContact CG1-CB 4.42Å; V128-V146 HydrophobicContact CG1-CG1 4.05Å; V128-W147 HydrophobicContact CG1-CB 4.33Å; V128-W147 HydrophobicContact CG1-CE3 3.82Å; V128-M156 HydrophobicContact CG1-CG 3.97Å; V128-M156 HydrophobicContact CG1-SD 3.94Å; V128-M156 HydrophobicContact CG2-SD 4.48Å; V128-I158 HydrophobicContact CG2-CG1 3.97Å
129D85.5Confident86.1Confident72 Ų7245.3 Ų45.339%0.38525%0.246SC..THydrogen-bonded Turntrans51.939.2-175.3-161.548.3000113.3K131 V146 W147 H151D129-K131 PolarHBondContact O-N 3.09Å; D129-V146 HydrophobicContact CB-CG1 4.24Å; D129-W147 HydrophobicContact CB-CE3 4.47Å; D129-H151 IonicContact OD1-CD2 3.29Å; D129-H151 IonicContact OD1-CE1 2.75Å; D129-H151 IonicContact OD1-NE2 3.73Å; D129-H151 PolarHBondContact OD1-NE2 3.31Å
130G85.1Confident86.5Confident49 Ų4939 Ų3951%0.50523%0.226SC..THydrogen-bonded Turntrans73.56.7-178.300000115.3V128 E171V128-G130 PolarHBondContact O-N 3.24Å; G130-E171 WeakPolarHBondContact O-CB 3.43Å; G130-E171 WeakPolarHBondContact O-CG 3.47Å
131K89.8Confident86.7Confident65 Ų6538.4 Ų38.428%0.28322%0.221SC..EExtended strand (participates in β ladder)trans-106.6136.7177.7-56-172-177.5-152.80111.3L127 V128 D129 I133 V146 E172 V174L127-K131 CarbonylContact C-O 3.53Å; L127-K131 WeakPolarHBondContact CA-O 3.05Å; V128-K131 PolarHBondContact N-O 3.05Å; V128-K131 WeakPolarHBondContact O-CB 3.11Å; V128-K131 PolarHBondContact O-N 2.93Å; D129-K131 PolarHBondContact O-N 3.09Å; K131-I133 HydrophobicContact CB-CD1 4.29Å; K131-I133 PolarHBondContact O-N 3.37Å; K131-V146 HydrophobicContact CD-CG1 4.39Å; K131-E172 CarbonylContact C-O 3.53Å; K131-E172 WeakPolarHBondContact CE-OE2 3.34Å; K131-E172 HydrophobicContact CG-CB 4.35Å; K131-E172 IonicContact NZ-OE1 3.48Å; K131-E172 IonicContact NZ-OE2 3.55Å; K131-E172 PolarHBondContact NZ-OE2 3.25Å; K131-V174 HydrophobicContact CB-CG2 4.04Å; K131-V174 HydrophobicContact CD-CG2 4.13Å
132I89.9Confident87.1Confident6 Ų635.5 Ų35.53%0.03121%0.205CC..EExtended strand (participates in β ladder)trans-79.2118.8178.5-60.1164.3000109E125 L127 A169 E171 E172 F173 V174E125-I132 HydrophobicContact CB-CG2 4.18Å; E125-I132 HydrophobicContact CG-CG2 4.2Å; L127-I132 HydrophobicContact CD1-CG1 4.34Å; L127-I132 HydrophobicContact CD2-CG1 4.11Å; L127-I132 HydrophobicContact CG-CG1 3.89Å; I132-A169 HydrophobicContact CD1-CB 3.67Å; I132-E171 HydrophobicContact CD1-CB 3.98Å; I132-E171 HydrophobicContact CG1-CB 4.05Å; I132-E172 PolarHBondContact N-O 3.43Å; I132-F173 HydrophobicContact CB-CD1 3.89Å; I132-F173 HydrophobicContact CB-CE1 3.95Å; I132-F173 HydrophobicContact CB-CG 4.31Å; I132-F173 HydrophobicContact CB-CZ 4.4Å; I132-F173 HydrophobicContact CD1-CD1 4.38Å; I132-F173 HydrophobicContact CD1-CD2 4.25Å; I132-F173 HydrophobicContact CD1-CE1 3.81Å; I132-F173 HydrophobicContact CD1-CE2 3.65Å; I132-F173 HydrophobicContact CD1-CZ 3.39Å; I132-F173 HydrophobicContact CG1-CE1 4.49Å; I132-F173 HydrophobicContact CG1-CZ 4.5Å; I132-F173 HydrophobicContact CG2-CD1 3.69Å; I132-F173 HydrophobicContact CG2-CE1 3.49Å; I132-F173 VanDerWaalsContact CG2-CE1 3.49Å; I132-F173 HydrophobicContact CG2-CZ 4.25Å; I132-F173 WeakPolarHBondContact O-CA 3.39Å; I132-V174 PolarHBondContact O-N 2.71Å
133I92.3Very high87.4Confident4 Ų430.5 Ų30.52%0.02118%0.178CC..EExtended strand (participates in β ladder)trans-97.2131.1-175.2-52.4-54.1000110.1M101 L126 V128 K131 L137 V142 V146 V174M101-I133 HydrophobicContact CE-CB 4.15Å; M101-I133 HydrophobicContact CE-CG2 4.1Å; M101-I133 HydrophobicContact CG-CG2 3.81Å; M101-I133 HydrophobicContact SD-CG2 4.47Å; L126-I133 PolarHBondContact O-N 3.3Å; V128-I133 HydrophobicContact CB-CD1 4.27Å; V128-I133 HydrophobicContact CB-CG1 3.87Å; V128-I133 HydrophobicContact CG2-CG1 3.81Å; K131-I133 HydrophobicContact CB-CD1 4.29Å; K131-I133 PolarHBondContact O-N 3.37Å; I133-L137 HydrophobicContact CG2-CB 4.24Å; I133-L137 HydrophobicContact CG2-CD1 3.79Å; I133-V142 HydrophobicContact CD1-CG1 4.34Å; I133-V142 HydrophobicContact CG1-CG1 4.14Å; I133-V142 HydrophobicContact CG2-CG1 4.2Å; I133-V142 HydrophobicContact CG2-CG2 3.54Å; I133-V146 HydrophobicContact CD1-CG2 4.29Å; I133-V174 HydrophobicContact CD1-CB 3.87Å; I133-V174 HydrophobicContact CD1-CG2 3.85Å
134S90.5Very high87.4Confident28 Ų2833.6 Ų33.620%0.19619%0.188CC..PPolyproline II helixtrans-62.5137.2173.3-173.70000111.4D136 L137 V174S134-D136 PolarHBondContact O-N 3.35Å; S134-D136 VanDerWaalsContact O-N 3.16Å; S134-L137 WeakPolarHBondContact O-CB 3.49Å; S134-L137 PolarHBondContact O-N 3.37Å; S134-L137 VanDerWaalsContact O-N 3.14Å; S134-V174 WeakPolarHBondContact CB-O 3.28Å; S134-V174 PolarHBondContact N-O 2.79Å
135L88.4Confident87Confident17 Ų1739 Ų399%0.08921%0.208CC..THydrogen-bonded Turntrans-63.6-21.9-178.1-61.9178.7000113R102 K105 D121 L126 L137R102-L135 HydrophobicContact CB-CB 4.08Å; R102-L135 WeakPolarHBondContact CB-O 3.5Å; R102-L135 PolarHBondContact N-O 3.5Å; K105-L135 HydrophobicContact CB-CD2 4.16Å; K105-L135 HydrophobicContact CD-CD1 3.6Å; K105-L135 HydrophobicContact CD-CD2 3.94Å; K105-L135 HydrophobicContact CD-CG 4.45Å; D121-L135 HydrophobicContact CB-CD1 4.4Å; D121-L135 WeakPolarHBondContact O-CD1 3.39Å; L126-L135 HydrophobicContact CD1-CD2 3.93Å; L126-L135 HydrophobicContact CG-CD2 4.13Å; L135-L137 VanDerWaalsContact C-N 3.29Å; L135-L137 PolarHBondContact O-N 2.78Å
136D87.1Confident86.7Confident108 Ų10839.3 Ų39.358%0.57821%0.211SC*.THydrogen-bonded Turntrans-82.6-4.5-179.3-58.1-36.7000113.5R102 S134R102-D136 IonicContact CZ-OD1 2.78Å; R102-D136 IonicContact NE-OD1 3.17Å; R102-D136 IonicContact NH2-OD1 3.22Å; R102-D136 PolarHBondContact NH2-OD1 3.21Å; S134-D136 PolarHBondContact O-N 3.35Å; S134-D136 VanDerWaalsContact O-N 3.16Å
137L88Confident86.2Confident19 Ų1940.1 Ų40.110%0.09921%0.214CC..SBendtrans-79.6145.5177.8-72.7173000111.8T100 M101 I133 S134 L135 V142 V174 F177T100-L137 CarbonylContact C-O 3.49Å; T100-L137 WeakPolarHBondContact CA-O 3.45Å; M101-L137 HydrophobicContact CG-CB 4.47Å; M101-L137 WeakPolarHBondContact CG-O 3.49Å; M101-L137 PolarHBondContact N-O 3.01Å; I133-L137 HydrophobicContact CG2-CB 4.24Å; I133-L137 HydrophobicContact CG2-CD1 3.79Å; S134-L137 WeakPolarHBondContact O-CB 3.49Å; S134-L137 PolarHBondContact O-N 3.37Å; S134-L137 VanDerWaalsContact O-N 3.14Å; L135-L137 VanDerWaalsContact C-N 3.29Å; L135-L137 PolarHBondContact O-N 2.78Å; L137-V142 HydrophobicContact CB-CG2 3.92Å; L137-V142 HydrophobicContact CD1-CG2 4.48Å; L137-V174 HydrophobicContact CD1-CG1 3.91Å; L137-V174 VanDerWaalsContact CD1-O 3.32Å; L137-V174 WeakPolarHBondContact CD1-O 3.34Å; L137-F177 HydrophobicContact CB-CE2 4.37Å; L137-F177 HydrophobicContact CD1-CE2 3.9Å; L137-F177 HydrophobicContact CD1-CZ 4.01Å; L137-F177 HydrophobicContact CD2-CD2 3.74Å; L137-F177 HydrophobicContact CD2-CE2 3.73Å; L137-F177 HydrophobicContact CG-CE2 4.22Å
138E88.1Confident85.4Confident110 Ų11044.3 Ų44.351%0.51423%0.23SC..BIsolated β-bridgetrans-73137.1173.7-67.7-174.5179.300111.5P99 A140 E141 V142P99-E138 CarbonylContact O-C 3.51Å; P99-E138 VanDerWaalsContact O-CA 3.28Å; P99-E138 WeakPolarHBondContact O-CA 3.36Å; E138-A140 VanDerWaalsContact C-N 3.28Å; E138-A140 PolarHBondContact O-N 3.37Å; E138-E141 HydrophobicContact CB-CB 4.24Å; E138-E141 HydrophobicContact CB-CG 4.27Å; E138-E141 PolarHBondContact O-N 2.86Å; E138-E141 VanDerWaalsContact O-N 3.14Å; E138-V142 WeakPolarHBondContact O-CG2 3.47Å; E138-V142 PolarHBondContact O-N 3.21Å
139V87.5Confident84.5Confident5 Ų549 Ų493%0.0326%0.26CS..Hα-helixtrans-61.4-38.6-177.7-175.90000111.1F67 P99 M101 I104 V142 F143 M156F67-V139 HydrophobicContact CE2-CG1 3.97Å; F67-V139 HydrophobicContact CZ-CG1 3.94Å; P99-V139 PolarHBondContact O-N 2.81Å; M101-V139 HydrophobicContact SD-CB 4.49Å; M101-V139 HydrophobicContact SD-CG2 4Å; I104-V139 HydrophobicContact CD1-CB 4.34Å; I104-V139 HydrophobicContact CD1-CG1 3.76Å; I104-V139 HydrophobicContact CD1-CG2 3.54Å; I104-V139 HydrophobicContact CG1-CG2 4.05Å; V139-V142 PolarHBondContact O-N 3.22Å; V139-F143 PolarHBondContact O-N 3.46Å; V139-M156 HydrophobicContact CG1-CE 3.85Å
140A83.8Confident84Confident55 Ų5548.6 Ų48.646%0.45527%0.267SS..Hα-helixtrans-63.9-39.8176.500000112.8F67 E138 F143 K144F67-A140 HydrophobicContact CE1-CB 4.27Å; E138-A140 VanDerWaalsContact C-N 3.28Å; E138-A140 PolarHBondContact O-N 3.37Å; A140-F143 PolarHBondContact O-N 3.45Å; A140-K144 WeakPolarHBondContact O-CB 3.36Å; A140-K144 PolarHBondContact O-N 3.42Å
141E82.5Confident83.5Confident57 Ų5749.4 Ų49.427%0.26626%0.257SS..Hα-helixtrans-68.7-39.2176.7-79.4-75.6143.400111.5E138 K144 R145 F177E138-E141 HydrophobicContact CB-CB 4.24Å; E138-E141 HydrophobicContact CB-CG 4.27Å; E138-E141 PolarHBondContact O-N 2.86Å; E138-E141 VanDerWaalsContact O-N 3.14Å; E141-K144 PolarHBondContact O-N 3.01Å; E141-R145 WeakPolarHBondContact O-CB 3.45Å; E141-R145 PolarHBondContact O-N 2.82Å; E141-R145 IonicContact OE1-NH2 3.92Å; E141-R145 IonicContact OE2-CZ 3.49Å; E141-R145 IonicContact OE2-NE 2.71Å; E141-R145 PolarHBondContact OE2-NE 3.21Å; E141-R145 IonicContact OE2-NH2 2.87Å; E141-R145 PolarHBondContact OE2-NH2 2.72Å; E141-F177 HydrophobicContact CB-CD2 3.84Å; E141-F177 HydrophobicContact CB-CE2 3.65Å
142V85.4Confident82.8Confident0 Ų047.5 Ų47.50%026%0.256CS..Hα-helixtrans-62.8-44.8174.8177.80000110.8M101 V128 I133 L137 E138 V139 V146 W147 M156 F177M101-V142 HydrophobicContact CG-CG2 4.01Å; M101-V142 HydrophobicContact SD-CB 4.42Å; M101-V142 HydrophobicContact SD-CG1 4.45Å; M101-V142 HydrophobicContact SD-CG2 4.16Å; V128-V142 HydrophobicContact CB-CG1 4.17Å; V128-V142 HydrophobicContact CG1-CG1 4.2Å; V128-V142 HydrophobicContact CG2-CG1 3.91Å; I133-V142 HydrophobicContact CD1-CG1 4.34Å; I133-V142 HydrophobicContact CG1-CG1 4.14Å; I133-V142 HydrophobicContact CG2-CG1 4.2Å; I133-V142 HydrophobicContact CG2-CG2 3.54Å; L137-V142 HydrophobicContact CB-CG2 3.92Å; L137-V142 HydrophobicContact CD1-CG2 4.48Å; E138-V142 WeakPolarHBondContact O-CG2 3.47Å; E138-V142 PolarHBondContact O-N 3.21Å; V139-V142 PolarHBondContact O-N 3.22Å; V142-V146 HydrophobicContact CG1-CB 4.39Å; V142-V146 HydrophobicContact CG1-CG2 4.32Å; V142-V146 WeakPolarHBondContact O-CA 3.45Å; V142-V146 VanDerWaalsContact O-CB 3.27Å; V142-V146 WeakPolarHBondContact O-CB 3.47Å; V142-V146 PolarHBondContact O-N 3.18Å; V142-W147 PolarHBondContact O-N 3.44Å; V142-M156 HydrophobicContact CG1-SD 4.16Å; V142-F177 HydrophobicContact CB-CZ 4.36Å; V142-F177 HydrophobicContact CG2-CE2 4.01Å; V142-F177 HydrophobicContact CG2-CZ 3.85Å
143F83Confident82.2Confident3 Ų352.3 Ų52.31%0.01329%0.285CS..Iπ-helixtrans-59.2-52.3174.9-177.2-108.1000111.7L64 F67 V139 A140 R145 W147 Y148 M156L64-F143 HydrophobicContact CB-CD1 4.46Å; L64-F143 HydrophobicContact CB-CE1 3.98Å; L64-F143 HydrophobicContact CD1-CD1 4.35Å; L64-F143 HydrophobicContact CD1-CE1 3.84Å; L64-F143 HydrophobicContact CG-CE1 4.34Å; F67-F143 HydrophobicContact CB-CD1 3.97Å; F67-F143 HydrophobicContact CB-CD2 4.2Å; F67-F143 HydrophobicContact CB-CE1 3.55Å; F67-F143 HydrophobicContact CB-CE2 3.8Å; F67-F143 HydrophobicContact CB-CG 4.27Å; F67-F143 HydrophobicContact CB-CZ 3.47Å; F67-F143 VanDerWaalsContact CB-CZ 3.47Å; F67-F143 HydrophobicContact CD1-CB 4.31Å; F67-F143 AromaticContact CD1-CD1 3.6Å; F67-F143 HydrophobicContact CD1-CD1 3.6Å; F67-F143 HydrophobicContact CD1-CE1 4Å; F67-F143 AromaticContact CD1-CG 3.9Å; F67-F143 HydrophobicContact CD1-CG 3.9Å; F67-F143 HydrophobicContact CD2-CB 4.02Å; F67-F143 HydrophobicContact CD2-CD1 4.09Å; F67-F143 AromaticContact CD2-CD2 3.56Å; F67-F143 HydrophobicContact CD2-CD2 3.56Å; F67-F143 HydrophobicContact CD2-CE1 4.45Å; F67-F143 AromaticContact CD2-CE2 3.96Å; F67-F143 HydrophobicContact CD2-CE2 3.96Å; F67-F143 AromaticContact CD2-CG 3.62Å; F67-F143 HydrophobicContact CD2-CG 3.62Å; F67-F143 HydrophobicContact CD2-CZ 4.4Å; F67-F143 HydrophobicContact CE1-CB 4Å; F67-F143 HydrophobicContact CE1-CD1 4.07Å; F67-F143 HydrophobicContact CE1-CG 4.11Å; F67-F143 HydrophobicContact CE2-CB 3.69Å; F67-F143 HydrophobicContact CE2-CD2 4.04Å; F67-F143 AromaticContact CE2-CG 3.84Å; F67-F143 HydrophobicContact CE2-CG 3.84Å; F67-F143 HydrophobicContact CG-CB 4.33Å; F67-F143 AromaticContact CG-CD1 3.61Å; F67-F143 HydrophobicContact CG-CD1 3.61Å; F67-F143 AromaticContact CG-CD2 3.86Å; F67-F143 HydrophobicContact CG-CD2 3.86Å; F67-F143 AromaticContact CG-CE1 3.76Å; F67-F143 HydrophobicContact CG-CE1 3.76Å; F67-F143 AromaticContact CG-CE2 3.99Å; F67-F143 HydrophobicContact CG-CE2 3.99Å; F67-F143 AromaticContact CG-CG 3.66Å; F67-F143 HydrophobicContact CG-CG 3.66Å; F67-F143 AromaticContact CG-CZ 3.96Å; F67-F143 HydrophobicContact CG-CZ 3.96Å; F67-F143 HydrophobicContact CZ-CB 3.68Å; F67-F143 HydrophobicContact CZ-CG 4.09Å; V139-F143 PolarHBondContact O-N 3.46Å; A140-F143 PolarHBondContact O-N 3.45Å; F143-R145 PolarHBondContact O-N 3.17Å; F143-W147 HydrophobicContact CD2-CB 4.07Å; F143-W147 AromaticContact CD2-CD1 3.76Å; F143-W147 HydrophobicContact CD2-CG 4.16Å; F143-W147 AromaticContact CE2-CD1 3.41Å; F143-W147 VanDerWaalsContact CE2-CD1 3.41Å; F143-W147 HydrophobicContact CE2-CG 4.24Å; F143-W147 PolarHBondContact O-N 3.23Å; F143-Y148 HydrophobicContact CE1-CD2 4.13Å; F143-Y148 HydrophobicContact CZ-CD2 4.33Å; F143-Y148 WeakPolarHBondContact O-CB 3.46Å; F143-Y148 PolarHBondContact O-N 3.46Å; F143-M156 HydrophobicContact CB-CE 4.36Å; F143-M156 HydrophobicContact CB-SD 3.97Å; F143-M156 HydrophobicContact CD2-CB 3.79Å; F143-M156 HydrophobicContact CD2-CG 4.33Å; F143-M156 HydrophobicContact CD2-SD 3.96Å; F143-M156 HydrophobicContact CE2-CB 4.14Å
144K77Confident81.7Confident80 Ų8057 Ų5735%0.34831%0.31SS..Iπ-helixtrans-64.1-39.3-175.9-171.9174.4-175.2170.60113D61 A140 E141 P149D61-K144 IonicContact OD1-NZ 2.92Å; D61-K144 PolarHBondContact OD1-NZ 3.17Å; D61-K144 IonicContact OD2-NZ 2.93Å; D61-K144 PolarHBondContact OD2-NZ 3.47Å; A140-K144 WeakPolarHBondContact O-CB 3.36Å; A140-K144 PolarHBondContact O-N 3.42Å; E141-K144 PolarHBondContact O-N 3.01Å; K144-P149 WeakPolarHBondContact O-CD 3.23Å
145R77.9Confident81.5Confident117 Ų11758.2 Ų58.244%0.44232%0.318SS..Iπ-helixtrans-100.4-27.5-171.1-61.4-162-161.9-169.915.5115.1E141 F143 F177E141-R145 WeakPolarHBondContact O-CB 3.45Å; E141-R145 PolarHBondContact O-N 2.82Å; E141-R145 IonicContact OE1-NH2 3.92Å; E141-R145 IonicContact OE2-CZ 3.49Å; E141-R145 IonicContact OE2-NE 2.71Å; E141-R145 PolarHBondContact OE2-NE 3.21Å; E141-R145 IonicContact OE2-NH2 2.87Å; E141-R145 PolarHBondContact OE2-NH2 2.72Å; F143-R145 PolarHBondContact O-N 3.17Å; R145-F177 HydrophobicContact CB-CD1 4.01Å; R145-F177 HydrophobicContact CB-CE1 3.89Å; R145-F177 HydrophobicContact CB-CZ 4.4Å; R145-F177 HydrophobicContact CG-CD1 4.42Å; R145-F177 PolarHBondContact NH1-O 3.33Å
146V82.2Confident81.5Confident18 Ų1857.4 Ų57.411%0.10931%0.313CS..Iπ-helixtrans-103.7-48.9-177.5-172.60000110.4V128 D129 K131 I133 V142 F177V128-V146 HydrophobicContact CB-CG1 4.38Å; V128-V146 HydrophobicContact CG1-CB 4.42Å; V128-V146 HydrophobicContact CG1-CG1 4.05Å; D129-V146 HydrophobicContact CB-CG1 4.24Å; K131-V146 HydrophobicContact CD-CG1 4.39Å; I133-V146 HydrophobicContact CD1-CG2 4.29Å; V142-V146 HydrophobicContact CG1-CB 4.39Å; V142-V146 HydrophobicContact CG1-CG2 4.32Å; V142-V146 WeakPolarHBondContact O-CA 3.45Å; V142-V146 VanDerWaalsContact O-CB 3.27Å; V142-V146 WeakPolarHBondContact O-CB 3.47Å; V142-V146 PolarHBondContact O-N 3.18Å; V146-F177 HydrophobicContact CG2-CE1 3.66Å; V146-F177 HydrophobicContact CG2-CZ 3.92Å
147W82.9Confident81.7Confident19 Ų1954 Ų547%0.07230%0.296CS..Iπ-helixtrans-86.7-53.1-171.3-172.1-96.3000113.9V128 D129 V142 F143 P149 A150 H151 D154 P155 M156 V157V128-W147 HydrophobicContact CG1-CB 4.33Å; V128-W147 HydrophobicContact CG1-CE3 3.82Å; D129-W147 HydrophobicContact CB-CE3 4.47Å; V142-W147 PolarHBondContact O-N 3.44Å; F143-W147 HydrophobicContact CD2-CB 4.07Å; F143-W147 AromaticContact CD2-CD1 3.76Å; F143-W147 HydrophobicContact CD2-CG 4.16Å; F143-W147 AromaticContact CE2-CD1 3.41Å; F143-W147 VanDerWaalsContact CE2-CD1 3.41Å; F143-W147 HydrophobicContact CE2-CG 4.24Å; F143-W147 PolarHBondContact O-N 3.23Å; W147-P149 VanDerWaalsContact C-CD 3.42Å; W147-A150 PolarHBondContact O-N 3.36Å; W147-A150 VanDerWaalsContact O-N 3.14Å; W147-H151 HydrophobicContact CD2-CB 4.08Å; W147-H151 AromaticContact CD2-CD2 3.56Å; W147-H151 AromaticContact CE2-CD2 3.7Å; W147-H151 AromaticContact CE2-CG 3.72Å; W147-H151 AromaticContact CE3-CD2 3.54Å; W147-H151 HydrophobicContact CG-CB 4.35Å; W147-H151 AromaticContact CH2-CD2 3.84Å; W147-H151 HydrophobicContact CZ2-CB 3.85Å; W147-H151 AromaticContact CZ2-CD2 3.87Å; W147-H151 AromaticContact CZ2-CG 3.75Å; W147-H151 AromaticContact CZ3-CD2 3.69Å; W147-H151 AromaticContact CZ3-NE2 3.91Å; W147-H151 PolarHBondContact O-N 3.09Å; W147-D154 PolarHBondContact NE1-O 2.95Å; W147-P155 WeakPolarHBondContact CZ2-O 3.28Å; W147-M156 HydrophobicContact CB-CB 4.47Å; W147-M156 HydrophobicContact CB-CG 3.92Å; W147-M156 HydrophobicContact CB-SD 3.92Å; W147-M156 HydrophobicContact CD2-CB 4.02Å; W147-M156 HydrophobicContact CD2-CG 3.77Å; W147-M156 VanDerWaalsContact CE2-CA 3.43Å; W147-M156 HydrophobicContact CE3-CG 3.99Å; W147-M156 HydrophobicContact CG-CB 3.9Å; W147-M156 HydrophobicContact CG-CG 3.72Å; W147-M156 HydrophobicContact CG-SD 4.35Å; W147-V157 HydrophobicContact CH2-CB 3.71Å; W147-V157 HydrophobicContact CH2-CG2 3.68Å; W147-V157 HydrophobicContact CZ2-CG2 4.17Å; W147-V157 HydrophobicContact CZ3-CB 4.07Å
148Y76.2Confident81.9Confident99 Ų9953 Ų5339%0.38829%0.291SS..Hα-helixtrans-56.1-38.9-173.7-172.1-94.5000114.4L64 F143 A150 G152 V153L64-Y148 HydrophobicContact CD1-CD2 3.47Å; L64-Y148 VanDerWaalsContact CD1-CD2 3.47Å; L64-Y148 HydrophobicContact CD1-CE2 3.45Å; L64-Y148 VanDerWaalsContact CD1-CE2 3.45Å; L64-Y148 HydrophobicContact CD1-CG 4.06Å; L64-Y148 HydrophobicContact CD2-CD2 4.43Å; L64-Y148 HydrophobicContact CD2-CE2 3.84Å; L64-Y148 HydrophobicContact CG-CE2 4.29Å; F143-Y148 HydrophobicContact CE1-CD2 4.13Å; F143-Y148 HydrophobicContact CZ-CD2 4.33Å; F143-Y148 WeakPolarHBondContact O-CB 3.46Å; F143-Y148 PolarHBondContact O-N 3.46Å; Y148-A150 VanDerWaalsContact C-N 3.29Å; Y148-A150 PolarHBondContact O-N 2.88Å; Y148-G152 VanDerWaalsContact CD2-C 3.46Å; Y148-G152 WeakPolarHBondContact CD2-O 3.39Å; Y148-G152 VanDerWaalsContact O-CA 3.23Å; Y148-G152 WeakPolarHBondContact O-CA 3.45Å; Y148-G152 PolarHBondContact O-N 3.1Å; Y148-V153 HydrophobicContact CE2-CG1 4.31Å
149P70.3Confident82Confident97 Ų9749.5 Ų49.563%0.6328%0.277SS*.Hα-helixtrans-62.8-32.6178.8-24.936.5000114.1K144 W147K144-P149 WeakPolarHBondContact O-CD 3.23Å; W147-P149 VanDerWaalsContact C-CD 3.42Å
150A75.7Confident82.2Confident64 Ų6449.4 Ų49.453%0.52928%0.276SS..Hα-helixtrans-94.9-35.5-177.700000112.7W147 Y148W147-A150 PolarHBondContact O-N 3.36Å; W147-A150 VanDerWaalsContact O-N 3.14Å; Y148-A150 VanDerWaalsContact C-N 3.29Å; Y148-A150 PolarHBondContact O-N 2.88Å
151H75.4Confident82.3Confident67 Ų6747.9 Ų47.931%0.3126%0.259SS..Hα-helixtrans-121.3-4.6-167.9-56.8-69.9000113.9D129 W147 V153 D154D129-H151 IonicContact OD1-CD2 3.29Å; D129-H151 IonicContact OD1-CE1 2.75Å; D129-H151 IonicContact OD1-NE2 3.73Å; D129-H151 PolarHBondContact OD1-NE2 3.31Å; W147-H151 HydrophobicContact CD2-CB 4.08Å; W147-H151 AromaticContact CD2-CD2 3.56Å; W147-H151 AromaticContact CE2-CD2 3.7Å; W147-H151 AromaticContact CE2-CG 3.72Å; W147-H151 AromaticContact CE3-CD2 3.54Å; W147-H151 HydrophobicContact CG-CB 4.35Å; W147-H151 AromaticContact CH2-CD2 3.84Å; W147-H151 HydrophobicContact CZ2-CB 3.85Å; W147-H151 AromaticContact CZ2-CD2 3.87Å; W147-H151 AromaticContact CZ2-CG 3.75Å; W147-H151 AromaticContact CZ3-CD2 3.69Å; W147-H151 AromaticContact CZ3-NE2 3.91Å; W147-H151 PolarHBondContact O-N 3.09Å; H151-V153 PolarHBondContact O-N 3.25Å; H151-D154 WeakPolarHBondContact O-CB 3.38Å; H151-D154 PolarHBondContact O-N 2.87Å
152G74.7Confident82.3Confident24 Ų2447.3 Ų47.325%0.24726%0.257CS..THydrogen-bonded Turntrans61.7-132.4-179.100000113.2Y148 D154Y148-G152 VanDerWaalsContact CD2-C 3.46Å; Y148-G152 WeakPolarHBondContact CD2-O 3.39Å; Y148-G152 VanDerWaalsContact O-CA 3.23Å; Y148-G152 WeakPolarHBondContact O-CA 3.45Å; Y148-G152 PolarHBondContact O-N 3.1Å; G152-D154 VanDerWaalsContact C-N 3.3Å; G152-D154 PolarHBondContact O-N 3.2Å
153V76.8Confident82.3Confident107 Ų10753.4 Ų53.465%0.64828%0.28SS*.THydrogen-bonded Turntrans-83.81.9-177-103.40000114.1L64 Y148 H151L64-V153 HydrophobicContact CD2-CG1 3.65Å; Y148-V153 HydrophobicContact CE2-CG1 4.31Å; H151-V153 PolarHBondContact O-N 3.25Å
154D82.6Confident81.8Confident103 Ų10355.8 Ų55.855%0.55131%0.305SS*.SBendtrans-64.3150.6179.6-73.7-15.6000111.5W147 H151 G152 M156W147-D154 PolarHBondContact NE1-O 2.95Å; H151-D154 WeakPolarHBondContact O-CB 3.38Å; H151-D154 PolarHBondContact O-N 2.87Å; G152-D154 VanDerWaalsContact C-N 3.3Å; G152-D154 PolarHBondContact O-N 3.2Å; D154-M156 PolarHBondContact O-N 2.86Å
155P85.2Confident81.5Confident54 Ų5455.7 Ų55.735%0.35131%0.308SS..PPolyproline II helixtrans-56.8126.1-177.9-23.432.9000112.2K68 W147 V157K68-P155 HydrophobicContact CB-CB 3.91Å; K68-P155 HydrophobicContact CB-CG 4.18Å; K68-P155 CarbonylContact O-C 3.52Å; K68-P155 VanDerWaalsContact O-CA 3.29Å; K68-P155 WeakPolarHBondContact O-CA 2.98Å; W147-P155 WeakPolarHBondContact CZ2-O 3.28Å; P155-V157 PolarHBondContact O-N 2.85Å
156M89.4Confident81Confident0 Ų055.6 Ų55.60%032%0.315CS..EExtended strand (participates in β ladder)trans-66.8118.1-179-175.7171.166.300111.8F67 K68 V69 N70 V128 V139 V142 F143 W147 D154 I158F67-M156 HydrophobicContact CE2-CE 3.99Å; K68-M156 PolarHBondContact O-N 3.28Å; V69-M156 CarbonylContact C-O 3.56Å; V69-M156 WeakPolarHBondContact CA-O 3.49Å; V69-M156 HydrophobicContact CG1-CE 4.42Å; V69-M156 HydrophobicContact CG2-CE 4.04Å; N70-M156 PolarHBondContact N-O 3.44Å; V128-M156 HydrophobicContact CG1-CG 3.97Å; V128-M156 HydrophobicContact CG1-SD 3.94Å; V128-M156 HydrophobicContact CG2-SD 4.48Å; V139-M156 HydrophobicContact CG1-CE 3.85Å; V142-M156 HydrophobicContact CG1-SD 4.16Å; F143-M156 HydrophobicContact CB-CE 4.36Å; F143-M156 HydrophobicContact CB-SD 3.97Å; F143-M156 HydrophobicContact CD2-CB 3.79Å; F143-M156 HydrophobicContact CD2-CG 4.33Å; F143-M156 HydrophobicContact CD2-SD 3.96Å; F143-M156 HydrophobicContact CE2-CB 4.14Å; W147-M156 HydrophobicContact CB-CB 4.47Å; W147-M156 HydrophobicContact CB-CG 3.92Å; W147-M156 HydrophobicContact CB-SD 3.92Å; W147-M156 HydrophobicContact CD2-CB 4.02Å; W147-M156 HydrophobicContact CD2-CG 3.77Å; W147-M156 VanDerWaalsContact CE2-CA 3.43Å; W147-M156 HydrophobicContact CE3-CG 3.99Å; W147-M156 HydrophobicContact CG-CB 3.9Å; W147-M156 HydrophobicContact CG-CG 3.72Å; W147-M156 HydrophobicContact CG-SD 4.35Å; D154-M156 PolarHBondContact O-N 2.86Å; M156-I158 HydrophobicContact CE-CD1 4.07Å; M156-I158 HydrophobicContact CE-CG1 4.24Å
157V90.9Very high80.6Confident35 Ų3556.7 Ų56.721%0.21233%0.33CS..EExtended strand (participates in β ladder)trans-88.8116.3178.6-1740000109.8N70 E72 W147 P155 V159N70-V157 HydrophobicContact CB-CG2 4.34Å; N70-V157 CarbonylContact O-C 3.59Å; N70-V157 WeakPolarHBondContact O-CA 3.44Å; E72-V157 HydrophobicContact CB-CG1 4.38Å; E72-V157 HydrophobicContact CG-CG1 4.05Å; W147-V157 HydrophobicContact CH2-CB 3.71Å; W147-V157 HydrophobicContact CH2-CG2 3.68Å; W147-V157 HydrophobicContact CZ2-CG2 4.17Å; W147-V157 HydrophobicContact CZ3-CB 4.07Å; P155-V157 PolarHBondContact O-N 2.85Å; V157-V159 HydrophobicContact CG1-CG2 4.13Å
158I92.7Very high80.1Confident0 Ų063.4 Ų63.40%037%0.368CS..EExtended strand (participates in β ladder)trans-103.4114.8172.7-55.8177.8000108.2V69 N70 I71 E72 M101 I104 L126 L127 V128 M156V69-I158 HydrophobicContact CG1-CD1 3.38Å; V69-I158 HydrophobicContact CG1-CG1 3.83Å; N70-I158 PolarHBondContact O-N 3.13Å; I71-I158 WeakPolarHBondContact CA-O 3.4Å; E72-I158 PolarHBondContact N-O 3.42Å; M101-I158 HydrophobicContact CE-CD1 4Å; M101-I158 HydrophobicContact CE-CG2 4.31Å; M101-I158 HydrophobicContact SD-CD1 4.43Å; I104-I158 HydrophobicContact CD1-CD1 3.43Å; I104-I158 VanDerWaalsContact CD1-CD1 3.43Å; I104-I158 HydrophobicContact CG2-CD1 4.07Å; L126-I158 HydrophobicContact CB-CG2 4.06Å; L126-I158 HydrophobicContact CD2-CG2 4.22Å; L127-I158 CarbonylContact O-C 3.58Å; L127-I158 WeakPolarHBondContact O-CA 3.48Å; V128-I158 HydrophobicContact CG2-CG1 3.97Å; M156-I158 HydrophobicContact CE-CD1 4.07Å; M156-I158 HydrophobicContact CE-CG1 4.24Å
159V90.6Very high79.8Confident36 Ų3660.6 Ų60.622%0.21837%0.365CS..EExtended strand (participates in β ladder)trans-96.6121.4176.9-176.90000109.2E72 D74 L127 V157E72-V159 CarbonylContact O-C 3.52Å; E72-V159 VanDerWaalsContact O-CA 3.28Å; E72-V159 WeakPolarHBondContact O-CA 3.25Å; D74-V159 HydrophobicContact CB-CG1 3.89Å; L127-V159 HydrophobicContact CB-CB 4.31Å; L127-V159 PolarHBondContact N-O 2.87Å; L127-V159 PolarHBondContact O-N 3.4Å; V157-V159 HydrophobicContact CG1-CG2 4.13Å
160Y90.2Very high80.2Confident3 Ų362.4 Ų62.41%0.01237%0.374CS..EExtended strand (participates in β ladder)trans-105.1143.4178.572.5-85.7000112.4I71 E72 K73 D74 L81 I108 M124 E125I71-Y160 HydrophobicContact CG2-CD1 3.64Å; I71-Y160 HydrophobicContact CG2-CE1 3.85Å; E72-Y160 WeakPolarHBondContact O-CD1 3.44Å; E72-Y160 WeakPolarHBondContact O-CE1 3.48Å; E72-Y160 PolarHBondContact O-N 3.44Å; K73-Y160 HydrophobicContact CB-CE1 4.42Å; K73-Y160 WeakPolarHBondContact CE-OH 3.18Å; K73-Y160 HydrophobicContact CG-CE1 3.67Å; K73-Y160 HydrophobicContact CG-CE2 4.04Å; K73-Y160 WeakPolarHBondContact CG-OH 3.19Å; D74-Y160 PolarHBondContact N-O 3.05Å; L81-Y160 HydrophobicContact CD1-CD2 4.13Å; L81-Y160 HydrophobicContact CD1-CE2 3.97Å; L81-Y160 HydrophobicContact CD2-CD2 4.47Å; L81-Y160 HydrophobicContact CD2-CE2 4.21Å; L81-Y160 HydrophobicContact CG-CE2 4.49Å; I108-Y160 HydrophobicContact CD1-CD1 4.09Å; I108-Y160 HydrophobicContact CD1-CG 4.13Å; I108-Y160 HydrophobicContact CG2-CD1 4.26Å; I108-Y160 HydrophobicContact CG2-CD2 3.85Å; I108-Y160 HydrophobicContact CG2-CE1 4.25Å; I108-Y160 HydrophobicContact CG2-CE2 3.79Å; I108-Y160 HydrophobicContact CG2-CG 4.06Å; M124-Y160 HydrophobicContact CE-CD2 4.04Å; M124-Y160 HydrophobicContact SD-CD2 4.12Å; E125-Y160 WeakPolarHBondContact O-CA 3.33Å
161R86.8Confident80.4Confident22 Ų2262 Ų628%0.08336%0.361CS..EExtended strand (participates in β ladder)trans-150.9160178.973.9-175.1-172.9-174.9-1.6113.1D74 M124 E125 L127 E171D74-R161 HydrophobicContact CB-CB 3.67Å; D74-R161 WeakPolarHBondContact OD2-CD 3.46Å; D74-R161 IonicContact OD2-NH1 4Å; M124-R161 WeakPolarHBondContact CA-O 3.28Å; M124-R161 WeakPolarHBondContact CG-O 3.16Å; E125-R161 HydrophobicContact CB-CG 4.18Å; E125-R161 PolarHBondContact N-O 2.96Å; E125-R161 PolarHBondContact O-N 3.26Å; E125-R161 IonicContact OE2-CZ 3.97Å; E125-R161 IonicContact OE2-NE 3.58Å; E125-R161 PolarHBondContact OE2-NE 3.19Å; E125-R161 VanDerWaalsContact OE2-NE 3.07Å; E125-R161 IonicContact OE2-NH2 3.67Å; E125-R161 PolarHBondContact OE2-NH2 3.05Å; E125-R161 VanDerWaalsContact OE2-NH2 3.15Å; L127-R161 HydrophobicContact CD1-CG 3.87Å; R161-E171 IonicContact CZ-OE1 3.7Å; R161-E171 IonicContact CZ-OE2 3.56Å; R161-E171 IonicContact NH1-OE1 3.32Å; R161-E171 PolarHBondContact NH1-OE1 2.86Å; R161-E171 IonicContact NH1-OE2 3.68Å; R161-E171 IonicContact NH2-OE1 4Å; R161-E171 PolarHBondContact NH2-OE1 2.79Å; R161-E171 VanDerWaalsContact NH2-OE1 3.17Å; R161-E171 IonicContact NH2-OE2 2.88Å; R161-E171 PolarHBondContact NH2-OE2 3.36Å
162M83.3Confident80.8Confident46 Ų4664.2 Ų64.223%0.22737%0.372CS..EExtended strand (participates in β ladder)trans-79.4137.2170.6-72.2-169.1-91.600110.6Q77 F80 L81 L117 G123 L165Q77-M162 PolarHBondContact NE2-O 3.2Å; Q77-M162 PolarHBondContact OE1-O 3.08Å; F80-M162 HydrophobicContact CB-CE 3.71Å; L81-M162 HydrophobicContact CD2-CE 3.95Å; L81-M162 HydrophobicContact CD2-CG 3.86Å; L81-M162 HydrophobicContact CG-CE 4.49Å; L117-M162 HydrophobicContact CD1-CG 4.31Å; G123-M162 WeakPolarHBondContact O-CA 3.45Å; M162-L165 HydrophobicContact CB-CD1 3.68Å; M162-L165 HydrophobicContact CB-CG 3.95Å; M162-L165 HydrophobicContact CE-CD1 3.54Å; M162-L165 HydrophobicContact CG-CD1 4.35Å; M162-L165 HydrophobicContact SD-CD1 4.18Å
163R83.4Confident81.2Confident128 Ų12866.6 Ų66.648%0.48338%0.376SS..THydrogen-bonded Turntrans-70.3132.5-179.8-172.8165.2-169.9-169.80.4111.1N122 G123 E125 L165N122-R163 WeakPolarHBondContact O-CB 3.31Å; N122-R163 VanDerWaalsContact O-CD 3.25Å; N122-R163 WeakPolarHBondContact O-CD 3.33Å; G123-R163 PolarHBondContact O-N 2.86Å; E125-R163 HydrophobicContact CG-CB 4.09Å; E125-R163 HydrophobicContact CG-CG 4.26Å; E125-R163 WeakPolarHBondContact OE1-CD 3.49Å; E125-R163 VanDerWaalsContact OE1-CG 3.26Å; E125-R163 WeakPolarHBondContact OE1-CG 3.44Å; E125-R163 IonicContact OE1-NE 2.67Å; E125-R163 PolarHBondContact OE1-NE 3.32Å; R163-L165 VanDerWaalsContact C-N 3.34Å; R163-L165 PolarHBondContact O-N 2.96Å
164G74.6Confident81.6Confident53 Ų5362.4 Ų62.455%0.54635%0.35SS..THydrogen-bonded Turntrans80.32.5169.300000116.4G167G164-G167 WeakPolarHBondContact CA-O 3.44Å
165L70.7Confident81.4Confident77 Ų7764.3 Ų64.340%0.40336%0.356SS..THydrogen-bonded Turntrans-67.2-40.9179.4-83.3-174.7000113.2F80 M162 R163F80-L165 HydrophobicContact CB-CD1 3.91Å; F80-L165 HydrophobicContact CD2-CD1 4.16Å; F80-L165 HydrophobicContact CG-CD1 3.98Å; M162-L165 HydrophobicContact CB-CD1 3.68Å; M162-L165 HydrophobicContact CB-CG 3.95Å; M162-L165 HydrophobicContact CE-CD1 3.54Å; M162-L165 HydrophobicContact CG-CD1 4.35Å; M162-L165 HydrophobicContact SD-CD1 4.18Å; R163-L165 VanDerWaalsContact C-N 3.34Å; R163-L165 PolarHBondContact O-N 2.96Å
166L66.9Low80.9Confident115 Ų11563.5 Ų63.560%0.60236%0.357SS*.THydrogen-bonded Turntrans-100.613.2-178.2-60.6176.7000112.7A76 Q77A76-L166 HydrophobicContact CB-CD1 3.51Å; Q77-L166 HydrophobicContact CG-CD1 3.91Å; Q77-L166 HydrophobicContact CG-CG 4.26Å
167G72.5Confident79.9Confident41 Ų4165.1 Ų65.142%0.42336%0.364SS..SBendtrans108.7-165.9-174.100000113.1G164G164-G167 WeakPolarHBondContact CA-O 3.44Å
168D73.6Confident77.9Confident160 Ų16071.3 Ų71.386%0.85640%0.396SS*.SBendtrans-71.6141.3-179.3-67.4-33.7000110.8T170D168-T170 PolarHBondContact O-N 2.65Å
169A70.3Confident75.4Confident41 Ų4173.7 Ų73.734%0.33942%0.421SS..  trans-62.5122.9177.500000110.8I132 F173I132-A169 HydrophobicContact CD1-CB 3.67Å; A169-F173 HydrophobicContact CB-CE2 3.7Å; A169-F173 HydrophobicContact CB-CZ 3.76Å
170T77.3Confident72.8Confident134 Ų13477.8 Ų77.882%0.82245%0.451SS*.  trans-98.6-11176.451.70000112.7D168D168-T170 PolarHBondContact O-N 2.65Å
171E79.8Confident70.3Confident55 Ų5583.3 Ų83.326%0.25749%0.485SS..SBendtrans-75.7157.4-178.9-60.286.616500112.6L127 G130 I132 R161L127-E171 HydrophobicContact CD2-CG 4.2Å; G130-E171 WeakPolarHBondContact O-CB 3.43Å; G130-E171 WeakPolarHBondContact O-CG 3.47Å; I132-E171 HydrophobicContact CD1-CB 3.98Å; I132-E171 HydrophobicContact CG1-CB 4.05Å; R161-E171 IonicContact CZ-OE1 3.7Å; R161-E171 IonicContact CZ-OE2 3.56Å; R161-E171 IonicContact NH1-OE1 3.32Å; R161-E171 PolarHBondContact NH1-OE1 2.86Å; R161-E171 IonicContact NH1-OE2 3.68Å; R161-E171 IonicContact NH2-OE1 4Å; R161-E171 PolarHBondContact NH2-OE1 2.79Å; R161-E171 VanDerWaalsContact NH2-OE1 3.17Å; R161-E171 IonicContact NH2-OE2 2.88Å; R161-E171 PolarHBondContact NH2-OE2 3.36Å
172E83.9Confident67.9Low115 Ų11590.6 Ų90.654%0.53752%0.52SS..PPolyproline II helixtrans-69.1131.3177.9-169.3-173.8169.900110.9K131 I132K131-E172 CarbonylContact C-O 3.53Å; K131-E172 WeakPolarHBondContact CE-OE2 3.34Å; K131-E172 HydrophobicContact CG-CB 4.35Å; K131-E172 IonicContact NZ-OE1 3.48Å; K131-E172 IonicContact NZ-OE2 3.55Å; K131-E172 PolarHBondContact NZ-OE2 3.25Å; I132-E172 PolarHBondContact N-O 3.43Å
173F83.7Confident65.7Low74 Ų7495.8 Ų95.833%0.32554%0.537SS..EExtended strand (participates in β ladder)trans-93.1122.5174.5-79.8-94.5000111.6I132 A169I132-F173 HydrophobicContact CB-CD1 3.89Å; I132-F173 HydrophobicContact CB-CE1 3.95Å; I132-F173 HydrophobicContact CB-CG 4.31Å; I132-F173 HydrophobicContact CB-CZ 4.4Å; I132-F173 HydrophobicContact CD1-CD1 4.38Å; I132-F173 HydrophobicContact CD1-CD2 4.25Å; I132-F173 HydrophobicContact CD1-CE1 3.81Å; I132-F173 HydrophobicContact CD1-CE2 3.65Å; I132-F173 HydrophobicContact CD1-CZ 3.39Å; I132-F173 HydrophobicContact CG1-CE1 4.49Å; I132-F173 HydrophobicContact CG1-CZ 4.5Å; I132-F173 HydrophobicContact CG2-CD1 3.69Å; I132-F173 HydrophobicContact CG2-CE1 3.49Å; I132-F173 VanDerWaalsContact CG2-CE1 3.49Å; I132-F173 HydrophobicContact CG2-CZ 4.25Å; I132-F173 WeakPolarHBondContact O-CA 3.39Å; A169-F173 HydrophobicContact CB-CE2 3.7Å; A169-F173 HydrophobicContact CB-CZ 3.76Å
174V84.6Confident63.5Low18 Ų1893.8 Ų93.811%0.10954%0.543CS..EExtended strand (participates in β ladder)trans-98.393.8173.7-173.10000108.8K131 I132 I133 S134 L137 F177K131-V174 HydrophobicContact CB-CG2 4.04Å; K131-V174 HydrophobicContact CD-CG2 4.13Å; I132-V174 PolarHBondContact O-N 2.71Å; I133-V174 HydrophobicContact CD1-CB 3.87Å; I133-V174 HydrophobicContact CD1-CG2 3.85Å; S134-V174 WeakPolarHBondContact CB-O 3.28Å; S134-V174 PolarHBondContact N-O 2.79Å; L137-V174 HydrophobicContact CD1-CG1 3.91Å; L137-V174 VanDerWaalsContact CD1-O 3.32Å; L137-V174 WeakPolarHBondContact CD1-O 3.34Å; V174-F177 HydrophobicContact CG1-CD1 4.08Å; V174-F177 HydrophobicContact CG1-CE1 3.6Å; V174-F177 HydrophobicContact CG1-CZ 4.1Å
175H80.1Confident61.9Low144 Ų14499.3 Ų99.367%0.66755%0.554SS**  trans-81.2-20179.9-69.6-60.7000114.2
176G74Confident60.5Low36 Ų3698.6 Ų98.637%0.37156%0.555SS.*  trans175.1148.5-172.200000110.7N178G176-N178 PolarHBondContact O-N 3.23Å
177F67.1Low59.4Low34 Ų3496.7 Ų96.715%0.14954%0.543CS..SBendtrans-92.150.2175.6-50.2-72.6000111.8L137 E141 V142 R145 V146 V174L137-F177 HydrophobicContact CB-CE2 4.37Å; L137-F177 HydrophobicContact CD1-CE2 3.9Å; L137-F177 HydrophobicContact CD1-CZ 4.01Å; L137-F177 HydrophobicContact CD2-CD2 3.74Å; L137-F177 HydrophobicContact CD2-CE2 3.73Å; L137-F177 HydrophobicContact CG-CE2 4.22Å; E141-F177 HydrophobicContact CB-CD2 3.84Å; E141-F177 HydrophobicContact CB-CE2 3.65Å; V142-F177 HydrophobicContact CB-CZ 4.36Å; V142-F177 HydrophobicContact CG2-CE2 4.01Å; V142-F177 HydrophobicContact CG2-CZ 3.85Å; R145-F177 HydrophobicContact CB-CD1 4.01Å; R145-F177 HydrophobicContact CB-CE1 3.89Å; R145-F177 HydrophobicContact CB-CZ 4.4Å; R145-F177 HydrophobicContact CG-CD1 4.42Å; R145-F177 PolarHBondContact NH1-O 3.33Å; V146-F177 HydrophobicContact CG2-CE1 3.66Å; V146-F177 HydrophobicContact CG2-CZ 3.92Å; V174-F177 HydrophobicContact CG1-CD1 4.08Å; V174-F177 HydrophobicContact CG1-CE1 3.6Å; V174-F177 HydrophobicContact CG1-CZ 4.1Å
178N49.7Very low57.9Low165 Ų165102.5 Ų102.588%0.88256%0.56SS**  trans-100.210.5178.4-71.4-9.6000113G176G176-N178 PolarHBondContact O-N 3.23Å
179G41.3Very low56.4Low51 Ų51102.8 Ų102.853%0.52655%0.554SS.*SBendtrans-81132.517500000111.4V181G179-V181 PolarHBondContact O-N 2.81Å
180S35.1Very low55.4Low122 Ų122102 Ų10285%0.85354%0.544SS*.  trans-65.451.9168.651.50000112.4E182S180-E182 PolarHBondContact O-N 2.83Å
181V37.5Very low54.3Low118 Ų11896.3 Ų96.372%0.71551%0.508SS*.  trans-71101171.9-176.30000106.9G179 R183G179-V181 PolarHBondContact O-N 2.81Å; V181-R183 PolarHBondContact O-N 2.92Å
182E35.6Very low53.2Low175 Ų17593.7 Ų93.782%0.81850%0.496SS*.  trans25.872146-63.3-177.3162.200114.4S180 S184S180-E182 PolarHBondContact O-N 2.83Å; E182-S184 PolarHBondContact O-N 3.49Å
183R38.9Very low52Low155 Ų15593.8 Ų93.859%0.58549%0.492SS*.  trans-73.352.1175.1-67.7178.6173.3177.2-5.8112.2V181V181-R183 PolarHBondContact O-N 2.92Å
184S37.4Very low50.9Low87 Ų8791.5 Ų91.561%0.60848%0.483SS*.  trans-84.1-17.9174.9520000113.7E182E182-S184 PolarHBondContact O-N 3.49Å
185E39.3Very low50.3Low169 Ų16990.7 Ų90.779%0.7948%0.478SS*.THydrogen-bonded Turntrans-90.6-21-175-69.2-174.8169.800114.6E187E185-E187 PolarHBondContact O-N 2.96Å
186S42Very low50.1Low61 Ų6186.1 Ų86.143%0.42746%0.46SS..Hα-helixtrans-70.2-12.8175.246.10000113.6N190S186-N190 WeakPolarHBondContact O-CB 3.34Å; S186-N190 PolarHBondContact O-N 3.05Å
187E43.3Very low50.2Low76 Ų7688 Ų8836%0.35547%0.466SS..Hα-helixtrans-77.1-30.4178.7-69.6-163.3151.200113.2E185 K235E185-E187 PolarHBondContact O-N 2.96Å; E187-K235 WeakPolarHBondContact OE1-CB 3.18Å; E187-K235 PolarHBondContact OE1-N 3.25Å
188E40.6Very low51Low163 Ų16389.5 Ų89.576%0.76248%0.476SS*.Hα-helixtrans-74.8-34.9-178.9-70.8-167.2164.600112.7
189F42.7Very low52.7Low166 Ų16681.8 Ų81.873%0.72844%0.435SS*.Hα-helixtrans-91.1-21-179.2-84.3-86.6000114.2L191F189-L191 PolarHBondContact O-N 2.85Å; F189-L191 VanDerWaalsContact O-N 3.13Å
190N49.3Very low55Low24 Ų2479.4 Ų79.413%0.12841%0.409CS..  trans-85.794.9-178.4-162.6-20.1000109.5S186 S192 Y193 K233S186-N190 WeakPolarHBondContact O-CB 3.34Å; S186-N190 PolarHBondContact O-N 3.05Å; N190-S192 PolarHBondContact O-N 3.23Å; N190-S192 PolarHBondContact O-OG 3.22Å; N190-S192 WeakPolarHBondContact OD1-CB 3.34Å; N190-S192 PolarHBondContact OD1-N 3.21Å; N190-S192 PolarHBondContact OD1-OG 2.99Å; N190-Y193 VanDerWaalsContact O-CD1 3.29Å; N190-Y193 WeakPolarHBondContact O-CD1 3.38Å; N190-Y193 PolarHBondContact O-N 3.27Å; N190-K233 WeakPolarHBondContact ND2-CD 3.46Å
191L54.3Low57.6Low14 Ų1475.3 Ų75.37%0.07338%0.379CS..G310 helixtrans-52.4-6.1178.7-63.1163.7000114.3L24 I57 D58 F189 Y193 L194L24-L191 HydrophobicContact CD2-CB 3.95Å; L24-L191 HydrophobicContact CD2-CD1 3.59Å; L24-L191 HydrophobicContact CD2-CD2 3.91Å; L24-L191 HydrophobicContact CD2-CG 4Å; I57-L191 HydrophobicContact CG2-CB 4.27Å; D58-L191 HydrophobicContact CB-CD1 4.28Å; F189-L191 PolarHBondContact O-N 2.85Å; F189-L191 VanDerWaalsContact O-N 3.13Å; L191-Y193 HydrophobicContact CD2-CE1 4.33Å; L191-Y193 PolarHBondContact O-N 2.67Å; L191-L194 HydrophobicContact CB-CD1 4.22Å; L191-L194 HydrophobicContact CD2-CD1 4.26Å; L191-L194 WeakPolarHBondContact O-CB 3.25Å; L191-L194 WeakPolarHBondContact O-CD1 3.31Å; L191-L194 WeakPolarHBondContact O-CG 3.49Å; L191-L194 PolarHBondContact O-N 2.97Å
192S55.8Low60Low0 Ų069.9 Ų69.90%035%0.347CS..G310 helixtrans-59.7-14.7168.557.70000114.9N190 L194 F195 C230 V234 N237N190-S192 PolarHBondContact O-N 3.23Å; N190-S192 PolarHBondContact O-OG 3.22Å; N190-S192 WeakPolarHBondContact OD1-CB 3.34Å; N190-S192 PolarHBondContact OD1-N 3.21Å; N190-S192 PolarHBondContact OD1-OG 2.99Å; S192-L194 PolarHBondContact O-N 3.33Å; S192-L194 VanDerWaalsContact O-N 3.12Å; S192-F195 WeakPolarHBondContact O-CD2 3.39Å; S192-F195 PolarHBondContact O-N 2.97Å; S192-C230 PolarHBondContact OG-O 2.97Å; S192-V234 WeakPolarHBondContact OG-CG2 3.44Å; S192-N237 PolarHBondContact O-ND2 3.07Å
193Y58.7Low62.6Low117 Ų11761.6 Ų61.646%0.45931%0.308SS..G310 helixtrans-60.7-18.7168.171.3-97.4000112.8N190 L191 F195N190-Y193 VanDerWaalsContact O-CD1 3.29Å; N190-Y193 WeakPolarHBondContact O-CD1 3.38Å; N190-Y193 PolarHBondContact O-N 3.27Å; L191-Y193 HydrophobicContact CD2-CE1 4.33Å; L191-Y193 PolarHBondContact O-N 2.67Å; Y193-F195 PolarHBondContact O-N 3.18Å
194L61.2Low65.2Low26 Ų2654.2 Ų54.214%0.13628%0.28CS..G310 helixtrans-73.8-7.6178-61.3174.8000114.1L24 P25 L28 L191 S192 T196L24-L194 HydrophobicContact CB-CD1 4.05Å; L24-L194 HydrophobicContact CD2-CD1 3.43Å; L24-L194 VanDerWaalsContact CD2-CD1 3.43Å; L24-L194 HydrophobicContact CG-CD1 3.62Å; P25-L194 HydrophobicContact CB-CD2 4.19Å; P25-L194 HydrophobicContact CG-CD2 3.75Å; L28-L194 HydrophobicContact CD1-CB 3.48Å; L28-L194 VanDerWaalsContact CD1-CB 3.48Å; L28-L194 HydrophobicContact CD1-CD1 4.15Å; L28-L194 HydrophobicContact CD1-CG 4.48Å; L191-L194 HydrophobicContact CB-CD1 4.22Å; L191-L194 HydrophobicContact CD2-CD1 4.26Å; L191-L194 WeakPolarHBondContact O-CB 3.25Å; L191-L194 WeakPolarHBondContact O-CD1 3.31Å; L191-L194 WeakPolarHBondContact O-CG 3.49Å; L191-L194 PolarHBondContact O-N 2.97Å; S192-L194 PolarHBondContact O-N 3.33Å; S192-L194 VanDerWaalsContact O-N 3.12Å; L194-T196 PolarHBondContact O-N 2.86Å
195F72.8Confident67.6Low2 Ų254.2 Ų54.21%0.00927%0.271CS..  trans-67.9104.3174.6-68.3-59.1000110.8M53 I57 S192 Y193 C199 L200 M203 L227 A231 N237 K240M53-F195 HydrophobicContact CE-CE1 4.23Å; I57-F195 HydrophobicContact CD1-CE1 3.74Å; I57-F195 HydrophobicContact CD1-CE2 3.75Å; I57-F195 HydrophobicContact CD1-CZ 3.13Å; S192-F195 WeakPolarHBondContact O-CD2 3.39Å; S192-F195 PolarHBondContact O-N 2.97Å; Y193-F195 PolarHBondContact O-N 3.18Å; F195-C199 HydrophobicContact CD1-CB 4.4Å; F195-L200 HydrophobicContact CB-CD2 4.12Å; F195-L200 HydrophobicContact CB-CG 4.26Å; F195-L200 HydrophobicContact CG-CD2 4.43Å; F195-M203 HydrophobicContact CD1-SD 4.27Å; F195-M203 HydrophobicContact CE1-SD 4.09Å; F195-L227 HydrophobicContact CE1-CD2 4.38Å; F195-L227 HydrophobicContact CZ-CB 4.22Å; F195-L227 HydrophobicContact CZ-CD2 3.91Å; F195-A231 HydrophobicContact CD2-CB 3.62Å; F195-A231 HydrophobicContact CE2-CB 3.69Å; F195-A231 HydrophobicContact CG-CB 4.47Å; F195-N237 PolarHBondContact O-OD1 2.9Å; F195-K240 PolarHBondContact O-NZ 2.9Å
196T75.9Confident69.8Low48 Ų4846.4 Ų46.429%0.29423%0.234SC..  trans-64.9153.2170.761.30000109.9L194 D198 C199 L200L194-T196 PolarHBondContact O-N 2.86Å; T196-D198 PolarHBondContact O-N 3.07Å; T196-D198 VanDerWaalsContact O-N 3.14Å; T196-C199 WeakPolarHBondContact O-CB 3.34Å; T196-C199 PolarHBondContact O-N 3.31Å; T196-C199 PolarHBondContact OG1-N 3.01Å; T196-L200 PolarHBondContact O-N 3.4Å
197P76.6Confident72.1Confident74 Ų7443.5 Ų43.548%0.48121%0.214SC..Hα-helixtrans-51.1-38.2173.9-24.231.9000111.9L200 T201 K240P197-L200 PolarHBondContact O-N 3.27Å; P197-T201 PolarHBondContact O-N 3.22Å; P197-T201 PolarHBondContact O-OG1 2.87Å; P197-K240 HydrophobicContact CB-CD 4.34Å; P197-K240 HydrophobicContact CG-CD 3.91Å; P197-K240 HydrophobicContact CG-CG 4.44Å
198D82.4Confident74.2Confident67 Ų6744.6 Ų44.636%0.35822%0.218SC..Hα-helixtrans-63.7-41.5178.3-166.126.2000113.1R36 T196 L200 T201 V202R36-D198 IonicContact CZ-OD1 3.34Å; R36-D198 IonicContact CZ-OD2 2.76Å; R36-D198 IonicContact NH1-OD2 3.43Å; R36-D198 IonicContact NH2-OD1 2.69Å; R36-D198 PolarHBondContact NH2-OD1 3.11Å; R36-D198 IonicContact NH2-OD2 3.62Å; R36-D198 PolarHBondContact NH2-OD2 3.14Å; T196-D198 PolarHBondContact O-N 3.07Å; T196-D198 VanDerWaalsContact O-N 3.14Å; D198-L200 VanDerWaalsContact C-N 3.34Å; D198-L200 PolarHBondContact O-N 3.32Å; D198-T201 PolarHBondContact O-N 2.96Å; D198-V202 WeakPolarHBondContact O-CG2 3.49Å; D198-V202 PolarHBondContact O-N 3.02Å
199C85.9Confident76.2Confident3 Ų341.4 Ų41.42%0.0220%0.202CC..Hα-helixtrans-58.9-46173.7-172.50000111.7V32 F195 T196 T201 V202 M203V32-C199 HydrophobicContact CG2-CB 3.62Å; V32-C199 WeakPolarHBondContact CG2-SG 3.28Å; F195-C199 HydrophobicContact CD1-CB 4.4Å; T196-C199 WeakPolarHBondContact O-CB 3.34Å; T196-C199 PolarHBondContact O-N 3.31Å; T196-C199 PolarHBondContact OG1-N 3.01Å; C199-T201 VanDerWaalsContact C-N 3.35Å; C199-T201 PolarHBondContact O-N 3.44Å; C199-V202 PolarHBondContact O-N 2.97Å; C199-M203 WeakPolarHBondContact O-CB 3.48Å; C199-M203 WeakPolarHBondContact O-CG 3.49Å; C199-M203 PolarHBondContact O-N 2.78Å; C199-M203 VanDerWaalsContact SG-SD 3.64Å
200L89.8Confident78Confident0 Ų034.4 Ų34.40%017%0.172CC..Hα-helixtrans-64-40.8179.5-63.7172.4000111.5F195 T196 P197 D198 M203 L204 A231 N237 K240 L241F195-L200 HydrophobicContact CB-CD2 4.12Å; F195-L200 HydrophobicContact CB-CG 4.26Å; F195-L200 HydrophobicContact CG-CD2 4.43Å; T196-L200 PolarHBondContact O-N 3.4Å; P197-L200 PolarHBondContact O-N 3.27Å; D198-L200 VanDerWaalsContact C-N 3.34Å; D198-L200 PolarHBondContact O-N 3.32Å; L200-M203 HydrophobicContact CD2-SD 4.49Å; L200-M203 PolarHBondContact O-N 3.43Å; L200-L204 WeakPolarHBondContact O-CB 3.09Å; L200-L204 WeakPolarHBondContact O-CG 3.5Å; L200-L204 PolarHBondContact O-N 2.99Å; L200-A231 HydrophobicContact CD2-CB 4.05Å; L200-N237 HydrophobicContact CD1-CB 4.22Å; L200-K240 HydrophobicContact CD1-CB 3.98Å; L200-K240 HydrophobicContact CD1-CD 3.98Å; L200-L241 HydrophobicContact CB-CD2 4.23Å; L200-L241 HydrophobicContact CD1-CD2 4.46Å; L200-L241 HydrophobicContact CD1-CG 4.25Å; L200-L241 HydrophobicContact CD2-CD2 4.47Å
201T90.4Very high79.2Confident36 Ų3638.6 Ų38.622%0.22119%0.194CC..Hα-helixtrans-60-51.6175.2-56.40000111.3P197 D198 C199 M203 L204 E205 L246P197-T201 PolarHBondContact O-N 3.22Å; P197-T201 PolarHBondContact O-OG1 2.87Å; D198-T201 PolarHBondContact O-N 2.96Å; C199-T201 VanDerWaalsContact C-N 3.35Å; C199-T201 PolarHBondContact O-N 3.44Å; T201-M203 VanDerWaalsContact C-N 3.33Å; T201-M203 PolarHBondContact O-N 3.35Å; T201-L204 PolarHBondContact O-N 3.45Å; T201-L204 VanDerWaalsContact O-N 3.16Å; T201-E205 WeakPolarHBondContact O-CG 3.46Å; T201-E205 PolarHBondContact O-N 3.23Å; T201-L246 HydrophobicContact CG2-CD2 3.98Å; T201-L246 VanDerWaalsContact OG1-CD2 3.25Å; T201-L246 WeakPolarHBondContact OG1-CD2 3.43Å
202V87.8Confident80.2Confident5 Ų543.9 Ų43.93%0.0322%0.216CC..Hα-helixtrans-61.1-43.7178.5172.10000110.6V32 L35 R36 D198 C199 L204 E205 R206V32-V202 HydrophobicContact CG1-CB 4.21Å; V32-V202 HydrophobicContact CG1-CG2 3.84Å; L35-V202 HydrophobicContact CB-CG1 3.93Å; R36-V202 HydrophobicContact CG-CG1 4.42Å; R36-V202 HydrophobicContact CG-CG2 3.89Å; D198-V202 WeakPolarHBondContact O-CG2 3.49Å; D198-V202 PolarHBondContact O-N 3.02Å; C199-V202 PolarHBondContact O-N 2.97Å; V202-L204 VanDerWaalsContact C-N 3.33Å; V202-L204 PolarHBondContact O-N 3.24Å; V202-E205 PolarHBondContact O-N 3.04Å; V202-R206 HydrophobicContact CG1-CG 4.32Å; V202-R206 WeakPolarHBondContact O-CG 3.45Å; V202-R206 PolarHBondContact O-N 2.99Å
203M90.3Very high80.8Confident1 Ų146.6 Ų46.61%0.00523%0.234CC..Hα-helixtrans-58.2-43175.5-73.1168.362.600112.1F50 F195 C199 L200 T201 R206 L207 L224 L227 F228F50-M203 HydrophobicContact CE1-CG 4.18Å; F195-M203 HydrophobicContact CD1-SD 4.27Å; F195-M203 HydrophobicContact CE1-SD 4.09Å; C199-M203 WeakPolarHBondContact O-CB 3.48Å; C199-M203 WeakPolarHBondContact O-CG 3.49Å; C199-M203 PolarHBondContact O-N 2.78Å; C199-M203 VanDerWaalsContact SG-SD 3.64Å; L200-M203 HydrophobicContact CD2-SD 4.49Å; L200-M203 PolarHBondContact O-N 3.43Å; T201-M203 VanDerWaalsContact C-N 3.33Å; T201-M203 PolarHBondContact O-N 3.35Å; M203-R206 PolarHBondContact O-N 3.06Å; M203-L207 WeakPolarHBondContact O-CB 3.43Å; M203-L207 PolarHBondContact O-N 3.1Å; M203-L224 HydrophobicContact CB-CD1 3.83Å; M203-L224 HydrophobicContact CE-CD1 4.09Å; M203-L224 HydrophobicContact CG-CD1 3.98Å; M203-L227 HydrophobicContact CE-CB 3.49Å; M203-L227 VanDerWaalsContact CE-CB 3.49Å; M203-L227 HydrophobicContact CE-CD1 4.39Å; M203-F228 HydrophobicContact CB-CE1 4.07Å; M203-F228 HydrophobicContact CB-CE2 3.9Å; M203-F228 HydrophobicContact CB-CZ 3.43Å; M203-F228 VanDerWaalsContact CB-CZ 3.43Å; M203-F228 HydrophobicContact CE-CD1 3.89Å; M203-F228 HydrophobicContact CE-CD2 4.03Å; M203-F228 HydrophobicContact CE-CE1 3.93Å; M203-F228 HydrophobicContact CE-CE2 4.08Å; M203-F228 HydrophobicContact CE-CG 3.94Å; M203-F228 HydrophobicContact CE-CZ 4.03Å
204L92.1Very high81.2Confident0 Ų042.3 Ų42.30%022%0.22CC..Hα-helixtrans-69.6-39.6179.4-76172.9000112.3L200 T201 V202 R206 L207 E208 F228 L241 L246 A248 R251 F252L200-L204 WeakPolarHBondContact O-CB 3.09Å; L200-L204 WeakPolarHBondContact O-CG 3.5Å; L200-L204 PolarHBondContact O-N 2.99Å; T201-L204 PolarHBondContact O-N 3.45Å; T201-L204 VanDerWaalsContact O-N 3.16Å; V202-L204 VanDerWaalsContact C-N 3.33Å; V202-L204 PolarHBondContact O-N 3.24Å; L204-R206 VanDerWaalsContact C-N 3.3Å; L204-R206 PolarHBondContact O-N 3.23Å; L204-L207 HydrophobicContact CD2-CD2 4.43Å; L204-L207 WeakPolarHBondContact O-CB 3.19Å; L204-L207 PolarHBondContact O-N 3.05Å; L204-E208 PolarHBondContact O-N 3.1Å; L204-F228 HydrophobicContact CB-CZ 4.38Å; L204-F228 HydrophobicContact CD2-CE1 3.91Å; L204-F228 HydrophobicContact CD2-CE2 4.45Å; L204-F228 HydrophobicContact CD2-CZ 3.6Å; L204-F228 HydrophobicContact CG-CE1 3.97Å; L204-F228 HydrophobicContact CG-CZ 3.7Å; L204-L241 HydrophobicContact CD1-CD2 3.8Å; L204-L241 HydrophobicContact CG-CD2 4.35Å; L204-L246 HydrophobicContact CD1-CB 3.82Å; L204-L246 HydrophobicContact CD1-CD1 4.31Å; L204-A248 HydrophobicContact CD1-CB 4.07Å; L204-A248 HydrophobicContact CD2-CB 4.33Å; L204-R251 VanDerWaalsContact CB-NH1 3.25Å; L204-F252 HydrophobicContact CD2-CE1 4.49Å; L204-F252 HydrophobicContact CD2-CE2 3.97Å; L204-F252 HydrophobicContact CD2-CZ 3.81Å
205E88.7Confident81.4Confident87 Ų8747 Ų4741%0.40725%0.25SS..Hα-helixtrans-62.6-38.2173.4-72.2177.9179.200111.8T201 V202 K209T201-E205 WeakPolarHBondContact O-CG 3.46Å; T201-E205 PolarHBondContact O-N 3.23Å; V202-E205 PolarHBondContact O-N 3.04Å; E205-K209 WeakPolarHBondContact O-CG 3.39Å; E205-K209 PolarHBondContact O-N 3.21Å
206R86.1Confident80.8Confident5 Ų549.4 Ų49.42%0.01927%0.267CS..Hα-helixtrans-69.2-41174.7-63.3-64-84.2-173.54.9111.1L35 L38 S40 F50 V202 M203 L204 E208 K209 F210 L224L35-R206 PolarHBondContact O-NH1 3.33Å; L38-R206 PolarHBondContact O-NH1 3.5Å; S40-R206 PolarHBondContact O-NH2 2.91Å; F50-R206 HydrophobicContact CE2-CB 4.45Å; F50-R206 HydrophobicContact CZ-CB 4.05Å; F50-R206 HydrophobicContact CZ-CG 4.17Å; V202-R206 HydrophobicContact CG1-CG 4.32Å; V202-R206 WeakPolarHBondContact O-CG 3.45Å; V202-R206 PolarHBondContact O-N 2.99Å; M203-R206 PolarHBondContact O-N 3.06Å; L204-R206 VanDerWaalsContact C-N 3.3Å; L204-R206 PolarHBondContact O-N 3.23Å; R206-E208 VanDerWaalsContact C-N 3.31Å; R206-E208 PolarHBondContact O-N 3.43Å; R206-K209 PolarHBondContact O-N 3.32Å; R206-F210 WeakPolarHBondContact O-CD2 3.4Å; R206-L224 HydrophobicContact CB-CD2 4.4Å
207L89.3Confident79.8Confident0 Ų052.8 Ų52.80%028%0.283CS..Hα-helixtrans-57.8-44.4175-17369.6000111.2M203 L204 K209 F210 I221 L224 L225 F228 F252 K255M203-L207 WeakPolarHBondContact O-CB 3.43Å; M203-L207 PolarHBondContact O-N 3.1Å; L204-L207 HydrophobicContact CD2-CD2 4.43Å; L204-L207 WeakPolarHBondContact O-CB 3.19Å; L204-L207 PolarHBondContact O-N 3.05Å; L207-K209 VanDerWaalsContact C-N 3.29Å; L207-K209 PolarHBondContact O-N 3.17Å; L207-F210 PolarHBondContact O-N 3.29Å; L207-I221 HydrophobicContact CD1-CD1 3.84Å; L207-I221 HydrophobicContact CD1-CG1 4.01Å; L207-L224 HydrophobicContact CB-CD2 3.96Å; L207-L224 HydrophobicContact CD1-CD2 3.96Å; L207-L224 HydrophobicContact CD1-CG 4.41Å; L207-L225 HydrophobicContact CD1-CD2 4.06Å; L207-F228 HydrophobicContact CB-CE2 4.31Å; L207-F228 HydrophobicContact CD2-CE2 4.1Å; L207-F252 HydrophobicContact CD2-CD1 3.64Å; L207-F252 HydrophobicContact CD2-CE1 3.53Å; L207-F252 HydrophobicContact CD2-CZ 4.37Å; L207-K255 HydrophobicContact CD1-CG 3.86Å; L207-K255 HydrophobicContact CD2-CG 4.16Å; L207-K255 HydrophobicContact CG-CD 4.43Å; L207-K255 HydrophobicContact CG-CG 3.7Å; L207-K255 WeakPolarHBondContact O-CD 3.44Å; L207-K255 WeakPolarHBondContact O-CE 3.37Å; L207-K255 PolarHBondContact O-NZ 2.93Å
208E87.2Confident78.6Confident98 Ų9854.2 Ų54.246%0.45829%0.286SS..Hα-helixtrans-59-40.5179.3-175.9166.5-159.300112.3L204 R206 F210 R251 K255L204-E208 PolarHBondContact O-N 3.1Å; R206-E208 VanDerWaalsContact C-N 3.31Å; R206-E208 PolarHBondContact O-N 3.43Å; E208-F210 PolarHBondContact O-N 3.47Å; E208-R251 HydrophobicContact CB-CG 4.38Å; E208-R251 IonicContact OE2-CZ 2.57Å; E208-R251 IonicContact OE2-NE 3.57Å; E208-R251 PolarHBondContact OE2-NE 3.36Å; E208-R251 IonicContact OE2-NH2 3.76Å; E208-R251 PolarHBondContact OE2-NH2 3.3Å; E208-K255 PolarHBondContact O-NZ 3.11Å
209K83.6Confident77.8Confident96 Ų9651.4 Ų51.442%0.41727%0.271SS..THydrogen-bonded Turntrans-66.5-13.4-178.8-70.8174.7-179.2179.30114.9P41 E205 R206 L207 D211P41-K209 HydrophobicContact CB-CB 3.53Å; P41-K209 HydrophobicContact CB-CD 4.38Å; P41-K209 HydrophobicContact CG-CB 3.74Å; E205-K209 WeakPolarHBondContact O-CG 3.39Å; E205-K209 PolarHBondContact O-N 3.21Å; R206-K209 PolarHBondContact O-N 3.32Å; L207-K209 VanDerWaalsContact C-N 3.29Å; L207-K209 PolarHBondContact O-N 3.17Å; K209-D211 PolarHBondContact O-N 2.87Å; K209-D211 VanDerWaalsContact O-N 3.11Å
210F80.2Confident77.2Confident20 Ų2054.8 Ų54.89%0.08828%0.284CS..  trans-77.885172.1-72.6-84.2000110.8R206 L207 E208 I221 L224 K255 L258R206-F210 WeakPolarHBondContact O-CD2 3.4Å; L207-F210 PolarHBondContact O-N 3.29Å; E208-F210 PolarHBondContact O-N 3.47Å; F210-I221 HydrophobicContact CB-CD1 4.35Å; F210-I221 HydrophobicContact CD2-CG1 4.4Å; F210-I221 HydrophobicContact CG-CD1 4.39Å; F210-L224 HydrophobicContact CD2-CD2 4.44Å; F210-L224 HydrophobicContact CE2-CD2 3.91Å; F210-K255 HydrophobicContact CB-CD 4.49Å; F210-K255 PolarHBondContact O-NZ 3.49Å; F210-L258 WeakPolarHBondContact O-CD1 3.5Å
211D75.4Confident76.8Confident112 Ų11255.3 Ų55.360%0.59929%0.287SS*.  trans-97.8-14-174.664.7-21.9000114.5K209 L258K209-D211 PolarHBondContact O-N 2.87Å; K209-D211 VanDerWaalsContact O-N 3.11Å; D211-L258 VanDerWaalsContact C-CD1 3.42Å; D211-L258 VanDerWaalsContact O-CD1 3.25Å; D211-L258 WeakPolarHBondContact O-CD1 3.33Å
212K74.5Confident76.6Confident124 Ų12457.4 Ų57.454%0.53929%0.291SS..SBendtrans-99.7142.7179.1-65.8172.9-159.61540112.1E42E42-K212 IonicContact OE1-NZ 2.92Å; E42-K212 IonicContact OE2-NZ 2.69Å
213P68.4Low76.5Confident58 Ų5857.3 Ų57.338%0.37729%0.291SS..PPolyproline II helixtrans-61.7146172.226.8-33.2000110.4T215 A262P213-T215 PolarHBondContact O-N 3.03Å; P213-A262 HydrophobicContact CB-CB 3.58Å
214P67Low76.4Confident26 Ų2657.3 Ų57.317%0.16929%0.29CS..PPolyproline II helixtrans-58.3131.6175.623.6-32.3000110.5L259 A262 P266P214-L259 HydrophobicContact CG-CD2 4.48Å; P214-A262 HydrophobicContact CG-CB 4.28Å; P214-P266 HydrophobicContact CB-CG 4.07Å; P214-P266 HydrophobicContact CG-CG 4.33Å
215T65.6Low76.3Confident125 Ų12557.3 Ų57.377%0.76729%0.29SS*.  trans-108.5-10.5-178.2530000113.5P213P213-T215 PolarHBondContact O-N 3.03Å
216C58.9Low76.2Confident52 Ų5254.4 Ų54.435%0.35128%0.277SS..SBendtrans-148.4164.9-178.567.80000110.5L218 F264C216-L218 PolarHBondContact O-N 3.27Å; C216-L218 VanDerWaalsContact O-N 3.13Å; C216-F264 VanDerWaalsContact C-CE1 3.48Å
217D56Low76.4Confident119 Ų11954.1 Ų54.164%0.63628%0.276SS*.SBendtrans-62.3-18.5-177-69.7-45000114.5D219 F264D217-D219 VanDerWaalsContact C-N 3.25Å; D217-D219 PolarHBondContact O-N 3.33Å; D217-F264 VanDerWaalsContact OD1-CZ 3.25Å; D217-F264 WeakPolarHBondContact OD1-CZ 3.38Å
218L52Low76.5Confident104 Ų10454.1 Ų54.155%0.54528%0.276SS..  trans-73.883.9174.7-67.7170.9000109.2C216 Y220C216-L218 PolarHBondContact O-N 3.27Å; C216-L218 VanDerWaalsContact O-N 3.13Å; L218-Y220 VanDerWaalsContact C-N 3.27Å; L218-Y220 PolarHBondContact O-N 3.05Å
219D64.3Low76.6Confident9 Ų951 Ų515%0.04826%0.261CS..  trans-69.286.8172.6-84.2-37.7000110.2D217 I221 Y222 P266 H267 L271D217-D219 VanDerWaalsContact C-N 3.25Å; D217-D219 PolarHBondContact O-N 3.33Å; D219-I221 HydrophobicContact CB-CG2 4.43Å; D219-I221 PolarHBondContact O-N 3Å; D219-Y222 WeakPolarHBondContact O-CB 3.36Å; D219-Y222 PolarHBondContact O-N 3.09Å; D219-P266 WeakPolarHBondContact OD1-CG 3.41Å; D219-P266 VanDerWaalsContact OD2-CB 3.25Å; D219-P266 WeakPolarHBondContact OD2-CB 3.35Å; D219-P266 WeakPolarHBondContact OD2-CG 3.36Å; D219-H267 IonicContact OD2-CD2 3.08Å; D219-L271 HydrophobicContact CB-CD1 4.23Å; D219-L271 VanDerWaalsContact OD2-CD1 3.3Å; D219-L271 WeakPolarHBondContact OD2-CD1 3.47Å
220Y73.7Confident76.6Confident74 Ų7446.6 Ų46.629%0.2924%0.243SC..THydrogen-bonded Turntrans-55.9-19.3174.6-65.1-61.6000113.2F47 L218F47-Y220 HydrophobicContact CB-CD1 3.62Å; F47-Y220 HydrophobicContact CB-CE1 4.33Å; F47-Y220 AromaticContact CD2-CD1 3.99Å; F47-Y220 HydrophobicContact CD2-CD1 3.99Å; F47-Y220 AromaticContact CG-CD1 3.8Å; F47-Y220 HydrophobicContact CG-CD1 3.8Å; F47-Y220 HydrophobicContact CG-CE1 4.44Å; L218-Y220 VanDerWaalsContact C-N 3.27Å; L218-Y220 PolarHBondContact O-N 3.05Å
221I82.1Confident76.9Confident10 Ų1045.7 Ų45.75%0.05124%0.238CC..THydrogen-bonded Turntrans-87.3-19.1177.7-159.2171.5000113.5L207 F210 D219 L224 L225 L259 L271L207-I221 HydrophobicContact CD1-CD1 3.84Å; L207-I221 HydrophobicContact CD1-CG1 4.01Å; F210-I221 HydrophobicContact CB-CD1 4.35Å; F210-I221 HydrophobicContact CD2-CG1 4.4Å; F210-I221 HydrophobicContact CG-CD1 4.39Å; D219-I221 HydrophobicContact CB-CG2 4.43Å; D219-I221 PolarHBondContact O-N 3Å; I221-L224 WeakPolarHBondContact O-CB 3.43Å; I221-L224 PolarHBondContact O-N 2.95Å; I221-L225 HydrophobicContact CD1-CD1 4.14Å; I221-L225 HydrophobicContact CG1-CD1 3.95Å; I221-L225 HydrophobicContact CG1-CG 4.08Å; I221-L225 HydrophobicContact CG2-CD1 4.38Å; I221-L225 PolarHBondContact O-N 3.48Å; I221-L259 HydrophobicContact CG2-CD2 4.31Å; I221-L271 HydrophobicContact CG2-CD1 4.02Å
222Y84.6Confident77.6Confident80 Ų8040.3 Ų40.331%0.31421%0.21SC..Hα-helixtrans-59.8-53.9-173.1175.7-83.2000112.5D219 L224 L225 E226 L271D219-Y222 WeakPolarHBondContact O-CB 3.36Å; D219-Y222 PolarHBondContact O-N 3.09Å; Y222-L224 PolarHBondContact O-N 3.4Å; Y222-L225 PolarHBondContact O-N 3.19Å; Y222-L225 VanDerWaalsContact O-N 3.15Å; Y222-E226 HydrophobicContact CE1-CB 4.42Å; Y222-E226 HydrophobicContact CE1-CG 4.46Å; Y222-E226 WeakPolarHBondContact O-CB 3.36Å; Y222-E226 PolarHBondContact O-N 3.06Å; Y222-L271 HydrophobicContact CD2-CD2 3.53Å; Y222-L271 HydrophobicContact CD2-CG 4.34Å; Y222-L271 HydrophobicContact CE2-CD2 4.46Å; Y222-L271 HydrophobicContact CG-CD2 4.15Å
223P85.7Confident78Confident4 Ų438.2 Ų38.23%0.02620%0.201CC..Hα-helixtrans-61.4-34.2179.8-2334.8000112.3F47 F50 D51 C54 E226 L227F47-P223 HydrophobicContact CD2-CG 3.73Å; F47-P223 HydrophobicContact CE2-CG 3.41Å; F47-P223 VanDerWaalsContact CE2-CG 3.41Å; F47-P223 HydrophobicContact CZ-CG 4.19Å; F50-P223 HydrophobicContact CB-CB 3.77Å; D51-P223 HydrophobicContact CB-CB 4.45Å; D51-P223 HydrophobicContact CB-CG 4.25Å; C54-P223 PolarHBondContact SG-O 3.09Å; P223-E226 WeakPolarHBondContact O-CB 3.2Å; P223-E226 PolarHBondContact O-N 3.15Å; P223-L227 VanDerWaalsContact O-CG 3.29Å; P223-L227 WeakPolarHBondContact O-CG 3.2Å; P223-L227 PolarHBondContact O-N 3.38Å
224L88.3Confident78.7Confident0 Ų035.7 Ų35.70%018%0.184CC..Hα-helixtrans-64.5-45.4176.9177.457000112.1F50 M203 R206 L207 F210 I221 Y222 E226 L227 F228F50-L224 HydrophobicContact CD1-CD1 4.18Å; F50-L224 HydrophobicContact CD2-CB 4.13Å; F50-L224 HydrophobicContact CE1-CD1 3.7Å; F50-L224 HydrophobicContact CE2-CB 4.25Å; F50-L224 HydrophobicContact CE2-CD1 4.19Å; F50-L224 HydrophobicContact CE2-CD2 4.17Å; F50-L224 HydrophobicContact CE2-CG 4.45Å; F50-L224 HydrophobicContact CG-CB 4.37Å; F50-L224 HydrophobicContact CZ-CD1 3.71Å; F50-L224 HydrophobicContact CZ-CD2 4.27Å; F50-L224 HydrophobicContact CZ-CG 4.42Å; M203-L224 HydrophobicContact CB-CD1 3.83Å; M203-L224 HydrophobicContact CE-CD1 4.09Å; M203-L224 HydrophobicContact CG-CD1 3.98Å; R206-L224 HydrophobicContact CB-CD2 4.4Å; L207-L224 HydrophobicContact CB-CD2 3.96Å; L207-L224 HydrophobicContact CD1-CD2 3.96Å; L207-L224 HydrophobicContact CD1-CG 4.41Å; F210-L224 HydrophobicContact CD2-CD2 4.44Å; F210-L224 HydrophobicContact CE2-CD2 3.91Å; I221-L224 WeakPolarHBondContact O-CB 3.43Å; I221-L224 PolarHBondContact O-N 2.95Å; Y222-L224 PolarHBondContact O-N 3.4Å; L224-E226 VanDerWaalsContact C-N 3.3Å; L224-L227 PolarHBondContact O-N 2.88Å; L224-F228 HydrophobicContact CD1-CD2 4.08Å; L224-F228 HydrophobicContact CD1-CE2 3.7Å; L224-F228 HydrophobicContact CG-CD2 4.22Å; L224-F228 HydrophobicContact CG-CE2 4.02Å; L224-F228 VanDerWaalsContact O-CD2 3.25Å; L224-F228 WeakPolarHBondContact O-CD2 3.33Å; L224-F228 PolarHBondContact O-N 2.95Å; L224-F228 VanDerWaalsContact O-N 3.09Å
225L90Very high79.5Confident0 Ų039.7 Ų39.70%020%0.199CC..Hα-helixtrans-68.5-31.9175.6-73.8173.4000112.1L207 I221 Y222 F228 H229 L259 L271 I275L207-L225 HydrophobicContact CD1-CD2 4.06Å; I221-L225 HydrophobicContact CD1-CD1 4.14Å; I221-L225 HydrophobicContact CG1-CD1 3.95Å; I221-L225 HydrophobicContact CG1-CG 4.08Å; I221-L225 HydrophobicContact CG2-CD1 4.38Å; I221-L225 PolarHBondContact O-N 3.48Å; Y222-L225 PolarHBondContact O-N 3.19Å; Y222-L225 VanDerWaalsContact O-N 3.15Å; L225-F228 PolarHBondContact O-N 3.22Å; L225-H229 VanDerWaalsContact O-CB 3.28Å; L225-H229 WeakPolarHBondContact O-CB 3.33Å; L225-H229 PolarHBondContact O-N 2.86Å; L225-L259 HydrophobicContact CD1-CD1 4.04Å; L225-L271 HydrophobicContact CD1-CD2 3.9Å; L225-I275 HydrophobicContact CD1-CD1 4.13Å; L225-I275 HydrophobicContact CD1-CG1 4.13Å; L225-I275 HydrophobicContact CD2-CD1 4.16Å; L225-I275 HydrophobicContact CD2-CG1 3.71Å
226E87.7Confident80.4Confident26 Ų2636.8 Ų36.812%0.12118%0.184CC..Hα-helixtrans-64.5-44.6173.9-165.250.5-128.800111.3M59 Y222 P223 L224 F228 H229 C230 K274M59-E226 HydrophobicContact CE-CB 4.36Å; M59-E226 HydrophobicContact CE-CG 3.46Å; M59-E226 VanDerWaalsContact CE-CG 3.46Å; M59-E226 WeakPolarHBondContact CE-O 3.2Å; M59-E226 WeakPolarHBondContact CE-OE1 3.33Å; Y222-E226 HydrophobicContact CE1-CB 4.42Å; Y222-E226 HydrophobicContact CE1-CG 4.46Å; Y222-E226 WeakPolarHBondContact O-CB 3.36Å; Y222-E226 PolarHBondContact O-N 3.06Å; P223-E226 WeakPolarHBondContact O-CB 3.2Å; P223-E226 PolarHBondContact O-N 3.15Å; L224-E226 VanDerWaalsContact C-N 3.3Å; E226-F228 PolarHBondContact O-N 2.91Å; E226-H229 WeakPolarHBondContact O-CB 3.3Å; E226-H229 PolarHBondContact O-N 3.49Å; E226-H229 IonicContact OE1-ND1 3.39Å; E226-H229 PolarHBondContact OE1-ND1 3.4Å; E226-C230 PolarHBondContact O-N 3.01Å; E226-K274 IonicContact OE1-NZ 2.75Å; E226-K274 WeakPolarHBondContact OE2-CD 3.4Å; E226-K274 WeakPolarHBondContact OE2-CE 3.44Å; E226-K274 IonicContact OE2-NZ 3.33Å; E226-K274 PolarHBondContact OE2-NZ 3.35Å
227L88.9Confident81.8Confident0 Ų034.3 Ų34.30%017%0.167CC..Hα-helixtrans-59.9-44.1172.5-68.9169.1000111.9F50 M53 C54 I57 F195 M203 P223 L224 C230 A231F50-L227 HydrophobicContact CB-CD1 4.06Å; F50-L227 HydrophobicContact CD1-CD1 3.57Å; F50-L227 HydrophobicContact CE1-CD1 4.44Å; F50-L227 HydrophobicContact CG-CD1 4.23Å; M53-L227 HydrophobicContact CB-CD1 3.92Å; M53-L227 HydrophobicContact CB-CD2 3.82Å; M53-L227 HydrophobicContact CE-CD1 4.16Å; M53-L227 HydrophobicContact SD-CD1 4.16Å; C54-L227 VanDerWaalsContact SG-CG 3.58Å; I57-L227 HydrophobicContact CD1-CD2 3.79Å; F195-L227 HydrophobicContact CE1-CD2 4.38Å; F195-L227 HydrophobicContact CZ-CB 4.22Å; F195-L227 HydrophobicContact CZ-CD2 3.91Å; M203-L227 HydrophobicContact CE-CB 3.49Å; M203-L227 VanDerWaalsContact CE-CB 3.49Å; M203-L227 HydrophobicContact CE-CD1 4.39Å; P223-L227 VanDerWaalsContact O-CG 3.29Å; P223-L227 WeakPolarHBondContact O-CG 3.2Å; P223-L227 PolarHBondContact O-N 3.38Å; L224-L227 PolarHBondContact O-N 2.88Å; L227-C230 PolarHBondContact O-N 3.42Å; L227-A231 VanDerWaalsContact O-CB 3.3Å; L227-A231 WeakPolarHBondContact O-CB 3.38Å; L227-A231 PolarHBondContact O-N 2.83Å
228F91.9Very high83.5Confident0 Ų030.4 Ų30.40%014%0.143CC..Hα-helixtrans-63.7-41.2175.3-81.8-62.7000112.5M203 L204 L207 L224 L225 E226 C230 A231 V232 L241 F252 I278M203-F228 HydrophobicContact CB-CE1 4.07Å; M203-F228 HydrophobicContact CB-CE2 3.9Å; M203-F228 HydrophobicContact CB-CZ 3.43Å; M203-F228 VanDerWaalsContact CB-CZ 3.43Å; M203-F228 HydrophobicContact CE-CD1 3.89Å; M203-F228 HydrophobicContact CE-CD2 4.03Å; M203-F228 HydrophobicContact CE-CE1 3.93Å; M203-F228 HydrophobicContact CE-CE2 4.08Å; M203-F228 HydrophobicContact CE-CG 3.94Å; M203-F228 HydrophobicContact CE-CZ 4.03Å; L204-F228 HydrophobicContact CB-CZ 4.38Å; L204-F228 HydrophobicContact CD2-CE1 3.91Å; L204-F228 HydrophobicContact CD2-CE2 4.45Å; L204-F228 HydrophobicContact CD2-CZ 3.6Å; L204-F228 HydrophobicContact CG-CE1 3.97Å; L204-F228 HydrophobicContact CG-CZ 3.7Å; L207-F228 HydrophobicContact CB-CE2 4.31Å; L207-F228 HydrophobicContact CD2-CE2 4.1Å; L224-F228 HydrophobicContact CD1-CD2 4.08Å; L224-F228 HydrophobicContact CD1-CE2 3.7Å; L224-F228 HydrophobicContact CG-CD2 4.22Å; L224-F228 HydrophobicContact CG-CE2 4.02Å; L224-F228 VanDerWaalsContact O-CD2 3.25Å; L224-F228 WeakPolarHBondContact O-CD2 3.33Å; L224-F228 PolarHBondContact O-N 2.95Å; L224-F228 VanDerWaalsContact O-N 3.09Å; L225-F228 PolarHBondContact O-N 3.22Å; E226-F228 PolarHBondContact O-N 2.91Å; F228-C230 VanDerWaalsContact C-N 3.26Å; F228-C230 PolarHBondContact O-N 2.99Å; F228-A231 PolarHBondContact O-N 3.08Å; F228-A231 VanDerWaalsContact O-N 3.17Å; F228-V232 WeakPolarHBondContact O-CG2 3.03Å; F228-V232 PolarHBondContact O-N 3.43Å; F228-L241 HydrophobicContact CE1-CD2 4.31Å; F228-F252 HydrophobicContact CB-CE1 4.4Å; F228-F252 HydrophobicContact CB-CZ 4.42Å; F228-F252 HydrophobicContact CD1-CE1 4.33Å; F228-F252 AromaticContact CD1-CZ 3.74Å; F228-F252 HydrophobicContact CD1-CZ 3.74Å; F228-F252 AromaticContact CD2-CE1 3.97Å; F228-F252 HydrophobicContact CD2-CE1 3.97Å; F228-F252 HydrophobicContact CD2-CZ 4.18Å; F228-F252 AromaticContact CE1-CZ 3.93Å; F228-F252 HydrophobicContact CE1-CZ 3.93Å; F228-F252 HydrophobicContact CE2-CE1 4.26Å; F228-F252 HydrophobicContact CE2-CZ 4.35Å; F228-F252 AromaticContact CG-CE1 4Å; F228-F252 HydrophobicContact CG-CE1 4Å; F228-F252 AromaticContact CG-CZ 3.88Å; F228-F252 HydrophobicContact CG-CZ 3.88Å; F228-F252 HydrophobicContact CZ-CZ 4.21Å; F228-I278 HydrophobicContact CB-CD1 3.53Å; F228-I278 HydrophobicContact CB-CG1 4.34Å
229H89.1Confident85.3Confident33 Ų3328.9 Ų28.915%0.15314%0.139CC..Hα-helixtrans-58.4-39177171.5-106.9000111.5L225 E226 V232 K274 Y277L225-H229 VanDerWaalsContact O-CB 3.28Å; L225-H229 WeakPolarHBondContact O-CB 3.33Å; L225-H229 PolarHBondContact O-N 2.86Å; E226-H229 WeakPolarHBondContact O-CB 3.3Å; E226-H229 PolarHBondContact O-N 3.49Å; E226-H229 IonicContact OE1-ND1 3.39Å; E226-H229 PolarHBondContact OE1-ND1 3.4Å; H229-V232 VanDerWaalsContact O-CG2 3.28Å; H229-V232 WeakPolarHBondContact O-CG2 3.41Å; H229-K274 HydrophobicContact CB-CG 4.36Å; H229-Y277 AromaticContact CD2-CD1 3.4Å; H229-Y277 WeakPolarHBondContact CD2-CD1 3.38Å; H229-Y277 AromaticContact CD2-CE1 3.79Å; H229-Y277 AromaticContact CD2-CG 3.99Å; H229-Y277 AromaticContact NE2-CD1 3.83Å; H229-Y277 AromaticContact NE2-CE1 3.93Å
230C83.9Confident86.4Confident3 Ų331 Ų312%0.0215%0.148CC..Hα-helixtrans-78.8-35.5172.3-80.30000113.8M59 S192 E226 L227 F228 V232 K233M59-C230 HydrophobicContact CE-CB 3.6Å; M59-C230 WeakPolarHBondContact CE-SG 3.4Å; M59-C230 HydrophobicContact SD-CB 3.57Å; M59-C230 VanDerWaalsContact SD-CB 3.57Å; M59-C230 PolarHBondContact SD-SG 3.19Å; S192-C230 PolarHBondContact OG-O 2.97Å; E226-C230 PolarHBondContact O-N 3.01Å; L227-C230 PolarHBondContact O-N 3.42Å; F228-C230 VanDerWaalsContact C-N 3.26Å; F228-C230 PolarHBondContact O-N 2.99Å; C230-V232 VanDerWaalsContact C-N 3.32Å; C230-V232 PolarHBondContact O-N 2.99Å; C230-K233 WeakPolarHBondContact O-CB 3.29Å; C230-K233 PolarHBondContact O-N 3.46Å; C230-K233 VanDerWaalsContact O-N 3.09Å; C230-K233 PolarHBondContact SG-NZ 3.44Å; C230-K233 VanDerWaalsContact SG-NZ 3.44Å
231A87.3Confident87.4Confident0 Ų027.5 Ų27.50%013%0.134CC..Hα-helixtrans-56.1-45.9176.100000111.7F195 L200 L227 F228 K233 V234 N237F195-A231 HydrophobicContact CD2-CB 3.62Å; F195-A231 HydrophobicContact CE2-CB 3.69Å; F195-A231 HydrophobicContact CG-CB 4.47Å; L200-A231 HydrophobicContact CD2-CB 4.05Å; L227-A231 VanDerWaalsContact O-CB 3.3Å; L227-A231 WeakPolarHBondContact O-CB 3.38Å; L227-A231 PolarHBondContact O-N 2.83Å; F228-A231 PolarHBondContact O-N 3.08Å; F228-A231 VanDerWaalsContact O-N 3.17Å; A231-K233 PolarHBondContact O-N 3.31Å; A231-V234 PolarHBondContact O-N 3.4Å; A231-N237 HydrophobicContact CB-CB 4.49Å; A231-N237 WeakPolarHBondContact O-CB 3.5Å; A231-N237 PolarHBondContact O-ND2 3.17Å; A231-N237 VanDerWaalsContact O-ND2 3.1Å
232V89.3Confident88Confident0 Ų027.5 Ų27.50%013%0.134CC..THydrogen-bonded Turntrans-69.3-10.9-179-62.90000114.3F228 H229 C230 V234 R238 L241 Y277 I278 R281 L282F228-V232 WeakPolarHBondContact O-CG2 3.03Å; F228-V232 PolarHBondContact O-N 3.43Å; H229-V232 VanDerWaalsContact O-CG2 3.28Å; H229-V232 WeakPolarHBondContact O-CG2 3.41Å; C230-V232 VanDerWaalsContact C-N 3.32Å; C230-V232 PolarHBondContact O-N 2.99Å; V232-V234 PolarHBondContact O-N 3.09Å; V232-R238 HydrophobicContact CB-CG 4.2Å; V232-R238 VanDerWaalsContact O-CD 3.25Å; V232-R238 WeakPolarHBondContact O-CD 3.49Å; V232-R238 VanDerWaalsContact O-CG 3.27Å; V232-R238 WeakPolarHBondContact O-CG 3.12Å; V232-R238 PolarHBondContact O-NH1 3.45Å; V232-L241 HydrophobicContact CG1-CD1 3.93Å; V232-Y277 HydrophobicContact CG2-CD1 3.99Å; V232-Y277 HydrophobicContact CG2-CE1 3.77Å; V232-I278 HydrophobicContact CG1-CB 4.4Å; V232-I278 HydrophobicContact CG1-CG1 4.2Å; V232-I278 HydrophobicContact CG1-CG2 3.99Å; V232-I278 HydrophobicContact CG2-CG1 4.03Å; V232-R281 HydrophobicContact CB-CB 4.29Å; V232-R281 HydrophobicContact CG2-CB 4.4Å; V232-R281 HydrophobicContact CG2-CG 4.47Å; V232-L282 HydrophobicContact CG1-CD2 4.45Å
233K83.9Confident88.4Confident80 Ų8027.1 Ų27.135%0.34814%0.137SC..THydrogen-bonded Turntrans-66.6-29.3173.4-65.1176.4-179.7174.60111.3N190 C230 A231 R238N190-K233 WeakPolarHBondContact ND2-CD 3.46Å; C230-K233 WeakPolarHBondContact O-CB 3.29Å; C230-K233 PolarHBondContact O-N 3.46Å; C230-K233 VanDerWaalsContact O-N 3.09Å; C230-K233 PolarHBondContact SG-NZ 3.44Å; C230-K233 VanDerWaalsContact SG-NZ 3.44Å; A231-K233 PolarHBondContact O-N 3.31Å; K233-R238 PolarHBondContact O-NH1 3.4Å
234V81.9Confident88.6Confident5 Ų529.4 Ų29.43%0.0315%0.152CC..SBendtrans-92.9133.1-179.9173.60000111.5S192 A231 V232 S236 N237 R238S192-V234 WeakPolarHBondContact OG-CG2 3.44Å; A231-V234 PolarHBondContact O-N 3.4Å; V232-V234 PolarHBondContact O-N 3.09Å; V234-S236 PolarHBondContact O-N 3.25Å; V234-N237 PolarHBondContact O-N 3.38Å; V234-R238 PolarHBondContact O-N 2.79Å
235K84.1Confident88.7Confident110 Ų11033.3 Ų33.348%0.47818%0.179SC..Hα-helixtrans-60.6-45.7-176.7-171.9176.6-173.8-178.20112.9E187 N237 R238 T239 E285E187-K235 WeakPolarHBondContact OE1-CB 3.18Å; E187-K235 PolarHBondContact OE1-N 3.25Å; K235-N237 PolarHBondContact O-N 3.16Å; K235-N237 VanDerWaalsContact O-N 3.16Å; K235-R238 PolarHBondContact O-N 2.93Å; K235-T239 PolarHBondContact O-N 3.07Å; K235-T239 PolarHBondContact O-OG1 3.37Å; K235-T239 VanDerWaalsContact O-OG1 3.13Å; K235-E285 WeakPolarHBondContact CE-OE1 3.36Å
236S84.5Confident88.8Confident64 Ų6434 Ų3445%0.44818%0.183SC..Hα-helixtrans-52.8-39.6179.2-176.10000112.7V234 K240V234-S236 PolarHBondContact O-N 3.25Å; S236-K240 WeakPolarHBondContact O-CD 3.16Å; S236-K240 VanDerWaalsContact O-CG 3.27Å; S236-K240 WeakPolarHBondContact O-CG 3.45Å; S236-K240 PolarHBondContact O-N 3.45Å; S236-K240 WeakPolarHBondContact OG-CE 3.2Å; S236-K240 PolarHBondContact OG-NZ 3.3Å
237N88.4Confident89.1Confident0 Ų038 Ų380%020%0.2CC..Hα-helixtrans-74.6-38180-65.3-22.7000112.3S192 F195 L200 A231 V234 K235 K240 L241S192-N237 PolarHBondContact O-ND2 3.07Å; F195-N237 PolarHBondContact O-OD1 2.9Å; L200-N237 HydrophobicContact CD1-CB 4.22Å; A231-N237 HydrophobicContact CB-CB 4.49Å; A231-N237 WeakPolarHBondContact O-CB 3.5Å; A231-N237 PolarHBondContact O-ND2 3.17Å; A231-N237 VanDerWaalsContact O-ND2 3.1Å; V234-N237 PolarHBondContact O-N 3.38Å; K235-N237 PolarHBondContact O-N 3.16Å; K235-N237 VanDerWaalsContact O-N 3.16Å; N237-K240 PolarHBondContact O-N 2.93Å; N237-L241 WeakPolarHBondContact O-CB 3.4Å; N237-L241 VanDerWaalsContact O-CG 3.31Å; N237-L241 WeakPolarHBondContact O-CG 3.13Å; N237-L241 PolarHBondContact O-N 3.15Å
238R91Very high89.3Confident36 Ų3638.1 Ų38.114%0.13620%0.201CC..Hα-helixtrans-58.5-51.8172.9-66-167.7-61.9-83.11110.1V232 K233 V234 K235 K240 L241 L242 L282 E285V232-R238 HydrophobicContact CB-CG 4.2Å; V232-R238 VanDerWaalsContact O-CD 3.25Å; V232-R238 WeakPolarHBondContact O-CD 3.49Å; V232-R238 VanDerWaalsContact O-CG 3.27Å; V232-R238 WeakPolarHBondContact O-CG 3.12Å; V232-R238 PolarHBondContact O-NH1 3.45Å; K233-R238 PolarHBondContact O-NH1 3.4Å; V234-R238 PolarHBondContact O-N 2.79Å; K235-R238 PolarHBondContact O-N 2.93Å; R238-K240 VanDerWaalsContact C-N 3.27Å; R238-K240 PolarHBondContact O-N 3.28Å; R238-L241 PolarHBondContact O-N 3.26Å; R238-L242 WeakPolarHBondContact O-CG 3.43Å; R238-L242 PolarHBondContact O-N 3.19Å; R238-L242 VanDerWaalsContact O-N 3.12Å; R238-L282 HydrophobicContact CB-CD2 4.38Å; R238-E285 HydrophobicContact CB-CB 4.13Å; R238-E285 HydrophobicContact CB-CG 3.93Å; R238-E285 IonicContact CZ-OE2 3.61Å; R238-E285 VanDerWaalsContact CZ-OE2 3.22Å; R238-E285 IonicContact NE-OE2 3.77Å; R238-E285 PolarHBondContact NE-OE2 2.89Å; R238-E285 IonicContact NH2-OE2 2.61Å; R238-E285 PolarHBondContact NH2-OE2 2.78Å
239T90Very high89.5Confident73 Ų7338.1 Ų38.145%0.44820%0.201SC..Hα-helixtrans-55.9-40.5179.1-47.60000112.4K235 L242K235-T239 PolarHBondContact O-N 3.07Å; K235-T239 PolarHBondContact O-OG1 3.37Å; K235-T239 VanDerWaalsContact O-OG1 3.13Å; T239-L242 PolarHBondContact O-N 2.89Å
240K89.3Confident89.8Confident54 Ų5437.2 Ų37.224%0.23520%0.198CC..Hα-helixtrans-65-42.5174.6-68.1163.9-170.5163.80112.4F195 P197 L200 S236 N237 R238 L242 D243 L246F195-K240 PolarHBondContact O-NZ 2.9Å; P197-K240 HydrophobicContact CB-CD 4.34Å; P197-K240 HydrophobicContact CG-CD 3.91Å; P197-K240 HydrophobicContact CG-CG 4.44Å; L200-K240 HydrophobicContact CD1-CB 3.98Å; L200-K240 HydrophobicContact CD1-CD 3.98Å; S236-K240 WeakPolarHBondContact O-CD 3.16Å; S236-K240 VanDerWaalsContact O-CG 3.27Å; S236-K240 WeakPolarHBondContact O-CG 3.45Å; S236-K240 PolarHBondContact O-N 3.45Å; S236-K240 WeakPolarHBondContact OG-CE 3.2Å; S236-K240 PolarHBondContact OG-NZ 3.3Å; N237-K240 PolarHBondContact O-N 2.93Å; R238-K240 VanDerWaalsContact C-N 3.27Å; R238-K240 PolarHBondContact O-N 3.28Å; K240-L242 PolarHBondContact O-N 3.34Å; K240-D243 WeakPolarHBondContact O-CB 3.38Å; K240-D243 PolarHBondContact O-N 2.72Å; K240-L246 WeakPolarHBondContact O-CD1 3.47Å
241L94Very high90.3Very high0 Ų038.5 Ų38.50%020%0.202CC..Hα-helixtrans-68.8-14179.5-72.7169.9000113.7L200 L204 F228 V232 N237 R238 D243 A248 L282L200-L241 HydrophobicContact CB-CD2 4.23Å; L200-L241 HydrophobicContact CD1-CD2 4.46Å; L200-L241 HydrophobicContact CD1-CG 4.25Å; L200-L241 HydrophobicContact CD2-CD2 4.47Å; L204-L241 HydrophobicContact CD1-CD2 3.8Å; L204-L241 HydrophobicContact CG-CD2 4.35Å; F228-L241 HydrophobicContact CE1-CD2 4.31Å; V232-L241 HydrophobicContact CG1-CD1 3.93Å; N237-L241 WeakPolarHBondContact O-CB 3.4Å; N237-L241 VanDerWaalsContact O-CG 3.31Å; N237-L241 WeakPolarHBondContact O-CG 3.13Å; N237-L241 PolarHBondContact O-N 3.15Å; R238-L241 PolarHBondContact O-N 3.26Å; L241-D243 VanDerWaalsContact C-N 3.27Å; L241-A248 HydrophobicContact CD2-CB 4.48Å; L241-A248 WeakPolarHBondContact O-CB 3.27Å; L241-L282 HydrophobicContact CB-CD2 3.66Å; L241-L282 HydrophobicContact CD1-CD2 4.1Å
242L93.8Very high90.7Very high9 Ų938.5 Ų38.55%0.04720%0.202CC..THydrogen-bonded Turntrans-78.4-8.7173.6-62.1-179.8000113.3R238 T239 K240 P244 L282 E285 A286 L289 F297R238-L242 WeakPolarHBondContact O-CG 3.43Å; R238-L242 PolarHBondContact O-N 3.19Å; R238-L242 VanDerWaalsContact O-N 3.12Å; T239-L242 PolarHBondContact O-N 2.89Å; K240-L242 PolarHBondContact O-N 3.34Å; L242-P244 VanDerWaalsContact O-CD 3.29Å; L242-P244 WeakPolarHBondContact O-CD 3.47Å; L242-L282 HydrophobicContact CD2-CB 4.18Å; L242-L282 HydrophobicContact CD2-CD2 4.25Å; L242-E285 HydrophobicContact CD1-CB 4.13Å; L242-E285 HydrophobicContact CD1-CG 3.92Å; L242-A286 HydrophobicContact CD1-CB 4.19Å; L242-A286 HydrophobicContact CD2-CB 3.87Å; L242-L289 HydrophobicContact CB-CD1 4.38Å; L242-L289 HydrophobicContact CD1-CD1 3.78Å; L242-L289 HydrophobicContact CD1-CG 4.28Å; L242-F297 HydrophobicContact CB-CD2 4.3Å; L242-F297 HydrophobicContact CD2-CD1 4.09Å; L242-F297 HydrophobicContact CD2-CD2 3.81Å; L242-F297 HydrophobicContact CD2-CE1 3.91Å; L242-F297 HydrophobicContact CD2-CE2 3.6Å; L242-F297 HydrophobicContact CD2-CG 4.06Å; L242-F297 HydrophobicContact CD2-CZ 3.66Å
243D92.8Very high91Very high73 Ų7338.5 Ų38.539%0.3920%0.202SC..  trans-59.5118.7174.8-178.7-10.9000110.7K240 L241 S245 L246K240-D243 WeakPolarHBondContact O-CB 3.38Å; K240-D243 PolarHBondContact O-N 2.72Å; L241-D243 VanDerWaalsContact C-N 3.27Å; D243-S245 PolarHBondContact O-N 2.86Å; D243-S245 VanDerWaalsContact O-N 3.13Å; D243-S245 VanDerWaalsContact OD1-CB 3.26Å; D243-S245 WeakPolarHBondContact OD1-CB 3.29Å; D243-S245 PolarHBondContact OD1-N 3.37Å; D243-S245 PolarHBondContact OD1-OG 2.91Å; D243-S245 PolarHBondContact OD2-OG 3.46Å; D243-L246 HydrophobicContact CB-CD1 4.16Å; D243-L246 HydrophobicContact CB-CG 4.09Å; D243-L246 WeakPolarHBondContact O-CB 3.23Å; D243-L246 PolarHBondContact O-N 3.41Å; D243-L246 VanDerWaalsContact O-N 3.07Å
244P90Very high91.4Very high51 Ų5136.1 Ų36.133%0.33120%0.195SC..G310 helixtrans-56.5-29.4179-24.333.7000113.5L242 L246 K247 D296L242-P244 VanDerWaalsContact O-CD 3.29Å; L242-P244 WeakPolarHBondContact O-CD 3.47Å; P244-L246 PolarHBondContact O-N 2.75Å; P244-K247 PolarHBondContact O-N 3.45Å; P244-K247 VanDerWaalsContact O-N 3.16Å; P244-D296 HydrophobicContact CG-CB 3.81Å
245S90.1Very high91.8Very high82 Ų8236.3 Ų36.357%0.57320%0.196SC*.G310 helixtrans-63-28.9179.878.50000112.7D243 K247D243-S245 PolarHBondContact O-N 2.86Å; D243-S245 VanDerWaalsContact O-N 3.13Å; D243-S245 VanDerWaalsContact OD1-CB 3.26Å; D243-S245 WeakPolarHBondContact OD1-CB 3.29Å; D243-S245 PolarHBondContact OD1-N 3.37Å; D243-S245 PolarHBondContact OD1-OG 2.91Å; D243-S245 PolarHBondContact OD2-OG 3.46Å; S245-K247 VanDerWaalsContact C-N 3.33Å
246L92.3Very high92.2Very high16 Ų1631.1 Ų31.18%0.08417%0.173CC..G310 helixtrans-78.8-16.4-179.9-62.9-176.8000113.4T201 L204 K240 D243 P244 A248 R251T201-L246 HydrophobicContact CG2-CD2 3.98Å; T201-L246 VanDerWaalsContact OG1-CD2 3.25Å; T201-L246 WeakPolarHBondContact OG1-CD2 3.43Å; L204-L246 HydrophobicContact CD1-CB 3.82Å; L204-L246 HydrophobicContact CD1-CD1 4.31Å; K240-L246 WeakPolarHBondContact O-CD1 3.47Å; D243-L246 HydrophobicContact CB-CD1 4.16Å; D243-L246 HydrophobicContact CB-CG 4.09Å; D243-L246 WeakPolarHBondContact O-CB 3.23Å; D243-L246 PolarHBondContact O-N 3.41Å; D243-L246 VanDerWaalsContact O-N 3.07Å; P244-L246 PolarHBondContact O-N 2.75Å; L246-A248 PolarHBondContact O-N 2.82Å; L246-A248 VanDerWaalsContact O-N 3.13Å; L246-R251 PolarHBondContact O-NH1 3.4Å
247K93.9Very high92.5Very high110 Ų11031.5 Ų31.548%0.47817%0.165SC..  trans4939.8-179.2-57.3-174.9-179.5176.90112.3P244 S245 L249 P250 R251 F300P244-K247 PolarHBondContact O-N 3.45Å; P244-K247 VanDerWaalsContact O-N 3.16Å; S245-K247 VanDerWaalsContact C-N 3.33Å; K247-L249 PolarHBondContact O-N 2.98Å; K247-P250 HydrophobicContact CB-CG 3.84Å; K247-P250 VanDerWaalsContact O-CD 3.26Å; K247-P250 WeakPolarHBondContact O-CD 3.15Å; K247-P250 VanDerWaalsContact O-CG 3.28Å; K247-P250 WeakPolarHBondContact O-CG 3.44Å; K247-R251 WeakPolarHBondContact O-CB 3.33Å; K247-R251 VanDerWaalsContact O-CG 3.25Å; K247-R251 WeakPolarHBondContact O-CG 3.4Å; K247-R251 PolarHBondContact O-N 2.78Å; K247-F300 HydrophobicContact CB-CE1 4.37Å; K247-F300 HydrophobicContact CB-CZ 4.43Å; K247-F300 HydrophobicContact CD-CE1 4.38Å; K247-F300 HydrophobicContact CG-CE1 3.81Å; K247-F300 HydrophobicContact CG-CZ 4.11Å
248A94.8Very high92.4Very high2 Ų232.9 Ų32.92%0.01717%0.172CC..Hα-helixtrans-59.9-47.3-173.800000111.7L204 L241 L246 R251 F252L204-A248 HydrophobicContact CD1-CB 4.07Å; L204-A248 HydrophobicContact CD2-CB 4.33Å; L241-A248 HydrophobicContact CD2-CB 4.48Å; L241-A248 WeakPolarHBondContact O-CB 3.27Å; L246-A248 PolarHBondContact O-N 2.82Å; L246-A248 VanDerWaalsContact O-N 3.13Å; A248-R251 PolarHBondContact O-N 2.74Å; A248-F252 HydrophobicContact CB-CD2 4.36Å; A248-F252 HydrophobicContact CB-CE2 4.11Å; A248-F252 WeakPolarHBondContact O-CD2 3.41Å; A248-F252 PolarHBondContact O-N 2.97Å
249L95.3Very high92.2Very high0 Ų031.7 Ų31.70%017%0.169CC..Hα-helixtrans-56.1-58-179.4-177.264.1000113.4K247 R251 F252 I253 V279 Y283 F297 V298 V303 L335K247-L249 PolarHBondContact O-N 2.98Å; L249-R251 VanDerWaalsContact C-N 3.29Å; L249-R251 PolarHBondContact O-N 3.43Å; L249-F252 PolarHBondContact O-N 2.81Å; L249-I253 HydrophobicContact CD1-CG1 4.14Å; L249-I253 WeakPolarHBondContact O-CG1 3.03Å; L249-I253 PolarHBondContact O-N 2.88Å; L249-V279 HydrophobicContact CD1-CG1 4.19Å; L249-Y283 HydrophobicContact CD1-CE2 3.8Å; L249-Y283 HydrophobicContact CD2-CE2 4.41Å; L249-F297 HydrophobicContact CB-CE2 4.2Å; L249-F297 HydrophobicContact CB-CZ 4.08Å; L249-V298 HydrophobicContact CD2-CB 4.38Å; L249-V298 HydrophobicContact CD2-CG1 4.43Å; L249-V303 HydrophobicContact CD2-CG2 4.46Å; L249-V303 HydrophobicContact CG-CG2 4.3Å; L249-L335 HydrophobicContact CD1-CD2 3.82Å
250P95.3Very high92.1Very high13 Ų1328.4 Ų28.48%0.08415%0.148CC..Hα-helixtrans-63.8-32.3179.125.1-35.7000112.9K247 S254 F300 Q302 V303K247-P250 HydrophobicContact CB-CG 3.84Å; K247-P250 VanDerWaalsContact O-CD 3.26Å; K247-P250 WeakPolarHBondContact O-CD 3.15Å; K247-P250 VanDerWaalsContact O-CG 3.28Å; K247-P250 WeakPolarHBondContact O-CG 3.44Å; P250-S254 WeakPolarHBondContact O-CB 3.43Å; P250-S254 PolarHBondContact O-N 3.48Å; P250-F300 HydrophobicContact CB-CB 4.36Å; P250-F300 HydrophobicContact CB-CG 4.49Å; P250-F300 HydrophobicContact CG-CB 4.2Å; P250-F300 HydrophobicContact CG-CD1 4.01Å; P250-F300 HydrophobicContact CG-CD2 4.07Å; P250-F300 HydrophobicContact CG-CE1 4.44Å; P250-F300 HydrophobicContact CG-CE2 4.46Å; P250-F300 HydrophobicContact CG-CG 3.82Å; P250-Q302 HydrophobicContact CB-CB 4.46Å; P250-V303 HydrophobicContact CB-CG2 3.93Å
251R94.7Very high91.8Very high30 Ų3027.4 Ų27.411%0.11315%0.154CC..Hα-helixtrans-61.9-49.2175.2-74.5173.9170.1173.3-11.6110.9L204 E208 L246 K247 A248 L249 K255L204-R251 VanDerWaalsContact CB-NH1 3.25Å; E208-R251 HydrophobicContact CB-CG 4.38Å; E208-R251 IonicContact OE2-CZ 2.57Å; E208-R251 IonicContact OE2-NE 3.57Å; E208-R251 PolarHBondContact OE2-NE 3.36Å; E208-R251 IonicContact OE2-NH2 3.76Å; E208-R251 PolarHBondContact OE2-NH2 3.3Å; L246-R251 PolarHBondContact O-NH1 3.4Å; K247-R251 WeakPolarHBondContact O-CB 3.33Å; K247-R251 VanDerWaalsContact O-CG 3.25Å; K247-R251 WeakPolarHBondContact O-CG 3.4Å; K247-R251 PolarHBondContact O-N 2.78Å; A248-R251 PolarHBondContact O-N 2.74Å; L249-R251 VanDerWaalsContact C-N 3.29Å; L249-R251 PolarHBondContact O-N 3.43Å; R251-K255 WeakPolarHBondContact O-CG 3.34Å; R251-K255 PolarHBondContact O-N 3.15Å; R251-K255 VanDerWaalsContact O-N 3.09Å
252F95.8Very high91.2Very high0 Ų027.5 Ų27.50%015%0.154CC..Hα-helixtrans-64.7-44.8178.4-73.5-55.9000112.9L204 L207 F228 A248 L249 K255 L256 I275 I278 V279 L282L204-F252 HydrophobicContact CD2-CE1 4.49Å; L204-F252 HydrophobicContact CD2-CE2 3.97Å; L204-F252 HydrophobicContact CD2-CZ 3.81Å; L207-F252 HydrophobicContact CD2-CD1 3.64Å; L207-F252 HydrophobicContact CD2-CE1 3.53Å; L207-F252 HydrophobicContact CD2-CZ 4.37Å; F228-F252 HydrophobicContact CB-CE1 4.4Å; F228-F252 HydrophobicContact CB-CZ 4.42Å; F228-F252 HydrophobicContact CD1-CE1 4.33Å; F228-F252 AromaticContact CD1-CZ 3.74Å; F228-F252 HydrophobicContact CD1-CZ 3.74Å; F228-F252 AromaticContact CD2-CE1 3.97Å; F228-F252 HydrophobicContact CD2-CE1 3.97Å; F228-F252 HydrophobicContact CD2-CZ 4.18Å; F228-F252 AromaticContact CE1-CZ 3.93Å; F228-F252 HydrophobicContact CE1-CZ 3.93Å; F228-F252 HydrophobicContact CE2-CE1 4.26Å; F228-F252 HydrophobicContact CE2-CZ 4.35Å; F228-F252 AromaticContact CG-CE1 4Å; F228-F252 HydrophobicContact CG-CE1 4Å; F228-F252 AromaticContact CG-CZ 3.88Å; F228-F252 HydrophobicContact CG-CZ 3.88Å; F228-F252 HydrophobicContact CZ-CZ 4.21Å; A248-F252 HydrophobicContact CB-CD2 4.36Å; A248-F252 HydrophobicContact CB-CE2 4.11Å; A248-F252 WeakPolarHBondContact O-CD2 3.41Å; A248-F252 PolarHBondContact O-N 2.97Å; L249-F252 PolarHBondContact O-N 2.81Å; F252-K255 PolarHBondContact O-N 3.31Å; F252-L256 PolarHBondContact O-N 2.73Å; F252-I275 HydrophobicContact CB-CG2 3.98Å; F252-I278 HydrophobicContact CD1-CG2 4.21Å; F252-I278 HydrophobicContact CD2-CG2 3.84Å; F252-I278 HydrophobicContact CE1-CD1 4.18Å; F252-I278 HydrophobicContact CE1-CG2 3.98Å; F252-I278 HydrophobicContact CE2-CG2 3.58Å; F252-I278 HydrophobicContact CG-CG2 4.17Å; F252-I278 HydrophobicContact CZ-CG2 3.68Å; F252-V279 HydrophobicContact CB-CG2 4.04Å; F252-L282 HydrophobicContact CD2-CD1 4.25Å; F252-L282 HydrophobicContact CE2-CD1 4.12Å
253I95.3Very high90.1Very high0 Ų033.2 Ų33.20%019%0.192CC..Hα-helixtrans-66.6-39.8-179.9-62.4-50.5000111.9L249 K255 L256 R257 V279 D306 L310 L335L249-I253 HydrophobicContact CD1-CG1 4.14Å; L249-I253 WeakPolarHBondContact O-CG1 3.03Å; L249-I253 PolarHBondContact O-N 2.88Å; I253-K255 VanDerWaalsContact C-N 3.31Å; I253-K255 PolarHBondContact O-N 3.49Å; I253-L256 HydrophobicContact CD1-CD2 4.5Å; I253-L256 WeakPolarHBondContact O-CB 3.45Å; I253-L256 PolarHBondContact O-N 3.15Å; I253-R257 PolarHBondContact O-N 3.47Å; I253-V279 HydrophobicContact CD1-CG1 4.38Å; I253-V279 HydrophobicContact CD1-CG2 3.88Å; I253-D306 HydrophobicContact CG2-CB 3.59Å; I253-L310 HydrophobicContact CG2-CD1 4.39Å; I253-L335 HydrophobicContact CD1-CD1 3.81Å; I253-L335 HydrophobicContact CD1-CD2 3.99Å; I253-L335 HydrophobicContact CD1-CG 4.43Å; I253-L335 HydrophobicContact CG1-CD1 4.15Å; I253-L335 HydrophobicContact CG1-CD2 3.98Å; I253-L335 HydrophobicContact CG2-CD1 4.48Å
254S92Very high89Confident30 Ų3033.6 Ų33.621%0.2119%0.19CC..Hα-helixtrans-62.1-38.7173.8178.60000111.9P250 R257 L258P250-S254 WeakPolarHBondContact O-CB 3.43Å; P250-S254 PolarHBondContact O-N 3.48Å; S254-R257 WeakPolarHBondContact O-CB 3.46Å; S254-R257 PolarHBondContact O-N 2.8Å; S254-L258 WeakPolarHBondContact O-CB 3.08Å; S254-L258 PolarHBondContact O-N 3.2Å
255K90.8Very high88Confident9 Ų933.9 Ų33.94%0.03919%0.185CC..Hα-helixtrans-70.7-38173.6-63.6-46.2132.2-176.20113.2L207 E208 F210 R251 F252 I253 R257 L258 L259 I275L207-K255 HydrophobicContact CD1-CG 3.86Å; L207-K255 HydrophobicContact CD2-CG 4.16Å; L207-K255 HydrophobicContact CG-CD 4.43Å; L207-K255 HydrophobicContact CG-CG 3.7Å; L207-K255 WeakPolarHBondContact O-CD 3.44Å; L207-K255 WeakPolarHBondContact O-CE 3.37Å; L207-K255 PolarHBondContact O-NZ 2.93Å; E208-K255 PolarHBondContact O-NZ 3.11Å; F210-K255 HydrophobicContact CB-CD 4.49Å; F210-K255 PolarHBondContact O-NZ 3.49Å; R251-K255 WeakPolarHBondContact O-CG 3.34Å; R251-K255 PolarHBondContact O-N 3.15Å; R251-K255 VanDerWaalsContact O-N 3.09Å; F252-K255 PolarHBondContact O-N 3.31Å; I253-K255 VanDerWaalsContact C-N 3.31Å; I253-K255 PolarHBondContact O-N 3.49Å; K255-R257 VanDerWaalsContact C-N 3.31Å; K255-R257 PolarHBondContact O-N 2.61Å; K255-L258 PolarHBondContact O-N 3.46Å; K255-L259 WeakPolarHBondContact O-CB 3.48Å; K255-L259 VanDerWaalsContact O-CG 3.3Å; K255-L259 WeakPolarHBondContact O-CG 3.07Å; K255-L259 PolarHBondContact O-N 2.82Å; K255-I275 HydrophobicContact CB-CD1 3.98Å
256L92.4Very high86.6Confident1 Ų130.5 Ų30.51%0.00516%0.161CC..Hα-helixtrans-55.8-50.2172.4-179.965000110F252 I253 L258 L259 I260 P272 I275 L276 I328F252-L256 PolarHBondContact O-N 2.73Å; I253-L256 HydrophobicContact CD1-CD2 4.5Å; I253-L256 WeakPolarHBondContact O-CB 3.45Å; I253-L256 PolarHBondContact O-N 3.15Å; L256-L258 VanDerWaalsContact C-N 3.33Å; L256-L258 PolarHBondContact O-N 3.31Å; L256-L259 PolarHBondContact O-N 3.29Å; L256-I260 HydrophobicContact CD1-CG2 4.02Å; L256-I260 WeakPolarHBondContact O-CG1 3.15Å; L256-I260 WeakPolarHBondContact O-CG2 3.16Å; L256-I260 PolarHBondContact O-N 2.83Å; L256-P272 HydrophobicContact CD1-CB 3.8Å; L256-I275 HydrophobicContact CB-CD1 4.3Å; L256-I275 HydrophobicContact CB-CG2 4.01Å; L256-I275 HydrophobicContact CD1-CB 4.47Å; L256-L276 HydrophobicContact CD1-CD2 4.27Å; L256-L276 HydrophobicContact CD1-CG 4.39Å; L256-L276 HydrophobicContact CD2-CD2 3.69Å; L256-I328 HydrophobicContact CD2-CG2 4.45Å
257R90.4Very high85.4Confident72 Ų7234.4 Ų34.427%0.27218%0.178SC..Hα-helixtrans-54-47.7175.1175.9176.778168.78112.3I253 S254 K255 G261 D306 W309I253-R257 PolarHBondContact O-N 3.47Å; S254-R257 WeakPolarHBondContact O-CB 3.46Å; S254-R257 PolarHBondContact O-N 2.8Å; K255-R257 VanDerWaalsContact C-N 3.31Å; K255-R257 PolarHBondContact O-N 2.61Å; R257-G261 PolarHBondContact O-N 3.24Å; R257-D306 WeakPolarHBondContact CD-OD1 3.24Å; R257-D306 IonicContact CZ-OD1 2.92Å; R257-D306 IonicContact NE-OD1 3.04Å; R257-D306 PolarHBondContact NE-OD1 2.76Å; R257-D306 VanDerWaalsContact NE-OD1 3.14Å; R257-D306 IonicContact NH1-OD1 2.67Å; R257-D306 PolarHBondContact NH1-OD1 2.84Å; R257-D306 IonicContact NH2-OD1 3.69Å; R257-W309 HydrophobicContact CB-CE3 4.31Å; R257-W309 HydrophobicContact CB-CZ3 4.34Å; R257-W309 HydrophobicContact CG-CD2 3.72Å; R257-W309 HydrophobicContact CG-CE3 3.48Å; R257-W309 VanDerWaalsContact CG-CE3 3.48Å; R257-W309 HydrophobicContact CG-CG 4.38Å; R257-W309 HydrophobicContact CG-CH2 4.08Å; R257-W309 HydrophobicContact CG-CZ2 4.29Å; R257-W309 HydrophobicContact CG-CZ3 3.67Å
258L86.6Confident84Confident30 Ų3030.9 Ų30.916%0.15717%0.169CC..Hα-helixtrans-63.1-44.3-179.6179.1148.2000112.3F210 D211 S254 K255 L256 A262F210-L258 WeakPolarHBondContact O-CD1 3.5Å; D211-L258 VanDerWaalsContact C-CD1 3.42Å; D211-L258 VanDerWaalsContact O-CD1 3.25Å; D211-L258 WeakPolarHBondContact O-CD1 3.33Å; S254-L258 WeakPolarHBondContact O-CB 3.08Å; S254-L258 PolarHBondContact O-N 3.2Å; K255-L258 PolarHBondContact O-N 3.46Å; L256-L258 VanDerWaalsContact C-N 3.33Å; L256-L258 PolarHBondContact O-N 3.31Å; L258-A262 PolarHBondContact O-N 2.71Å
259L86.5Confident82.9Confident11 Ų1132 Ų326%0.05818%0.179CC..Hα-helixtrans-68.1-43.2-178.6-70.7170000112P214 I221 L225 K255 L256 L271 I275P214-L259 HydrophobicContact CG-CD2 4.48Å; I221-L259 HydrophobicContact CG2-CD2 4.31Å; L225-L259 HydrophobicContact CD1-CD1 4.04Å; K255-L259 WeakPolarHBondContact O-CB 3.48Å; K255-L259 VanDerWaalsContact O-CG 3.3Å; K255-L259 WeakPolarHBondContact O-CG 3.07Å; K255-L259 PolarHBondContact O-N 2.82Å; L256-L259 PolarHBondContact O-N 3.29Å; L259-L271 HydrophobicContact CD1-CB 4.07Å; L259-L271 HydrophobicContact CD2-CD1 4.09Å; L259-I275 HydrophobicContact CD1-CD1 3.55Å
260I87Confident82.2Confident3 Ų336.2 Ų36.22%0.01520%0.199CC..Hα-helixtrans-77.6-28.8-179.375.2176.4000112.2L256 A262 R265 P272 W309 L310 F313 I320 I328L256-I260 HydrophobicContact CD1-CG2 4.02Å; L256-I260 WeakPolarHBondContact O-CG1 3.15Å; L256-I260 WeakPolarHBondContact O-CG2 3.16Å; L256-I260 PolarHBondContact O-N 2.83Å; I260-A262 VanDerWaalsContact C-N 3.32Å; I260-R265 PolarHBondContact O-NE 3.4Å; I260-R265 PolarHBondContact O-NH2 3.41Å; I260-P272 HydrophobicContact CG2-CB 4.12Å; I260-P272 HydrophobicContact CG2-CG 3.8Å; I260-W309 HydrophobicContact CD1-CZ3 3.97Å; I260-W309 HydrophobicContact CG1-CH2 4.12Å; I260-W309 HydrophobicContact CG1-CZ3 3.84Å; I260-L310 HydrophobicContact CD1-CD2 3.38Å; I260-L310 HydrophobicContact CG1-CD2 4.47Å; I260-F313 HydrophobicContact CB-CE1 4.18Å; I260-F313 HydrophobicContact CD1-CD1 3.97Å; I260-F313 HydrophobicContact CD1-CE1 3.98Å; I260-F313 HydrophobicContact CG1-CD1 4.18Å; I260-F313 HydrophobicContact CG1-CE1 3.83Å; I260-F313 WeakPolarHBondContact O-CZ 3.35Å; I260-I320 HydrophobicContact CB-CD1 3.83Å; I260-I320 HydrophobicContact CG2-CD1 4.33Å; I260-I328 HydrophobicContact CD1-CD1 4.11Å; I260-I328 HydrophobicContact CG2-CD1 4.07Å
261G84.6Confident81.8Confident34 Ų3435.7 Ų35.735%0.35120%0.195SC..Hα-helixtrans-77.5-12.3177.400000114.7R257R257-G261 PolarHBondContact O-N 3.24Å
262A80.5Confident81.5Confident1 Ų134.6 Ų34.61%0.00819%0.192CC..  trans-68.1141.3-179.100000112.1P213 P214 L258 I260 F264 R265P213-A262 HydrophobicContact CB-CB 3.58Å; P214-A262 HydrophobicContact CG-CB 4.28Å; L258-A262 PolarHBondContact O-N 2.71Å; I260-A262 VanDerWaalsContact C-N 3.32Å; A262-F264 WeakPolarHBondContact CB-O 3.46Å; A262-R265 HydrophobicContact CB-CG 4.46Å; A262-R265 WeakPolarHBondContact O-CG 3.44Å; A262-R265 PolarHBondContact O-NE 3.44Å
263P71.4Confident81.2Confident129 Ų12938.9 Ų38.984%0.83821%0.212SC*.SBendtrans-72.1-35.8176.227.6-33.1000112.2
264F69.1Low81Confident82 Ų8240.4 Ų40.436%0.3622%0.218SC..SBendtrans-101.2124.4172.1-175.5-104.1000108.4C216 D217 A262 P266C216-F264 VanDerWaalsContact C-CE1 3.48Å; D217-F264 VanDerWaalsContact OD1-CZ 3.25Å; D217-F264 WeakPolarHBondContact OD1-CZ 3.38Å; A262-F264 WeakPolarHBondContact CB-O 3.46Å; F264-P266 HydrophobicContact CD1-CG 4.35Å; F264-P266 HydrophobicContact CE1-CB 4.18Å; F264-P266 HydrophobicContact CE1-CG 4.05Å
265R70Confident81.1Confident57 Ų5739 Ų3922%0.21521%0.208CC..  trans-127.883.5-175.1-61.9-176.8-161137.51.1110I260 A262 H267 A268 N319I260-R265 PolarHBondContact O-NE 3.4Å; I260-R265 PolarHBondContact O-NH2 3.41Å; A262-R265 HydrophobicContact CB-CG 4.46Å; A262-R265 WeakPolarHBondContact O-CG 3.44Å; A262-R265 PolarHBondContact O-NE 3.44Å; R265-H267 PolarHBondContact O-N 3.46Å; R265-A268 HydrophobicContact CB-CB 3.8Å; R265-N319 VanDerWaalsContact NH1-C 3.28Å; R265-N319 PolarHBondContact NH1-O 3.12Å
266P60.2Low81.3Confident11 Ų1138.7 Ų38.77%0.07121%0.207CC..THydrogen-bonded Turntrans-58138.4163.529.1-34000108.1P214 D219 F264 A268P214-P266 HydrophobicContact CB-CG 4.07Å; P214-P266 HydrophobicContact CG-CG 4.33Å; D219-P266 WeakPolarHBondContact OD1-CG 3.41Å; D219-P266 VanDerWaalsContact OD2-CB 3.25Å; D219-P266 WeakPolarHBondContact OD2-CB 3.35Å; D219-P266 WeakPolarHBondContact OD2-CG 3.36Å; F264-P266 HydrophobicContact CD1-CG 4.35Å; F264-P266 HydrophobicContact CE1-CB 4.18Å; F264-P266 HydrophobicContact CE1-CG 4.05Å; P266-A268 VanDerWaalsContact C-N 3.33Å; P266-A268 PolarHBondContact O-N 2.72Å
267H66.6Low81.4Confident97 Ų9741.5 Ų41.545%0.44922%0.218SC..THydrogen-bonded Turntrans49.946.4-179.9-58.8-81.8000114.8D219 R265 A269 Q270 L271D219-H267 IonicContact OD2-CD2 3.08Å; R265-H267 PolarHBondContact O-N 3.46Å; H267-A269 CarbonylContact O-C 3.48Å; H267-A269 PolarHBondContact O-N 3.1Å; H267-Q270 HydrophobicContact CB-CB 4.23Å; H267-Q270 PolarHBondContact ND1-OE1 3.03Å; H267-Q270 PolarHBondContact O-N 3.19Å; H267-L271 HydrophobicContact CB-CG 4.43Å; H267-L271 PolarHBondContact O-N 3.45Å
268A64.9Low81.6Confident36 Ų3638.1 Ų38.130%0.29821%0.205SC..THydrogen-bonded Turntrans-47.9-23.2-16800000117.4R265 P266R265-A268 HydrophobicContact CB-CB 3.8Å; P266-A268 VanDerWaalsContact C-N 3.33Å; P266-A268 PolarHBondContact O-N 2.72Å
269A70.9Confident82.1Confident25 Ų2536.7 Ų36.721%0.20720%0.198CC..THydrogen-bonded Turntrans-100.6-44.5174.200000113.2H267 L271 P272 E273 P321H267-A269 CarbonylContact O-C 3.48Å; H267-A269 PolarHBondContact O-N 3.1Å; A269-L271 PolarHBondContact O-N 3.16Å; A269-P272 WeakPolarHBondContact O-CD 3.4Å; A269-E273 VanDerWaalsContact O-CB 3.27Å; A269-E273 WeakPolarHBondContact O-CB 3.39Å; A269-E273 WeakPolarHBondContact O-CG 3.43Å; A269-E273 PolarHBondContact O-N 3.25Å; A269-P321 HydrophobicContact CB-CG 4.42Å
270Q81.4Confident82.5Confident90 Ų9040.3 Ų40.342%0.42121%0.213SC..Hα-helixtrans-64.8-41.6-166.8-61.4176-21.700113.4H267 K274H267-Q270 HydrophobicContact CB-CB 4.23Å; H267-Q270 PolarHBondContact ND1-OE1 3.03Å; H267-Q270 PolarHBondContact O-N 3.19Å; Q270-K274 VanDerWaalsContact O-CG 3.29Å; Q270-K274 WeakPolarHBondContact O-CG 3.32Å; Q270-K274 PolarHBondContact O-N 3.29Å; Q270-K274 VanDerWaalsContact O-N 3.07Å
271L86.1Confident82.8Confident2 Ų242.5 Ų42.51%0.0122%0.221CC..Hα-helixtrans-69.2-50.5-179.5-72.2-178.4000112.2D219 I221 Y222 L225 L259 H267 A269 E273 K274 I275D219-L271 HydrophobicContact CB-CD1 4.23Å; D219-L271 VanDerWaalsContact OD2-CD1 3.3Å; D219-L271 WeakPolarHBondContact OD2-CD1 3.47Å; I221-L271 HydrophobicContact CG2-CD1 4.02Å; Y222-L271 HydrophobicContact CD2-CD2 3.53Å; Y222-L271 HydrophobicContact CD2-CG 4.34Å; Y222-L271 HydrophobicContact CE2-CD2 4.46Å; Y222-L271 HydrophobicContact CG-CD2 4.15Å; L225-L271 HydrophobicContact CD1-CD2 3.9Å; L259-L271 HydrophobicContact CD1-CB 4.07Å; L259-L271 HydrophobicContact CD2-CD1 4.09Å; H267-L271 HydrophobicContact CB-CG 4.43Å; H267-L271 PolarHBondContact O-N 3.45Å; A269-L271 PolarHBondContact O-N 3.16Å; L271-E273 VanDerWaalsContact C-N 3.35Å; L271-E273 PolarHBondContact O-N 2.61Å; L271-K274 PolarHBondContact O-N 3.48Å; L271-I275 PolarHBondContact O-N 2.68Å
272P88.6Confident83.3Confident6 Ų640.9 Ų40.94%0.03921%0.205CC..Hα-helixtrans-53.9-48169.8-2936.2000112.9L256 I260 A269 K274 I275 L276L256-P272 HydrophobicContact CD1-CB 3.8Å; I260-P272 HydrophobicContact CG2-CB 4.12Å; I260-P272 HydrophobicContact CG2-CG 3.8Å; A269-P272 WeakPolarHBondContact O-CD 3.4Å; P272-K274 VanDerWaalsContact C-N 3.28Å; P272-K274 PolarHBondContact O-N 3.16Å; P272-I275 WeakPolarHBondContact O-CA 3.34Å; P272-I275 PolarHBondContact O-N 2.69Å; P272-L276 VanDerWaalsContact O-CG 3.25Å; P272-L276 WeakPolarHBondContact O-CG 3.43Å; P272-L276 PolarHBondContact O-N 2.79Å
273E89.9Confident83.9Confident91 Ų9140.9 Ų40.943%0.42520%0.204SC..Hα-helixtrans-57.7-38.4-179.2-77.4170.3-176.400112.8A269 L271 L276 Y277A269-E273 VanDerWaalsContact O-CB 3.27Å; A269-E273 WeakPolarHBondContact O-CB 3.39Å; A269-E273 WeakPolarHBondContact O-CG 3.43Å; A269-E273 PolarHBondContact O-N 3.25Å; L271-E273 VanDerWaalsContact C-N 3.35Å; L271-E273 PolarHBondContact O-N 2.61Å; E273-L276 PolarHBondContact O-N 3.15Å; E273-Y277 WeakPolarHBondContact O-CB 3.44Å; E273-Y277 PolarHBondContact O-N 3.1Å
274K90.4Very high84.9Confident31 Ų3139.1 Ų39.114%0.13519%0.185CC..Hα-helixtrans-62.2-44.3173.4-73.6172-163.7-610111.9E226 H229 Q270 L271 P272 Y277 I278E226-K274 IonicContact OE1-NZ 2.75Å; E226-K274 WeakPolarHBondContact OE2-CD 3.4Å; E226-K274 WeakPolarHBondContact OE2-CE 3.44Å; E226-K274 IonicContact OE2-NZ 3.33Å; E226-K274 PolarHBondContact OE2-NZ 3.35Å; H229-K274 HydrophobicContact CB-CG 4.36Å; Q270-K274 VanDerWaalsContact O-CG 3.29Å; Q270-K274 WeakPolarHBondContact O-CG 3.32Å; Q270-K274 PolarHBondContact O-N 3.29Å; Q270-K274 VanDerWaalsContact O-N 3.07Å; L271-K274 PolarHBondContact O-N 3.48Å; P272-K274 VanDerWaalsContact C-N 3.28Å; P272-K274 PolarHBondContact O-N 3.16Å; K274-Y277 PolarHBondContact O-N 3.45Å; K274-I278 WeakPolarHBondContact O-CB 3.28Å; K274-I278 VanDerWaalsContact O-CD1 3.32Å; K274-I278 WeakPolarHBondContact O-CD1 3.01Å; K274-I278 WeakPolarHBondContact O-CG1 3.48Å; K274-I278 PolarHBondContact O-N 3.42Å
275I94.5Very high85.9Confident0 Ų036.2 Ų36.20%017%0.173CC..Hα-helixtrans-64.1-44176.4-63.5178.4000110.9L225 F252 K255 L256 L259 L271 P272 Y277 I278 V279L225-I275 HydrophobicContact CD1-CD1 4.13Å; L225-I275 HydrophobicContact CD1-CG1 4.13Å; L225-I275 HydrophobicContact CD2-CD1 4.16Å; L225-I275 HydrophobicContact CD2-CG1 3.71Å; F252-I275 HydrophobicContact CB-CG2 3.98Å; K255-I275 HydrophobicContact CB-CD1 3.98Å; L256-I275 HydrophobicContact CB-CD1 4.3Å; L256-I275 HydrophobicContact CB-CG2 4.01Å; L256-I275 HydrophobicContact CD1-CB 4.47Å; L259-I275 HydrophobicContact CD1-CD1 3.55Å; L271-I275 PolarHBondContact O-N 2.68Å; P272-I275 WeakPolarHBondContact O-CA 3.34Å; P272-I275 PolarHBondContact O-N 2.69Å; I275-Y277 VanDerWaalsContact C-N 3.31Å; I275-Y277 PolarHBondContact O-N 2.96Å; I275-I278 WeakPolarHBondContact O-CB 3.28Å; I275-I278 PolarHBondContact O-N 2.94Å; I275-V279 HydrophobicContact CG2-CG2 4.17Å; I275-V279 WeakPolarHBondContact O-CG2 3.27Å; I275-V279 PolarHBondContact O-N 3.41Å
276L95.5Very high87Confident4 Ų433.5 Ų33.52%0.02116%0.162CC..Hα-helixtrans-60.7-43.2178-61.5169.2000110.8L256 P272 E273 V279 K280 E327 I328 T331L256-L276 HydrophobicContact CD1-CD2 4.27Å; L256-L276 HydrophobicContact CD1-CG 4.39Å; L256-L276 HydrophobicContact CD2-CD2 3.69Å; P272-L276 VanDerWaalsContact O-CG 3.25Å; P272-L276 WeakPolarHBondContact O-CG 3.43Å; P272-L276 PolarHBondContact O-N 2.79Å; E273-L276 PolarHBondContact O-N 3.15Å; L276-V279 PolarHBondContact O-N 3.19Å; L276-K280 VanDerWaalsContact O-CB 3.27Å; L276-K280 WeakPolarHBondContact O-CB 3.39Å; L276-K280 PolarHBondContact O-N 3.27Å; L276-E327 HydrophobicContact CB-CG 4.44Å; L276-E327 HydrophobicContact CD1-CB 3.9Å; L276-E327 HydrophobicContact CD1-CG 4.02Å; L276-I328 HydrophobicContact CD1-CG1 3.74Å; L276-I328 HydrophobicContact CD2-CB 4.42Å; L276-I328 HydrophobicContact CD2-CG1 3.99Å; L276-I328 HydrophobicContact CG-CG1 4.44Å; L276-T331 HydrophobicContact CD2-CG2 3.98Å; L276-T331 VanDerWaalsContact CD2-OG1 3.28Å; L276-T331 WeakPolarHBondContact CD2-OG1 3.36Å
277Y93.4Very high88.3Confident60 Ų6035.6 Ų35.624%0.23518%0.175CC..Hα-helixtrans-60.3-46.8174.2-179.1-90.6000112.1H229 V232 E273 K274 I275 K280 R281H229-Y277 AromaticContact CD2-CD1 3.4Å; H229-Y277 WeakPolarHBondContact CD2-CD1 3.38Å; H229-Y277 AromaticContact CD2-CE1 3.79Å; H229-Y277 AromaticContact CD2-CG 3.99Å; H229-Y277 AromaticContact NE2-CD1 3.83Å; H229-Y277 AromaticContact NE2-CE1 3.93Å; V232-Y277 HydrophobicContact CG2-CD1 3.99Å; V232-Y277 HydrophobicContact CG2-CE1 3.77Å; E273-Y277 WeakPolarHBondContact O-CB 3.44Å; E273-Y277 PolarHBondContact O-N 3.1Å; K274-Y277 PolarHBondContact O-N 3.45Å; I275-Y277 VanDerWaalsContact C-N 3.31Å; I275-Y277 PolarHBondContact O-N 2.96Å; Y277-K280 PolarHBondContact O-N 3.26Å; Y277-R281 HydrophobicContact CD1-CG 4.08Å; Y277-R281 HydrophobicContact CE1-CG 3.72Å; Y277-R281 HydrophobicContact CE2-CG 4.3Å; Y277-R281 WeakPolarHBondContact O-CB 3.42Å; Y277-R281 VanDerWaalsContact O-CG 3.26Å; Y277-R281 WeakPolarHBondContact O-CG 3.34Å; Y277-R281 PolarHBondContact O-N 2.85Å; Y277-R281 PolarHBondContact OH-NE 3.02Å
278I95.4Very high89.3Confident0 Ų035 Ų350%018%0.182CC..Hα-helixtrans-57.6-53.2176.9-72.1158.1000110.4F228 V232 F252 K274 I275 K280 R281 L282F228-I278 HydrophobicContact CB-CD1 3.53Å; F228-I278 HydrophobicContact CB-CG1 4.34Å; V232-I278 HydrophobicContact CG1-CB 4.4Å; V232-I278 HydrophobicContact CG1-CG1 4.2Å; V232-I278 HydrophobicContact CG1-CG2 3.99Å; V232-I278 HydrophobicContact CG2-CG1 4.03Å; F252-I278 HydrophobicContact CD1-CG2 4.21Å; F252-I278 HydrophobicContact CD2-CG2 3.84Å; F252-I278 HydrophobicContact CE1-CD1 4.18Å; F252-I278 HydrophobicContact CE1-CG2 3.98Å; F252-I278 HydrophobicContact CE2-CG2 3.58Å; F252-I278 HydrophobicContact CG-CG2 4.17Å; F252-I278 HydrophobicContact CZ-CG2 3.68Å; K274-I278 WeakPolarHBondContact O-CB 3.28Å; K274-I278 VanDerWaalsContact O-CD1 3.32Å; K274-I278 WeakPolarHBondContact O-CD1 3.01Å; K274-I278 WeakPolarHBondContact O-CG1 3.48Å; K274-I278 PolarHBondContact O-N 3.42Å; I275-I278 WeakPolarHBondContact O-CB 3.28Å; I275-I278 PolarHBondContact O-N 2.94Å; I278-K280 VanDerWaalsContact C-N 3.34Å; I278-K280 PolarHBondContact O-N 2.96Å; I278-R281 PolarHBondContact O-N 2.79Å; I278-L282 HydrophobicContact CG2-CD1 4.11Å; I278-L282 WeakPolarHBondContact O-CG 3.43Å; I278-L282 PolarHBondContact O-N 3.02Å
279V96.7Very high90.5Very high1 Ų135.7 Ų35.71%0.00618%0.18CC..Hα-helixtrans-59.7-46.2-1791730000110.6L249 F252 I253 I275 L276 R281 L282 Y283 T331 L334 L335L249-V279 HydrophobicContact CD1-CG1 4.19Å; F252-V279 HydrophobicContact CB-CG2 4.04Å; I253-V279 HydrophobicContact CD1-CG1 4.38Å; I253-V279 HydrophobicContact CD1-CG2 3.88Å; I275-V279 HydrophobicContact CG2-CG2 4.17Å; I275-V279 WeakPolarHBondContact O-CG2 3.27Å; I275-V279 PolarHBondContact O-N 3.41Å; L276-V279 PolarHBondContact O-N 3.19Å; V279-R281 PolarHBondContact O-N 3.18Å; V279-L282 PolarHBondContact O-N 2.81Å; V279-Y283 HydrophobicContact CG1-CD2 3.81Å; V279-Y283 HydrophobicContact CG1-CE2 3.9Å; V279-Y283 WeakPolarHBondContact O-CD2 3.41Å; V279-Y283 PolarHBondContact O-N 3.17Å; V279-T331 HydrophobicContact CB-CG2 4.47Å; V279-T331 HydrophobicContact CG1-CG2 3.9Å; V279-L334 HydrophobicContact CG1-CD2 4.38Å; V279-L335 HydrophobicContact CG1-CD2 4.49Å
280K95.2Very high91.4Very high86 Ų8637.2 Ų37.237%0.37419%0.189SC..Hα-helixtrans-57-47.4177.2-176.2176.5-178.5173.70112L276 Y277 I278 L282 Y283 E284 L334L276-K280 VanDerWaalsContact O-CB 3.27Å; L276-K280 WeakPolarHBondContact O-CB 3.39Å; L276-K280 PolarHBondContact O-N 3.27Å; Y277-K280 PolarHBondContact O-N 3.26Å; I278-K280 VanDerWaalsContact C-N 3.34Å; I278-K280 PolarHBondContact O-N 2.96Å; K280-L282 VanDerWaalsContact C-N 3.34Å; K280-L282 PolarHBondContact O-N 3.01Å; K280-Y283 PolarHBondContact O-N 2.85Å; K280-E284 WeakPolarHBondContact CE-OE1 3.5Å; K280-E284 WeakPolarHBondContact O-CG 3.31Å; K280-E284 PolarHBondContact O-N 3.4Å; K280-L334 HydrophobicContact CB-CD2 4.47Å
281R92.9Very high91.7Very high49 Ų4937.9 Ų37.919%0.18520%0.196CC..Hα-helixtrans-64.7-36.8178.8-69.8-69.1165.2-165.5-2113V232 Y277 I278 V279 E284 E285V232-R281 HydrophobicContact CB-CB 4.29Å; V232-R281 HydrophobicContact CG2-CB 4.4Å; V232-R281 HydrophobicContact CG2-CG 4.47Å; Y277-R281 HydrophobicContact CD1-CG 4.08Å; Y277-R281 HydrophobicContact CE1-CG 3.72Å; Y277-R281 HydrophobicContact CE2-CG 4.3Å; Y277-R281 WeakPolarHBondContact O-CB 3.42Å; Y277-R281 VanDerWaalsContact O-CG 3.26Å; Y277-R281 WeakPolarHBondContact O-CG 3.34Å; Y277-R281 PolarHBondContact O-N 2.85Å; Y277-R281 PolarHBondContact OH-NE 3.02Å; I278-R281 PolarHBondContact O-N 2.79Å; V279-R281 PolarHBondContact O-N 3.18Å; R281-E284 WeakPolarHBondContact CD-OE2 3.36Å; R281-E284 IonicContact CZ-OE2 3.65Å; R281-E284 IonicContact NE-OE2 2.74Å; R281-E284 IonicContact NH1-OE1 3.57Å; R281-E284 IonicContact NH1-OE2 3.61Å; R281-E284 PolarHBondContact NH1-OE2 3.4Å; R281-E285 PolarHBondContact O-N 3.2Å; R281-E285 VanDerWaalsContact O-N 3.16Å
282L95.3Very high91.9Very high0 Ų043.7 Ų43.70%023%0.227CC..Hα-helixtrans-65.9-43.4175-67.3178.1000111.3V232 R238 L241 L242 F252 I278 V279 K280 E285 A286 F297V232-L282 HydrophobicContact CG1-CD2 4.45Å; R238-L282 HydrophobicContact CB-CD2 4.38Å; L241-L282 HydrophobicContact CB-CD2 3.66Å; L241-L282 HydrophobicContact CD1-CD2 4.1Å; L242-L282 HydrophobicContact CD2-CB 4.18Å; L242-L282 HydrophobicContact CD2-CD2 4.25Å; F252-L282 HydrophobicContact CD2-CD1 4.25Å; F252-L282 HydrophobicContact CE2-CD1 4.12Å; I278-L282 HydrophobicContact CG2-CD1 4.11Å; I278-L282 WeakPolarHBondContact O-CG 3.43Å; I278-L282 PolarHBondContact O-N 3.02Å; V279-L282 PolarHBondContact O-N 2.81Å; K280-L282 VanDerWaalsContact C-N 3.34Å; K280-L282 PolarHBondContact O-N 3.01Å; L282-E285 PolarHBondContact O-N 3.16Å; L282-A286 VanDerWaalsContact O-CB 3.23Å; L282-A286 WeakPolarHBondContact O-CB 3.46Å; L282-A286 PolarHBondContact O-N 2.94Å; L282-F297 HydrophobicContact CB-CZ 4.03Å; L282-F297 HydrophobicContact CD1-CZ 4.46Å
283Y94.2Very high92Very high1 Ų148.3 Ų48.30%0.00425%0.248CC..Hα-helixtrans-64.9-41.2175.5-91.9-86.5000113L249 V279 K280 E285 A286 V287 F294 V298 L334 L335 L337 R342L249-Y283 HydrophobicContact CD1-CE2 3.8Å; L249-Y283 HydrophobicContact CD2-CE2 4.41Å; V279-Y283 HydrophobicContact CG1-CD2 3.81Å; V279-Y283 HydrophobicContact CG1-CE2 3.9Å; V279-Y283 WeakPolarHBondContact O-CD2 3.41Å; V279-Y283 PolarHBondContact O-N 3.17Å; K280-Y283 PolarHBondContact O-N 2.85Å; Y283-E285 VanDerWaalsContact C-N 3.26Å; Y283-E285 PolarHBondContact O-N 2.98Å; Y283-A286 PolarHBondContact O-N 3.13Å; Y283-V287 VanDerWaalsContact O-CG2 3.27Å; Y283-V287 WeakPolarHBondContact O-CG2 3.47Å; Y283-V287 PolarHBondContact O-N 3.12Å; Y283-F294 HydrophobicContact CD1-CE2 4.17Å; Y283-F294 HydrophobicContact CD1-CZ 4.09Å; Y283-F294 HydrophobicContact CE1-CE2 4.41Å; Y283-F294 AromaticContact CE1-CZ 3.99Å; Y283-F294 HydrophobicContact CE1-CZ 3.99Å; Y283-V298 HydrophobicContact CE1-CG1 4.02Å; Y283-L334 HydrophobicContact CD1-CD1 4.05Å; Y283-L334 HydrophobicContact CD1-CG 3.9Å; Y283-L334 HydrophobicContact CD2-CD2 3.6Å; Y283-L334 HydrophobicContact CD2-CG 3.72Å; Y283-L334 HydrophobicContact CE1-CG 4.36Å; Y283-L334 WeakPolarHBondContact CE1-O 3.22Å; Y283-L334 HydrophobicContact CE2-CD2 4.34Å; Y283-L334 HydrophobicContact CE2-CG 4.19Å; Y283-L334 HydrophobicContact CG-CD1 3.89Å; Y283-L334 HydrophobicContact CG-CD2 3.72Å; Y283-L334 HydrophobicContact CG-CG 3.56Å; Y283-L335 HydrophobicContact CE2-CD2 3.94Å; Y283-L337 HydrophobicContact CD1-CD1 4.16Å; Y283-L337 HydrophobicContact CE1-CB 4.08Å; Y283-L337 HydrophobicContact CE1-CD1 4.42Å; Y283-R342 PolarHBondContact OH-NH1 3.27Å
284E91.2Very high92Very high93 Ų9344 Ų4444%0.43523%0.228SC..Hα-helixtrans-56.9-40.9175.2-75.4171.6-176.200111.6K280 R281K280-E284 WeakPolarHBondContact CE-OE1 3.5Å; K280-E284 WeakPolarHBondContact O-CG 3.31Å; K280-E284 PolarHBondContact O-N 3.4Å; R281-E284 WeakPolarHBondContact CD-OE2 3.36Å; R281-E284 IonicContact CZ-OE2 3.65Å; R281-E284 IonicContact NE-OE2 2.74Å; R281-E284 IonicContact NH1-OE1 3.57Å; R281-E284 IonicContact NH1-OE2 3.61Å; R281-E284 PolarHBondContact NH1-OE2 3.4Å
285E91.3Very high92Very high20 Ų2047.6 Ų47.69%0.09324%0.244CC..Hα-helixtrans-74.4-41175.1-164.773.6-139.700111.7K235 R238 L242 R281 L282 Y283 V287 S288K235-E285 WeakPolarHBondContact CE-OE1 3.36Å; R238-E285 HydrophobicContact CB-CB 4.13Å; R238-E285 HydrophobicContact CB-CG 3.93Å; R238-E285 IonicContact CZ-OE2 3.61Å; R238-E285 VanDerWaalsContact CZ-OE2 3.22Å; R238-E285 IonicContact NE-OE2 3.77Å; R238-E285 PolarHBondContact NE-OE2 2.89Å; R238-E285 IonicContact NH2-OE2 2.61Å; R238-E285 PolarHBondContact NH2-OE2 2.78Å; L242-E285 HydrophobicContact CD1-CB 4.13Å; L242-E285 HydrophobicContact CD1-CG 3.92Å; R281-E285 PolarHBondContact O-N 3.2Å; R281-E285 VanDerWaalsContact O-N 3.16Å; L282-E285 PolarHBondContact O-N 3.16Å; Y283-E285 VanDerWaalsContact C-N 3.26Å; Y283-E285 PolarHBondContact O-N 2.98Å; E285-V287 VanDerWaalsContact C-N 3.31Å; E285-V287 PolarHBondContact O-N 3.42Å; E285-S288 WeakPolarHBondContact O-CB 3.34Å; E285-S288 PolarHBondContact O-N 3.39Å; E285-S288 PolarHBondContact O-OG 3.02Å
286A91.6Very high91.8Very high0 Ų052.1 Ų52.10%027%0.267CS..Hα-helixtrans-63.1-35.5-177.900000112.6L242 L282 Y283 S288 L289 F294 F297L242-A286 HydrophobicContact CD1-CB 4.19Å; L242-A286 HydrophobicContact CD2-CB 3.87Å; L282-A286 VanDerWaalsContact O-CB 3.23Å; L282-A286 WeakPolarHBondContact O-CB 3.46Å; L282-A286 PolarHBondContact O-N 2.94Å; Y283-A286 PolarHBondContact O-N 3.13Å; A286-S288 PolarHBondContact O-N 2.77Å; A286-L289 VanDerWaalsContact O-CB 3.27Å; A286-L289 WeakPolarHBondContact O-CB 3.45Å; A286-L289 WeakPolarHBondContact O-CG 3.43Å; A286-L289 PolarHBondContact O-N 3.13Å; A286-F294 HydrophobicContact CB-CD2 3.67Å; A286-F294 HydrophobicContact CB-CE2 3.79Å; A286-F294 WeakPolarHBondContact O-CD2 3.13Å; A286-F297 HydrophobicContact CB-CD1 3.8Å; A286-F297 HydrophobicContact CB-CE1 4.02Å
287V88.3Confident91.6Very high56 Ų5652 Ų5234%0.33927%0.267SS..THydrogen-bonded Turntrans-60.2-17.6176.6169.90000112.4Y283 E285 F294Y283-V287 VanDerWaalsContact O-CG2 3.27Å; Y283-V287 WeakPolarHBondContact O-CG2 3.47Å; Y283-V287 PolarHBondContact O-N 3.12Å; E285-V287 VanDerWaalsContact C-N 3.31Å; E285-V287 PolarHBondContact O-N 3.42Å; V287-F294 HydrophobicContact CG2-CE2 4.01Å
288S87.2Confident91.5Very high85 Ų8549.1 Ų49.159%0.59426%0.256SS*.THydrogen-bonded Turntrans-85.5-7.6174.475.90000115E285 A286E285-S288 WeakPolarHBondContact O-CB 3.34Å; E285-S288 PolarHBondContact O-N 3.39Å; E285-S288 PolarHBondContact O-OG 3.02Å; A286-S288 PolarHBondContact O-N 2.77Å
289L90.1Very high91.2Very high49 Ų4953.4 Ų53.426%0.25728%0.278SS..SBendtrans-77.5170.4176-60.4179.1000111.6L242 A286 E293L242-L289 HydrophobicContact CB-CD1 4.38Å; L242-L289 HydrophobicContact CD1-CD1 3.78Å; L242-L289 HydrophobicContact CD1-CG 4.28Å; A286-L289 VanDerWaalsContact O-CB 3.27Å; A286-L289 WeakPolarHBondContact O-CB 3.45Å; A286-L289 WeakPolarHBondContact O-CG 3.43Å; A286-L289 PolarHBondContact O-N 3.13Å; L289-E293 HydrophobicContact CB-CB 3.96Å; L289-E293 HydrophobicContact CD1-CB 4.17Å
290S91Very high91Very high58 Ų5855 Ų5541%0.40629%0.285SS..  trans-66.1158.8168.965.90000111.8D292 E293 F294S290-D292 PolarHBondContact O-N 2.92Å; S290-E293 WeakPolarHBondContact CB-OE2 3.35Å; S290-E293 PolarHBondContact N-OE2 2.89Å; S290-E293 VanDerWaalsContact N-OE2 3.09Å; S290-E293 PolarHBondContact O-N 2.9Å; S290-E293 WeakPolarHBondContact OG-CB 3.43Å; S290-E293 WeakPolarHBondContact OG-CG 3.39Å; S290-E293 PolarHBondContact OG-OE2 3.07Å; S290-F294 PolarHBondContact O-N 2.89Å
291D87.5Confident90.8Very high103 Ų10355 Ų5555%0.55129%0.294SS*.Hα-helixtrans-59.4-36.5-175.4-73.5-10.8000113K295 F386D291-K295 WeakPolarHBondContact O-CB 3.46Å; D291-K295 PolarHBondContact O-N 2.75Å; D291-K295 VanDerWaalsContact O-N 3.11Å; D291-F386 HydrophobicContact CB-CZ 4.23Å
292D88.8Confident90.7Very high125 Ų12556.8 Ų56.867%0.66831%0.305SS*.Hα-helixtrans-70.3-45.5177.7-67.6-38.3000111.5S290 F294 K295 D296S290-D292 PolarHBondContact O-N 2.92Å; D292-F294 PolarHBondContact O-N 3.49Å; D292-K295 WeakPolarHBondContact O-CB 3.48Å; D292-K295 PolarHBondContact O-N 3.33Å; D292-D296 PolarHBondContact O-N 3.06Å
293E90.8Very high90.6Very high103 Ų10356.8 Ų56.848%0.48131%0.305SS..Hα-helixtrans-64.8-39.7177.5-70.8170.1134.600112.3L289 S290 K295 D296 F297L289-E293 HydrophobicContact CB-CB 3.96Å; L289-E293 HydrophobicContact CD1-CB 4.17Å; S290-E293 WeakPolarHBondContact CB-OE2 3.35Å; S290-E293 PolarHBondContact N-OE2 2.89Å; S290-E293 VanDerWaalsContact N-OE2 3.09Å; S290-E293 PolarHBondContact O-N 2.9Å; S290-E293 WeakPolarHBondContact OG-CB 3.43Å; S290-E293 WeakPolarHBondContact OG-CG 3.39Å; S290-E293 PolarHBondContact OG-OE2 3.07Å; E293-K295 VanDerWaalsContact C-N 3.29Å; E293-K295 PolarHBondContact O-N 3.07Å; E293-D296 PolarHBondContact O-N 3.39Å; E293-F297 PolarHBondContact O-N 2.88Å; E293-F297 VanDerWaalsContact O-N 3.08Å
294F91.6Very high90.6Very high0 Ų056.9 Ų56.90%031%0.306CS..Hα-helixtrans-60.5-43.7173.8-179.3-95.9000110.7Y283 A286 V287 S290 D292 F297 V298 L337 F386Y283-F294 HydrophobicContact CD1-CE2 4.17Å; Y283-F294 HydrophobicContact CD1-CZ 4.09Å; Y283-F294 HydrophobicContact CE1-CE2 4.41Å; Y283-F294 AromaticContact CE1-CZ 3.99Å; Y283-F294 HydrophobicContact CE1-CZ 3.99Å; A286-F294 HydrophobicContact CB-CD2 3.67Å; A286-F294 HydrophobicContact CB-CE2 3.79Å; A286-F294 WeakPolarHBondContact O-CD2 3.13Å; V287-F294 HydrophobicContact CG2-CE2 4.01Å; S290-F294 PolarHBondContact O-N 2.89Å; D292-F294 PolarHBondContact O-N 3.49Å; F294-F297 PolarHBondContact O-N 3.45Å; F294-V298 HydrophobicContact CD1-CG1 4.44Å; F294-V298 HydrophobicContact CD1-CG2 4.43Å; F294-V298 HydrophobicContact CE1-CG1 4.07Å; F294-V298 HydrophobicContact CE1-CG2 4.3Å; F294-V298 HydrophobicContact CE2-CG1 4.33Å; F294-V298 HydrophobicContact CZ-CG1 4.02Å; F294-V298 WeakPolarHBondContact O-CG1 3.43Å; F294-V298 WeakPolarHBondContact O-CG2 3.4Å; F294-V298 PolarHBondContact O-N 3.2Å; F294-L337 HydrophobicContact CE1-CB 4.2Å; F294-L337 HydrophobicContact CZ-CB 3.88Å; F294-F386 HydrophobicContact CB-CE2 3.92Å; F294-F386 HydrophobicContact CB-CZ 3.85Å; F294-F386 AromaticContact CD1-CD1 3.97Å; F294-F386 HydrophobicContact CD1-CD1 3.97Å; F294-F386 AromaticContact CD1-CD2 3.64Å; F294-F386 HydrophobicContact CD1-CD2 3.64Å; F294-F386 AromaticContact CD1-CE1 3.63Å; F294-F386 HydrophobicContact CD1-CE1 3.63Å; F294-F386 AromaticContact CD1-CE2 3.28Å; F294-F386 HydrophobicContact CD1-CE2 3.28Å; F294-F386 AromaticContact CD1-CG 3.97Å; F294-F386 HydrophobicContact CD1-CG 3.97Å; F294-F386 AromaticContact CD1-CZ 3.27Å; F294-F386 HydrophobicContact CD1-CZ 3.27Å; F294-F386 HydrophobicContact CD2-CD2 4.48Å; F294-F386 HydrophobicContact CD2-CE2 4.12Å; F294-F386 HydrophobicContact CE1-CB 4.33Å; F294-F386 AromaticContact CE1-CD1 3.93Å; F294-F386 HydrophobicContact CE1-CD1 3.93Å; F294-F386 AromaticContact CE1-CD2 3.54Å; F294-F386 HydrophobicContact CE1-CD2 3.54Å; F294-F386 HydrophobicContact CE1-CE1 4.09Å; F294-F386 AromaticContact CE1-CE2 3.73Å; F294-F386 HydrophobicContact CE1-CE2 3.73Å; F294-F386 AromaticContact CE1-CG 3.64Å; F294-F386 HydrophobicContact CE1-CG 3.64Å; F294-F386 AromaticContact CE1-CZ 3.99Å; F294-F386 HydrophobicContact CE1-CZ 3.99Å; F294-F386 HydrophobicContact CE2-CD2 4.41Å; F294-F386 HydrophobicContact CE2-CE2 4.49Å; F294-F386 HydrophobicContact CG-CD2 4.12Å; F294-F386 HydrophobicContact CG-CE1 4.49Å; F294-F386 AromaticContact CG-CE2 3.49Å; F294-F386 HydrophobicContact CG-CE2 3.49Å; F294-F386 VanDerWaalsContact CG-CE2 3.49Å; F294-F386 AromaticContact CG-CZ 3.71Å; F294-F386 HydrophobicContact CG-CZ 3.71Å; F294-F386 AromaticContact CZ-CD2 3.95Å; F294-F386 HydrophobicContact CZ-CD2 3.95Å; F294-F386 HydrophobicContact CZ-CE2 4.31Å; F294-F386 HydrophobicContact CZ-CG 4.31Å
295K89.1Confident90.7Very high107 Ų10756.4 Ų56.447%0.46531%0.309SS..Hα-helixtrans-61.8-45.9178.4-168.6-179.3177-172.80111.2D291 D292 E293 F297 V298 D299D291-K295 WeakPolarHBondContact O-CB 3.46Å; D291-K295 PolarHBondContact O-N 2.75Å; D291-K295 VanDerWaalsContact O-N 3.11Å; D292-K295 WeakPolarHBondContact O-CB 3.48Å; D292-K295 PolarHBondContact O-N 3.33Å; E293-K295 VanDerWaalsContact C-N 3.29Å; E293-K295 PolarHBondContact O-N 3.07Å; K295-F297 VanDerWaalsContact C-N 3.29Å; K295-F297 PolarHBondContact O-N 2.92Å; K295-V298 WeakPolarHBondContact O-CG2 3.39Å; K295-V298 PolarHBondContact O-N 2.89Å; K295-D299 VanDerWaalsContact O-CB 3.23Å; K295-D299 WeakPolarHBondContact O-CB 3.43Å; K295-D299 PolarHBondContact O-N 3.42Å
296D90.5Very high90.7Very high94 Ų9455.5 Ų55.550%0.50331%0.305SS..Hα-helixtrans-61.4-36.2178.5-72.7-13.7000112.6P244 D292 E293 V298P244-D296 HydrophobicContact CG-CB 3.81Å; D292-D296 PolarHBondContact O-N 3.06Å; E293-D296 PolarHBondContact O-N 3.39Å; D296-V298 VanDerWaalsContact C-N 3.32Å; D296-V298 PolarHBondContact O-N 3.27Å
297F92.5Very high90.9Very high2 Ų255.5 Ų55.51%0.00931%0.305CS..Hα-helixtrans-67-31174.5168.6-110.2000113.1L242 L249 L282 A286 E293 F294 K295 F300L242-F297 HydrophobicContact CB-CD2 4.3Å; L242-F297 HydrophobicContact CD2-CD1 4.09Å; L242-F297 HydrophobicContact CD2-CD2 3.81Å; L242-F297 HydrophobicContact CD2-CE1 3.91Å; L242-F297 HydrophobicContact CD2-CE2 3.6Å; L242-F297 HydrophobicContact CD2-CG 4.06Å; L242-F297 HydrophobicContact CD2-CZ 3.66Å; L249-F297 HydrophobicContact CB-CE2 4.2Å; L249-F297 HydrophobicContact CB-CZ 4.08Å; L282-F297 HydrophobicContact CB-CZ 4.03Å; L282-F297 HydrophobicContact CD1-CZ 4.46Å; A286-F297 HydrophobicContact CB-CD1 3.8Å; A286-F297 HydrophobicContact CB-CE1 4.02Å; E293-F297 PolarHBondContact O-N 2.88Å; E293-F297 VanDerWaalsContact O-N 3.08Å; F294-F297 PolarHBondContact O-N 3.45Å; K295-F297 VanDerWaalsContact C-N 3.29Å; K295-F297 PolarHBondContact O-N 2.92Å; F297-F300 WeakPolarHBondContact O-CD2 3.46Å; F297-F300 WeakPolarHBondContact O-CE2 3.31Å
298V91.4Very high91.2Very high0 Ų055.3 Ų55.30%030%0.304CS..Hα-helixtrans-102.8-14-173.5-54.10000114.3L249 Y283 F294 K295 D296 F300 R342L249-V298 HydrophobicContact CD2-CB 4.38Å; L249-V298 HydrophobicContact CD2-CG1 4.43Å; Y283-V298 HydrophobicContact CE1-CG1 4.02Å; F294-V298 HydrophobicContact CD1-CG1 4.44Å; F294-V298 HydrophobicContact CD1-CG2 4.43Å; F294-V298 HydrophobicContact CE1-CG1 4.07Å; F294-V298 HydrophobicContact CE1-CG2 4.3Å; F294-V298 HydrophobicContact CE2-CG1 4.33Å; F294-V298 HydrophobicContact CZ-CG1 4.02Å; F294-V298 WeakPolarHBondContact O-CG1 3.43Å; F294-V298 WeakPolarHBondContact O-CG2 3.4Å; F294-V298 PolarHBondContact O-N 3.2Å; K295-V298 WeakPolarHBondContact O-CG2 3.39Å; K295-V298 PolarHBondContact O-N 2.89Å; D296-V298 VanDerWaalsContact C-N 3.32Å; D296-V298 PolarHBondContact O-N 3.27Å; V298-F300 VanDerWaalsContact C-N 3.3Å; V298-F300 PolarHBondContact O-N 2.91Å; V298-R342 VanDerWaalsContact CB-NH2 3.32Å; V298-R342 PolarHBondContact O-NH2 3.35Å
299D88.4Confident91.5Very high89 Ų8955.3 Ų55.348%0.47629%0.291SS..  trans-77.972.4-173-165.720.2000113K295K295-D299 VanDerWaalsContact O-CB 3.23Å; K295-D299 WeakPolarHBondContact O-CB 3.43Å; K295-D299 PolarHBondContact O-N 3.42Å
300F92.4Very high91.7Very high35 Ų3553 Ų5315%0.15428%0.279CS..  trans-126.7109.5178.4-68.6-70.6000111.7K247 P250 F297 V298 Q302 V303K247-F300 HydrophobicContact CB-CE1 4.37Å; K247-F300 HydrophobicContact CB-CZ 4.43Å; K247-F300 HydrophobicContact CD-CE1 4.38Å; K247-F300 HydrophobicContact CG-CE1 3.81Å; K247-F300 HydrophobicContact CG-CZ 4.11Å; P250-F300 HydrophobicContact CB-CB 4.36Å; P250-F300 HydrophobicContact CB-CG 4.49Å; P250-F300 HydrophobicContact CG-CB 4.2Å; P250-F300 HydrophobicContact CG-CD1 4.01Å; P250-F300 HydrophobicContact CG-CD2 4.07Å; P250-F300 HydrophobicContact CG-CE1 4.44Å; P250-F300 HydrophobicContact CG-CE2 4.46Å; P250-F300 HydrophobicContact CG-CG 3.82Å; F297-F300 WeakPolarHBondContact O-CD2 3.46Å; F297-F300 WeakPolarHBondContact O-CE2 3.31Å; V298-F300 VanDerWaalsContact C-N 3.3Å; V298-F300 PolarHBondContact O-N 2.91Å; F300-Q302 PolarHBondContact O-N 3.31Å; F300-Q302 VanDerWaalsContact O-N 3.13Å; F300-V303 HydrophobicContact CB-CG2 3.82Å; F300-V303 WeakPolarHBondContact O-CB 3.47Å; F300-V303 PolarHBondContact O-N 3.32Å
301P90.1Very high91.9Very high86 Ų8650.3 Ų50.356%0.55826%0.26SS*.Hα-helixtrans-57.6-30.3179.6-27.634.6000114.4V303 A304 V305P301-V303 PolarHBondContact O-N 3Å; P301-A304 WeakPolarHBondContact O-CB 3.49Å; P301-A304 PolarHBondContact O-N 3.43Å; P301-A304 VanDerWaalsContact O-N 3.09Å; P301-V305 PolarHBondContact O-N 3.12Å
302Q90.9Very high92.1Very high86 Ų8649.6 Ų49.640%0.40226%0.256SS..Hα-helixtrans-58.1-36.3176-179.154.454.700112P250 F300 A304 V305 D306P250-Q302 HydrophobicContact CB-CB 4.46Å; F300-Q302 PolarHBondContact O-N 3.31Å; F300-Q302 VanDerWaalsContact O-N 3.13Å; Q302-A304 VanDerWaalsContact C-N 3.27Å; Q302-A304 PolarHBondContact O-N 2.95Å; Q302-V305 WeakPolarHBondContact O-CB 3.44Å; Q302-V305 PolarHBondContact O-N 3.38Å; Q302-D306 PolarHBondContact NE2-OD1 3.28Å; Q302-D306 PolarHBondContact NE2-OD2 3.27Å; Q302-D306 VanDerWaalsContact NE2-OD2 3.14Å; Q302-D306 PolarHBondContact O-N 2.9Å; Q302-D306 VanDerWaalsContact O-OD2 3.13Å
303V93.9Very high92.3Very high0 Ų046 Ų460%023%0.234CC..Hα-helixtrans-66.2-32.5179.3-178.30000110.9L249 P250 F300 P301 D306 L307 L335L249-V303 HydrophobicContact CD2-CG2 4.46Å; L249-V303 HydrophobicContact CG-CG2 4.3Å; P250-V303 HydrophobicContact CB-CG2 3.93Å; F300-V303 HydrophobicContact CB-CG2 3.82Å; F300-V303 WeakPolarHBondContact O-CB 3.47Å; F300-V303 PolarHBondContact O-N 3.32Å; P301-V303 PolarHBondContact O-N 3Å; V303-D306 PolarHBondContact O-N 3.26Å; V303-L307 VanDerWaalsContact O-CB 3.23Å; V303-L307 WeakPolarHBondContact O-CB 3.45Å; V303-L307 PolarHBondContact O-N 2.86Å; V303-L335 HydrophobicContact CG1-CD1 4.49Å; V303-L335 HydrophobicContact CG1-CD2 4.03Å
304A93.2Very high92.3Very high4 Ų441 Ų413%0.03321%0.211CC..Hα-helixtrans-65-42.217500000111.7P301 Q302 L307 V308 R342 L345P301-A304 WeakPolarHBondContact O-CB 3.49Å; P301-A304 PolarHBondContact O-N 3.43Å; P301-A304 VanDerWaalsContact O-N 3.09Å; Q302-A304 VanDerWaalsContact C-N 3.27Å; Q302-A304 PolarHBondContact O-N 2.95Å; A304-L307 PolarHBondContact O-N 3.49Å; A304-V308 WeakPolarHBondContact O-CG2 3.47Å; A304-V308 PolarHBondContact O-N 2.83Å; A304-V308 VanDerWaalsContact O-N 3.14Å; A304-R342 HydrophobicContact CB-CG 3.97Å; A304-L345 HydrophobicContact CB-CD1 3.78Å
305V93.3Very high92.2Very high83 Ų8344.3 Ų44.350%0.50323%0.227SC..Hα-helixtrans-62.4-44.8174.7179.80000111P301 Q302 L307 V308 W309P301-V305 PolarHBondContact O-N 3.12Å; Q302-V305 WeakPolarHBondContact O-CB 3.44Å; Q302-V305 PolarHBondContact O-N 3.38Å; V305-L307 VanDerWaalsContact C-N 3.35Å; V305-V308 PolarHBondContact O-N 3.22Å; V305-W309 PolarHBondContact O-N 2.8Å; V305-W309 VanDerWaalsContact O-N 3.13Å
306D93.2Very high92Very high0 Ų041 Ų410%022%0.222CC..Hα-helixtrans-65.9-38.3178.7-66.4-37.7000112I253 R257 Q302 V303 V308 W309 L310I253-D306 HydrophobicContact CG2-CB 3.59Å; R257-D306 WeakPolarHBondContact CD-OD1 3.24Å; R257-D306 IonicContact CZ-OD1 2.92Å; R257-D306 IonicContact NE-OD1 3.04Å; R257-D306 PolarHBondContact NE-OD1 2.76Å; R257-D306 VanDerWaalsContact NE-OD1 3.14Å; R257-D306 IonicContact NH1-OD1 2.67Å; R257-D306 PolarHBondContact NH1-OD1 2.84Å; R257-D306 IonicContact NH2-OD1 3.69Å; Q302-D306 PolarHBondContact NE2-OD1 3.28Å; Q302-D306 PolarHBondContact NE2-OD2 3.27Å; Q302-D306 VanDerWaalsContact NE2-OD2 3.14Å; Q302-D306 PolarHBondContact O-N 2.9Å; Q302-D306 VanDerWaalsContact O-OD2 3.13Å; V303-D306 PolarHBondContact O-N 3.26Å; D306-V308 PolarHBondContact O-N 3.49Å; D306-W309 WeakPolarHBondContact O-CB 3.41Å; D306-W309 PolarHBondContact O-N 2.77Å; D306-L310 WeakPolarHBondContact O-CB 3.49Å; D306-L310 VanDerWaalsContact O-CG 3.26Å; D306-L310 WeakPolarHBondContact O-CG 3.25Å; D306-L310 PolarHBondContact O-N 2.75Å
307L94.3Very high91.4Very high0 Ų044.8 Ų44.80%024%0.243CC..Hα-helixtrans-61.1-45.8176.9-168.5157.1000111.4V303 A304 V305 W309 L310 L311 V332 L335 R342 V346V303-L307 VanDerWaalsContact O-CB 3.23Å; V303-L307 WeakPolarHBondContact O-CB 3.45Å; V303-L307 PolarHBondContact O-N 2.86Å; A304-L307 PolarHBondContact O-N 3.49Å; V305-L307 VanDerWaalsContact C-N 3.35Å; L307-W309 VanDerWaalsContact C-N 3.31Å; L307-W309 PolarHBondContact O-N 2.8Å; L307-L310 PolarHBondContact O-N 3.17Å; L307-L311 HydrophobicContact CD2-CD1 3.49Å; L307-L311 VanDerWaalsContact CD2-CD1 3.49Å; L307-L311 HydrophobicContact CD2-CG 4.03Å; L307-L311 WeakPolarHBondContact O-CG 3.45Å; L307-L311 PolarHBondContact O-N 2.68Å; L307-V332 HydrophobicContact CD1-CG1 4.28Å; L307-V332 HydrophobicContact CD2-CG1 4.15Å; L307-V332 HydrophobicContact CG-CG1 4.02Å; L307-L335 HydrophobicContact CD1-CB 4.09Å; L307-R342 HydrophobicContact CD1-CB 4.3Å; L307-R342 HydrophobicContact CD1-CG 4.32Å; L307-V346 HydrophobicContact CD1-CG2 4.25Å; L307-V346 HydrophobicContact CD2-CG2 3.57Å
308V94.5Very high90.7Very high53 Ų5345.6 Ų45.632%0.32125%0.248SC..Hα-helixtrans-62.2-40.8176.3173.60000111.1A304 V305 D306 N312 L345A304-V308 WeakPolarHBondContact O-CG2 3.47Å; A304-V308 PolarHBondContact O-N 2.83Å; A304-V308 VanDerWaalsContact O-N 3.14Å; V305-V308 PolarHBondContact O-N 3.22Å; D306-V308 PolarHBondContact O-N 3.49Å; V308-N312 PolarHBondContact O-N 2.89Å; V308-N312 VanDerWaalsContact O-N 3.13Å; V308-N312 PolarHBondContact O-ND2 3.06Å; V308-L345 HydrophobicContact CG2-CD1 4.16Å; V308-L345 HydrophobicContact CG2-CD2 4.11Å
309W94.2Very high90.1Very high84 Ų8452.6 Ų52.632%0.31829%0.286SS..Hα-helixtrans-62.7-45.9174.9-173.697.5000111.4R257 I260 V305 D306 L307 L311 N312 F313R257-W309 HydrophobicContact CB-CE3 4.31Å; R257-W309 HydrophobicContact CB-CZ3 4.34Å; R257-W309 HydrophobicContact CG-CD2 3.72Å; R257-W309 HydrophobicContact CG-CE3 3.48Å; R257-W309 VanDerWaalsContact CG-CE3 3.48Å; R257-W309 HydrophobicContact CG-CG 4.38Å; R257-W309 HydrophobicContact CG-CH2 4.08Å; R257-W309 HydrophobicContact CG-CZ2 4.29Å; R257-W309 HydrophobicContact CG-CZ3 3.67Å; I260-W309 HydrophobicContact CD1-CZ3 3.97Å; I260-W309 HydrophobicContact CG1-CH2 4.12Å; I260-W309 HydrophobicContact CG1-CZ3 3.84Å; V305-W309 PolarHBondContact O-N 2.8Å; V305-W309 VanDerWaalsContact O-N 3.13Å; D306-W309 WeakPolarHBondContact O-CB 3.41Å; D306-W309 PolarHBondContact O-N 2.77Å; L307-W309 VanDerWaalsContact C-N 3.31Å; L307-W309 PolarHBondContact O-N 2.8Å; W309-L311 PolarHBondContact O-N 2.81Å; W309-N312 PolarHBondContact O-N 2.84Å; W309-F313 HydrophobicContact CD2-CB 4.23Å; W309-F313 HydrophobicContact CE3-CB 3.88Å; W309-F313 HydrophobicContact CE3-CG 4.31Å; W309-F313 HydrophobicContact CH2-CB 3.88Å; W309-F313 AromaticContact CH2-CD1 3.7Å; W309-F313 HydrophobicContact CH2-CD1 3.7Å; W309-F313 AromaticContact CH2-CD2 3.64Å; W309-F313 HydrophobicContact CH2-CD2 3.64Å; W309-F313 HydrophobicContact CH2-CE1 4.08Å; W309-F313 HydrophobicContact CH2-CE2 4.06Å; W309-F313 AromaticContact CH2-CG 3.45Å; W309-F313 HydrophobicContact CH2-CG 3.45Å; W309-F313 VanDerWaalsContact CH2-CG 3.45Å; W309-F313 HydrophobicContact CH2-CZ 4.26Å; W309-F313 HydrophobicContact CZ2-CB 4.22Å; W309-F313 AromaticContact CZ2-CD2 3.88Å; W309-F313 HydrophobicContact CZ2-CD2 3.88Å; W309-F313 HydrophobicContact CZ2-CE2 4.43Å; W309-F313 HydrophobicContact CZ2-CG 4Å; W309-F313 HydrophobicContact CZ3-CB 3.7Å; W309-F313 AromaticContact CZ3-CD1 3.67Å; W309-F313 HydrophobicContact CZ3-CD1 3.67Å; W309-F313 HydrophobicContact CZ3-CD2 4.29Å; W309-F313 HydrophobicContact CZ3-CE1 4.34Å; W309-F313 AromaticContact CZ3-CG 3.62Å; W309-F313 HydrophobicContact CZ3-CG 3.62Å; W309-F313 WeakPolarHBondContact O-CB 3.46Å; W309-F313 PolarHBondContact O-N 3.07Å
310L95Very high89.8Confident1 Ų149.1 Ų49.11%0.00527%0.267CS..Hα-helixtrans-59.3-47.2179-72.9172.5000111.2I253 I260 D306 L307 N312 F313 L314 I328 V332I253-L310 HydrophobicContact CG2-CD1 4.39Å; I260-L310 HydrophobicContact CD1-CD2 3.38Å; I260-L310 HydrophobicContact CG1-CD2 4.47Å; D306-L310 WeakPolarHBondContact O-CB 3.49Å; D306-L310 VanDerWaalsContact O-CG 3.26Å; D306-L310 WeakPolarHBondContact O-CG 3.25Å; D306-L310 PolarHBondContact O-N 2.75Å; L307-L310 PolarHBondContact O-N 3.17Å; L310-N312 PolarHBondContact O-N 3.15Å; L310-F313 PolarHBondContact O-N 3.17Å; L310-L314 HydrophobicContact CB-CD1 4.47Å; L310-L314 VanDerWaalsContact O-CB 3.31Å; L310-L314 WeakPolarHBondContact O-CB 3.12Å; L310-L314 WeakPolarHBondContact O-CD1 3.15Å; L310-L314 WeakPolarHBondContact O-CG 3.41Å; L310-L314 PolarHBondContact O-N 3.38Å; L310-I328 HydrophobicContact CD2-CG2 4.27Å; L310-V332 HydrophobicContact CB-CG2 4.32Å; L310-V332 HydrophobicContact CD1-CG2 4.31Å
311L94Very high89.5Confident1 Ų150.5 Ų50.51%0.00528%0.279CS..Hα-helixtrans-58.3-50.6177.7-72.5173.1000111.6L307 W309 F313 L314 H315 V332 V346 Y349 F350 M373L307-L311 HydrophobicContact CD2-CD1 3.49Å; L307-L311 VanDerWaalsContact CD2-CD1 3.49Å; L307-L311 HydrophobicContact CD2-CG 4.03Å; L307-L311 WeakPolarHBondContact O-CG 3.45Å; L307-L311 PolarHBondContact O-N 2.68Å; W309-L311 PolarHBondContact O-N 2.81Å; L311-F313 PolarHBondContact O-N 3.04Å; L311-L314 PolarHBondContact O-N 3.26Å; L311-H315 WeakPolarHBondContact O-CB 3.34Å; L311-H315 PolarHBondContact O-N 3.47Å; L311-V332 HydrophobicContact CD2-CG1 3.95Å; L311-V332 HydrophobicContact CG-CG1 4.38Å; L311-V346 HydrophobicContact CD1-CG2 4.37Å; L311-Y349 HydrophobicContact CB-CD1 4.35Å; L311-Y349 HydrophobicContact CB-CD2 4.33Å; L311-Y349 HydrophobicContact CB-CE1 4.01Å; L311-Y349 HydrophobicContact CB-CE2 3.98Å; L311-Y349 HydrophobicContact CD1-CD1 3.99Å; L311-Y349 HydrophobicContact CD1-CD2 4.1Å; L311-Y349 HydrophobicContact CD1-CE1 4.48Å; L311-Y349 HydrophobicContact CD1-CG 3.79Å; L311-Y349 HydrophobicContact CD2-CD1 4.32Å; L311-Y349 HydrophobicContact CD2-CE1 4.37Å; L311-Y349 HydrophobicContact CG-CD1 4.48Å; L311-Y349 PolarHBondContact O-OH 2.78Å; L311-F350 HydrophobicContact CD2-CE2 4.47Å; L311-F350 HydrophobicContact CD2-CZ 3.85Å; L311-M373 HydrophobicContact CB-CE 3.99Å; L311-M373 HydrophobicContact CD2-CE 3.37Å; L311-M373 HydrophobicContact CG-CE 4.29Å; L311-M373 WeakPolarHBondContact O-CE 3.46Å
312N93.1Very high89.2Confident88 Ų8852.7 Ų52.747%0.47129%0.285SS..Hα-helixtrans-63.6-41.2179.7-73.1-38.9000112.7V308 W309 L310 H315 G316 Y349V308-N312 PolarHBondContact O-N 2.89Å; V308-N312 VanDerWaalsContact O-N 3.13Å; V308-N312 PolarHBondContact O-ND2 3.06Å; W309-N312 PolarHBondContact O-N 2.84Å; L310-N312 PolarHBondContact O-N 3.15Å; N312-H315 PolarHBondContact O-N 3.06Å; N312-G316 PolarHBondContact O-N 2.9Å; N312-Y349 WeakPolarHBondContact OD1-CE2 3.37Å; N312-Y349 PolarHBondContact OD1-OH 3.5Å
313F91.6Very high88.9Confident49 Ų4950.8 Ų50.822%0.21529%0.289CS..Hα-helixtrans-68.2-39.9-179.7178.1-104.2000112.3I260 W309 L310 L311 G316 C318 I320I260-F313 HydrophobicContact CB-CE1 4.18Å; I260-F313 HydrophobicContact CD1-CD1 3.97Å; I260-F313 HydrophobicContact CD1-CE1 3.98Å; I260-F313 HydrophobicContact CG1-CD1 4.18Å; I260-F313 HydrophobicContact CG1-CE1 3.83Å; I260-F313 WeakPolarHBondContact O-CZ 3.35Å; W309-F313 HydrophobicContact CD2-CB 4.23Å; W309-F313 HydrophobicContact CE3-CB 3.88Å; W309-F313 HydrophobicContact CE3-CG 4.31Å; W309-F313 HydrophobicContact CH2-CB 3.88Å; W309-F313 AromaticContact CH2-CD1 3.7Å; W309-F313 HydrophobicContact CH2-CD1 3.7Å; W309-F313 AromaticContact CH2-CD2 3.64Å; W309-F313 HydrophobicContact CH2-CD2 3.64Å; W309-F313 HydrophobicContact CH2-CE1 4.08Å; W309-F313 HydrophobicContact CH2-CE2 4.06Å; W309-F313 AromaticContact CH2-CG 3.45Å; W309-F313 HydrophobicContact CH2-CG 3.45Å; W309-F313 VanDerWaalsContact CH2-CG 3.45Å; W309-F313 HydrophobicContact CH2-CZ 4.26Å; W309-F313 HydrophobicContact CZ2-CB 4.22Å; W309-F313 AromaticContact CZ2-CD2 3.88Å; W309-F313 HydrophobicContact CZ2-CD2 3.88Å; W309-F313 HydrophobicContact CZ2-CE2 4.43Å; W309-F313 HydrophobicContact CZ2-CG 4Å; W309-F313 HydrophobicContact CZ3-CB 3.7Å; W309-F313 AromaticContact CZ3-CD1 3.67Å; W309-F313 HydrophobicContact CZ3-CD1 3.67Å; W309-F313 HydrophobicContact CZ3-CD2 4.29Å; W309-F313 HydrophobicContact CZ3-CE1 4.34Å; W309-F313 AromaticContact CZ3-CG 3.62Å; W309-F313 HydrophobicContact CZ3-CG 3.62Å; W309-F313 WeakPolarHBondContact O-CB 3.46Å; W309-F313 PolarHBondContact O-N 3.07Å; L310-F313 PolarHBondContact O-N 3.17Å; L311-F313 PolarHBondContact O-N 3.04Å; F313-G316 PolarHBondContact O-N 3.34Å; F313-C318 HydrophobicContact CD1-CB 4.43Å; F313-C318 HydrophobicContact CE1-CB 3.98Å; F313-C318 HydrophobicContact CZ-CB 4.05Å; F313-I320 HydrophobicContact CE1-CD1 3.57Å; F313-I320 HydrophobicContact CZ-CD1 4.23Å
314L90.8Very high88.6Confident0 Ų050.9 Ų50.90%029%0.289CS..Hα-helixtrans-76.6-23.9178.9-63.3165.6000112.8L310 L311 K325 I328 L329L310-L314 HydrophobicContact CB-CD1 4.47Å; L310-L314 VanDerWaalsContact O-CB 3.31Å; L310-L314 WeakPolarHBondContact O-CB 3.12Å; L310-L314 WeakPolarHBondContact O-CD1 3.15Å; L310-L314 WeakPolarHBondContact O-CG 3.41Å; L310-L314 PolarHBondContact O-N 3.38Å; L311-L314 PolarHBondContact O-N 3.26Å; L314-K325 HydrophobicContact CD2-CG 4.13Å; L314-K325 WeakPolarHBondContact O-CE 3.31Å; L314-K325 PolarHBondContact O-NZ 2.84Å; L314-I328 HydrophobicContact CD1-CB 4.22Å; L314-I328 HydrophobicContact CD1-CG2 3.58Å; L314-I328 HydrophobicContact CD2-CD1 4.31Å; L314-I328 HydrophobicContact CD2-CG2 4.44Å; L314-L329 HydrophobicContact CB-CD2 4.28Å; L314-L329 HydrophobicContact CD1-CD2 3.64Å; L314-L329 HydrophobicContact CD1-CG 4.09Å
315H89.1Confident88.4Confident69 Ų6953.2 Ų53.232%0.31930%0.299SS..Hα-helixtrans-70.1-36.8171.8-174.8-164.5000111.5L311 N312 E370 M373L311-H315 WeakPolarHBondContact O-CB 3.34Å; L311-H315 PolarHBondContact O-N 3.47Å; N312-H315 PolarHBondContact O-N 3.06Å; H315-E370 IonicContact CE1-OE1 3.45Å; H315-E370 WeakPolarHBondContact NE2-CG 3.19Å; H315-E370 IonicContact NE2-OE1 3.85Å; H315-E370 PolarHBondContact NE2-OE1 3.19Å; H315-M373 HydrophobicContact CB-CE 4.47Å; H315-M373 HydrophobicContact CB-SD 4.12Å
316G85.1Confident88.3Confident36 Ų3652.7 Ų52.737%0.37129%0.291SS..SBendtrans-71.7176.8174.400000114.2N312 F313 C318N312-G316 PolarHBondContact O-N 2.9Å; F313-G316 PolarHBondContact O-N 3.34Å; G316-C318 PolarHBondContact O-N 3.41Å
317D78.5Confident88.3Confident175 Ų17555.5 Ų55.594%0.93630%0.304SS*.  trans-69.277.2172.8-77.2-29000111.1
318C77.7Confident88.3Confident19 Ų1955.6 Ų55.613%0.12830%0.304CS..  trans-83.4121.517351.90000109.4F313 G316 I320F313-C318 HydrophobicContact CD1-CB 4.43Å; F313-C318 HydrophobicContact CE1-CB 3.98Å; F313-C318 HydrophobicContact CZ-CB 4.05Å; G316-C318 PolarHBondContact O-N 3.41Å; C318-I320 HydrophobicContact CB-CD1 4.22Å; C318-I320 HydrophobicContact CB-CG1 4.26Å; C318-I320 PolarHBondContact O-N 2.93Å
319N79Confident88.4Confident146 Ų14653.3 Ų53.378%0.78129%0.29SS*.  trans-7450.6175.9-168.723.9000112.1R265R265-N319 VanDerWaalsContact NH1-C 3.28Å; R265-N319 PolarHBondContact NH1-O 3.12Å
320I83Confident88.5Confident17 Ų1752.9 Ų52.99%0.08729%0.289CS..  trans-110.6138-176.4-64.2178.6000108.7I260 F313 C318 I322 C324 K325I260-I320 HydrophobicContact CB-CD1 3.83Å; I260-I320 HydrophobicContact CG2-CD1 4.33Å; F313-I320 HydrophobicContact CE1-CD1 3.57Å; F313-I320 HydrophobicContact CZ-CD1 4.23Å; C318-I320 HydrophobicContact CB-CD1 4.22Å; C318-I320 HydrophobicContact CB-CG1 4.26Å; C318-I320 PolarHBondContact O-N 2.93Å; I320-I322 PolarHBondContact O-N 3.42Å; I320-C324 HydrophobicContact CG2-CB 3.94Å; I320-K325 HydrophobicContact CG2-CB 4.42Å
321P84.6Confident88.5Confident63 Ų6353.1 Ų53.141%0.40929%0.29SS..  trans-53.2137.9174.2-26.835.9000112A269 G323 C324 K325A269-P321 HydrophobicContact CB-CG 4.42Å; P321-G323 VanDerWaalsContact C-N 3.31Å; P321-G323 PolarHBondContact O-N 3.18Å; P321-C324 HydrophobicContact CB-CB 4.47Å; P321-C324 PolarHBondContact O-N 3.38Å; P321-C324 VanDerWaalsContact O-N 3.08Å; P321-K325 PolarHBondContact O-N 2.89Å
322I83.7Confident88.6Confident132 Ų13253.1 Ų53.168%0.67729%0.29SS*.Hα-helixtrans-54.7-45.1-173.2-62170000111.6I320 C324 K325 E326I320-I322 PolarHBondContact O-N 3.42Å; I322-C324 PolarHBondContact O-N 2.92Å; I322-K325 WeakPolarHBondContact O-CB 3.29Å; I322-K325 PolarHBondContact O-N 3.15Å; I322-E326 PolarHBondContact O-N 2.67Å
323G84.6Confident88.7Confident47 Ų4749 Ų4949%0.48527%0.268SS..Hα-helixtrans-60.5-42.8178.800000113.4P321 E326 E327P321-G323 VanDerWaalsContact C-N 3.31Å; P321-G323 PolarHBondContact O-N 3.18Å; G323-E326 PolarHBondContact O-N 3.35Å; G323-E327 PolarHBondContact O-N 3.25Å; G323-E327 VanDerWaalsContact O-N 3.1Å
324C87.3Confident88.8Confident1 Ų147.2 Ų47.21%0.00726%0.261CS..Hα-helixtrans-66.6-39.6175.7-178.80000111.4I320 P321 I322 E326 E327 I328I320-C324 HydrophobicContact CG2-CB 3.94Å; P321-C324 HydrophobicContact CB-CB 4.47Å; P321-C324 PolarHBondContact O-N 3.38Å; P321-C324 VanDerWaalsContact O-N 3.08Å; I322-C324 PolarHBondContact O-N 2.92Å; C324-E326 VanDerWaalsContact C-N 3.33Å; C324-E326 PolarHBondContact O-N 3.27Å; C324-E327 PolarHBondContact O-N 3.25Å; C324-I328 VanDerWaalsContact O-CG1 3.24Å; C324-I328 WeakPolarHBondContact O-CG1 3.25Å; C324-I328 PolarHBondContact O-N 2.79Å
325K89.8Confident89.1Confident53 Ų5347.2 Ų47.223%0.2326%0.261CS..Hα-helixtrans-57.5-46.7174.9176.7175-175168.60111.1L314 I320 P321 I322 E327 I328 L329L314-K325 HydrophobicContact CD2-CG 4.13Å; L314-K325 WeakPolarHBondContact O-CE 3.31Å; L314-K325 PolarHBondContact O-NZ 2.84Å; I320-K325 HydrophobicContact CG2-CB 4.42Å; P321-K325 PolarHBondContact O-N 2.89Å; I322-K325 WeakPolarHBondContact O-CB 3.29Å; I322-K325 PolarHBondContact O-N 3.15Å; K325-E327 PolarHBondContact O-N 3.23Å; K325-I328 PolarHBondContact O-N 2.82Å; K325-L329 HydrophobicContact CG-CD1 4.31Å; K325-L329 WeakPolarHBondContact O-CG 3.37Å; K325-L329 PolarHBondContact O-N 2.97Å
326E91.7Very high89.3Confident73 Ų7344 Ų4434%0.34125%0.246SC..Hα-helixtrans-62.4-41.8177.7-69.2-176-177.500112.4I322 G323 C324 I328 L329 R330 T376I322-E326 PolarHBondContact O-N 2.67Å; G323-E326 PolarHBondContact O-N 3.35Å; C324-E326 VanDerWaalsContact C-N 3.33Å; C324-E326 PolarHBondContact O-N 3.27Å; E326-I328 VanDerWaalsContact C-N 3.34Å; E326-I328 PolarHBondContact O-N 2.93Å; E326-L329 WeakPolarHBondContact O-CB 3.4Å; E326-L329 PolarHBondContact O-N 2.84Å; E326-R330 WeakPolarHBondContact O-CG 3.33Å; E326-R330 PolarHBondContact O-N 2.86Å; E326-R330 IonicContact OE2-CZ 2.66Å; E326-R330 IonicContact OE2-NH1 2.99Å; E326-R330 IonicContact OE2-NH2 3.77Å; E326-R330 PolarHBondContact OE2-NH2 2.87Å; E326-T376 HydrophobicContact CB-CG2 4.1Å; E326-T376 HydrophobicContact CG-CG2 4.41Å; E326-T376 WeakPolarHBondContact O-CG2 3.19Å
327E92.7Very high89.7Confident59 Ų5942.3 Ų42.328%0.27623%0.228SC..Hα-helixtrans-69.4-32.9-179.3-156.566.6-172.600112.5L276 G323 C324 K325 R330 T331L276-E327 HydrophobicContact CB-CG 4.44Å; L276-E327 HydrophobicContact CD1-CB 3.9Å; L276-E327 HydrophobicContact CD1-CG 4.02Å; G323-E327 PolarHBondContact O-N 3.25Å; G323-E327 VanDerWaalsContact O-N 3.1Å; C324-E327 PolarHBondContact O-N 3.25Å; K325-E327 PolarHBondContact O-N 3.23Å; E327-R330 PolarHBondContact O-N 3.36Å; E327-R330 IonicContact OE2-CZ 3.89Å; E327-R330 IonicContact OE2-NE 2.96Å; E327-R330 IonicContact OE2-NH1 2.63Å; E327-R330 PolarHBondContact OE2-NH1 3.19Å; E327-T331 WeakPolarHBondContact O-CB 3.47Å; E327-T331 PolarHBondContact O-N 3.29Å; E327-T331 PolarHBondContact O-OG1 3.48Å
328I94.7Very high90.1Very high1 Ų134.9 Ų34.91%0.00519%0.193CC..Hα-helixtrans-64.2-44.9169.8-61.2163000110.1L256 I260 L276 L310 L314 C324 K325 E326 R330 T331 V332L256-I328 HydrophobicContact CD2-CG2 4.45Å; I260-I328 HydrophobicContact CD1-CD1 4.11Å; I260-I328 HydrophobicContact CG2-CD1 4.07Å; L276-I328 HydrophobicContact CD1-CG1 3.74Å; L276-I328 HydrophobicContact CD2-CB 4.42Å; L276-I328 HydrophobicContact CD2-CG1 3.99Å; L276-I328 HydrophobicContact CG-CG1 4.44Å; L310-I328 HydrophobicContact CD2-CG2 4.27Å; L314-I328 HydrophobicContact CD1-CB 4.22Å; L314-I328 HydrophobicContact CD1-CG2 3.58Å; L314-I328 HydrophobicContact CD2-CD1 4.31Å; L314-I328 HydrophobicContact CD2-CG2 4.44Å; C324-I328 VanDerWaalsContact O-CG1 3.24Å; C324-I328 WeakPolarHBondContact O-CG1 3.25Å; C324-I328 PolarHBondContact O-N 2.79Å; K325-I328 PolarHBondContact O-N 2.82Å; E326-I328 VanDerWaalsContact C-N 3.34Å; E326-I328 PolarHBondContact O-N 2.93Å; I328-R330 PolarHBondContact O-N 3.05Å; I328-T331 CarbonylContact O-C 3.57Å; I328-T331 WeakPolarHBondContact O-CA 3.43Å; I328-T331 WeakPolarHBondContact O-CB 3.32Å; I328-T331 PolarHBondContact O-N 3.11Å; I328-T331 VanDerWaalsContact O-N 3.11Å; I328-V332 WeakPolarHBondContact O-CG2 3.24Å; I328-V332 PolarHBondContact O-N 3.44Å
329L95.8Very high90.8Very high5 Ų534.5 Ų34.53%0.02619%0.19CC..Hα-helixtrans-63-40.9177.8-70.4172000112.1L314 K325 E326 T331 V332 G333 M373 T376 V377L314-L329 HydrophobicContact CB-CD2 4.28Å; L314-L329 HydrophobicContact CD1-CD2 3.64Å; L314-L329 HydrophobicContact CD1-CG 4.09Å; K325-L329 HydrophobicContact CG-CD1 4.31Å; K325-L329 WeakPolarHBondContact O-CG 3.37Å; K325-L329 PolarHBondContact O-N 2.97Å; E326-L329 WeakPolarHBondContact O-CB 3.4Å; E326-L329 PolarHBondContact O-N 2.84Å; L329-T331 VanDerWaalsContact C-N 3.28Å; L329-T331 PolarHBondContact O-N 2.97Å; L329-V332 WeakPolarHBondContact O-CB 3.32Å; L329-V332 PolarHBondContact O-N 3.3Å; L329-V332 VanDerWaalsContact O-N 3.13Å; L329-G333 PolarHBondContact O-N 2.72Å; L329-G333 VanDerWaalsContact O-N 3.13Å; L329-M373 HydrophobicContact CD1-CB 4.35Å; L329-M373 HydrophobicContact CD1-CG 4.03Å; L329-M373 HydrophobicContact CD2-CE 4.29Å; L329-M373 HydrophobicContact CD2-CG 3.63Å; L329-M373 HydrophobicContact CD2-SD 4.45Å; L329-M373 HydrophobicContact CG-CG 4.5Å; L329-T376 HydrophobicContact CB-CG2 3.72Å; L329-T376 HydrophobicContact CD1-CG2 4.28Å; L329-V377 HydrophobicContact CB-CG2 4.06Å; L329-V377 HydrophobicContact CD2-CG2 3.89Å; L329-V377 WeakPolarHBondContact O-CA 3.26Å; L329-V377 WeakPolarHBondContact O-CG2 3.29Å
330R96.1Very high91.3Very high76 Ų7632.3 Ų32.329%0.28718%0.175SC..Hα-helixtrans-60.3-41171.8-68.9179.6-166.9104.110.5111.2E326 E327 I328 V332 G333 L334 T376 G380E326-R330 WeakPolarHBondContact O-CG 3.33Å; E326-R330 PolarHBondContact O-N 2.86Å; E326-R330 IonicContact OE2-CZ 2.66Å; E326-R330 IonicContact OE2-NH1 2.99Å; E326-R330 IonicContact OE2-NH2 3.77Å; E326-R330 PolarHBondContact OE2-NH2 2.87Å; E327-R330 PolarHBondContact O-N 3.36Å; E327-R330 IonicContact OE2-CZ 3.89Å; E327-R330 IonicContact OE2-NE 2.96Å; E327-R330 IonicContact OE2-NH1 2.63Å; E327-R330 PolarHBondContact OE2-NH1 3.19Å; I328-R330 PolarHBondContact O-N 3.05Å; R330-V332 VanDerWaalsContact C-N 3.32Å; R330-V332 PolarHBondContact O-N 3.05Å; R330-G333 WeakPolarHBondContact O-CA 3.25Å; R330-G333 PolarHBondContact O-N 3.16Å; R330-G333 VanDerWaalsContact O-N 3.11Å; R330-L334 PolarHBondContact O-N 2.68Å; R330-T376 HydrophobicContact CG-CG2 4.01Å; R330-G380 VanDerWaalsContact O-CA 3.27Å; R330-G380 WeakPolarHBondContact O-CA 3.49Å
331T95.9Very high91.8Very high6 Ų636.2 Ų36.24%0.03719%0.193CC..Hα-helixtrans-65.4-34.4175.4-58.30000111.9L276 V279 E327 I328 L329 G333 L334 L335L276-T331 HydrophobicContact CD2-CG2 3.98Å; L276-T331 VanDerWaalsContact CD2-OG1 3.28Å; L276-T331 WeakPolarHBondContact CD2-OG1 3.36Å; V279-T331 HydrophobicContact CB-CG2 4.47Å; V279-T331 HydrophobicContact CG1-CG2 3.9Å; E327-T331 WeakPolarHBondContact O-CB 3.47Å; E327-T331 PolarHBondContact O-N 3.29Å; E327-T331 PolarHBondContact O-OG1 3.48Å; I328-T331 CarbonylContact O-C 3.57Å; I328-T331 WeakPolarHBondContact O-CA 3.43Å; I328-T331 WeakPolarHBondContact O-CB 3.32Å; I328-T331 PolarHBondContact O-N 3.11Å; I328-T331 VanDerWaalsContact O-N 3.11Å; L329-T331 VanDerWaalsContact C-N 3.28Å; L329-T331 PolarHBondContact O-N 2.97Å; T331-G333 VanDerWaalsContact C-N 3.29Å; T331-G333 PolarHBondContact O-N 3.42Å; T331-L334 WeakPolarHBondContact O-CB 3.47Å; T331-L334 PolarHBondContact O-N 2.86Å; T331-L335 HydrophobicContact CG2-CD1 4.34Å; T331-L335 HydrophobicContact CG2-CG 4.32Å; T331-L335 WeakPolarHBondContact O-CB 3.24Å; T331-L335 VanDerWaalsContact O-CG 3.22Å; T331-L335 WeakPolarHBondContact O-CG 3.35Å; T331-L335 PolarHBondContact O-N 2.93Å
332V96.1Very high92.3Very high1 Ų133.2 Ų33.21%0.00617%0.174CC..Hα-helixtrans-59.4-41.6171170.90000111.1L307 L310 L311 I328 L329 R330 L335 T336 V377L307-V332 HydrophobicContact CD1-CG1 4.28Å; L307-V332 HydrophobicContact CD2-CG1 4.15Å; L307-V332 HydrophobicContact CG-CG1 4.02Å; L310-V332 HydrophobicContact CB-CG2 4.32Å; L310-V332 HydrophobicContact CD1-CG2 4.31Å; L311-V332 HydrophobicContact CD2-CG1 3.95Å; L311-V332 HydrophobicContact CG-CG1 4.38Å; I328-V332 WeakPolarHBondContact O-CG2 3.24Å; I328-V332 PolarHBondContact O-N 3.44Å; L329-V332 WeakPolarHBondContact O-CB 3.32Å; L329-V332 PolarHBondContact O-N 3.3Å; L329-V332 VanDerWaalsContact O-N 3.13Å; R330-V332 VanDerWaalsContact C-N 3.32Å; R330-V332 PolarHBondContact O-N 3.05Å; V332-L335 PolarHBondContact O-N 3.49Å; V332-T336 PolarHBondContact O-N 2.89Å; V332-V377 HydrophobicContact CB-CG2 4.29Å; V332-V377 HydrophobicContact CG1-CG1 4.13Å; V332-V377 HydrophobicContact CG1-CG2 4.2Å
333G94.6Very high92.9Very high0 Ų027.2 Ų27.20%014%0.143CC..Hα-helixtrans-59.1-46.6173.200000112.2L329 R330 T331 L335 T336 V377L329-G333 PolarHBondContact O-N 2.72Å; L329-G333 VanDerWaalsContact O-N 3.13Å; R330-G333 WeakPolarHBondContact O-CA 3.25Å; R330-G333 PolarHBondContact O-N 3.16Å; R330-G333 VanDerWaalsContact O-N 3.11Å; T331-G333 VanDerWaalsContact C-N 3.29Å; T331-G333 PolarHBondContact O-N 3.42Å; G333-L335 VanDerWaalsContact C-N 3.3Å; G333-L335 PolarHBondContact O-N 3.41Å; G333-T336 WeakPolarHBondContact O-CB 3.49Å; G333-T336 PolarHBondContact O-N 2.94Å; G333-T336 VanDerWaalsContact O-N 3.08Å; G333-T336 PolarHBondContact O-OG1 3.17Å; G333-V377 VanDerWaalsContact CA-O 3.31Å; G333-V377 WeakPolarHBondContact CA-O 3Å
334L94.9Very high93.4Very high13 Ų1330.1 Ų30.17%0.06814%0.144CC..Hα-helixtrans-59.9-39.4176-169.871000112.5V279 K280 Y283 R330 T331 T336 L337 G380 T382V279-L334 HydrophobicContact CG1-CD2 4.38Å; K280-L334 HydrophobicContact CB-CD2 4.47Å; Y283-L334 HydrophobicContact CD1-CD1 4.05Å; Y283-L334 HydrophobicContact CD1-CG 3.9Å; Y283-L334 HydrophobicContact CD2-CD2 3.6Å; Y283-L334 HydrophobicContact CD2-CG 3.72Å; Y283-L334 HydrophobicContact CE1-CG 4.36Å; Y283-L334 WeakPolarHBondContact CE1-O 3.22Å; Y283-L334 HydrophobicContact CE2-CD2 4.34Å; Y283-L334 HydrophobicContact CE2-CG 4.19Å; Y283-L334 HydrophobicContact CG-CD1 3.89Å; Y283-L334 HydrophobicContact CG-CD2 3.72Å; Y283-L334 HydrophobicContact CG-CG 3.56Å; R330-L334 PolarHBondContact O-N 2.68Å; T331-L334 WeakPolarHBondContact O-CB 3.47Å; T331-L334 PolarHBondContact O-N 2.86Å; L334-T336 PolarHBondContact O-N 2.91Å; L334-T336 VanDerWaalsContact O-N 3.17Å; L334-L337 HydrophobicContact CD1-CD1 3.72Å; L334-L337 WeakPolarHBondContact O-CB 3.48Å; L334-L337 VanDerWaalsContact O-CG 3.26Å; L334-L337 WeakPolarHBondContact O-CG 3.5Å; L334-L337 PolarHBondContact O-N 2.65Å; L334-L337 VanDerWaalsContact O-N 3.16Å; L334-G380 PolarHBondContact N-O 3.36Å; L334-T382 HydrophobicContact CD1-CG2 3.62Å
335L95.5Very high93.8Very high0 Ų032.7 Ų32.70%016%0.157CC..THydrogen-bonded Turntrans-68.7-6.2176.8-68.5172.2000113.7L249 I253 V279 Y283 V303 L307 T331 V332 G333 R342L249-L335 HydrophobicContact CD1-CD2 3.82Å; I253-L335 HydrophobicContact CD1-CD1 3.81Å; I253-L335 HydrophobicContact CD1-CD2 3.99Å; I253-L335 HydrophobicContact CD1-CG 4.43Å; I253-L335 HydrophobicContact CG1-CD1 4.15Å; I253-L335 HydrophobicContact CG1-CD2 3.98Å; I253-L335 HydrophobicContact CG2-CD1 4.48Å; V279-L335 HydrophobicContact CG1-CD2 4.49Å; Y283-L335 HydrophobicContact CE2-CD2 3.94Å; V303-L335 HydrophobicContact CG1-CD1 4.49Å; V303-L335 HydrophobicContact CG1-CD2 4.03Å; L307-L335 HydrophobicContact CD1-CB 4.09Å; T331-L335 HydrophobicContact CG2-CD1 4.34Å; T331-L335 HydrophobicContact CG2-CG 4.32Å; T331-L335 WeakPolarHBondContact O-CB 3.24Å; T331-L335 VanDerWaalsContact O-CG 3.22Å; T331-L335 WeakPolarHBondContact O-CG 3.35Å; T331-L335 PolarHBondContact O-N 2.93Å; V332-L335 PolarHBondContact O-N 3.49Å; G333-L335 VanDerWaalsContact C-N 3.3Å; G333-L335 PolarHBondContact O-N 3.41Å; L335-R342 VanDerWaalsContact O-CD 3.29Å; L335-R342 WeakPolarHBondContact O-CD 3.21Å; L335-R342 PolarHBondContact O-NE 3.2Å; L335-R342 PolarHBondContact O-NH1 2.98Å
336T94.2Very high94.1Very high2 Ų230.2 Ų30.21%0.01215%0.147CC..THydrogen-bonded Turntrans-82.5-17.7171.865.60000112.9V332 G333 L334 G338 S339 I343 V346 V390V332-T336 PolarHBondContact O-N 2.89Å; G333-T336 WeakPolarHBondContact O-CB 3.49Å; G333-T336 PolarHBondContact O-N 2.94Å; G333-T336 VanDerWaalsContact O-N 3.08Å; G333-T336 PolarHBondContact O-OG1 3.17Å; L334-T336 PolarHBondContact O-N 2.91Å; L334-T336 VanDerWaalsContact O-N 3.17Å; T336-G338 PolarHBondContact O-N 2.81Å; T336-S339 PolarHBondContact O-N 2.92Å; T336-I343 VanDerWaalsContact O-CG1 3.31Å; T336-I343 WeakPolarHBondContact O-CG1 3.5Å; T336-V346 HydrophobicContact CG2-CB 4.16Å; T336-V346 HydrophobicContact CG2-CG1 4.47Å; T336-V346 HydrophobicContact CG2-CG2 3.64Å; T336-V390 WeakPolarHBondContact OG1-CG2 3.43Å
337L92.8Very high94.3Very high0 Ų027.6 Ų27.60%014%0.136CC..THydrogen-bonded Turntrans-64.6129.8-175.5-58.6175.2000111.2Y283 F294 L334 S339 V381 T382 F386 G387 V390Y283-L337 HydrophobicContact CD1-CD1 4.16Å; Y283-L337 HydrophobicContact CE1-CB 4.08Å; Y283-L337 HydrophobicContact CE1-CD1 4.42Å; F294-L337 HydrophobicContact CE1-CB 4.2Å; F294-L337 HydrophobicContact CZ-CB 3.88Å; L334-L337 HydrophobicContact CD1-CD1 3.72Å; L334-L337 WeakPolarHBondContact O-CB 3.48Å; L334-L337 VanDerWaalsContact O-CG 3.26Å; L334-L337 WeakPolarHBondContact O-CG 3.5Å; L334-L337 PolarHBondContact O-N 2.65Å; L334-L337 VanDerWaalsContact O-N 3.16Å; L337-S339 VanDerWaalsContact C-N 3.34Å; L337-S339 PolarHBondContact O-N 2.82Å; L337-V381 HydrophobicContact CD2-CG1 4.34Å; L337-T382 HydrophobicContact CD1-CG2 4.36Å; L337-T382 WeakPolarHBondContact CD1-OG1 3.38Å; L337-F386 HydrophobicContact CB-CB 4.13Å; L337-F386 HydrophobicContact CD2-CB 3.96Å; L337-G387 VanDerWaalsContact CD2-CA 3.49Å; L337-V390 HydrophobicContact CD2-CG2 3.98Å
338G87.6Confident94.4Very high19 Ų1933.1 Ų33.120%0.19616%0.159CC..THydrogen-bonded Turntrans80.4-3174.500000116.5T336T336-G338 PolarHBondContact O-N 2.81Å
339S91.8Very high94.5Very high10 Ų1035.4 Ų35.47%0.0717%0.168CC..  trans-126113.3-179170.70000112.4T336 L337 E341 R342 I343T336-S339 PolarHBondContact O-N 2.92Å; L337-S339 VanDerWaalsContact C-N 3.34Å; L337-S339 PolarHBondContact O-N 2.82Å; S339-E341 VanDerWaalsContact C-N 3.34Å; S339-E341 PolarHBondContact O-N 3.06Å; S339-R342 VanDerWaalsContact CB-CZ 3.48Å; S339-R342 PolarHBondContact O-N 2.89Å; S339-R342 PolarHBondContact OG-N 3.47Å; S339-R342 PolarHBondContact OG-NE 3.14Å; S339-I343 VanDerWaalsContact O-CG1 3.25Å; S339-I343 WeakPolarHBondContact O-CG1 3.15Å; S339-I343 PolarHBondContact O-N 3.42Å; S339-I343 VanDerWaalsContact O-N 3.08Å
340H91Very high94.4Very high100 Ų10035.1 Ų35.146%0.46317%0.166SC..Hα-helixtrans-60.8-42.5178.9-165.3-89.7000112.4R342 I343 E344H340-R342 PolarHBondContact O-N 2.85Å; H340-I343 PolarHBondContact O-N 3.25Å; H340-E344 IonicContact CE1-OE1 2.98Å; H340-E344 PolarHBondContact CE1-OE1 3.37Å; H340-E344 VanDerWaalsContact ND1-CD 3.33Å; H340-E344 IonicContact ND1-OE1 3.37Å; H340-E344 PolarHBondContact ND1-OE1 3.46Å; H340-E344 IonicContact ND1-OE2 3.62Å; H340-E344 WeakPolarHBondContact O-CG 3.43Å; H340-E344 PolarHBondContact O-N 2.94Å
341E93.4Very high94.3Very high99 Ų9935.4 Ų35.446%0.46317%0.173SC..Hα-helixtrans-57.4-47.7177.4-178.1-175.2-169.600111.4S339 I343 E344 L345S339-E341 VanDerWaalsContact C-N 3.34Å; S339-E341 PolarHBondContact O-N 3.06Å; E341-I343 VanDerWaalsContact C-N 3.34Å; E341-I343 PolarHBondContact O-N 2.89Å; E341-E344 PolarHBondContact O-N 2.93Å; E341-L345 HydrophobicContact CG-CD1 4.22Å; E341-L345 VanDerWaalsContact O-CG 3.28Å; E341-L345 WeakPolarHBondContact O-CG 3.23Å; E341-L345 PolarHBondContact O-N 3.48Å
342R95Very high94Very high1 Ų137 Ų370%0.00419%0.192CC..Hα-helixtrans-66.2-36.6179.4-72.2-178-74.9160.40.1112.2Y283 V298 A304 L307 L335 S339 H340 L345 V346Y283-R342 PolarHBondContact OH-NH1 3.27Å; V298-R342 VanDerWaalsContact CB-NH2 3.32Å; V298-R342 PolarHBondContact O-NH2 3.35Å; A304-R342 HydrophobicContact CB-CG 3.97Å; L307-R342 HydrophobicContact CD1-CB 4.3Å; L307-R342 HydrophobicContact CD1-CG 4.32Å; L335-R342 VanDerWaalsContact O-CD 3.29Å; L335-R342 WeakPolarHBondContact O-CD 3.21Å; L335-R342 PolarHBondContact O-NE 3.2Å; L335-R342 PolarHBondContact O-NH1 2.98Å; S339-R342 VanDerWaalsContact CB-CZ 3.48Å; S339-R342 PolarHBondContact O-N 2.89Å; S339-R342 PolarHBondContact OG-N 3.47Å; S339-R342 PolarHBondContact OG-NE 3.14Å; H340-R342 PolarHBondContact O-N 2.85Å; R342-L345 PolarHBondContact O-N 2.87Å; R342-V346 WeakPolarHBondContact O-CG2 3.22Å; R342-V346 PolarHBondContact O-N 2.82Å; R342-V346 VanDerWaalsContact O-N 3.1Å
343I94.9Very high93.8Very high5 Ų537.8 Ų37.83%0.02620%0.195CC..Hα-helixtrans-63.1-49.1174.5-63164.2000110.4T336 S339 H340 E341 L345 V346 V347 V390 Q393T336-I343 VanDerWaalsContact O-CG1 3.31Å; T336-I343 WeakPolarHBondContact O-CG1 3.5Å; S339-I343 VanDerWaalsContact O-CG1 3.25Å; S339-I343 WeakPolarHBondContact O-CG1 3.15Å; S339-I343 PolarHBondContact O-N 3.42Å; S339-I343 VanDerWaalsContact O-N 3.08Å; H340-I343 PolarHBondContact O-N 3.25Å; E341-I343 VanDerWaalsContact C-N 3.34Å; E341-I343 PolarHBondContact O-N 2.89Å; I343-L345 VanDerWaalsContact C-N 3.31Å; I343-L345 PolarHBondContact O-N 2.83Å; I343-V346 PolarHBondContact O-N 3.27Å; I343-V347 HydrophobicContact CG2-CG2 4.04Å; I343-V347 WeakPolarHBondContact O-CB 3.46Å; I343-V347 VanDerWaalsContact O-CG2 3.24Å; I343-V347 WeakPolarHBondContact O-CG2 3.27Å; I343-V347 PolarHBondContact O-N 3.33Å; I343-V390 HydrophobicContact CD1-CG2 3.86Å; I343-V390 HydrophobicContact CG1-CG1 4.5Å; I343-V390 HydrophobicContact CG1-CG2 3.95Å; I343-V390 HydrophobicContact CG2-CG1 4.48Å; I343-Q393 HydrophobicContact CG2-CB 3.55Å; I343-Q393 HydrophobicContact CG2-CG 3.68Å
344E95.4Very high93.7Very high108 Ų10837.8 Ų37.851%0.50520%0.195SC..Hα-helixtrans-60.2-40.8178.2-73.8-177.7149.500112.2H340 E341 V347 K348H340-E344 IonicContact CE1-OE1 2.98Å; H340-E344 PolarHBondContact CE1-OE1 3.37Å; H340-E344 VanDerWaalsContact ND1-CD 3.33Å; H340-E344 IonicContact ND1-OE1 3.37Å; H340-E344 PolarHBondContact ND1-OE1 3.46Å; H340-E344 IonicContact ND1-OE2 3.62Å; H340-E344 WeakPolarHBondContact O-CG 3.43Å; H340-E344 PolarHBondContact O-N 2.94Å; E341-E344 PolarHBondContact O-N 2.93Å; E344-V347 PolarHBondContact O-N 3.48Å; E344-K348 WeakPolarHBondContact O-CB 3.48Å; E344-K348 PolarHBondContact O-N 2.71Å
345L95.4Very high93.5Very high55 Ų5540.5 Ų40.529%0.28821%0.21SC..Hα-helixtrans-59-48.6175.9-74.8169.7000111.6A304 V308 E341 R342 I343 K348 Y349A304-L345 HydrophobicContact CB-CD1 3.78Å; V308-L345 HydrophobicContact CG2-CD1 4.16Å; V308-L345 HydrophobicContact CG2-CD2 4.11Å; E341-L345 HydrophobicContact CG-CD1 4.22Å; E341-L345 VanDerWaalsContact O-CG 3.28Å; E341-L345 WeakPolarHBondContact O-CG 3.23Å; E341-L345 PolarHBondContact O-N 3.48Å; R342-L345 PolarHBondContact O-N 2.87Å; I343-L345 VanDerWaalsContact C-N 3.31Å; I343-L345 PolarHBondContact O-N 2.83Å; L345-K348 PolarHBondContact O-N 2.99Å; L345-Y349 VanDerWaalsContact O-CB 3.3Å; L345-Y349 WeakPolarHBondContact O-CB 3.33Å; L345-Y349 PolarHBondContact O-N 2.81Å
346V96.1Very high93.4Very high1 Ų140.7 Ų40.71%0.00621%0.21CC..Hα-helixtrans-68.2-43.5-179.8174.90000111.5L307 L311 T336 R342 I343 K348 Y349 F350 V377 F394L307-V346 HydrophobicContact CD1-CG2 4.25Å; L307-V346 HydrophobicContact CD2-CG2 3.57Å; L311-V346 HydrophobicContact CD1-CG2 4.37Å; T336-V346 HydrophobicContact CG2-CB 4.16Å; T336-V346 HydrophobicContact CG2-CG1 4.47Å; T336-V346 HydrophobicContact CG2-CG2 3.64Å; R342-V346 WeakPolarHBondContact O-CG2 3.22Å; R342-V346 PolarHBondContact O-N 2.82Å; R342-V346 VanDerWaalsContact O-N 3.1Å; I343-V346 PolarHBondContact O-N 3.27Å; V346-K348 VanDerWaalsContact C-N 3.29Å; V346-K348 PolarHBondContact O-N 2.9Å; V346-Y349 PolarHBondContact O-N 2.88Å; V346-F350 HydrophobicContact CG1-CD2 3.6Å; V346-F350 HydrophobicContact CG1-CE2 3.57Å; V346-F350 WeakPolarHBondContact O-CD2 3.49Å; V346-F350 PolarHBondContact O-N 3.14Å; V346-F350 VanDerWaalsContact O-N 3.08Å; V346-V377 HydrophobicContact CG1-CG1 4.24Å; V346-F394 HydrophobicContact CG1-CZ 3.97Å
347V96.2Very high93.2Very high19 Ų1943 Ų4312%0.11523%0.225CC..Hα-helixtrans-62.6-37.2177.3169.30000111.3I343 E344 Q393 F394 A397 Y399I343-V347 HydrophobicContact CG2-CG2 4.04Å; I343-V347 WeakPolarHBondContact O-CB 3.46Å; I343-V347 VanDerWaalsContact O-CG2 3.24Å; I343-V347 WeakPolarHBondContact O-CG2 3.27Å; I343-V347 PolarHBondContact O-N 3.33Å; E344-V347 PolarHBondContact O-N 3.48Å; V347-Q393 HydrophobicContact CG2-CB 4.32Å; V347-F394 HydrophobicContact CG2-CD1 4.43Å; V347-F394 HydrophobicContact CG2-CD2 3.76Å; V347-F394 HydrophobicContact CG2-CE1 4.35Å; V347-F394 HydrophobicContact CG2-CE2 3.67Å; V347-F394 HydrophobicContact CG2-CG 4.16Å; V347-F394 HydrophobicContact CG2-CZ 3.99Å; V347-A397 HydrophobicContact CG1-CB 3.47Å; V347-A397 VanDerWaalsContact CG1-CB 3.47Å; V347-Y399 HydrophobicContact CG1-CE2 4.05Å; V347-Y399 PolarHBondContact O-OH 3.16Å
348K95.7Very high93Very high174 Ų17446 Ų4676%0.75724%0.236SC*.Hα-helixtrans-72.8-38.6175.2-175.2177.6178-179.60111.9E344 L345 V346 D351E344-K348 WeakPolarHBondContact O-CB 3.48Å; E344-K348 PolarHBondContact O-N 2.71Å; L345-K348 PolarHBondContact O-N 2.99Å; V346-K348 VanDerWaalsContact C-N 3.29Å; V346-K348 PolarHBondContact O-N 2.9Å; K348-D351 PolarHBondContact O-N 3.5Å
349Y95.4Very high93.1Very high49 Ų4945.2 Ų45.219%0.19223%0.227CC..Hα-helixtrans-62.3-44.2-179.2-172.1-90.5000112.1L311 N312 L345 V346 D351 F353 M373L311-Y349 HydrophobicContact CB-CD1 4.35Å; L311-Y349 HydrophobicContact CB-CD2 4.33Å; L311-Y349 HydrophobicContact CB-CE1 4.01Å; L311-Y349 HydrophobicContact CB-CE2 3.98Å; L311-Y349 HydrophobicContact CD1-CD1 3.99Å; L311-Y349 HydrophobicContact CD1-CD2 4.1Å; L311-Y349 HydrophobicContact CD1-CE1 4.48Å; L311-Y349 HydrophobicContact CD1-CG 3.79Å; L311-Y349 HydrophobicContact CD2-CD1 4.32Å; L311-Y349 HydrophobicContact CD2-CE1 4.37Å; L311-Y349 HydrophobicContact CG-CD1 4.48Å; L311-Y349 PolarHBondContact O-OH 2.78Å; N312-Y349 WeakPolarHBondContact OD1-CE2 3.37Å; N312-Y349 PolarHBondContact OD1-OH 3.5Å; L345-Y349 VanDerWaalsContact O-CB 3.3Å; L345-Y349 WeakPolarHBondContact O-CB 3.33Å; L345-Y349 PolarHBondContact O-N 2.81Å; V346-Y349 PolarHBondContact O-N 2.88Å; Y349-D351 VanDerWaalsContact C-N 3.32Å; Y349-D351 PolarHBondContact O-N 3.05Å; Y349-F353 HydrophobicContact CD1-CZ 4.48Å; Y349-F353 HydrophobicContact CE1-CE1 4.28Å; Y349-F353 AromaticContact CE1-CZ 3.88Å; Y349-F353 HydrophobicContact CE1-CZ 3.88Å; Y349-M373 HydrophobicContact CD1-CE 4.4Å; Y349-M373 HydrophobicContact CE1-CE 3.56Å
350F95.5Very high92.9Very high0 Ų046.1 Ų46.10%023%0.231CC..THydrogen-bonded Turntrans-85.45.7-177.2-67.8-47.2000115.1L311 V346 G352 F353 S354 M373 M374 V377 Y399L311-F350 HydrophobicContact CD2-CE2 4.47Å; L311-F350 HydrophobicContact CD2-CZ 3.85Å; V346-F350 HydrophobicContact CG1-CD2 3.6Å; V346-F350 HydrophobicContact CG1-CE2 3.57Å; V346-F350 WeakPolarHBondContact O-CD2 3.49Å; V346-F350 PolarHBondContact O-N 3.14Å; V346-F350 VanDerWaalsContact O-N 3.08Å; F350-G352 VanDerWaalsContact C-N 3.34Å; F350-G352 PolarHBondContact O-N 3Å; F350-F353 HydrophobicContact CB-CB 4.35Å; F350-F353 HydrophobicContact CD1-CB 4.35Å; F350-F353 AromaticContact CD1-CD1 3.45Å; F350-F353 HydrophobicContact CD1-CD1 3.45Å; F350-F353 VanDerWaalsContact CD1-CD1 3.45Å; F350-F353 HydrophobicContact CD1-CD2 4.45Å; F350-F353 AromaticContact CD1-CE1 3.8Å; F350-F353 HydrophobicContact CD1-CE1 3.8Å; F350-F353 AromaticContact CD1-CG 3.87Å; F350-F353 HydrophobicContact CD1-CG 3.87Å; F350-F353 HydrophobicContact CD1-CZ 4.45Å; F350-F353 AromaticContact CE1-CD1 3.91Å; F350-F353 HydrophobicContact CE1-CD1 3.91Å; F350-F353 AromaticContact CE1-CE1 3.92Å; F350-F353 HydrophobicContact CE1-CE1 3.92Å; F350-F353 WeakPolarHBondContact O-CA 3.32Å; F350-F353 VanDerWaalsContact O-CB 3.28Å; F350-F353 WeakPolarHBondContact O-CB 3.28Å; F350-F353 PolarHBondContact O-N 3.33Å; F350-S354 PolarHBondContact O-N 3.48Å; F350-M373 HydrophobicContact CE1-CE 3.86Å; F350-M373 HydrophobicContact CE1-CG 4.01Å; F350-M373 HydrophobicContact CE1-SD 4.36Å; F350-M373 HydrophobicContact CZ-CE 4.08Å; F350-M373 HydrophobicContact CZ-CG 4.2Å; F350-M374 HydrophobicContact CB-CG 4.23Å; F350-M374 HydrophobicContact CB-SD 4.34Å; F350-M374 HydrophobicContact CD1-CB 4.04Å; F350-M374 HydrophobicContact CD1-CG 4.42Å; F350-M374 HydrophobicContact CD2-CG 4.34Å; F350-M374 HydrophobicContact CE1-CB 4.27Å; F350-M374 HydrophobicContact CG-CB 4.23Å; F350-M374 HydrophobicContact CG-CG 4.1Å; F350-V377 HydrophobicContact CE2-CB 3.87Å; F350-V377 HydrophobicContact CE2-CG1 3.9Å; F350-V377 HydrophobicContact CE2-CG2 3.98Å; F350-V377 HydrophobicContact CZ-CB 4.1Å; F350-V377 HydrophobicContact CZ-CG2 3.75Å; F350-Y399 WeakPolarHBondContact CA-OH 3.25Å; F350-Y399 HydrophobicContact CB-CE1 4.07Å; F350-Y399 WeakPolarHBondContact CB-OH 3.33Å; F350-Y399 PolarHBondContact O-OH 3.37Å
351D93.7Very high92.5Very high81 Ų8147.6 Ų47.643%0.43324%0.242SC..G310 helixtrans-59.8-45.9-170.6-176.651.1000111.8K348 Y349 F353 S354 Y399 R402K348-D351 PolarHBondContact O-N 3.5Å; Y349-D351 VanDerWaalsContact C-N 3.32Å; Y349-D351 PolarHBondContact O-N 3.05Å; D351-F353 PolarHBondContact O-N 2.74Å; D351-S354 PolarHBondContact O-N 3.32Å; D351-S354 PolarHBondContact O-OG 3.39Å; D351-Y399 WeakPolarHBondContact CA-OH 3.48Å; D351-Y399 PolarHBondContact N-OH 3.46Å; D351-R402 PolarHBondContact O-NH1 3.03Å; D351-R402 VanDerWaalsContact O-NH1 3.09Å; D351-R402 IonicContact OD1-CZ 2.72Å; D351-R402 IonicContact OD1-NH1 3.64Å; D351-R402 PolarHBondContact OD1-NH1 3.38Å; D351-R402 IonicContact OD1-NH2 2.66Å; D351-R402 PolarHBondContact OD1-NH2 3Å
352G89Confident91.5Very high41 Ų4145.8 Ų45.842%0.42324%0.236SC..G310 helixtrans-71-9.8175.300000115.2F350 R358F350-G352 VanDerWaalsContact C-N 3.34Å; F350-G352 PolarHBondContact O-N 3Å; G352-R358 PolarHBondContact O-NH1 3.49Å
353F92.5Very high90.4Very high16 Ų1651.5 Ų51.57%0.0727%0.271CS..G310 helixtrans-90.2-20.9-178.3-63-144.4000109.9Y349 F350 D351 D355 Y359 E370 M373 M374Y349-F353 HydrophobicContact CD1-CZ 4.48Å; Y349-F353 HydrophobicContact CE1-CE1 4.28Å; Y349-F353 AromaticContact CE1-CZ 3.88Å; Y349-F353 HydrophobicContact CE1-CZ 3.88Å; F350-F353 HydrophobicContact CB-CB 4.35Å; F350-F353 HydrophobicContact CD1-CB 4.35Å; F350-F353 AromaticContact CD1-CD1 3.45Å; F350-F353 HydrophobicContact CD1-CD1 3.45Å; F350-F353 VanDerWaalsContact CD1-CD1 3.45Å; F350-F353 HydrophobicContact CD1-CD2 4.45Å; F350-F353 AromaticContact CD1-CE1 3.8Å; F350-F353 HydrophobicContact CD1-CE1 3.8Å; F350-F353 AromaticContact CD1-CG 3.87Å; F350-F353 HydrophobicContact CD1-CG 3.87Å; F350-F353 HydrophobicContact CD1-CZ 4.45Å; F350-F353 AromaticContact CE1-CD1 3.91Å; F350-F353 HydrophobicContact CE1-CD1 3.91Å; F350-F353 AromaticContact CE1-CE1 3.92Å; F350-F353 HydrophobicContact CE1-CE1 3.92Å; F350-F353 WeakPolarHBondContact O-CA 3.32Å; F350-F353 VanDerWaalsContact O-CB 3.28Å; F350-F353 WeakPolarHBondContact O-CB 3.28Å; F350-F353 PolarHBondContact O-N 3.33Å; D351-F353 PolarHBondContact O-N 2.74Å; F353-D355 VanDerWaalsContact C-N 3.29Å; F353-D355 PolarHBondContact O-N 2.84Å; F353-Y359 WeakPolarHBondContact O-CE2 3.45Å; F353-Y359 PolarHBondContact O-OH 3.16Å; F353-E370 HydrophobicContact CD1-CB 3.38Å; F353-E370 HydrophobicContact CD1-CG 4.01Å; F353-E370 VanDerWaalsContact CD1-O 3.28Å; F353-E370 WeakPolarHBondContact CD1-O 3.3Å; F353-E370 HydrophobicContact CE1-CB 3.36Å; F353-E370 HydrophobicContact CE1-CG 3.5Å; F353-E370 VanDerWaalsContact CE1-CG 3.5Å; F353-E370 HydrophobicContact CE2-CG 4.31Å; F353-E370 HydrophobicContact CG-CB 4.03Å; F353-E370 HydrophobicContact CZ-CB 4.01Å; F353-E370 HydrophobicContact CZ-CG 3.65Å; F353-M373 HydrophobicContact CE1-SD 4.42Å; F353-M374 HydrophobicContact CB-CB 4.44Å; F353-M374 HydrophobicContact CB-SD 4.1Å
354S91.1Very high89.8Confident0 Ų053.5 Ų53.50%029%0.285CS..  trans-85.52.6179.464.10000114.6F350 D351 F356 Y399 R402F350-S354 PolarHBondContact O-N 3.48Å; D351-S354 PolarHBondContact O-N 3.32Å; D351-S354 PolarHBondContact O-OG 3.39Å; S354-F356 WeakPolarHBondContact O-CD2 3.46Å; S354-F356 VanDerWaalsContact O-CE2 3.26Å; S354-F356 WeakPolarHBondContact O-CE2 3.15Å; S354-F356 PolarHBondContact O-N 2.77Å; S354-F356 VanDerWaalsContact O-N 3.15Å; S354-Y399 VanDerWaalsContact CB-CE1 3.43Å; S354-R402 PolarHBondContact OG-NE 2.97Å; S354-R402 VanDerWaalsContact OG-NE 3.17Å; S354-R402 PolarHBondContact OG-NH1 3.42Å; S354-R402 PolarHBondContact OG-NH2 3.42Å
355D91.7Very high89.2Confident71 Ų7152.1 Ų52.138%0.3829%0.292SS..  trans-78.590.4166179.66.8000109.8F353 T357 R358F353-D355 VanDerWaalsContact C-N 3.29Å; F353-D355 PolarHBondContact O-N 2.84Å; D355-T357 PolarHBondContact O-N 2.93Å; D355-T357 WeakPolarHBondContact OD1-CB 3.43Å; D355-T357 PolarHBondContact OD1-N 3.41Å; D355-T357 VanDerWaalsContact OD1-N 3.1Å; D355-T357 PolarHBondContact OD1-OG1 3.04Å; D355-R358 HydrophobicContact CB-CB 4.21Å; D355-R358 WeakPolarHBondContact O-CB 3.37Å; D355-R358 PolarHBondContact O-N 2.6Å; D355-R358 PolarHBondContact OD1-N 3.14Å
356F92.2Very high88.7Confident3 Ų356.2 Ų56.21%0.01331%0.31CS..THydrogen-bonded Turntrans-65.4-22.3-177.3-60-76.8000113.6S354 R358 Y359 M374 R402 A403 Y406 G434 F437 F441S354-F356 WeakPolarHBondContact O-CD2 3.46Å; S354-F356 VanDerWaalsContact O-CE2 3.26Å; S354-F356 WeakPolarHBondContact O-CE2 3.15Å; S354-F356 PolarHBondContact O-N 2.77Å; S354-F356 VanDerWaalsContact O-N 3.15Å; F356-R358 VanDerWaalsContact C-N 3.25Å; F356-R358 PolarHBondContact O-N 2.85Å; F356-Y359 HydrophobicContact CB-CD2 4.44Å; F356-Y359 HydrophobicContact CD1-CD2 4.24Å; F356-Y359 HydrophobicContact CD1-CE2 4.05Å; F356-Y359 PolarHBondContact O-N 2.8Å; F356-M374 HydrophobicContact CE1-CE 3.92Å; F356-M374 HydrophobicContact CZ-CE 4.07Å; F356-R402 HydrophobicContact CE2-CB 4.45Å; F356-A403 HydrophobicContact CD2-CB 4.31Å; F356-A403 HydrophobicContact CE2-CB 3.5Å; F356-A403 HydrophobicContact CZ-CB 3.89Å; F356-Y406 HydrophobicContact CB-CD1 4.22Å; F356-Y406 HydrophobicContact CB-CD2 3.43Å; F356-Y406 VanDerWaalsContact CB-CD2 3.43Å; F356-Y406 HydrophobicContact CB-CE2 3.91Å; F356-Y406 HydrophobicContact CB-CG 3.59Å; F356-Y406 HydrophobicContact CG-CG 4.4Å; F356-G434 WeakPolarHBondContact O-CA 3.4Å; F356-F437 HydrophobicContact CD1-CB 3.95Å; F356-F437 HydrophobicContact CE1-CB 4.08Å; F356-F441 HydrophobicContact CE1-CB 4.33Å; F356-F441 HydrophobicContact CZ-CB 4.17Å; F356-F441 HydrophobicContact CZ-CD1 4.16Å; F356-F441 HydrophobicContact CZ-CG 4.22Å
357T90Very high88.2Confident52 Ų5257.1 Ų57.132%0.31932%0.315SS..Hα-helixtrans-71.2-23.8175.870.50000112.2D355 Y359 D360 N361 Y406D355-T357 PolarHBondContact O-N 2.93Å; D355-T357 WeakPolarHBondContact OD1-CB 3.43Å; D355-T357 PolarHBondContact OD1-N 3.41Å; D355-T357 VanDerWaalsContact OD1-N 3.1Å; D355-T357 PolarHBondContact OD1-OG1 3.04Å; T357-Y359 PolarHBondContact O-N 2.88Å; T357-D360 PolarHBondContact O-N 3.2Å; T357-D360 VanDerWaalsContact O-N 3.16Å; T357-N361 PolarHBondContact O-N 2.84Å; T357-N361 PolarHBondContact O-ND2 3.33Å; T357-Y406 HydrophobicContact CG2-CD2 3.87Å; T357-Y406 HydrophobicContact CG2-CE2 4.14Å
358R89Confident87.8Confident63 Ų6361 Ų6124%0.23833%0.327CS..Hα-helixtrans-59.6-33.1173.1-172.2178.9167.3-148.4-10.2112.1G352 D355 F356 N362 I367 E370G352-R358 PolarHBondContact O-NH1 3.49Å; D355-R358 HydrophobicContact CB-CB 4.21Å; D355-R358 WeakPolarHBondContact O-CB 3.37Å; D355-R358 PolarHBondContact O-N 2.6Å; D355-R358 PolarHBondContact OD1-N 3.14Å; F356-R358 VanDerWaalsContact C-N 3.25Å; F356-R358 PolarHBondContact O-N 2.85Å; R358-N362 WeakPolarHBondContact O-CB 3.4Å; R358-N362 PolarHBondContact O-N 3.25Å; R358-N362 PolarHBondContact O-ND2 3.49Å; R358-I367 HydrophobicContact CG-CG2 4.21Å; R358-E370 IonicContact CZ-OE1 3.72Å; R358-E370 IonicContact CZ-OE2 3.66Å; R358-E370 IonicContact NH1-OE1 2.62Å; R358-E370 IonicContact NH1-OE2 2.77Å; R358-E370 PolarHBondContact NH1-OE2 3.37Å; R358-E370 VanDerWaalsContact NH2-CD 3.29Å; R358-E370 IonicContact NH2-OE1 2.61Å; R358-E370 PolarHBondContact NH2-OE1 3.26Å; R358-E370 IonicContact NH2-OE2 3.2Å; R358-E370 PolarHBondContact NH2-OE2 2.96Å
359Y90.4Very high87.5Confident1 Ų154.7 Ų54.70%0.00431%0.308CS..Hα-helixtrans-74-26.4178.7-58.3-59000113.2F353 F356 T357 I367 G371 P433 F437F353-Y359 WeakPolarHBondContact O-CE2 3.45Å; F353-Y359 PolarHBondContact O-OH 3.16Å; F356-Y359 HydrophobicContact CB-CD2 4.44Å; F356-Y359 HydrophobicContact CD1-CD2 4.24Å; F356-Y359 HydrophobicContact CD1-CE2 4.05Å; F356-Y359 PolarHBondContact O-N 2.8Å; T357-Y359 PolarHBondContact O-N 2.88Å; Y359-I367 HydrophobicContact CD1-CG2 3.67Å; Y359-I367 HydrophobicContact CE1-CG2 3.74Å; Y359-I367 WeakPolarHBondContact CE1-O 3.39Å; Y359-G371 WeakPolarHBondContact OH-CA 3.28Å; Y359-G371 PolarHBondContact OH-N 3.11Å; Y359-P433 WeakPolarHBondContact O-CB 3.06Å; Y359-F437 HydrophobicContact CD1-CD2 4Å; Y359-F437 HydrophobicContact CD1-CE2 4.02Å; Y359-F437 HydrophobicContact CD2-CB 4.18Å; Y359-F437 AromaticContact CD2-CD2 3.69Å; Y359-F437 HydrophobicContact CD2-CD2 3.69Å; Y359-F437 HydrophobicContact CD2-CE2 4.49Å; Y359-F437 HydrophobicContact CD2-CG 4.23Å; Y359-F437 HydrophobicContact CE1-CD2 4.46Å; Y359-F437 HydrophobicContact CE2-CB 4.15Å; Y359-F437 HydrophobicContact CE2-CD2 4.15Å; Y359-F437 HydrophobicContact CE2-CG 4.3Å; Y359-F437 AromaticContact CG-CD2 3.63Å; Y359-F437 HydrophobicContact CG-CD2 3.63Å; Y359-F437 HydrophobicContact CG-CE2 4.02Å
360D88Confident87.4Confident30 Ų3053.1 Ų53.116%0.1630%0.302CS..Hα-helixtrans-74.6-39.9177.8-68.3-10.1000111.3T357 Y406 R432 P433 G434T357-D360 PolarHBondContact O-N 3.2Å; T357-D360 VanDerWaalsContact O-N 3.16Å; D360-Y406 VanDerWaalsContact CG-OH 3.25Å; D360-Y406 PolarHBondContact OD1-OH 3.27Å; D360-Y406 WeakPolarHBondContact OD2-CE2 3.29Å; D360-Y406 PolarHBondContact OD2-OH 3.29Å; D360-R432 WeakPolarHBondContact OD1-CB 3.05Å; D360-R432 IonicContact OD2-NH1 3.2Å; D360-R432 PolarHBondContact OD2-NH1 3.2Å; D360-P433 WeakPolarHBondContact OD1-CD 3.3Å; D360-G434 WeakPolarHBondContact OD1-CA 3.41Å; D360-G434 PolarHBondContact OD1-N 3.44Å
361N81.6Confident87.2Confident130 Ų13053.1 Ų53.170%0.69530%0.302SS*.Hα-helixtrans-80.7-18.8-176.3-64.5-41.1000113.5T357T357-N361 PolarHBondContact O-N 2.84Å; T357-N361 PolarHBondContact O-ND2 3.33Å
362N73.2Confident87.1Confident62 Ų6251.9 Ų51.933%0.33229%0.294SS..  trans-116.8129.3-174.3-66.8-67.9000112.3R358 I367R358-N362 WeakPolarHBondContact O-CB 3.4Å; R358-N362 PolarHBondContact O-N 3.25Å; R358-N362 PolarHBondContact O-ND2 3.49Å; N362-I367 HydrophobicContact CB-CB 4.47Å; N362-I367 HydrophobicContact CB-CD1 3.6Å; N362-I367 HydrophobicContact CB-CG2 4.33Å; N362-I367 VanDerWaalsContact CG-CD1 3.5Å
363V71Confident87.4Confident121 Ų12150.1 Ų50.173%0.73328%0.275SS*.  trans-94.6-1177.1-163.50000111.7A365V363-A365 PolarHBondContact O-N 3.43Å
364S82Confident87.5Confident46 Ų4649.4 Ų49.432%0.32227%0.271SS..  trans-68.1136.1-17664.60000111.9E366 I367 R368S364-E366 VanDerWaalsContact C-N 3.26Å; S364-E366 PolarHBondContact O-N 3.12Å; S364-I367 PolarHBondContact O-N 2.83Å; S364-I367 WeakPolarHBondContact OG-CB 3.35Å; S364-I367 VanDerWaalsContact OG-CD1 3.31Å; S364-I367 WeakPolarHBondContact OG-CD1 3.33Å; S364-I367 WeakPolarHBondContact OG-CG1 3.22Å; S364-R368 PolarHBondContact O-N 3.09Å
365A83Confident87.7Confident79 Ų7949.4 Ų49.465%0.65327%0.272SS*.Hα-helixtrans-63.3-34.317700000111.8V363 R368 A369V363-A365 PolarHBondContact O-N 3.43Å; A365-R368 PolarHBondContact O-N 2.78Å; A365-A369 WeakPolarHBondContact O-CB 3.49Å; A365-A369 PolarHBondContact O-N 2.97Å
366E85Confident87.9Confident142 Ų14246.4 Ų46.466%0.66426%0.255SS*.Hα-helixtrans-57.3-50.8175.6-66.7169.7-16600111.5S364 R368 A369 E370S364-E366 VanDerWaalsContact C-N 3.26Å; S364-E366 PolarHBondContact O-N 3.12Å; E366-R368 VanDerWaalsContact C-N 3.34Å; E366-R368 PolarHBondContact O-N 3.46Å; E366-A369 WeakPolarHBondContact O-CB 3.43Å; E366-A369 PolarHBondContact O-N 2.85Å; E366-A369 VanDerWaalsContact O-N 3.12Å; E366-E370 PolarHBondContact O-N 3.2Å
367I87.2Confident88.1Confident20 Ų2046.3 Ų46.310%0.10326%0.255CS..Hα-helixtrans-64.7-40.4179.1-65.6177.8000109.8R358 Y359 N362 S364 A369 E370 G371R358-I367 HydrophobicContact CG-CG2 4.21Å; Y359-I367 HydrophobicContact CD1-CG2 3.67Å; Y359-I367 HydrophobicContact CE1-CG2 3.74Å; Y359-I367 WeakPolarHBondContact CE1-O 3.39Å; N362-I367 HydrophobicContact CB-CB 4.47Å; N362-I367 HydrophobicContact CB-CD1 3.6Å; N362-I367 HydrophobicContact CB-CG2 4.33Å; N362-I367 VanDerWaalsContact CG-CD1 3.5Å; S364-I367 PolarHBondContact O-N 2.83Å; S364-I367 WeakPolarHBondContact OG-CB 3.35Å; S364-I367 VanDerWaalsContact OG-CD1 3.31Å; S364-I367 WeakPolarHBondContact OG-CD1 3.33Å; S364-I367 WeakPolarHBondContact OG-CG1 3.22Å; I367-A369 VanDerWaalsContact C-N 3.3Å; I367-A369 PolarHBondContact O-N 3.32Å; I367-E370 VanDerWaalsContact O-CB 3.29Å; I367-E370 WeakPolarHBondContact O-CB 3.48Å; I367-E370 PolarHBondContact O-N 2.96Å; I367-G371 PolarHBondContact O-N 3.33Å
368R87.8Confident88.4Confident99 Ų9943.9 Ų43.937%0.37424%0.24SC..Hα-helixtrans-62.9-36.4174.7-68.6-176.3-177.4173.70.4113S364 A365 E366 E370 G371 E372 F437S364-R368 PolarHBondContact O-N 3.09Å; A365-R368 PolarHBondContact O-N 2.78Å; E366-R368 VanDerWaalsContact C-N 3.34Å; E366-R368 PolarHBondContact O-N 3.46Å; R368-E370 VanDerWaalsContact C-N 3.3Å; R368-E370 PolarHBondContact O-N 3.41Å; R368-G371 PolarHBondContact O-N 2.67Å; R368-E372 PolarHBondContact O-N 2.88Å; R368-F437 HydrophobicContact CB-CZ 4.16Å; R368-F437 HydrophobicContact CG-CE2 4.43Å; R368-F437 HydrophobicContact CG-CZ 4.48Å; R368-F437 WeakPolarHBondContact O-CZ 3.38Å
369A88.6Confident88.6Confident43 Ų4342.9 Ų42.936%0.35524%0.243SC..Hα-helixtrans-65.5-33.4176.700000112.2A365 E366 I367 E372 M373A365-A369 WeakPolarHBondContact O-CB 3.49Å; A365-A369 PolarHBondContact O-N 2.97Å; E366-A369 WeakPolarHBondContact O-CB 3.43Å; E366-A369 PolarHBondContact O-N 2.85Å; E366-A369 VanDerWaalsContact O-N 3.12Å; I367-A369 VanDerWaalsContact C-N 3.3Å; I367-A369 PolarHBondContact O-N 3.32Å; A369-E372 PolarHBondContact O-N 2.8Å; A369-M373 VanDerWaalsContact O-CB 3.27Å; A369-M373 WeakPolarHBondContact O-CB 3.45Å; A369-M373 PolarHBondContact O-N 2.9Å
370E92.7Very high88.7Confident16 Ų1643.3 Ų43.38%0.07525%0.248CC..Hα-helixtrans-58.4-47171.4-69.7178.9-176.300111.7H315 F353 R358 E366 I367 R368 E372 M373 M374H315-E370 IonicContact CE1-OE1 3.45Å; H315-E370 WeakPolarHBondContact NE2-CG 3.19Å; H315-E370 IonicContact NE2-OE1 3.85Å; H315-E370 PolarHBondContact NE2-OE1 3.19Å; F353-E370 HydrophobicContact CD1-CB 3.38Å; F353-E370 HydrophobicContact CD1-CG 4.01Å; F353-E370 VanDerWaalsContact CD1-O 3.28Å; F353-E370 WeakPolarHBondContact CD1-O 3.3Å; F353-E370 HydrophobicContact CE1-CB 3.36Å; F353-E370 HydrophobicContact CE1-CG 3.5Å; F353-E370 VanDerWaalsContact CE1-CG 3.5Å; F353-E370 HydrophobicContact CE2-CG 4.31Å; F353-E370 HydrophobicContact CG-CB 4.03Å; F353-E370 HydrophobicContact CZ-CB 4.01Å; F353-E370 HydrophobicContact CZ-CG 3.65Å; R358-E370 IonicContact CZ-OE1 3.72Å; R358-E370 IonicContact CZ-OE2 3.66Å; R358-E370 IonicContact NH1-OE1 2.62Å; R358-E370 IonicContact NH1-OE2 2.77Å; R358-E370 PolarHBondContact NH1-OE2 3.37Å; R358-E370 VanDerWaalsContact NH2-CD 3.29Å; R358-E370 IonicContact NH2-OE1 2.61Å; R358-E370 PolarHBondContact NH2-OE1 3.26Å; R358-E370 IonicContact NH2-OE2 3.2Å; R358-E370 PolarHBondContact NH2-OE2 2.96Å; E366-E370 PolarHBondContact O-N 3.2Å; I367-E370 VanDerWaalsContact O-CB 3.29Å; I367-E370 WeakPolarHBondContact O-CB 3.48Å; I367-E370 PolarHBondContact O-N 2.96Å; R368-E370 VanDerWaalsContact C-N 3.3Å; R368-E370 PolarHBondContact O-N 3.41Å; E370-E372 VanDerWaalsContact C-N 3.35Å; E370-E372 PolarHBondContact O-N 2.61Å; E370-M373 WeakPolarHBondContact O-CB 3.42Å; E370-M373 PolarHBondContact O-N 2.71Å; E370-M374 PolarHBondContact O-N 3.02Å
371G91.1Very high89Confident0 Ų042.3 Ų42.30%024%0.243CC..Hα-helixtrans-62.1-40.8177.900000113Y359 I367 R368 C375Y359-G371 WeakPolarHBondContact OH-CA 3.28Å; Y359-G371 PolarHBondContact OH-N 3.11Å; I367-G371 PolarHBondContact O-N 3.33Å; R368-G371 PolarHBondContact O-N 2.67Å; G371-C375 PolarHBondContact O-N 2.74Å; G371-C375 VanDerWaalsContact O-N 3.17Å; G371-C375 PolarHBondContact O-SG 2.64Å
372E91.8Very high89.2Confident54 Ų5438.6 Ų38.625%0.25223%0.225SC..Hα-helixtrans-63.3-42.9173.1-72.1-67.4-167.200112.6R368 A369 E370 C375 T376 R436 F437 K440R368-E372 PolarHBondContact O-N 2.88Å; A369-E372 PolarHBondContact O-N 2.8Å; E370-E372 VanDerWaalsContact C-N 3.35Å; E370-E372 PolarHBondContact O-N 2.61Å; E372-C375 PolarHBondContact O-N 2.73Å; E372-T376 VanDerWaalsContact O-CB 3.29Å; E372-T376 WeakPolarHBondContact O-CB 3.43Å; E372-T376 PolarHBondContact O-N 3.35Å; E372-T376 PolarHBondContact O-OG1 2.83Å; E372-R436 IonicContact OE1-CZ 3.79Å; E372-R436 IonicContact OE1-NH1 3.08Å; E372-R436 PolarHBondContact OE1-NH1 3.23Å; E372-R436 IonicContact OE1-NH2 2.88Å; E372-R436 PolarHBondContact OE1-NH2 3.38Å; E372-R436 IonicContact OE2-NH1 2.8Å; E372-R436 IonicContact OE2-NH2 2.96Å; E372-F437 HydrophobicContact CG-CE1 3.92Å; E372-K440 IonicContact OE2-NZ 3.96Å; E372-K440 PolarHBondContact OE2-NZ 3.49Å
373M94.7Very high89.7Confident5 Ų540.3 Ų40.33%0.02524%0.238CC..Hα-helixtrans-60.8-48.3-179.1-177.2177.915800110.9L311 H315 L329 Y349 F350 F353 A369 E370 C375 T376 V377L311-M373 HydrophobicContact CB-CE 3.99Å; L311-M373 HydrophobicContact CD2-CE 3.37Å; L311-M373 HydrophobicContact CG-CE 4.29Å; L311-M373 WeakPolarHBondContact O-CE 3.46Å; H315-M373 HydrophobicContact CB-CE 4.47Å; H315-M373 HydrophobicContact CB-SD 4.12Å; L329-M373 HydrophobicContact CD1-CB 4.35Å; L329-M373 HydrophobicContact CD1-CG 4.03Å; L329-M373 HydrophobicContact CD2-CE 4.29Å; L329-M373 HydrophobicContact CD2-CG 3.63Å; L329-M373 HydrophobicContact CD2-SD 4.45Å; L329-M373 HydrophobicContact CG-CG 4.5Å; Y349-M373 HydrophobicContact CD1-CE 4.4Å; Y349-M373 HydrophobicContact CE1-CE 3.56Å; F350-M373 HydrophobicContact CE1-CE 3.86Å; F350-M373 HydrophobicContact CE1-CG 4.01Å; F350-M373 HydrophobicContact CE1-SD 4.36Å; F350-M373 HydrophobicContact CZ-CE 4.08Å; F350-M373 HydrophobicContact CZ-CG 4.2Å; F353-M373 HydrophobicContact CE1-SD 4.42Å; A369-M373 VanDerWaalsContact O-CB 3.27Å; A369-M373 WeakPolarHBondContact O-CB 3.45Å; A369-M373 PolarHBondContact O-N 2.9Å; E370-M373 WeakPolarHBondContact O-CB 3.42Å; E370-M373 PolarHBondContact O-N 2.71Å; M373-C375 PolarHBondContact O-N 3.2Å; M373-T376 PolarHBondContact O-N 3.2Å; M373-V377 WeakPolarHBondContact O-CG2 3.3Å; M373-V377 PolarHBondContact O-N 2.91Å
374M95.4Very high90.4Very high0 Ų035.6 Ų35.60%021%0.21CC..Hα-helixtrans-58.5-48.9176.1179.9-178.163.800111.8F350 F353 F356 E370 T376 V377 M378 Y399 F441F350-M374 HydrophobicContact CB-CG 4.23Å; F350-M374 HydrophobicContact CB-SD 4.34Å; F350-M374 HydrophobicContact CD1-CB 4.04Å; F350-M374 HydrophobicContact CD1-CG 4.42Å; F350-M374 HydrophobicContact CD2-CG 4.34Å; F350-M374 HydrophobicContact CE1-CB 4.27Å; F350-M374 HydrophobicContact CG-CB 4.23Å; F350-M374 HydrophobicContact CG-CG 4.1Å; F353-M374 HydrophobicContact CB-CB 4.44Å; F353-M374 HydrophobicContact CB-SD 4.1Å; F356-M374 HydrophobicContact CE1-CE 3.92Å; F356-M374 HydrophobicContact CZ-CE 4.07Å; E370-M374 PolarHBondContact O-N 3.02Å; M374-T376 VanDerWaalsContact C-N 3.34Å; M374-T376 PolarHBondContact O-N 3.03Å; M374-V377 PolarHBondContact O-N 3.43Å; M374-M378 WeakPolarHBondContact O-CG 3.44Å; M374-M378 PolarHBondContact O-N 3.38Å; M374-M378 VanDerWaalsContact O-N 3.09Å; M374-Y399 HydrophobicContact SD-CD1 4.19Å; M374-Y399 HydrophobicContact SD-CE1 3.96Å; M374-F441 HydrophobicContact CE-CD2 3.8Å; M374-F441 HydrophobicContact CE-CE2 4.32Å; M374-F441 HydrophobicContact CE-CG 4.27Å; M374-F441 HydrophobicContact CG-CD2 4.07Å; M374-F441 HydrophobicContact CG-CE2 4.02Å; M374-F441 HydrophobicContact SD-CD2 4.06Å; M374-F441 HydrophobicContact SD-CE2 3.97Å
375C95.3Very high90.6Very high1 Ų136.8 Ų36.81%0.00722%0.218CC..Hα-helixtrans-63.7-40179.9-64.60000111.9G371 E372 M373 M378 S379 K440G371-C375 PolarHBondContact O-N 2.74Å; G371-C375 VanDerWaalsContact O-N 3.17Å; G371-C375 PolarHBondContact O-SG 2.64Å; E372-C375 PolarHBondContact O-N 2.73Å; M373-C375 PolarHBondContact O-N 3.2Å; C375-M378 PolarHBondContact O-N 2.86Å; C375-S379 PolarHBondContact O-N 3.03Å; C375-K440 HydrophobicContact CB-CD 3.8Å; C375-K440 HydrophobicContact CB-CG 3.89Å
376T95.7Very high91Very high7 Ų733.8 Ų33.84%0.04319%0.191CC..Hα-helixtrans-69.3-39.5-178.6-53.50000111.5E326 L329 R330 E372 M373 M374 M378 S379 G380E326-T376 HydrophobicContact CB-CG2 4.1Å; E326-T376 HydrophobicContact CG-CG2 4.41Å; E326-T376 WeakPolarHBondContact O-CG2 3.19Å; L329-T376 HydrophobicContact CB-CG2 3.72Å; L329-T376 HydrophobicContact CD1-CG2 4.28Å; R330-T376 HydrophobicContact CG-CG2 4.01Å; E372-T376 VanDerWaalsContact O-CB 3.29Å; E372-T376 WeakPolarHBondContact O-CB 3.43Å; E372-T376 PolarHBondContact O-N 3.35Å; E372-T376 PolarHBondContact O-OG1 2.83Å; M373-T376 PolarHBondContact O-N 3.2Å; M374-T376 VanDerWaalsContact C-N 3.34Å; M374-T376 PolarHBondContact O-N 3.03Å; T376-M378 VanDerWaalsContact C-N 3.35Å; T376-S379 PolarHBondContact O-N 2.91Å; T376-S379 PolarHBondContact O-OG 3.28Å; T376-G380 PolarHBondContact O-N 3.11Å
377V96.6Very high91.2Very high2 Ų227 Ų271%0.01216%0.159CC..Hα-helixtrans-61.7-44.2172.4172.70000111L329 V332 G333 V346 F350 M373 M374 S379 G380L329-V377 HydrophobicContact CB-CG2 4.06Å; L329-V377 HydrophobicContact CD2-CG2 3.89Å; L329-V377 WeakPolarHBondContact O-CA 3.26Å; L329-V377 WeakPolarHBondContact O-CG2 3.29Å; V332-V377 HydrophobicContact CB-CG2 4.29Å; V332-V377 HydrophobicContact CG1-CG1 4.13Å; V332-V377 HydrophobicContact CG1-CG2 4.2Å; G333-V377 VanDerWaalsContact CA-O 3.31Å; G333-V377 WeakPolarHBondContact CA-O 3Å; V346-V377 HydrophobicContact CG1-CG1 4.24Å; F350-V377 HydrophobicContact CE2-CB 3.87Å; F350-V377 HydrophobicContact CE2-CG1 3.9Å; F350-V377 HydrophobicContact CE2-CG2 3.98Å; F350-V377 HydrophobicContact CZ-CB 4.1Å; F350-V377 HydrophobicContact CZ-CG2 3.75Å; M373-V377 WeakPolarHBondContact O-CG2 3.3Å; M373-V377 PolarHBondContact O-N 2.91Å; M374-V377 PolarHBondContact O-N 3.43Å; V377-S379 VanDerWaalsContact C-N 3.29Å; V377-S379 PolarHBondContact O-N 2.88Å; V377-G380 PolarHBondContact O-N 3.42Å
378M95.9Very high91.4Very high1 Ų128.2 Ų28.21%0.00517%0.169CC..Hα-helixtrans-62.6-35.1176.9-74-54.4-55.700113.3M374 C375 T376 G380 V381 K391 F394 F441 E444 L445M374-M378 WeakPolarHBondContact O-CG 3.44Å; M374-M378 PolarHBondContact O-N 3.38Å; M374-M378 VanDerWaalsContact O-N 3.09Å; C375-M378 PolarHBondContact O-N 2.86Å; T376-M378 VanDerWaalsContact C-N 3.35Å; M378-G380 PolarHBondContact O-N 3.33Å; M378-V381 HydrophobicContact CE-CG2 4.31Å; M378-V381 WeakPolarHBondContact O-CB 3.29Å; M378-V381 PolarHBondContact O-N 3.12Å; M378-V381 HydrophobicContact SD-CG2 4.38Å; M378-K391 HydrophobicContact CE-CG 4.21Å; M378-F394 HydrophobicContact CE-CD2 4.32Å; M378-F394 HydrophobicContact CE-CE2 4.49Å; M378-F394 HydrophobicContact SD-CD1 4.18Å; M378-F394 HydrophobicContact SD-CD2 3.86Å; M378-F394 HydrophobicContact SD-CE1 3.86Å; M378-F394 HydrophobicContact SD-CE2 3.52Å; M378-F394 VanDerWaalsContact SD-CE2 3.52Å; M378-F394 HydrophobicContact SD-CG 4.17Å; M378-F394 HydrophobicContact SD-CZ 3.5Å; M378-F394 VanDerWaalsContact SD-CZ 3.5Å; M378-F441 HydrophobicContact CG-CD2 4.1Å; M378-F441 HydrophobicContact CG-CE2 3.64Å; M378-E444 HydrophobicContact CB-CB 3.78Å; M378-E444 HydrophobicContact CB-CG 4.48Å; M378-L445 HydrophobicContact CE-CD1 3.8Å
379S94.4Very high91.6Very high42 Ų4228.5 Ų28.529%0.29418%0.176SC..Hα-helixtrans-64.3-22.1174.977.40000113.4C375 T376 V377 V381 E444C375-S379 PolarHBondContact O-N 3.03Å; T376-S379 PolarHBondContact O-N 2.91Å; T376-S379 PolarHBondContact O-OG 3.28Å; V377-S379 VanDerWaalsContact C-N 3.29Å; V377-S379 PolarHBondContact O-N 2.88Å; S379-V381 VanDerWaalsContact C-N 3.32Å; S379-E444 WeakPolarHBondContact CA-OE2 3.49Å; S379-E444 WeakPolarHBondContact CB-OE2 3.26Å
380G92.6Very high91.9Very high10 Ų1026.5 Ų26.510%0.10316%0.159CC..THydrogen-bonded Turntrans-77.1-13.8173.700000114.7R330 L334 T376 V377 M378 T382R330-G380 VanDerWaalsContact O-CA 3.27Å; R330-G380 WeakPolarHBondContact O-CA 3.49Å; L334-G380 PolarHBondContact N-O 3.36Å; T376-G380 PolarHBondContact O-N 3.11Å; V377-G380 PolarHBondContact O-N 3.42Å; M378-G380 PolarHBondContact O-N 3.33Å; G380-T382 PolarHBondContact O-N 2.92Å
381V93.2Very high92.1Very high8 Ų826 Ų265%0.04816%0.156CC..SBendtrans-78104.8179.1-1780000109.2L337 M378 S379 V390 K391L337-V381 HydrophobicContact CD2-CG1 4.34Å; M378-V381 HydrophobicContact CE-CG2 4.31Å; M378-V381 WeakPolarHBondContact O-CB 3.29Å; M378-V381 PolarHBondContact O-N 3.12Å; M378-V381 HydrophobicContact SD-CG2 4.38Å; S379-V381 VanDerWaalsContact C-N 3.32Å; V381-V390 HydrophobicContact CG1-CB 3.98Å; V381-V390 HydrophobicContact CG1-CG1 4.23Å; V381-V390 HydrophobicContact CG1-CG2 4.32Å; V381-V390 HydrophobicContact CG2-CG1 4.06Å; V381-K391 HydrophobicContact CG1-CG 4.33Å
382T86.4Confident92.3Very high52 Ų5228.6 Ų28.632%0.31917%0.17SC..  trans-61.6155.6-177.6630000113L334 L337 G380 S384 G387L334-T382 HydrophobicContact CD1-CG2 3.62Å; L337-T382 HydrophobicContact CD1-CG2 4.36Å; L337-T382 WeakPolarHBondContact CD1-OG1 3.38Å; G380-T382 PolarHBondContact O-N 2.92Å; T382-S384 VanDerWaalsContact C-N 3.32Å; T382-S384 PolarHBondContact O-N 3.28Å; T382-S384 PolarHBondContact OG1-OG 3.36Å; T382-S384 VanDerWaalsContact OG1-OG 3.13Å; T382-G387 WeakPolarHBondContact O-CA 3.24Å
383T83Confident92.4Very high99 Ų9928.2 Ų28.261%0.60717%0.169SC*.SBendtrans-78.481.3171.552.20000109.8R447T383-R447 HydrophobicContact CG2-CG 4.04Å
384S86.1Confident92.5Very high21 Ų2128.1 Ų28.115%0.14717%0.168CC..SBendtrans-137.6171.5177.958.60000110.7T382 F386 G387 C388T382-S384 VanDerWaalsContact C-N 3.32Å; T382-S384 PolarHBondContact O-N 3.28Å; T382-S384 PolarHBondContact OG1-OG 3.36Å; T382-S384 VanDerWaalsContact OG1-OG 3.13Å; S384-F386 VanDerWaalsContact C-N 3.28Å; S384-F386 PolarHBondContact O-N 3.45Å; S384-G387 PolarHBondContact O-N 3.19Å; S384-G387 VanDerWaalsContact O-N 3.14Å; S384-G387 PolarHBondContact OG-N 3.17Å; S384-C388 PolarHBondContact O-N 3.12Å
385S87.1Confident92.5Very high72 Ų7230 Ų3050%0.50318%0.179SC..Hα-helixtrans-54.2-46.1171.2510000111.1C388 M389S385-C388 WeakPolarHBondContact O-CB 3.49Å; S385-C388 PolarHBondContact O-N 3.39Å; S385-M389 PolarHBondContact O-N 3.11Å; S385-M389 VanDerWaalsContact O-N 3.15Å
386F89.7Confident92.5Very high16 Ų1637.3 Ų37.37%0.0721%0.211CC..Hα-helixtrans-63.3-41.4174.5-61.1-66.9000112.5D291 F294 L337 S384 C388 M389 V390D291-F386 HydrophobicContact CB-CZ 4.23Å; F294-F386 HydrophobicContact CB-CE2 3.92Å; F294-F386 HydrophobicContact CB-CZ 3.85Å; F294-F386 AromaticContact CD1-CD1 3.97Å; F294-F386 HydrophobicContact CD1-CD1 3.97Å; F294-F386 AromaticContact CD1-CD2 3.64Å; F294-F386 HydrophobicContact CD1-CD2 3.64Å; F294-F386 AromaticContact CD1-CE1 3.63Å; F294-F386 HydrophobicContact CD1-CE1 3.63Å; F294-F386 AromaticContact CD1-CE2 3.28Å; F294-F386 HydrophobicContact CD1-CE2 3.28Å; F294-F386 AromaticContact CD1-CG 3.97Å; F294-F386 HydrophobicContact CD1-CG 3.97Å; F294-F386 AromaticContact CD1-CZ 3.27Å; F294-F386 HydrophobicContact CD1-CZ 3.27Å; F294-F386 HydrophobicContact CD2-CD2 4.48Å; F294-F386 HydrophobicContact CD2-CE2 4.12Å; F294-F386 HydrophobicContact CE1-CB 4.33Å; F294-F386 AromaticContact CE1-CD1 3.93Å; F294-F386 HydrophobicContact CE1-CD1 3.93Å; F294-F386 AromaticContact CE1-CD2 3.54Å; F294-F386 HydrophobicContact CE1-CD2 3.54Å; F294-F386 HydrophobicContact CE1-CE1 4.09Å; F294-F386 AromaticContact CE1-CE2 3.73Å; F294-F386 HydrophobicContact CE1-CE2 3.73Å; F294-F386 AromaticContact CE1-CG 3.64Å; F294-F386 HydrophobicContact CE1-CG 3.64Å; F294-F386 AromaticContact CE1-CZ 3.99Å; F294-F386 HydrophobicContact CE1-CZ 3.99Å; F294-F386 HydrophobicContact CE2-CD2 4.41Å; F294-F386 HydrophobicContact CE2-CE2 4.49Å; F294-F386 HydrophobicContact CG-CD2 4.12Å; F294-F386 HydrophobicContact CG-CE1 4.49Å; F294-F386 AromaticContact CG-CE2 3.49Å; F294-F386 HydrophobicContact CG-CE2 3.49Å; F294-F386 VanDerWaalsContact CG-CE2 3.49Å; F294-F386 AromaticContact CG-CZ 3.71Å; F294-F386 HydrophobicContact CG-CZ 3.71Å; F294-F386 AromaticContact CZ-CD2 3.95Å; F294-F386 HydrophobicContact CZ-CD2 3.95Å; F294-F386 HydrophobicContact CZ-CE2 4.31Å; F294-F386 HydrophobicContact CZ-CG 4.31Å; L337-F386 HydrophobicContact CB-CB 4.13Å; L337-F386 HydrophobicContact CD2-CB 3.96Å; S384-F386 VanDerWaalsContact C-N 3.28Å; S384-F386 PolarHBondContact O-N 3.45Å; F386-C388 VanDerWaalsContact C-N 3.29Å; F386-C388 PolarHBondContact O-N 3.21Å; F386-M389 HydrophobicContact CD1-SD 4.15Å; F386-M389 WeakPolarHBondContact O-CB 3.34Å; F386-M389 PolarHBondContact O-N 3.35Å; F386-M389 VanDerWaalsContact O-N 3.08Å; F386-V390 WeakPolarHBondContact O-CG2 3.2Å; F386-V390 PolarHBondContact O-N 3.2Å; F386-V390 VanDerWaalsContact O-N 3.13Å
387G90.7Very high92.5Very high0 Ų038.8 Ų38.80%022%0.224CC..Hα-helixtrans-60.9-39.4175.700000112.4L337 T382 S384 M389 V390 K391L337-G387 VanDerWaalsContact CD2-CA 3.49Å; T382-G387 WeakPolarHBondContact O-CA 3.24Å; S384-G387 PolarHBondContact O-N 3.19Å; S384-G387 VanDerWaalsContact O-N 3.14Å; S384-G387 PolarHBondContact OG-N 3.17Å; G387-M389 VanDerWaalsContact C-N 3.32Å; G387-M389 PolarHBondContact O-N 2.84Å; G387-V390 WeakPolarHBondContact O-CB 3.41Å; G387-V390 PolarHBondContact O-N 3.23Å; G387-K391 VanDerWaalsContact O-CG 3.32Å; G387-K391 WeakPolarHBondContact O-CG 3.33Å; G387-K391 PolarHBondContact O-N 3.02Å
388C91.2Very high92.4Very high45 Ų4539.7 Ų39.730%0.30423%0.234SC..Hα-helixtrans-60.5-40.1172.6-174.20000111.8S384 S385 F386 V390 K391 N392 H449S384-C388 PolarHBondContact O-N 3.12Å; S385-C388 WeakPolarHBondContact O-CB 3.49Å; S385-C388 PolarHBondContact O-N 3.39Å; F386-C388 VanDerWaalsContact C-N 3.29Å; F386-C388 PolarHBondContact O-N 3.21Å; C388-V390 PolarHBondContact O-N 3.35Å; C388-K391 PolarHBondContact O-N 2.89Å; C388-N392 WeakPolarHBondContact O-CB 3.32Å; C388-N392 VanDerWaalsContact O-CG 3.28Å; C388-N392 PolarHBondContact O-N 3.32Å; C388-N392 PolarHBondContact O-ND2 3.44Å; C388-N392 PolarHBondContact SG-ND2 3.14Å; C388-H449 VanDerWaalsContact SG-CD2 3.57Å
389M91.6Very high92.4Very high105 Ų10539.6 Ų39.652%0.51723%0.233SC..Hα-helixtrans-60.9-42.5174.7-63.7174.16600112.4S385 F386 G387 N392 Q393S385-M389 PolarHBondContact O-N 3.11Å; S385-M389 VanDerWaalsContact O-N 3.15Å; F386-M389 HydrophobicContact CD1-SD 4.15Å; F386-M389 WeakPolarHBondContact O-CB 3.34Å; F386-M389 PolarHBondContact O-N 3.35Å; F386-M389 VanDerWaalsContact O-N 3.08Å; G387-M389 VanDerWaalsContact C-N 3.32Å; G387-M389 PolarHBondContact O-N 2.84Å; M389-N392 PolarHBondContact O-N 3.4Å; M389-Q393 WeakPolarHBondContact O-CG 3.48Å; M389-Q393 PolarHBondContact O-N 3.26Å
390V95.1Very high92.4Very high1 Ų137.8 Ų37.81%0.00622%0.22CC..Hα-helixtrans-60-52175.2-176.90000109.9T336 L337 I343 V381 F386 G387 C388 N392 Q393 F394T336-V390 WeakPolarHBondContact OG1-CG2 3.43Å; L337-V390 HydrophobicContact CD2-CG2 3.98Å; I343-V390 HydrophobicContact CD1-CG2 3.86Å; I343-V390 HydrophobicContact CG1-CG1 4.5Å; I343-V390 HydrophobicContact CG1-CG2 3.95Å; I343-V390 HydrophobicContact CG2-CG1 4.48Å; V381-V390 HydrophobicContact CG1-CB 3.98Å; V381-V390 HydrophobicContact CG1-CG1 4.23Å; V381-V390 HydrophobicContact CG1-CG2 4.32Å; V381-V390 HydrophobicContact CG2-CG1 4.06Å; F386-V390 WeakPolarHBondContact O-CG2 3.2Å; F386-V390 PolarHBondContact O-N 3.2Å; F386-V390 VanDerWaalsContact O-N 3.13Å; G387-V390 WeakPolarHBondContact O-CB 3.41Å; G387-V390 PolarHBondContact O-N 3.23Å; C388-V390 PolarHBondContact O-N 3.35Å; V390-N392 VanDerWaalsContact C-N 3.3Å; V390-N392 PolarHBondContact O-N 3.36Å; V390-Q393 WeakPolarHBondContact O-CB 3.13Å; V390-Q393 PolarHBondContact O-N 3.32Å; V390-F394 HydrophobicContact CG1-CD2 4.13Å; V390-F394 HydrophobicContact CG1-CE2 3.97Å; V390-F394 WeakPolarHBondContact O-CD2 3.25Å; V390-F394 PolarHBondContact O-N 3.23Å
391K95.8Very high92.5Very high4 Ų439.6 Ų39.62%0.01723%0.231CC..Hα-helixtrans-60.3-39.5-178.9-65.2179-175.2-148.20111.9M378 V381 G387 C388 Q393 F394 V395 E444 L445 R447 H449M378-K391 HydrophobicContact CE-CG 4.21Å; V381-K391 HydrophobicContact CG1-CG 4.33Å; G387-K391 VanDerWaalsContact O-CG 3.32Å; G387-K391 WeakPolarHBondContact O-CG 3.33Å; G387-K391 PolarHBondContact O-N 3.02Å; C388-K391 PolarHBondContact O-N 2.89Å; K391-Q393 VanDerWaalsContact C-N 3.28Å; K391-Q393 PolarHBondContact O-N 3.34Å; K391-F394 PolarHBondContact O-N 2.99Å; K391-V395 WeakPolarHBondContact O-CG2 3.39Å; K391-V395 PolarHBondContact O-N 3.24Å; K391-E444 PolarHBondContact NZ-O 3.46Å; K391-L445 HydrophobicContact CB-CD1 3.88Å; K391-L445 WeakPolarHBondContact CD-O 3.04Å; K391-L445 HydrophobicContact CG-CD1 3.99Å; K391-R447 PolarHBondContact NZ-O 3.34Å; K391-H449 HydrophobicContact CD-CB 3.74Å
392N95.1Very high92.6Very high55 Ų5542.7 Ų42.729%0.29424%0.242SC..Hα-helixtrans-58.3-37.2173.7-81.2-44.5000113C388 M389 V390 V395 K396 H449C388-N392 WeakPolarHBondContact O-CB 3.32Å; C388-N392 VanDerWaalsContact O-CG 3.28Å; C388-N392 PolarHBondContact O-N 3.32Å; C388-N392 PolarHBondContact O-ND2 3.44Å; C388-N392 PolarHBondContact SG-ND2 3.14Å; M389-N392 PolarHBondContact O-N 3.4Å; V390-N392 VanDerWaalsContact C-N 3.3Å; V390-N392 PolarHBondContact O-N 3.36Å; N392-V395 PolarHBondContact O-N 3.31Å; N392-K396 VanDerWaalsContact O-CG 3.31Å; N392-K396 WeakPolarHBondContact O-CG 3.38Å; N392-K396 PolarHBondContact O-N 2.74Å; N392-H449 PolarHBondContact OD1-NE2 3.3Å
393Q95.8Very high93.1Very high47 Ų4740.2 Ų40.222%0.2223%0.227CC..Hα-helixtrans-70.5-39.4177.4-65.5-64.4-6.600112.2I343 V347 M389 V390 K391 V395 K396 A397I343-Q393 HydrophobicContact CG2-CB 3.55Å; I343-Q393 HydrophobicContact CG2-CG 3.68Å; V347-Q393 HydrophobicContact CG2-CB 4.32Å; M389-Q393 WeakPolarHBondContact O-CG 3.48Å; M389-Q393 PolarHBondContact O-N 3.26Å; V390-Q393 WeakPolarHBondContact O-CB 3.13Å; V390-Q393 PolarHBondContact O-N 3.32Å; K391-Q393 VanDerWaalsContact C-N 3.28Å; K391-Q393 PolarHBondContact O-N 3.34Å; Q393-V395 VanDerWaalsContact C-N 3.3Å; Q393-V395 PolarHBondContact O-N 3.15Å; Q393-K396 PolarHBondContact O-N 2.89Å; Q393-A397 WeakPolarHBondContact O-CB 3.37Å; Q393-A397 PolarHBondContact O-N 3.48Å
394F96.6Very high93.6Very high2 Ų235.6 Ų35.61%0.00920%0.199CC..Hα-helixtrans-61-39.8171.4-83.7-92.8000112.2V346 V347 M378 V390 K391 A397 G398 Y399 F441 L445V346-F394 HydrophobicContact CG1-CZ 3.97Å; V347-F394 HydrophobicContact CG2-CD1 4.43Å; V347-F394 HydrophobicContact CG2-CD2 3.76Å; V347-F394 HydrophobicContact CG2-CE1 4.35Å; V347-F394 HydrophobicContact CG2-CE2 3.67Å; V347-F394 HydrophobicContact CG2-CG 4.16Å; V347-F394 HydrophobicContact CG2-CZ 3.99Å; M378-F394 HydrophobicContact CE-CD2 4.32Å; M378-F394 HydrophobicContact CE-CE2 4.49Å; M378-F394 HydrophobicContact SD-CD1 4.18Å; M378-F394 HydrophobicContact SD-CD2 3.86Å; M378-F394 HydrophobicContact SD-CE1 3.86Å; M378-F394 HydrophobicContact SD-CE2 3.52Å; M378-F394 VanDerWaalsContact SD-CE2 3.52Å; M378-F394 HydrophobicContact SD-CG 4.17Å; M378-F394 HydrophobicContact SD-CZ 3.5Å; M378-F394 VanDerWaalsContact SD-CZ 3.5Å; V390-F394 HydrophobicContact CG1-CD2 4.13Å; V390-F394 HydrophobicContact CG1-CE2 3.97Å; V390-F394 WeakPolarHBondContact O-CD2 3.25Å; V390-F394 PolarHBondContact O-N 3.23Å; K391-F394 PolarHBondContact O-N 2.99Å; F394-A397 PolarHBondContact O-N 3.44Å; F394-G398 PolarHBondContact O-N 2.93Å; F394-Y399 AromaticContact CD1-CD1 3.67Å; F394-Y399 HydrophobicContact CD1-CD1 3.67Å; F394-Y399 AromaticContact CD1-CD2 3.9Å; F394-Y399 HydrophobicContact CD1-CD2 3.9Å; F394-Y399 AromaticContact CD1-CE1 3.86Å; F394-Y399 HydrophobicContact CD1-CE1 3.86Å; F394-Y399 HydrophobicContact CD1-CE2 4.09Å; F394-Y399 AromaticContact CD1-CG 3.68Å; F394-Y399 HydrophobicContact CD1-CG 3.68Å; F394-Y399 HydrophobicContact CE1-CD1 4.07Å; F394-Y399 AromaticContact CE1-CE1 3.83Å; F394-Y399 HydrophobicContact CE1-CE1 3.83Å; F394-Y399 HydrophobicContact CE1-CE2 4.47Å; F394-Y399 HydrophobicContact CE1-CG 4.47Å; F394-Y399 WeakPolarHBondContact O-CB 3.08Å; F394-Y399 WeakPolarHBondContact O-CD2 3.44Å; F394-Y399 PolarHBondContact O-N 2.91Å; F394-Y399 VanDerWaalsContact O-N 3.09Å; F394-F441 HydrophobicContact CD1-CE2 4.43Å; F394-F441 HydrophobicContact CD1-CZ 4.09Å; F394-L445 HydrophobicContact CB-CD1 4.13Å
395V95.1Very high94Very high39 Ų3938.8 Ų38.824%0.23621%0.214CC..Hα-helixtrans-63.3-48.6174.4173.50000111.3K391 N392 Q393 A397 G398 L400 L445 S452K391-V395 WeakPolarHBondContact O-CG2 3.39Å; K391-V395 PolarHBondContact O-N 3.24Å; N392-V395 PolarHBondContact O-N 3.31Å; Q393-V395 VanDerWaalsContact C-N 3.3Å; Q393-V395 PolarHBondContact O-N 3.15Å; V395-A397 VanDerWaalsContact C-N 3.26Å; V395-A397 PolarHBondContact O-N 3.24Å; V395-G398 PolarHBondContact O-N 2.89Å; V395-L400 HydrophobicContact CB-CD2 4.48Å; V395-L400 HydrophobicContact CG1-CD2 3.99Å; V395-L400 HydrophobicContact CG2-CB 4.01Å; V395-L400 HydrophobicContact CG2-CD2 3.74Å; V395-L445 HydrophobicContact CG2-CD2 4.3Å; V395-S452 WeakPolarHBondContact CG2-OG 3.2Å
396K94.7Very high94.3Very high155 Ų15535.8 Ų35.867%0.67419%0.192SC*.Hα-helixtrans-60.6-34.7177.4-74.1174.4-177.1178.60112.7N392 Q393 G398N392-K396 VanDerWaalsContact O-CG 3.31Å; N392-K396 WeakPolarHBondContact O-CG 3.38Å; N392-K396 PolarHBondContact O-N 2.74Å; Q393-K396 PolarHBondContact O-N 2.89Å; K396-G398 PolarHBondContact O-N 2.94Å
397A95.2Very high94.4Very high38 Ų3835 Ų3531%0.31419%0.189SC..THydrogen-bonded Turntrans-78.46.8174.700000113.8V347 Q393 F394 V395 Y399 R402V347-A397 HydrophobicContact CG1-CB 3.47Å; V347-A397 VanDerWaalsContact CG1-CB 3.47Å; Q393-A397 WeakPolarHBondContact O-CB 3.37Å; Q393-A397 PolarHBondContact O-N 3.48Å; F394-A397 PolarHBondContact O-N 3.44Å; V395-A397 VanDerWaalsContact C-N 3.26Å; V395-A397 PolarHBondContact O-N 3.24Å; A397-Y399 HydrophobicContact CB-CD2 3.79Å; A397-Y399 HydrophobicContact CB-CE2 3.83Å; A397-Y399 PolarHBondContact O-N 2.79Å; A397-R402 PolarHBondContact O-NH2 3.01Å; A397-R402 VanDerWaalsContact O-NH2 3.1Å
398G94.5Very high94.3Very high21 Ų2136.8 Ų36.822%0.21620%0.198CC..THydrogen-bonded Turntrans7811.6171.700000115.4F394 V395 K396 S401 R402F394-G398 PolarHBondContact O-N 2.93Å; V395-G398 PolarHBondContact O-N 2.89Å; K396-G398 PolarHBondContact O-N 2.94Å; G398-S401 PolarHBondContact O-N 2.71Å; G398-R402 WeakPolarHBondContact O-CG 3.19Å; G398-R402 PolarHBondContact O-N 2.92Å; G398-R402 PolarHBondContact O-NE 3.02Å
399Y96.7Very high94.2Very high0 Ų038.4 Ų38.40%021%0.214CC..Hα-helixtrans-65-42.8179.1-78.2-111.3000112.2V347 F350 D351 S354 M374 F394 A397 R402 A403 F441V347-Y399 HydrophobicContact CG1-CE2 4.05Å; V347-Y399 PolarHBondContact O-OH 3.16Å; F350-Y399 WeakPolarHBondContact CA-OH 3.25Å; F350-Y399 HydrophobicContact CB-CE1 4.07Å; F350-Y399 WeakPolarHBondContact CB-OH 3.33Å; F350-Y399 PolarHBondContact O-OH 3.37Å; D351-Y399 WeakPolarHBondContact CA-OH 3.48Å; D351-Y399 PolarHBondContact N-OH 3.46Å; S354-Y399 VanDerWaalsContact CB-CE1 3.43Å; M374-Y399 HydrophobicContact SD-CD1 4.19Å; M374-Y399 HydrophobicContact SD-CE1 3.96Å; F394-Y399 AromaticContact CD1-CD1 3.67Å; F394-Y399 HydrophobicContact CD1-CD1 3.67Å; F394-Y399 AromaticContact CD1-CD2 3.9Å; F394-Y399 HydrophobicContact CD1-CD2 3.9Å; F394-Y399 AromaticContact CD1-CE1 3.86Å; F394-Y399 HydrophobicContact CD1-CE1 3.86Å; F394-Y399 HydrophobicContact CD1-CE2 4.09Å; F394-Y399 AromaticContact CD1-CG 3.68Å; F394-Y399 HydrophobicContact CD1-CG 3.68Å; F394-Y399 HydrophobicContact CE1-CD1 4.07Å; F394-Y399 AromaticContact CE1-CE1 3.83Å; F394-Y399 HydrophobicContact CE1-CE1 3.83Å; F394-Y399 HydrophobicContact CE1-CE2 4.47Å; F394-Y399 HydrophobicContact CE1-CG 4.47Å; F394-Y399 WeakPolarHBondContact O-CB 3.08Å; F394-Y399 WeakPolarHBondContact O-CD2 3.44Å; F394-Y399 PolarHBondContact O-N 2.91Å; F394-Y399 VanDerWaalsContact O-N 3.09Å; A397-Y399 HydrophobicContact CB-CD2 3.79Å; A397-Y399 HydrophobicContact CB-CE2 3.83Å; A397-Y399 PolarHBondContact O-N 2.79Å; Y399-R402 PolarHBondContact O-N 2.73Å; Y399-A403 PolarHBondContact O-N 2.97Å; Y399-F441 HydrophobicContact CD1-CE1 4.45Å; Y399-F441 HydrophobicContact CD1-CE2 4.23Å; Y399-F441 AromaticContact CD1-CZ 3.75Å; Y399-F441 HydrophobicContact CD1-CZ 3.75Å; Y399-F441 HydrophobicContact CG-CZ 4.15Å
400L95Very high94Very high3 Ų335.8 Ų35.82%0.01620%0.201CC..Hα-helixtrans-59.5-48.5177.1174.162.5000111V395 A403 T404 L442 L445 H455 V456V395-L400 HydrophobicContact CB-CD2 4.48Å; V395-L400 HydrophobicContact CG1-CD2 3.99Å; V395-L400 HydrophobicContact CG2-CB 4.01Å; V395-L400 HydrophobicContact CG2-CD2 3.74Å; L400-A403 PolarHBondContact O-N 3.37Å; L400-T404 HydrophobicContact CD1-CG2 4.33Å; L400-T404 PolarHBondContact O-N 3.18Å; L400-T404 PolarHBondContact O-OG1 3.4Å; L400-L442 HydrophobicContact CD1-CD2 3.87Å; L400-L445 HydrophobicContact CB-CD2 3.82Å; L400-L445 HydrophobicContact CD1-CD2 4Å; L400-L445 HydrophobicContact CG-CD2 4.41Å; L400-H455 HydrophobicContact CD2-CB 3.74Å; L400-H455 HydrophobicContact CG-CB 4.43Å; L400-V456 HydrophobicContact CD1-CG2 3.86Å
401S94.5Very high93.4Very high48 Ų4836.2 Ų36.234%0.33620%0.204SC..Hα-helixtrans-60.1-48.3177.3-56.70000111.2G398 A403 T404 D405G398-S401 PolarHBondContact O-N 2.71Å; S401-A403 VanDerWaalsContact C-N 3.3Å; S401-A403 PolarHBondContact O-N 3.27Å; S401-T404 WeakPolarHBondContact CA-OG1 3.43Å; S401-T404 PolarHBondContact O-N 3.03Å; S401-T404 PolarHBondContact O-OG1 3.46Å; S401-D405 WeakPolarHBondContact O-CB 3.49Å; S401-D405 PolarHBondContact O-N 3.45Å
402R95.8Very high92.5Very high73 Ų7336.5 Ų36.528%0.27521%0.207SC..Hα-helixtrans-56.2-42176.5-77.1-175.9-85.9-166.2-5.1112.9D351 S354 F356 A397 G398 Y399 Y406D351-R402 PolarHBondContact O-NH1 3.03Å; D351-R402 VanDerWaalsContact O-NH1 3.09Å; D351-R402 IonicContact OD1-CZ 2.72Å; D351-R402 IonicContact OD1-NH1 3.64Å; D351-R402 PolarHBondContact OD1-NH1 3.38Å; D351-R402 IonicContact OD1-NH2 2.66Å; D351-R402 PolarHBondContact OD1-NH2 3Å; S354-R402 PolarHBondContact OG-NE 2.97Å; S354-R402 VanDerWaalsContact OG-NE 3.17Å; S354-R402 PolarHBondContact OG-NH1 3.42Å; S354-R402 PolarHBondContact OG-NH2 3.42Å; F356-R402 HydrophobicContact CE2-CB 4.45Å; A397-R402 PolarHBondContact O-NH2 3.01Å; A397-R402 VanDerWaalsContact O-NH2 3.1Å; G398-R402 WeakPolarHBondContact O-CG 3.19Å; G398-R402 PolarHBondContact O-N 2.92Å; G398-R402 PolarHBondContact O-NE 3.02Å; Y399-R402 PolarHBondContact O-N 2.73Å; R402-Y406 WeakPolarHBondContact O-CB 3.49Å; R402-Y406 PolarHBondContact O-N 3.4Å
403A95.7Very high91.3Very high0 Ų036.9 Ų36.90%022%0.217CC..Hα-helixtrans-66.9-45178.200000112.1F356 Y399 L400 S401 L407 S438 F441 L442F356-A403 HydrophobicContact CD2-CB 4.31Å; F356-A403 HydrophobicContact CE2-CB 3.5Å; F356-A403 HydrophobicContact CZ-CB 3.89Å; Y399-A403 PolarHBondContact O-N 2.97Å; L400-A403 PolarHBondContact O-N 3.37Å; S401-A403 VanDerWaalsContact C-N 3.3Å; S401-A403 PolarHBondContact O-N 3.27Å; A403-L407 PolarHBondContact O-N 2.98Å; A403-S438 PolarHBondContact O-OG 3.39Å; A403-F441 HydrophobicContact CB-CD1 4.15Å; A403-L442 HydrophobicContact CB-CD1 4.43Å; A403-L442 HydrophobicContact CB-CD2 3.65Å; A403-L442 HydrophobicContact CB-CG 3.91Å
404T94Very high89.8Confident3 Ų335.7 Ų35.72%0.01822%0.215CC..Hα-helixtrans-69.2-40176.953.70000112.6L400 S401 Y406 L407 L408 L442 H455 V456L400-T404 HydrophobicContact CD1-CG2 4.33Å; L400-T404 PolarHBondContact O-N 3.18Å; L400-T404 PolarHBondContact O-OG1 3.4Å; S401-T404 WeakPolarHBondContact CA-OG1 3.43Å; S401-T404 PolarHBondContact O-N 3.03Å; S401-T404 PolarHBondContact O-OG1 3.46Å; T404-Y406 VanDerWaalsContact C-N 3.28Å; T404-Y406 PolarHBondContact O-N 3.5Å; T404-L407 WeakPolarHBondContact O-CB 3.33Å; T404-L407 PolarHBondContact O-N 3.43Å; T404-L407 VanDerWaalsContact O-N 3.14Å; T404-L408 VanDerWaalsContact O-CG 3.29Å; T404-L408 WeakPolarHBondContact O-CG 3.05Å; T404-L408 PolarHBondContact O-N 3.21Å; T404-L442 HydrophobicContact CG2-CD2 4.32Å; T404-H455 PolarHBondContact OG1-NE2 3.27Å; T404-H455 VanDerWaalsContact OG1-NE2 3.07Å; T404-V456 HydrophobicContact CG2-CG2 4Å
405D93.8Very high88.1Confident88 Ų8835.9 Ų35.947%0.47122%0.217SC..Hα-helixtrans-64.8-36.2179.1-67.2-17.7000110.6S401 L408 A409S401-D405 WeakPolarHBondContact O-CB 3.49Å; S401-D405 PolarHBondContact O-N 3.45Å; D405-L408 PolarHBondContact O-N 3.46Å; D405-A409 WeakPolarHBondContact O-CB 2.98Å; D405-A409 PolarHBondContact O-N 3.06Å
406Y94.2Very high86.4Confident9 Ų941.2 Ų41.24%0.03523%0.233CC..Hα-helixtrans-59.2-47.6171.8178.4-89.1000111.9F356 T357 D360 R402 T404 H410 R432 G434 L435F356-Y406 HydrophobicContact CB-CD1 4.22Å; F356-Y406 HydrophobicContact CB-CD2 3.43Å; F356-Y406 VanDerWaalsContact CB-CD2 3.43Å; F356-Y406 HydrophobicContact CB-CE2 3.91Å; F356-Y406 HydrophobicContact CB-CG 3.59Å; F356-Y406 HydrophobicContact CG-CG 4.4Å; T357-Y406 HydrophobicContact CG2-CD2 3.87Å; T357-Y406 HydrophobicContact CG2-CE2 4.14Å; D360-Y406 VanDerWaalsContact CG-OH 3.25Å; D360-Y406 PolarHBondContact OD1-OH 3.27Å; D360-Y406 WeakPolarHBondContact OD2-CE2 3.29Å; D360-Y406 PolarHBondContact OD2-OH 3.29Å; R402-Y406 WeakPolarHBondContact O-CB 3.49Å; R402-Y406 PolarHBondContact O-N 3.4Å; T404-Y406 VanDerWaalsContact C-N 3.28Å; T404-Y406 PolarHBondContact O-N 3.5Å; Y406-H410 AromaticContact CD2-CE1 3.71Å; Y406-H410 AromaticContact CD2-ND1 3.64Å; Y406-H410 AromaticContact CE2-CE1 3.67Å; Y406-H410 AromaticContact CE2-ND1 3.68Å; Y406-H410 PolarHBondContact O-N 2.86Å; Y406-H410 PolarHBondContact O-ND1 2.86Å; Y406-R432 WeakPolarHBondContact OH-CB 3.44Å; Y406-G434 WeakPolarHBondContact OH-CA 3.4Å; Y406-L435 HydrophobicContact CE1-CB 4.09Å; Y406-L435 HydrophobicContact CE1-CD1 4.45Å; Y406-L435 PolarHBondContact OH-N 2.75Å
407L91.6Very high84.7Confident0 Ų040.6 Ų40.60%023%0.232CC..Hα-helixtrans-61.6-46176.2-64.8-179.1000110.8A403 T404 A411 F429 L435 L439 L442 C460 V464A403-L407 PolarHBondContact O-N 2.98Å; T404-L407 WeakPolarHBondContact O-CB 3.33Å; T404-L407 PolarHBondContact O-N 3.43Å; T404-L407 VanDerWaalsContact O-N 3.14Å; L407-A411 WeakPolarHBondContact O-CB 3.41Å; L407-A411 PolarHBondContact O-N 3.21Å; L407-F429 HydrophobicContact CD2-CZ 4.18Å; L407-L435 HydrophobicContact CD2-CD1 3.32Å; L407-L439 HydrophobicContact CD1-CD2 4.25Å; L407-L439 HydrophobicContact CD2-CD2 4.18Å; L407-L439 HydrophobicContact CD2-CG 4.42Å; L407-L442 HydrophobicContact CD1-CD1 3.55Å; L407-L442 HydrophobicContact CG-CD1 4.48Å; L407-C460 HydrophobicContact CD1-CB 4.23Å; L407-V464 HydrophobicContact CD1-CG2 4.45Å
408L89.1Confident82.6Confident37 Ų3741.1 Ų41.119%0.19424%0.242CC..Hα-helixtrans-66.3-38.8-177.8-68.9170.6000112.3T404 D405 R416 D459 I463T404-L408 VanDerWaalsContact O-CG 3.29Å; T404-L408 WeakPolarHBondContact O-CG 3.05Å; T404-L408 PolarHBondContact O-N 3.21Å; D405-L408 PolarHBondContact O-N 3.46Å; L408-R416 PolarHBondContact O-NH2 3.44Å; L408-D459 HydrophobicContact CD1-CB 4.04Å; L408-D459 HydrophobicContact CD2-CB 4.01Å; L408-I463 HydrophobicContact CD2-CD1 3.84Å
409A88.3Confident80.5Confident79 Ų7944.8 Ų44.865%0.65326%0.256SS*.Hα-helixtrans-70.8-34.3-17800000113D405D405-A409 WeakPolarHBondContact O-CB 2.98Å; D405-A409 PolarHBondContact O-N 3.06Å
410H86.8Confident78.5Confident50 Ų5050.3 Ų50.323%0.23129%0.289CS..Hα-helixtrans-104.9-16.6-173.1-61.590.9000114.2Y406 F429 R432Y406-H410 AromaticContact CD2-CE1 3.71Å; Y406-H410 AromaticContact CD2-ND1 3.64Å; Y406-H410 AromaticContact CE2-CE1 3.67Å; Y406-H410 AromaticContact CE2-ND1 3.68Å; Y406-H410 PolarHBondContact O-N 2.86Å; Y406-H410 PolarHBondContact O-ND1 2.86Å; H410-F429 HydrophobicContact CB-CD2 3.58Å; H410-F429 HydrophobicContact CB-CE2 3.59Å; H410-F429 WeakPolarHBondContact O-CD2 3.41Å; H410-R432 PolarHBondContact CD2-NH1 3.02Å; H410-R432 VanDerWaalsContact CD2-NH1 3.29Å
411A83.4Confident76.5Confident9 Ų952 Ų527%0.07430%0.298CS..SBendtrans-66.9130.5177.300000110.8L407 C415 F429 I463L407-A411 WeakPolarHBondContact O-CB 3.41Å; L407-A411 PolarHBondContact O-N 3.21Å; A411-C415 HydrophobicContact CB-CB 4.48Å; A411-F429 HydrophobicContact CB-CE1 4.07Å; A411-F429 HydrophobicContact CB-CZ 4.15Å; A411-I463 HydrophobicContact CB-CB 4.33Å; A411-I463 HydrophobicContact CB-CD1 3.53Å; A411-I463 HydrophobicContact CB-CG1 3.71Å; A411-I463 HydrophobicContact CB-CG2 3.66Å
412P76.6Confident74.6Confident11 Ų1157.2 Ų57.27%0.07132%0.322CS..  trans-62150.617923-31000111.2A414 C415 E425 L426P412-A414 PolarHBondContact O-N 3.06Å; P412-A414 VanDerWaalsContact O-N 3.07Å; P412-C415 WeakPolarHBondContact O-CB 3.42Å; P412-C415 PolarHBondContact O-N 2.89Å; P412-E425 HydrophobicContact CB-CB 3.91Å; P412-E425 WeakPolarHBondContact CB-OE2 3.4Å; P412-E425 HydrophobicContact CG-CB 4.48Å; P412-L426 HydrophobicContact CG-CB 4.49Å; P412-L426 HydrophobicContact CG-CD1 4.36Å
413A69.5Low73.1Confident62 Ų6255 Ų5551%0.51232%0.319SS..Hα-helixtrans-56.6-30.1-178.800000112.3C415 R416 Q417A413-C415 VanDerWaalsContact C-N 3.29Å; A413-C415 PolarHBondContact O-N 3.34Å; A413-R416 PolarHBondContact O-N 3.24Å; A413-R416 VanDerWaalsContact O-N 3.08Å; A413-Q417 PolarHBondContact O-N 2.93Å
414A64.4Low71.8Confident22 Ų2261.4 Ų61.418%0.18235%0.353CS..Hα-helixtrans-59.8-33.5174.800000113.6P412 R416 Q417 G418 L419P412-A414 PolarHBondContact O-N 3.06Å; P412-A414 VanDerWaalsContact O-N 3.07Å; A414-R416 PolarHBondContact O-N 3.34Å; A414-Q417 PolarHBondContact O-N 3.29Å; A414-G418 PolarHBondContact O-N 3.39Å; A414-L419 HydrophobicContact CB-CB 4.23Å; A414-L419 PolarHBondContact O-N 2.66Å
415C62.3Low71Confident6 Ų666.7 Ų66.74%0.04138%0.377CS..Hα-helixtrans-64.9-28.5175.5-72.50000112.4A411 P412 A413 P462 I463 R466A411-C415 HydrophobicContact CB-CB 4.48Å; P412-C415 WeakPolarHBondContact O-CB 3.42Å; P412-C415 PolarHBondContact O-N 2.89Å; A413-C415 VanDerWaalsContact C-N 3.29Å; A413-C415 PolarHBondContact O-N 3.34Å; C415-P462 WeakPolarHBondContact O-CB 3.43Å; C415-I463 HydrophobicContact CB-CG1 4.29Å; C415-R466 HydrophobicContact CB-CG 4.39Å
416R59Low70.1Confident151 Ų15163 Ų6357%0.5736%0.357SS*.Hα-helixtrans-83.1-24.6176.1-56.5-175-170.4178.32.4112.7L408 A413 A414L408-R416 PolarHBondContact O-NH2 3.44Å; A413-R416 PolarHBondContact O-N 3.24Å; A413-R416 VanDerWaalsContact O-N 3.08Å; A414-R416 PolarHBondContact O-N 3.34Å
417Q57.8Low69.4Low142 Ų14269 Ų6966%0.66439%0.386SS*.Hα-helixtrans-106.52.8-173.4-67.9-174.6-1.200114.6A413 A414 L419A413-Q417 PolarHBondContact O-N 2.93Å; A414-Q417 PolarHBondContact O-N 3.29Å; Q417-L419 VanDerWaalsContact C-N 3.3Å; Q417-L419 HydrophobicContact CB-CD1 4.03Å; Q417-L419 PolarHBondContact O-N 3.04Å
418G51.7Low69Low50 Ų5074.6 Ų74.652%0.51541%0.412SS..THydrogen-bonded Turntrans69.724.7176.900000114.2A414 R466A414-G418 PolarHBondContact O-N 3.39Å; G418-R466 VanDerWaalsContact CA-NH2 3.29Å; G418-R466 PolarHBondContact O-NH2 3.28Å
419L50.3Low68.8Low98 Ų9873 Ų7351%0.51340%0.403SS..  trans-94.8170.8179.1-70.8158.8000112A414 Q417 R466A414-L419 HydrophobicContact CB-CB 4.23Å; A414-L419 PolarHBondContact O-N 2.66Å; Q417-L419 VanDerWaalsContact C-N 3.3Å; Q417-L419 HydrophobicContact CB-CD1 4.03Å; Q417-L419 PolarHBondContact O-N 3.04Å; L419-R466 PolarHBondContact O-NH2 2.94Å
420T54.2Low68.7Low115 Ų11570.2 Ų70.271%0.70638%0.378SS*.  trans-56.2148.7-159.943.90000117.5
421L53.6Low68.7Low39 Ų3971.5 Ų71.520%0.20440%0.398CS..SBendtrans-79.4-13.2-172.6-95.4139.5000116.4S423 L426 S469 R532L421-S423 VanDerWaalsContact C-N 3.29Å; L421-S423 PolarHBondContact O-N 2.63Å; L421-L426 HydrophobicContact CD2-CD2 3.77Å; L421-S469 VanDerWaalsContact CD2-OG 3.3Å; L421-S469 WeakPolarHBondContact CD2-OG 3.44Å; L421-R532 VanDerWaalsContact CD1-CZ 3.45Å; L421-R532 VanDerWaalsContact CD1-NH2 3.3Å
422D54.5Low68.9Low157 Ų15774.2 Ų74.284%0.8441%0.406SS*.  trans-91.926.5-173.6-68.6-33.3000113.2
423S63.4Low69.4Low28 Ų2875.5 Ų75.520%0.19641%0.414CS..  trans-81.6132.9177.766.20000111.2L421 E425 L426 Q427L421-S423 VanDerWaalsContact C-N 3.29Å; L421-S423 PolarHBondContact O-N 2.63Å; S423-E425 PolarHBondContact O-N 3.38Å; S423-E425 VanDerWaalsContact O-N 3.11Å; S423-L426 PolarHBondContact O-N 3.42Å; S423-L426 PolarHBondContact OG-N 3.25Å; S423-Q427 PolarHBondContact O-N 2.92Å
424D69.3Low70.4Confident134 Ų13472.5 Ų72.572%0.71739%0.39SS*.Hα-helixtrans-52-31168.1-64.6-34.2000110.9L426 Q427 E428D424-L426 PolarHBondContact O-N 3.08Å; D424-Q427 PolarHBondContact O-N 3.3Å; D424-E428 PolarHBondContact O-N 3.49Å
425E77.1Confident71.8Confident113 Ų11371.5 Ų71.553%0.52838%0.381SS..Hα-helixtrans-61.3-40174.7-56.2-179.9173.100113.5P412 S423 E428 F429P412-E425 HydrophobicContact CB-CB 3.91Å; P412-E425 WeakPolarHBondContact CB-OE2 3.4Å; P412-E425 HydrophobicContact CG-CB 4.48Å; S423-E425 PolarHBondContact O-N 3.38Å; S423-E425 VanDerWaalsContact O-N 3.11Å; E425-E428 PolarHBondContact O-N 3.36Å; E425-F429 PolarHBondContact O-N 3.07Å
426L75.9Confident73.2Confident11 Ų1173.5 Ų73.56%0.05839%0.388CS..Hα-helixtrans-70.7-37.9178.4-17863.6000110.5P412 L421 S423 D424 E428 F429 V430 L467 V470P412-L426 HydrophobicContact CG-CB 4.49Å; P412-L426 HydrophobicContact CG-CD1 4.36Å; L421-L426 HydrophobicContact CD2-CD2 3.77Å; S423-L426 PolarHBondContact O-N 3.42Å; S423-L426 PolarHBondContact OG-N 3.25Å; D424-L426 PolarHBondContact O-N 3.08Å; L426-E428 VanDerWaalsContact C-N 3.35Å; L426-F429 HydrophobicContact CD1-CD1 4.3Å; L426-F429 PolarHBondContact O-N 3.21Å; L426-V430 HydrophobicContact CD1-CG2 4.28Å; L426-V430 HydrophobicContact CG-CG2 4.34Å; L426-V430 WeakPolarHBondContact O-CB 3.42Å; L426-V430 WeakPolarHBondContact O-CG2 3.39Å; L426-V430 PolarHBondContact O-N 3.25Å; L426-L467 HydrophobicContact CD1-CD2 4.39Å; L426-V470 HydrophobicContact CD2-CG2 4.23Å
427Q78.5Confident74.9Confident136 Ų13666.6 Ų66.664%0.63636%0.362SS*.Hα-helixtrans-64.7-40.4174.4-65.9-169.6-1.200111.5S423 D424 V430 A431S423-Q427 PolarHBondContact O-N 2.92Å; D424-Q427 PolarHBondContact O-N 3.3Å; Q427-V430 PolarHBondContact O-N 3.46Å; Q427-A431 VanDerWaalsContact O-CB 3.25Å; Q427-A431 WeakPolarHBondContact O-CB 3.38Å; Q427-A431 PolarHBondContact O-N 2.72Å
428E82.9Confident76.7Confident116 Ų11659.9 Ų59.954%0.54233%0.33SS..Hα-helixtrans-60.7-45.5173.7-166.2-164.7141.800111.1D424 E425 L426 V430 A431 R432D424-E428 PolarHBondContact O-N 3.49Å; E425-E428 PolarHBondContact O-N 3.36Å; L426-E428 VanDerWaalsContact C-N 3.35Å; E428-V430 PolarHBondContact O-N 2.61Å; E428-A431 PolarHBondContact O-N 2.89Å; E428-R432 WeakPolarHBondContact O-CG 3.36Å; E428-R432 PolarHBondContact O-N 3.17Å; E428-R432 IonicContact OE1-CZ 3.87Å; E428-R432 IonicContact OE1-NH2 2.84Å; E428-R432 PolarHBondContact OE1-NH2 2.99Å
429F86.3Confident78.7Confident3 Ų357.5 Ų57.51%0.01331%0.306CS..Hα-helixtrans-62.5-43176.9178-132.7000112.5L407 H410 A411 E425 L426 A431 R432 L435 I463 L467L407-F429 HydrophobicContact CD2-CZ 4.18Å; H410-F429 HydrophobicContact CB-CD2 3.58Å; H410-F429 HydrophobicContact CB-CE2 3.59Å; H410-F429 WeakPolarHBondContact O-CD2 3.41Å; A411-F429 HydrophobicContact CB-CE1 4.07Å; A411-F429 HydrophobicContact CB-CZ 4.15Å; E425-F429 PolarHBondContact O-N 3.07Å; L426-F429 HydrophobicContact CD1-CD1 4.3Å; L426-F429 PolarHBondContact O-N 3.21Å; F429-A431 VanDerWaalsContact C-N 3.3Å; F429-A431 PolarHBondContact O-N 3.19Å; F429-R432 WeakPolarHBondContact O-CB 3.37Å; F429-R432 PolarHBondContact O-N 3Å; F429-L435 HydrophobicContact CD1-CD2 4.26Å; F429-L435 HydrophobicContact CD2-CD2 4.34Å; F429-L435 HydrophobicContact CE1-CD1 4.21Å; F429-L435 HydrophobicContact CE1-CD2 4.06Å; F429-L435 HydrophobicContact CE2-CD1 3.84Å; F429-L435 HydrophobicContact CE2-CD2 4.12Å; F429-L435 HydrophobicContact CE2-CG 4.44Å; F429-L435 HydrophobicContact CG-CD2 4.41Å; F429-L435 HydrophobicContact CZ-CD1 3.5Å; F429-L435 HydrophobicContact CZ-CD2 3.99Å; F429-L435 HydrophobicContact CZ-CG 4.35Å; F429-L435 WeakPolarHBondContact O-CD2 3.49Å; F429-I463 HydrophobicContact CE1-CG2 3.98Å; F429-I463 HydrophobicContact CZ-CG2 4.25Å; F429-L467 HydrophobicContact CD1-CD2 4.1Å; F429-L467 HydrophobicContact CE1-CD1 3.91Å; F429-L467 HydrophobicContact CE1-CD2 3.91Å; F429-L467 HydrophobicContact CE1-CG 4.28Å; F429-L467 HydrophobicContact CZ-CD1 4.39Å
430V85.9Confident80.9Confident22 Ų2254.8 Ų54.813%0.13329%0.29CS..Hα-helixtrans-68.8-29.9178.8169.90000112.1L426 Q427 E428 R432 L467 V470 I476L426-V430 HydrophobicContact CD1-CG2 4.28Å; L426-V430 HydrophobicContact CG-CG2 4.34Å; L426-V430 WeakPolarHBondContact O-CB 3.42Å; L426-V430 WeakPolarHBondContact O-CG2 3.39Å; L426-V430 PolarHBondContact O-N 3.25Å; Q427-V430 PolarHBondContact O-N 3.46Å; E428-V430 PolarHBondContact O-N 2.61Å; V430-R432 PolarHBondContact O-N 3.04Å; V430-L467 HydrophobicContact CG2-CD2 3.93Å; V430-V470 HydrophobicContact CB-CG1 4.33Å; V430-V470 HydrophobicContact CG1-CG1 3.67Å; V430-V470 HydrophobicContact CG2-CB 4.43Å; V430-V470 HydrophobicContact CG2-CG1 3.71Å; V430-V470 HydrophobicContact CG2-CG2 4.15Å; V430-I476 HydrophobicContact CG1-CD1 3.8Å; V430-I476 WeakPolarHBondContact O-CD1 3.05Å
431A85.8Confident82.9Confident77 Ų7749.3 Ų49.364%0.63626%0.256SS*.Hα-helixtrans-74.2-12.2178.200000113.4Q427 E428 F429 P433Q427-A431 VanDerWaalsContact O-CB 3.25Å; Q427-A431 WeakPolarHBondContact O-CB 3.38Å; Q427-A431 PolarHBondContact O-N 2.72Å; E428-A431 PolarHBondContact O-N 2.89Å; F429-A431 VanDerWaalsContact C-N 3.3Å; F429-A431 PolarHBondContact O-N 3.19Å; A431-P433 WeakPolarHBondContact O-CD 3.37Å
432R88.5Confident84.9Confident65 Ų6547.4 Ų47.425%0.24525%0.247CC..  trans-71.7118.8179.9-74.7173.9-179.3-88-6.9111.7D360 Y406 H410 E428 F429 V430 G434 L435D360-R432 WeakPolarHBondContact OD1-CB 3.05Å; D360-R432 IonicContact OD2-NH1 3.2Å; D360-R432 PolarHBondContact OD2-NH1 3.2Å; Y406-R432 WeakPolarHBondContact OH-CB 3.44Å; H410-R432 PolarHBondContact CD2-NH1 3.02Å; H410-R432 VanDerWaalsContact CD2-NH1 3.29Å; E428-R432 WeakPolarHBondContact O-CG 3.36Å; E428-R432 PolarHBondContact O-N 3.17Å; E428-R432 IonicContact OE1-CZ 3.87Å; E428-R432 IonicContact OE1-NH2 2.84Å; E428-R432 PolarHBondContact OE1-NH2 2.99Å; F429-R432 WeakPolarHBondContact O-CB 3.37Å; F429-R432 PolarHBondContact O-N 3Å; V430-R432 PolarHBondContact O-N 3.04Å; R432-G434 VanDerWaalsContact C-N 3.26Å; R432-G434 PolarHBondContact O-N 3.18Å; R432-L435 WeakPolarHBondContact O-CB 3.32Å; R432-L435 PolarHBondContact O-N 3.13Å
433P87.4Confident86.8Confident38 Ų3840.4 Ų40.425%0.24721%0.209CC..Hα-helixtrans-58.2-33.4179.6-24.632.7000114.5Y359 D360 A431 L435 R436 F437Y359-P433 WeakPolarHBondContact O-CB 3.06Å; D360-P433 WeakPolarHBondContact OD1-CD 3.3Å; A431-P433 WeakPolarHBondContact O-CD 3.37Å; P433-L435 PolarHBondContact O-N 3.27Å; P433-R436 PolarHBondContact O-N 3.37Å; P433-F437 WeakPolarHBondContact O-CD2 3.41Å
434G90.3Very high88.3Confident0 Ų040.7 Ų40.70%021%0.207CC..Hα-helixtrans-63.5-27.3-179.900000113.9F356 D360 Y406 R432 R436 F437 S438F356-G434 WeakPolarHBondContact O-CA 3.4Å; D360-G434 WeakPolarHBondContact OD1-CA 3.41Å; D360-G434 PolarHBondContact OD1-N 3.44Å; Y406-G434 WeakPolarHBondContact OH-CA 3.4Å; R432-G434 VanDerWaalsContact C-N 3.26Å; R432-G434 PolarHBondContact O-N 3.18Å; G434-R436 VanDerWaalsContact C-N 3.32Å; G434-R436 PolarHBondContact O-N 2.95Å; G434-F437 PolarHBondContact O-N 3.42Å; G434-S438 PolarHBondContact O-N 2.9Å
435L93.2Very high89.6Confident0 Ų034.3 Ų34.30%017%0.173CC..Hα-helixtrans-60-42179.8178.957.5000112.3Y406 L407 F429 R432 P433 F437 S438 L439 L467 I476Y406-L435 HydrophobicContact CE1-CB 4.09Å; Y406-L435 HydrophobicContact CE1-CD1 4.45Å; Y406-L435 PolarHBondContact OH-N 2.75Å; L407-L435 HydrophobicContact CD2-CD1 3.32Å; F429-L435 HydrophobicContact CD1-CD2 4.26Å; F429-L435 HydrophobicContact CD2-CD2 4.34Å; F429-L435 HydrophobicContact CE1-CD1 4.21Å; F429-L435 HydrophobicContact CE1-CD2 4.06Å; F429-L435 HydrophobicContact CE2-CD1 3.84Å; F429-L435 HydrophobicContact CE2-CD2 4.12Å; F429-L435 HydrophobicContact CE2-CG 4.44Å; F429-L435 HydrophobicContact CG-CD2 4.41Å; F429-L435 HydrophobicContact CZ-CD1 3.5Å; F429-L435 HydrophobicContact CZ-CD2 3.99Å; F429-L435 HydrophobicContact CZ-CG 4.35Å; F429-L435 WeakPolarHBondContact O-CD2 3.49Å; R432-L435 WeakPolarHBondContact O-CB 3.32Å; R432-L435 PolarHBondContact O-N 3.13Å; P433-L435 PolarHBondContact O-N 3.27Å; L435-F437 VanDerWaalsContact C-N 3.35Å; L435-F437 PolarHBondContact O-N 3.48Å; L435-S438 PolarHBondContact O-N 2.88Å; L435-L439 HydrophobicContact CD1-CD1 3.92Å; L435-L439 HydrophobicContact CD1-CG 4Å; L435-L439 HydrophobicContact CG-CD1 4.06Å; L435-L439 WeakPolarHBondContact O-CB 3.43Å; L435-L439 WeakPolarHBondContact O-CG 3.29Å; L435-L439 PolarHBondContact O-N 3.25Å; L435-L467 HydrophobicContact CD1-CD1 3.99Å; L435-L467 HydrophobicContact CD2-CD1 4.22Å; L435-L467 HydrophobicContact CD2-CD2 4.16Å; L435-I476 HydrophobicContact CD2-CD1 4.11Å; L435-I476 HydrophobicContact CD2-CG2 4.1Å; L435-I476 HydrophobicContact CG-CG2 4.49Å
436R92.5Very high90.3Very high49 Ų4928.9 Ų28.919%0.18515%0.148CC..Hα-helixtrans-59.9-47177.6176.2172.4178.1-87.34.4111.3E372 P433 G434 K440 E474 L479E372-R436 IonicContact OE1-CZ 3.79Å; E372-R436 IonicContact OE1-NH1 3.08Å; E372-R436 PolarHBondContact OE1-NH1 3.23Å; E372-R436 IonicContact OE1-NH2 2.88Å; E372-R436 PolarHBondContact OE1-NH2 3.38Å; E372-R436 IonicContact OE2-NH1 2.8Å; E372-R436 IonicContact OE2-NH2 2.96Å; P433-R436 PolarHBondContact O-N 3.37Å; G434-R436 VanDerWaalsContact C-N 3.32Å; G434-R436 PolarHBondContact O-N 2.95Å; R436-K440 WeakPolarHBondContact O-CB 3.01Å; R436-K440 PolarHBondContact O-N 2.73Å; R436-E474 WeakPolarHBondContact CD-OE2 3.07Å; R436-E474 IonicContact NE-OE2 3.01Å; R436-E474 PolarHBondContact NE-OE2 3.48Å; R436-L479 HydrophobicContact CG-CD1 3.96Å
437F94Very high91Very high6 Ų633.2 Ų33.23%0.02616%0.163CC..Hα-helixtrans-69.5-39.5-178.7-61.8-62.9000112F356 Y359 R368 E372 P433 G434 L435 F441F356-F437 HydrophobicContact CD1-CB 3.95Å; F356-F437 HydrophobicContact CE1-CB 4.08Å; Y359-F437 HydrophobicContact CD1-CD2 4Å; Y359-F437 HydrophobicContact CD1-CE2 4.02Å; Y359-F437 HydrophobicContact CD2-CB 4.18Å; Y359-F437 AromaticContact CD2-CD2 3.69Å; Y359-F437 HydrophobicContact CD2-CD2 3.69Å; Y359-F437 HydrophobicContact CD2-CE2 4.49Å; Y359-F437 HydrophobicContact CD2-CG 4.23Å; Y359-F437 HydrophobicContact CE1-CD2 4.46Å; Y359-F437 HydrophobicContact CE2-CB 4.15Å; Y359-F437 HydrophobicContact CE2-CD2 4.15Å; Y359-F437 HydrophobicContact CE2-CG 4.3Å; Y359-F437 AromaticContact CG-CD2 3.63Å; Y359-F437 HydrophobicContact CG-CD2 3.63Å; Y359-F437 HydrophobicContact CG-CE2 4.02Å; R368-F437 HydrophobicContact CB-CZ 4.16Å; R368-F437 HydrophobicContact CG-CE2 4.43Å; R368-F437 HydrophobicContact CG-CZ 4.48Å; R368-F437 WeakPolarHBondContact O-CZ 3.38Å; E372-F437 HydrophobicContact CG-CE1 3.92Å; P433-F437 WeakPolarHBondContact O-CD2 3.41Å; G434-F437 PolarHBondContact O-N 3.42Å; L435-F437 VanDerWaalsContact C-N 3.35Å; L435-F437 PolarHBondContact O-N 3.48Å; F437-F441 WeakPolarHBondContact O-CB 3.16Å; F437-F441 PolarHBondContact O-N 2.76Å
438S95.1Very high91.2Very high0 Ų028.9 Ų28.90%016%0.155CC..Hα-helixtrans-59.9-51.5174.2172.50000110.9A403 G434 L435 K440 F441 L442A403-S438 PolarHBondContact O-OG 3.39Å; G434-S438 PolarHBondContact O-N 2.9Å; L435-S438 PolarHBondContact O-N 2.88Å; S438-K440 PolarHBondContact O-N 3.49Å; S438-F441 PolarHBondContact O-N 2.97Å; S438-L442 WeakPolarHBondContact O-CB 3.16Å; S438-L442 VanDerWaalsContact O-CG 3.27Å; S438-L442 WeakPolarHBondContact O-CG 3.32Å; S438-L442 PolarHBondContact O-N 3.04Å
439L94.7Very high91.5Very high0 Ų023.5 Ų23.50%013%0.13CC..Hα-helixtrans-64.2-44.1179.1-70.3172.2000112.7L407 L435 L442 N443 V464 L467 I476 L479 L483L407-L439 HydrophobicContact CD1-CD2 4.25Å; L407-L439 HydrophobicContact CD2-CD2 4.18Å; L407-L439 HydrophobicContact CD2-CG 4.42Å; L435-L439 HydrophobicContact CD1-CD1 3.92Å; L435-L439 HydrophobicContact CD1-CG 4Å; L435-L439 HydrophobicContact CG-CD1 4.06Å; L435-L439 WeakPolarHBondContact O-CB 3.43Å; L435-L439 WeakPolarHBondContact O-CG 3.29Å; L435-L439 PolarHBondContact O-N 3.25Å; L439-L442 PolarHBondContact O-N 3Å; L439-N443 PolarHBondContact O-N 3.24Å; L439-N443 PolarHBondContact O-ND2 2.69Å; L439-V464 HydrophobicContact CD2-CG2 4.34Å; L439-L467 HydrophobicContact CD1-CD1 3.98Å; L439-L467 HydrophobicContact CD2-CD1 4.39Å; L439-I476 HydrophobicContact CD1-CG2 3.76Å; L439-L479 HydrophobicContact CB-CB 4.1Å; L439-L479 HydrophobicContact CB-CD1 4.41Å; L439-L479 HydrophobicContact CD1-CB 4.47Å; L439-L483 HydrophobicContact CD2-CD2 4.29Å
440K95.1Very high91.4Very high41 Ų4127.6 Ų27.618%0.17815%0.149CC..Hα-helixtrans-62.2-44.5178.4-171.2176.8177.6177.40110.6E372 C375 R436 S438 L442 N443 E444 L479E372-K440 IonicContact OE2-NZ 3.96Å; E372-K440 PolarHBondContact OE2-NZ 3.49Å; C375-K440 HydrophobicContact CB-CD 3.8Å; C375-K440 HydrophobicContact CB-CG 3.89Å; R436-K440 WeakPolarHBondContact O-CB 3.01Å; R436-K440 PolarHBondContact O-N 2.73Å; S438-K440 PolarHBondContact O-N 3.49Å; K440-L442 PolarHBondContact O-N 2.66Å; K440-N443 WeakPolarHBondContact O-CB 3.39Å; K440-N443 PolarHBondContact O-N 3.29Å; K440-E444 WeakPolarHBondContact O-CG 3.4Å; K440-E444 PolarHBondContact O-N 3.48Å; K440-L479 HydrophobicContact CB-CD1 4.31Å; K440-L479 HydrophobicContact CB-CD2 4.27Å; K440-L479 HydrophobicContact CG-CD2 4.4Å
441F96.5Very high91.4Very high0 Ų028.9 Ų28.90%016%0.163CC..Hα-helixtrans-62.2-42.7175.9-177-97.6000112.3F356 M374 M378 F394 Y399 A403 F437 S438 N443 E444 L445F356-F441 HydrophobicContact CE1-CB 4.33Å; F356-F441 HydrophobicContact CZ-CB 4.17Å; F356-F441 HydrophobicContact CZ-CD1 4.16Å; F356-F441 HydrophobicContact CZ-CG 4.22Å; M374-F441 HydrophobicContact CE-CD2 3.8Å; M374-F441 HydrophobicContact CE-CE2 4.32Å; M374-F441 HydrophobicContact CE-CG 4.27Å; M374-F441 HydrophobicContact CG-CD2 4.07Å; M374-F441 HydrophobicContact CG-CE2 4.02Å; M374-F441 HydrophobicContact SD-CD2 4.06Å; M374-F441 HydrophobicContact SD-CE2 3.97Å; M378-F441 HydrophobicContact CG-CD2 4.1Å; M378-F441 HydrophobicContact CG-CE2 3.64Å; F394-F441 HydrophobicContact CD1-CE2 4.43Å; F394-F441 HydrophobicContact CD1-CZ 4.09Å; Y399-F441 HydrophobicContact CD1-CE1 4.45Å; Y399-F441 HydrophobicContact CD1-CE2 4.23Å; Y399-F441 AromaticContact CD1-CZ 3.75Å; Y399-F441 HydrophobicContact CD1-CZ 3.75Å; Y399-F441 HydrophobicContact CG-CZ 4.15Å; A403-F441 HydrophobicContact CB-CD1 4.15Å; F437-F441 WeakPolarHBondContact O-CB 3.16Å; F437-F441 PolarHBondContact O-N 2.76Å; S438-F441 PolarHBondContact O-N 2.97Å; F441-N443 PolarHBondContact O-N 3.44Å; F441-E444 PolarHBondContact O-N 2.61Å; F441-L445 HydrophobicContact CE1-CB 4.35Å; F441-L445 HydrophobicContact CE1-CD2 3.82Å; F441-L445 HydrophobicContact CZ-CD2 4.32Å; F441-L445 WeakPolarHBondContact O-CB 3.08Å; F441-L445 PolarHBondContact O-N 3.39Å
442L96.4Very high91.6Very high0 Ų025.2 Ų25.20%013%0.132CC..Hα-helixtrans-62.8-39.4175.9-71.4177.6000112.3L400 A403 T404 L407 S438 L439 K440 E444 L445 C446 V456 L483L400-L442 HydrophobicContact CD1-CD2 3.87Å; A403-L442 HydrophobicContact CB-CD1 4.43Å; A403-L442 HydrophobicContact CB-CD2 3.65Å; A403-L442 HydrophobicContact CB-CG 3.91Å; T404-L442 HydrophobicContact CG2-CD2 4.32Å; L407-L442 HydrophobicContact CD1-CD1 3.55Å; L407-L442 HydrophobicContact CG-CD1 4.48Å; S438-L442 WeakPolarHBondContact O-CB 3.16Å; S438-L442 VanDerWaalsContact O-CG 3.27Å; S438-L442 WeakPolarHBondContact O-CG 3.32Å; S438-L442 PolarHBondContact O-N 3.04Å; L439-L442 PolarHBondContact O-N 3Å; K440-L442 PolarHBondContact O-N 2.66Å; L442-E444 PolarHBondContact O-N 2.88Å; L442-L445 PolarHBondContact O-N 3.43Å; L442-C446 WeakPolarHBondContact O-CB 3.36Å; L442-C446 PolarHBondContact O-N 2.57Å; L442-C446 PolarHBondContact O-SG 3.26Å; L442-V456 HydrophobicContact CD1-CG2 4.45Å; L442-V456 HydrophobicContact CD2-CG2 3.73Å; L442-L483 HydrophobicContact CB-CD1 4.21Å; L442-L483 HydrophobicContact CB-CD2 3.99Å; L442-L483 HydrophobicContact CD1-CD2 4.26Å
443N94.6Very high91.5Very high10 Ų1022.3 Ų22.35%0.05312%0.121CC..Hα-helixtrans-55.1-52.9172.5-85.2-84.5000110.7L439 K440 F441 L445 R447 L479 L483 I486L439-N443 PolarHBondContact O-N 3.24Å; L439-N443 PolarHBondContact O-ND2 2.69Å; K440-N443 WeakPolarHBondContact O-CB 3.39Å; K440-N443 PolarHBondContact O-N 3.29Å; F441-N443 PolarHBondContact O-N 3.44Å; N443-L445 PolarHBondContact O-N 3.31Å; N443-R447 PolarHBondContact O-N 3.15Å; N443-L479 PolarHBondContact ND2-O 3.21Å; N443-L479 PolarHBondContact OD1-O 2.94Å; N443-L483 VanDerWaalsContact OD1-CA 3.29Å; N443-L483 WeakPolarHBondContact OD1-CA 3.35Å; N443-L483 PolarHBondContact OD1-N 3.29Å; N443-I486 HydrophobicContact CB-CD1 4.07Å; N443-I486 WeakPolarHBondContact O-CD1 3.24Å; N443-I486 WeakPolarHBondContact OD1-CD1 3.25Å
444E95.2Very high91.3Very high33 Ų3322.8 Ų22.815%0.15412%0.121CC..Hα-helixtrans-67.7-39.5-177-56.7-46.4143.800112.7M378 S379 K391 K440 F441 L442M378-E444 HydrophobicContact CB-CB 3.78Å; M378-E444 HydrophobicContact CB-CG 4.48Å; S379-E444 WeakPolarHBondContact CA-OE2 3.49Å; S379-E444 WeakPolarHBondContact CB-OE2 3.26Å; K391-E444 PolarHBondContact NZ-O 3.46Å; K440-E444 WeakPolarHBondContact O-CG 3.4Å; K440-E444 PolarHBondContact O-N 3.48Å; F441-E444 PolarHBondContact O-N 2.61Å; L442-E444 PolarHBondContact O-N 2.88Å
445L95Very high91Very high0 Ų025.7 Ų25.70%014%0.135CC..Hα-helixtrans-71-38.1179.9-170.768000112.3M378 K391 F394 V395 L400 F441 L442 N443 H449M378-L445 HydrophobicContact CE-CD1 3.8Å; K391-L445 HydrophobicContact CB-CD1 3.88Å; K391-L445 WeakPolarHBondContact CD-O 3.04Å; K391-L445 HydrophobicContact CG-CD1 3.99Å; F394-L445 HydrophobicContact CB-CD1 4.13Å; V395-L445 HydrophobicContact CG2-CD2 4.3Å; L400-L445 HydrophobicContact CB-CD2 3.82Å; L400-L445 HydrophobicContact CD1-CD2 4Å; L400-L445 HydrophobicContact CG-CD2 4.41Å; F441-L445 HydrophobicContact CE1-CB 4.35Å; F441-L445 HydrophobicContact CE1-CD2 3.82Å; F441-L445 HydrophobicContact CZ-CD2 4.32Å; F441-L445 WeakPolarHBondContact O-CB 3.08Å; F441-L445 PolarHBondContact O-N 3.39Å; L442-L445 PolarHBondContact O-N 3.43Å; N443-L445 PolarHBondContact O-N 3.31Å; L445-H449 WeakPolarHBondContact O-CB 3.36Å
446C91.8Very high90.7Very high0 Ų025.7 Ų25.70%014%0.135CC..Hα-helixtrans-75.7-24.5-178.7-73.30000113.6L442 G448 H449 Q453 V456 L483 I486L442-C446 WeakPolarHBondContact O-CB 3.36Å; L442-C446 PolarHBondContact O-N 2.57Å; L442-C446 PolarHBondContact O-SG 3.26Å; C446-G448 PolarHBondContact O-N 3.27Å; C446-G448 VanDerWaalsContact O-N 3.09Å; C446-H449 PolarHBondContact O-N 3.42Å; C446-Q453 HydrophobicContact CB-CG 3.97Å; C446-Q453 VanDerWaalsContact O-CD 3.31Å; C446-Q453 VanDerWaalsContact O-CG 3.22Å; C446-Q453 WeakPolarHBondContact O-CG 3.31Å; C446-Q453 PolarHBondContact O-NE2 2.96Å; C446-V456 VanDerWaalsContact SG-CG2 3.58Å; C446-L483 HydrophobicContact CB-CD1 4.13Å; C446-I486 VanDerWaalsContact C-CG2 3.44Å; C446-I486 HydrophobicContact CB-CG2 3.65Å
447R90.3Very high90.1Very high101 Ų10123.4 Ų23.438%0.38113%0.127SC..THydrogen-bonded Turntrans-56.3115.7-176.1-169.8-178-66.8-81.43.9111.6T383 K391 N443 H449 I486T383-R447 HydrophobicContact CG2-CG 4.04Å; K391-R447 PolarHBondContact NZ-O 3.34Å; N443-R447 PolarHBondContact O-N 3.15Å; R447-H449 PolarHBondContact O-N 2.66Å; R447-I486 HydrophobicContact CB-CD1 4.46Å; R447-I486 HydrophobicContact CB-CG2 4.39Å
448G84.3Confident89.3Confident45 Ų4525.6 Ų25.646%0.46414%0.141SC..THydrogen-bonded Turntrans59.422-177.100000115.7C446C446-G448 PolarHBondContact O-N 3.27Å; C446-G448 VanDerWaalsContact O-N 3.09Å
449H89Confident88.4Confident3 Ų329.8 Ų29.81%0.01416%0.163CC..  trans-125.997.8-179.2-172.4-134.3000112.5C388 K391 N392 L445 C446 R447 A451 S452 Q453C388-H449 VanDerWaalsContact SG-CD2 3.57Å; K391-H449 HydrophobicContact CD-CB 3.74Å; N392-H449 PolarHBondContact OD1-NE2 3.3Å; L445-H449 WeakPolarHBondContact O-CB 3.36Å; C446-H449 PolarHBondContact O-N 3.42Å; R447-H449 PolarHBondContact O-N 2.66Å; H449-A451 PolarHBondContact O-N 3.11Å; H449-S452 PolarHBondContact CE1-OG 2.97Å; H449-S452 WeakPolarHBondContact ND1-CB 3.49Å; H449-S452 PolarHBondContact ND1-OG 3Å; H449-S452 PolarHBondContact O-N 3.29Å; H449-Q453 WeakPolarHBondContact O-CG 3.33Å; H449-Q453 PolarHBondContact O-N 3.27Å; H449-Q453 PolarHBondContact O-OE1 2.95Å
450E83.9Confident87.9Confident89 Ų8929.8 Ų29.842%0.41616%0.163SC..Hα-helixtrans-56.1-44.4-173.5172164.5-164.900114.1S452 Q453 L454 N490 V492E450-S452 PolarHBondContact O-N 2.86Å; E450-Q453 VanDerWaalsContact CA-OE1 3.28Å; E450-Q453 PolarHBondContact O-N 3.46Å; E450-L454 HydrophobicContact CG-CD1 3.68Å; E450-L454 HydrophobicContact CG-CG 4.29Å; E450-L454 WeakPolarHBondContact O-CB 3.23Å; E450-L454 WeakPolarHBondContact O-CG 3.32Å; E450-L454 PolarHBondContact O-N 2.86Å; E450-N490 VanDerWaalsContact CA-ND2 3.34Å; E450-N490 WeakPolarHBondContact CA-ND2 3.2Å; E450-N490 WeakPolarHBondContact CB-ND2 3.5Å; E450-N490 WeakPolarHBondContact CG-ND2 3.27Å; E450-V492 WeakPolarHBondContact OE1-CB 3.39Å; E450-V492 WeakPolarHBondContact OE1-CG2 3.5Å
451A85.8Confident87.2Confident50 Ų5028 Ų2841%0.41316%0.155SC..Hα-helixtrans-62.1-43.1-178.300000112H449 H455H449-A451 PolarHBondContact O-N 3.11Å; A451-H455 PolarHBondContact O-N 3.38Å; A451-H455 VanDerWaalsContact O-N 3.16Å
452S89.8Confident86.3Confident0 Ų029.8 Ų29.80%017%0.167CC..Hα-helixtrans-68.7-41.3175.8-68.90000112.1V395 H449 E450 L454 H455 V456V395-S452 WeakPolarHBondContact CG2-OG 3.2Å; H449-S452 PolarHBondContact CE1-OG 2.97Å; H449-S452 WeakPolarHBondContact ND1-CB 3.49Å; H449-S452 PolarHBondContact ND1-OG 3Å; H449-S452 PolarHBondContact O-N 3.29Å; E450-S452 PolarHBondContact O-N 2.86Å; S452-L454 PolarHBondContact O-N 2.85Å; S452-H455 PolarHBondContact O-N 2.99Å; S452-V456 WeakPolarHBondContact O-CG2 3.38Å; S452-V456 PolarHBondContact O-N 2.93Å
453Q87.4Confident85.8Confident4 Ų429.8 Ų29.82%0.01917%0.167CC..Hα-helixtrans-58.9-47.2176.8-69.9163.4-35.300111C446 H449 E450 H455 A457 I486 L487 N490C446-Q453 HydrophobicContact CB-CG 3.97Å; C446-Q453 VanDerWaalsContact O-CD 3.31Å; C446-Q453 VanDerWaalsContact O-CG 3.22Å; C446-Q453 WeakPolarHBondContact O-CG 3.31Å; C446-Q453 PolarHBondContact O-NE2 2.96Å; H449-Q453 WeakPolarHBondContact O-CG 3.33Å; H449-Q453 PolarHBondContact O-N 3.27Å; H449-Q453 PolarHBondContact O-OE1 2.95Å; E450-Q453 VanDerWaalsContact CA-OE1 3.28Å; E450-Q453 PolarHBondContact O-N 3.46Å; Q453-H455 PolarHBondContact O-N 3Å; Q453-A457 WeakPolarHBondContact O-CB 3.24Å; Q453-A457 PolarHBondContact O-N 3.07Å; Q453-I486 PolarHBondContact NE2-O 3.14Å; Q453-L487 HydrophobicContact CB-CD2 3.82Å; Q453-L487 HydrophobicContact CG-CD2 4.05Å; Q453-L487 WeakPolarHBondContact O-CD2 3.41Å; Q453-N490 PolarHBondContact OE1-ND2 3.25Å
454L82.5Confident85.3Confident47 Ų4729.3 Ų29.325%0.24617%0.165CC..Hα-helixtrans-62-40.9178.1-73.7166.7000112.7E450 S452 T458 V493E450-L454 HydrophobicContact CG-CD1 3.68Å; E450-L454 HydrophobicContact CG-CG 4.29Å; E450-L454 WeakPolarHBondContact O-CB 3.23Å; E450-L454 WeakPolarHBondContact O-CG 3.32Å; E450-L454 PolarHBondContact O-N 2.86Å; S452-L454 PolarHBondContact O-N 2.85Å; L454-T458 PolarHBondContact O-N 3.49Å; L454-T458 VanDerWaalsContact O-N 3.14Å; L454-T458 PolarHBondContact O-OG1 3.38Å; L454-V493 HydrophobicContact CD2-CG2 4.01Å; L454-V493 HydrophobicContact CG-CG2 4.5Å
455H84.8Confident84.6Confident62 Ų6228.6 Ų28.629%0.28716%0.161SC..Hα-helixtrans-65.6-52.2178.8-177.685.9000111.9L400 T404 A451 S452 Q453 A457 T458L400-H455 HydrophobicContact CD2-CB 3.74Å; L400-H455 HydrophobicContact CG-CB 4.43Å; T404-H455 PolarHBondContact OG1-NE2 3.27Å; T404-H455 VanDerWaalsContact OG1-NE2 3.07Å; A451-H455 PolarHBondContact O-N 3.38Å; A451-H455 VanDerWaalsContact O-N 3.16Å; S452-H455 PolarHBondContact O-N 2.99Å; Q453-H455 PolarHBondContact O-N 3Å; H455-A457 VanDerWaalsContact C-N 3.26Å; H455-A457 PolarHBondContact O-N 2.81Å; H455-T458 WeakPolarHBondContact O-CB 3.01Å; H455-T458 PolarHBondContact O-N 2.81Å; H455-T458 VanDerWaalsContact O-N 3.16Å
456V86.5Confident83.8Confident0 Ų029.7 Ų29.70%017%0.165CC..Hα-helixtrans-60.9-41.2177.3174.60000110.6L400 T404 L442 C446 S452 T458 C460 L483 L487L400-V456 HydrophobicContact CD1-CG2 3.86Å; T404-V456 HydrophobicContact CG2-CG2 4Å; L442-V456 HydrophobicContact CD1-CG2 4.45Å; L442-V456 HydrophobicContact CD2-CG2 3.73Å; C446-V456 VanDerWaalsContact SG-CG2 3.58Å; S452-V456 WeakPolarHBondContact O-CG2 3.38Å; S452-V456 PolarHBondContact O-N 2.93Å; V456-T458 PolarHBondContact O-N 3.38Å; V456-C460 HydrophobicContact CG1-CB 4.05Å; V456-C460 WeakPolarHBondContact O-CB 3.28Å; V456-C460 PolarHBondContact O-N 3.1Å; V456-L483 HydrophobicContact CG1-CD2 4.18Å; V456-L487 HydrophobicContact CB-CD2 4.32Å; V456-L487 HydrophobicContact CG1-CD1 4.2Å; V456-L487 HydrophobicContact CG1-CD2 4.42Å
457A79.2Confident83.4Confident1 Ų129.7 Ų29.71%0.00817%0.165CC..Hα-helixtrans-56.9-42.3179.900000110.5Q453 H455 D459 V461 L518Q453-A457 WeakPolarHBondContact O-CB 3.24Å; Q453-A457 PolarHBondContact O-N 3.07Å; H455-A457 VanDerWaalsContact C-N 3.26Å; H455-A457 PolarHBondContact O-N 2.81Å; A457-D459 PolarHBondContact O-N 2.73Å; A457-V461 HydrophobicContact CB-CG2 4.26Å; A457-V461 VanDerWaalsContact O-CG2 3.24Å; A457-V461 WeakPolarHBondContact O-CG2 2.93Å; A457-L518 VanDerWaalsContact C-CD2 3.44Å; A457-L518 HydrophobicContact CB-CD2 3.29Å; A457-L518 HydrophobicContact CB-CG 3.86Å; A457-L518 WeakPolarHBondContact O-CD1 3.46Å; A457-L518 WeakPolarHBondContact O-CG 3.29Å
458T76.7Confident82.8Confident52 Ų5225.7 Ų25.732%0.31915%0.151SC..Hα-helixtrans-56.7-46.4-170.7-61.90000113.4L454 H455 V456L454-T458 PolarHBondContact O-N 3.49Å; L454-T458 VanDerWaalsContact O-N 3.14Å; L454-T458 PolarHBondContact O-OG1 3.38Å; H455-T458 WeakPolarHBondContact O-CB 3.01Å; H455-T458 PolarHBondContact O-N 2.81Å; H455-T458 VanDerWaalsContact O-N 3.16Å; V456-T458 PolarHBondContact O-N 3.38Å
459D76.4Confident82.3Confident88 Ų8826.5 Ų26.547%0.47115%0.149SC..Hα-helixtrans-121.7-21-170.5-62.3-51.9000114.2L408 A457L408-D459 HydrophobicContact CD1-CB 4.04Å; L408-D459 HydrophobicContact CD2-CB 4.01Å; A457-D459 PolarHBondContact O-N 2.73Å
460C85Confident81.7Confident0 Ų027.5 Ų27.50%016%0.156CC..Hα-helixtrans-102.9-13.5-168.9-62.70000114.7L407 V456 I463 V464L407-C460 HydrophobicContact CD1-CB 4.23Å; V456-C460 HydrophobicContact CG1-CB 4.05Å; V456-C460 WeakPolarHBondContact O-CB 3.28Å; V456-C460 PolarHBondContact O-N 3.1Å; C460-I463 WeakPolarHBondContact O-CB 3.4Å; C460-I463 PolarHBondContact O-N 3.5Å; C460-V464 HydrophobicContact CB-CG2 4.32Å; C460-V464 WeakPolarHBondContact O-CG2 3.45Å; C460-V464 PolarHBondContact O-N 3.28Å
461V80.9Confident81.2Confident2 Ų229.2 Ų29.21%0.01218%0.178CC..Hα-helixtrans-53.3-48.2-175.9164.20000113.7A457 I463 V464 H465 M484 L487 Q521 V522A457-V461 HydrophobicContact CB-CG2 4.26Å; A457-V461 VanDerWaalsContact O-CG2 3.24Å; A457-V461 WeakPolarHBondContact O-CG2 2.93Å; V461-I463 VanDerWaalsContact C-N 3.25Å; V461-I463 PolarHBondContact O-N 3.49Å; V461-V464 PolarHBondContact O-N 3.27Å; V461-H465 VanDerWaalsContact O-CB 3.29Å; V461-H465 WeakPolarHBondContact O-CB 3.4Å; V461-H465 PolarHBondContact O-N 2.66Å; V461-M484 HydrophobicContact CG1-CE 4.33Å; V461-L487 HydrophobicContact CG2-CD1 4.19Å; V461-Q521 HydrophobicContact CG1-CB 4.28Å; V461-V522 HydrophobicContact CB-CG2 4.47Å; V461-V522 HydrophobicContact CG1-CG2 3.7Å; V461-V522 HydrophobicContact CG2-CG2 3.88Å
462P77.7Confident80.7Confident38 Ų3828.2 Ų28.225%0.24717%0.168CC..Hα-helixtrans-59.6-38.1178.5-24.635.1000112.5C415 R466C415-P462 WeakPolarHBondContact O-CB 3.43Å; P462-R466 WeakPolarHBondContact O-CG 3.46Å; P462-R466 PolarHBondContact O-N 2.81Å; P462-R466 VanDerWaalsContact O-N 3.17Å
463I84.6Confident79.8Confident1 Ų137.8 Ų37.81%0.00521%0.209CC..Hα-helixtrans-67.9-51.9179.4-58.3167.9000109.9L408 A411 C415 F429 C460 V461 H465 R466 L467L408-I463 HydrophobicContact CD2-CD1 3.84Å; A411-I463 HydrophobicContact CB-CB 4.33Å; A411-I463 HydrophobicContact CB-CD1 3.53Å; A411-I463 HydrophobicContact CB-CG1 3.71Å; A411-I463 HydrophobicContact CB-CG2 3.66Å; C415-I463 HydrophobicContact CB-CG1 4.29Å; F429-I463 HydrophobicContact CE1-CG2 3.98Å; F429-I463 HydrophobicContact CZ-CG2 4.25Å; C460-I463 WeakPolarHBondContact O-CB 3.4Å; C460-I463 PolarHBondContact O-N 3.5Å; V461-I463 VanDerWaalsContact C-N 3.25Å; V461-I463 PolarHBondContact O-N 3.49Å; I463-H465 VanDerWaalsContact C-N 3.34Å; I463-H465 PolarHBondContact O-N 3.17Å; I463-R466 PolarHBondContact O-N 3.49Å; I463-L467 HydrophobicContact CG2-CD1 4.25Å; I463-L467 WeakPolarHBondContact O-CG 3.46Å; I463-L467 PolarHBondContact O-N 3.28Å; I463-L467 VanDerWaalsContact O-N 3.11Å
464V85.2Confident79.2Confident0 Ų042.3 Ų42.30%023%0.23CC..Hα-helixtrans-61.1-44.5-178.7178.70000110.5L407 L439 C460 V461 R466 L467 E468 A480 L483 M484L407-V464 HydrophobicContact CD1-CG2 4.45Å; L439-V464 HydrophobicContact CD2-CG2 4.34Å; C460-V464 HydrophobicContact CB-CG2 4.32Å; C460-V464 WeakPolarHBondContact O-CG2 3.45Å; C460-V464 PolarHBondContact O-N 3.28Å; V461-V464 PolarHBondContact O-N 3.27Å; V464-R466 VanDerWaalsContact C-N 3.31Å; V464-R466 PolarHBondContact O-N 3.48Å; V464-L467 WeakPolarHBondContact O-CB 3.29Å; V464-L467 PolarHBondContact O-N 3.02Å; V464-L467 VanDerWaalsContact O-N 3.12Å; V464-E468 PolarHBondContact O-N 3.48Å; V464-E468 VanDerWaalsContact O-N 3.12Å; V464-A480 HydrophobicContact CG1-CB 3.92Å; V464-A480 WeakPolarHBondContact CG1-O 3.33Å; V464-A480 WeakPolarHBondContact O-CB 3.37Å; V464-L483 HydrophobicContact CG1-CB 4.19Å; V464-L483 HydrophobicContact CG1-CD2 4.02Å; V464-L483 HydrophobicContact CG1-CG 4.3Å; V464-L483 HydrophobicContact CG2-CD2 3.8Å; V464-M484 HydrophobicContact CB-SD 4.39Å; V464-M484 HydrophobicContact CG1-CG 3.77Å; V464-M484 HydrophobicContact CG1-SD 4.06Å
465H79.7Confident79.2Confident17 Ų1746.1 Ų46.18%0.07925%0.247CC..Hα-helixtrans-59.6-40.7177.1171.550.7000112.7V461 I463 L467 E468 M484 A525 E528 T529V461-H465 VanDerWaalsContact O-CB 3.29Å; V461-H465 WeakPolarHBondContact O-CB 3.4Å; V461-H465 PolarHBondContact O-N 2.66Å; I463-H465 VanDerWaalsContact C-N 3.34Å; I463-H465 PolarHBondContact O-N 3.17Å; H465-L467 VanDerWaalsContact C-N 3.32Å; H465-L467 PolarHBondContact O-N 3.36Å; H465-E468 IonicContact ND1-OE2 2.64Å; H465-E468 VanDerWaalsContact O-CB 3.26Å; H465-E468 WeakPolarHBondContact O-CB 3.4Å; H465-E468 PolarHBondContact O-N 3.19Å; H465-M484 HydrophobicContact CB-CE 4.34Å; H465-A525 HydrophobicContact CB-CB 3.93Å; H465-A525 WeakPolarHBondContact CD2-CB 3.26Å; H465-A525 VanDerWaalsContact CE1-C 3.42Å; H465-A525 PolarHBondContact CE1-O 3.35Å; H465-A525 WeakPolarHBondContact ND1-CB 3.44Å; H465-A525 PolarHBondContact NE2-O 3.36Å; H465-E528 IonicContact NE2-OE2 3.48Å; H465-T529 PolarHBondContact CE1-OG1 3.25Å; H465-T529 PolarHBondContact ND1-OG1 3.16Å
466R77.7Confident79.3Confident23 Ų2343.3 Ų43.39%0.08723%0.234CC..Hα-helixtrans-62.8-40.7175.3-73.8-51.4-155.9-153.312.8112.2C415 G418 L419 P462 I463 V464 E468 S469 E528C415-R466 HydrophobicContact CB-CG 4.39Å; G418-R466 VanDerWaalsContact CA-NH2 3.29Å; G418-R466 PolarHBondContact O-NH2 3.28Å; L419-R466 PolarHBondContact O-NH2 2.94Å; P462-R466 WeakPolarHBondContact O-CG 3.46Å; P462-R466 PolarHBondContact O-N 2.81Å; P462-R466 VanDerWaalsContact O-N 3.17Å; I463-R466 PolarHBondContact O-N 3.49Å; V464-R466 VanDerWaalsContact C-N 3.31Å; V464-R466 PolarHBondContact O-N 3.48Å; R466-E468 VanDerWaalsContact C-N 3.26Å; R466-E468 PolarHBondContact O-N 3.18Å; R466-S469 PolarHBondContact O-N 2.96Å; R466-S469 PolarHBondContact O-OG 3.08Å; R466-E528 IonicContact NH1-OE1 3.84Å; R466-E528 PolarHBondContact NH1-OE1 2.81Å; R466-E528 IonicContact NH1-OE2 3.64Å
467L83.2Confident79.1Confident0 Ų043.6 Ų43.60%024%0.237CC..Hα-helixtrans-64.9-27.3178.6-67.1175.2000113L426 F429 V430 L435 L439 I463 V464 H465 S469 V470 I476 G477 A480L426-L467 HydrophobicContact CD1-CD2 4.39Å; F429-L467 HydrophobicContact CD1-CD2 4.1Å; F429-L467 HydrophobicContact CE1-CD1 3.91Å; F429-L467 HydrophobicContact CE1-CD2 3.91Å; F429-L467 HydrophobicContact CE1-CG 4.28Å; F429-L467 HydrophobicContact CZ-CD1 4.39Å; V430-L467 HydrophobicContact CG2-CD2 3.93Å; L435-L467 HydrophobicContact CD1-CD1 3.99Å; L435-L467 HydrophobicContact CD2-CD1 4.22Å; L435-L467 HydrophobicContact CD2-CD2 4.16Å; L439-L467 HydrophobicContact CD1-CD1 3.98Å; L439-L467 HydrophobicContact CD2-CD1 4.39Å; I463-L467 HydrophobicContact CG2-CD1 4.25Å; I463-L467 WeakPolarHBondContact O-CG 3.46Å; I463-L467 PolarHBondContact O-N 3.28Å; I463-L467 VanDerWaalsContact O-N 3.11Å; V464-L467 WeakPolarHBondContact O-CB 3.29Å; V464-L467 PolarHBondContact O-N 3.02Å; V464-L467 VanDerWaalsContact O-N 3.12Å; H465-L467 VanDerWaalsContact C-N 3.32Å; H465-L467 PolarHBondContact O-N 3.36Å; L467-S469 PolarHBondContact O-N 3.42Å; L467-V470 HydrophobicContact CD2-CG2 4.41Å; L467-V470 WeakPolarHBondContact O-CB 3.27Å; L467-V470 PolarHBondContact O-N 2.99Å; L467-I476 HydrophobicContact CB-CG2 4.22Å; L467-I476 HydrophobicContact CD1-CG2 4.41Å; L467-I476 HydrophobicContact CD2-CG2 4.13Å; L467-I476 HydrophobicContact CG-CG2 4.49Å; L467-G477 VanDerWaalsContact O-CA 3.24Å; L467-G477 WeakPolarHBondContact O-CA 3.26Å; L467-A480 HydrophobicContact CB-CB 3.78Å
468E79Confident79.4Confident17 Ų1747 Ų478%0.07926%0.261CS..Hα-helixtrans-53.8-38.5175.8-169.5-172.8175.400112.3V464 H465 R466 V470 A480 E481 T529 K533V464-E468 PolarHBondContact O-N 3.48Å; V464-E468 VanDerWaalsContact O-N 3.12Å; H465-E468 IonicContact ND1-OE2 2.64Å; H465-E468 VanDerWaalsContact O-CB 3.26Å; H465-E468 WeakPolarHBondContact O-CB 3.4Å; H465-E468 PolarHBondContact O-N 3.19Å; R466-E468 VanDerWaalsContact C-N 3.26Å; R466-E468 PolarHBondContact O-N 3.18Å; E468-V470 VanDerWaalsContact C-N 3.26Å; E468-V470 PolarHBondContact O-N 3.45Å; E468-A480 HydrophobicContact CB-CB 4.5Å; E468-E481 HydrophobicContact CG-CB 3.98Å; E468-E481 HydrophobicContact CG-CG 4.39Å; E468-T529 WeakPolarHBondContact OE1-CG2 3.38Å; E468-T529 PolarHBondContact OE2-OG1 2.89Å; E468-K533 IonicContact OE1-NZ 2.65Å; E468-K533 PolarHBondContact OE1-NZ 3.09Å
469S74.3Confident80Confident62 Ų6246.2 Ų46.243%0.43425%0.254SS..THydrogen-bonded Turntrans-80.6-5-178.766.90000114.2L421 R466 L467L421-S469 VanDerWaalsContact CD2-OG 3.3Å; L421-S469 WeakPolarHBondContact CD2-OG 3.44Å; R466-S469 PolarHBondContact O-N 2.96Å; R466-S469 PolarHBondContact O-OG 3.08Å; L467-S469 PolarHBondContact O-N 3.42Å
470V75.5Confident80.6Confident24 Ų2442 Ų4215%0.14523%0.232CC..  trans-86.7119.8-178.3179.30000110.3L426 V430 L467 E468 G477L426-V470 HydrophobicContact CD2-CG2 4.23Å; V430-V470 HydrophobicContact CB-CG1 4.33Å; V430-V470 HydrophobicContact CG1-CG1 3.67Å; V430-V470 HydrophobicContact CG2-CB 4.43Å; V430-V470 HydrophobicContact CG2-CG1 3.71Å; V430-V470 HydrophobicContact CG2-CG2 4.15Å; L467-V470 HydrophobicContact CD2-CG2 4.41Å; L467-V470 WeakPolarHBondContact O-CB 3.27Å; L467-V470 PolarHBondContact O-N 2.99Å; E468-V470 VanDerWaalsContact C-N 3.26Å; E468-V470 PolarHBondContact O-N 3.45Å; V470-G477 WeakPolarHBondContact O-CA 3.27Å; V470-G477 PolarHBondContact O-N 3.45Å
471S73.8Confident80.6Confident126 Ų12645.6 Ų45.688%0.88125%0.248SC*.  trans-86.2109.9167.4175.50000109.8
472S74.6Confident80.9Confident29 Ų2946.7 Ų46.720%0.20326%0.26CS..  trans-128.9155.6175.877.10000111.8E474 H475 I476S472-E474 PolarHBondContact O-N 2.67Å; S472-H475 PolarHBondContact O-N 2.69Å; S472-I476 VanDerWaalsContact OG-CB 3.32Å; S472-I476 WeakPolarHBondContact OG-CB 3.37Å; S472-I476 WeakPolarHBondContact OG-CD1 3.45Å; S472-I476 WeakPolarHBondContact OG-CG1 3.39Å; S472-I476 PolarHBondContact OG-N 3.5Å; S472-I476 VanDerWaalsContact OG-N 3.14Å
473K70.5Confident81.4Confident201 Ų20144.9 Ų44.987%0.87425%0.248SC*.THydrogen-bonded Turntrans-61-27.5175.7-67.8-175.6178.3-178.80112.9H475K473-H475 VanDerWaalsContact C-N 3.26Å; K473-H475 PolarHBondContact O-N 3.38Å
474E76Confident81.3Confident98 Ų9844.8 Ų44.846%0.45825%0.248SC..THydrogen-bonded Turntrans-86.59.1-178.5-68.8-58.2152.100113.1R436 S472 I476R436-E474 WeakPolarHBondContact CD-OE2 3.07Å; R436-E474 IonicContact NE-OE2 3.01Å; R436-E474 PolarHBondContact NE-OE2 3.48Å; S472-E474 PolarHBondContact O-N 2.67Å; E474-I476 HydrophobicContact CB-CD1 4.24Å; E474-I476 HydrophobicContact CB-CG1 4.1Å; E474-I476 PolarHBondContact O-N 2.86Å
475H82Confident81.1Confident128 Ų12848.5 Ų48.559%0.59327%0.266SS*.  trans55.732.5-179.9-58.4-77.5000114.4S472 K473 G477 S478 L479S472-H475 PolarHBondContact O-N 2.69Å; K473-H475 VanDerWaalsContact C-N 3.26Å; K473-H475 PolarHBondContact O-N 3.38Å; H475-G477 VanDerWaalsContact C-N 3.3Å; H475-G477 PolarHBondContact O-N 3.32Å; H475-S478 PolarHBondContact O-N 2.92Å; H475-S478 VanDerWaalsContact O-N 3.11Å; H475-L479 PolarHBondContact O-N 2.92Å
476I86.9Confident81.4Confident2 Ų247.9 Ų47.91%0.0126%0.263CS..Hα-helixtrans-58.8-42.1-178-68.1165.5000111V430 L435 L439 L467 S472 E474 S478 L479 A480V430-I476 HydrophobicContact CG1-CD1 3.8Å; V430-I476 WeakPolarHBondContact O-CD1 3.05Å; L435-I476 HydrophobicContact CD2-CD1 4.11Å; L435-I476 HydrophobicContact CD2-CG2 4.1Å; L435-I476 HydrophobicContact CG-CG2 4.49Å; L439-I476 HydrophobicContact CD1-CG2 3.76Å; L467-I476 HydrophobicContact CB-CG2 4.22Å; L467-I476 HydrophobicContact CD1-CG2 4.41Å; L467-I476 HydrophobicContact CD2-CG2 4.13Å; L467-I476 HydrophobicContact CG-CG2 4.49Å; S472-I476 VanDerWaalsContact OG-CB 3.32Å; S472-I476 WeakPolarHBondContact OG-CB 3.37Å; S472-I476 WeakPolarHBondContact OG-CD1 3.45Å; S472-I476 WeakPolarHBondContact OG-CG1 3.39Å; S472-I476 PolarHBondContact OG-N 3.5Å; S472-I476 VanDerWaalsContact OG-N 3.14Å; E474-I476 HydrophobicContact CB-CD1 4.24Å; E474-I476 HydrophobicContact CB-CG1 4.1Å; E474-I476 PolarHBondContact O-N 2.86Å; I476-S478 VanDerWaalsContact C-N 3.33Å; I476-S478 PolarHBondContact O-N 2.8Å; I476-L479 PolarHBondContact O-N 3.47Å; I476-A480 WeakPolarHBondContact O-CB 3.33Å; I476-A480 PolarHBondContact O-N 2.88Å
477G82.6Confident81.6Confident7 Ų746.9 Ų46.97%0.07226%0.259CS..Hα-helixtrans-60.5-40.2176.400000113.3L467 V470 H475 A480 E481L467-G477 VanDerWaalsContact O-CA 3.24Å; L467-G477 WeakPolarHBondContact O-CA 3.26Å; V470-G477 WeakPolarHBondContact O-CA 3.27Å; V470-G477 PolarHBondContact O-N 3.45Å; H475-G477 VanDerWaalsContact C-N 3.3Å; H475-G477 PolarHBondContact O-N 3.32Å; G477-A480 PolarHBondContact O-N 2.96Å; G477-E481 WeakPolarHBondContact O-CB 3.5Å; G477-E481 PolarHBondContact O-N 2.88Å
478S85.9Confident81.1Confident73 Ų7353.4 Ų53.451%0.5128%0.284SS..Hα-helixtrans-68.7-38.7176.8-52.60000112.4H475 I476 A480 E481 G482H475-S478 PolarHBondContact O-N 2.92Å; H475-S478 VanDerWaalsContact O-N 3.11Å; I476-S478 VanDerWaalsContact C-N 3.33Å; I476-S478 PolarHBondContact O-N 2.8Å; S478-A480 VanDerWaalsContact C-N 3.34Å; S478-E481 PolarHBondContact O-N 2.74Å; S478-G482 PolarHBondContact O-N 3.43Å
479L89.7Confident80.7Confident34 Ų3457.8 Ų57.818%0.17830%0.304CS..Hα-helixtrans-65.5-38.5174.3-68.5173.8000111.8R436 L439 K440 N443 H475 I476 L483R436-L479 HydrophobicContact CG-CD1 3.96Å; L439-L479 HydrophobicContact CB-CB 4.1Å; L439-L479 HydrophobicContact CB-CD1 4.41Å; L439-L479 HydrophobicContact CD1-CB 4.47Å; K440-L479 HydrophobicContact CB-CD1 4.31Å; K440-L479 HydrophobicContact CB-CD2 4.27Å; K440-L479 HydrophobicContact CG-CD2 4.4Å; N443-L479 PolarHBondContact ND2-O 3.21Å; N443-L479 PolarHBondContact OD1-O 2.94Å; H475-L479 PolarHBondContact O-N 2.92Å; I476-L479 PolarHBondContact O-N 3.47Å; L479-L483 WeakPolarHBondContact O-CB 3.16Å; L479-L483 PolarHBondContact O-N 3.33Å
480A88.5Confident80.3Confident0 Ų055.4 Ų55.40%029%0.287CS..Hα-helixtrans-67.7-42.5175.700000111.9V464 L467 E468 I476 G477 S478 L483 M484V464-A480 HydrophobicContact CG1-CB 3.92Å; V464-A480 WeakPolarHBondContact CG1-O 3.33Å; V464-A480 WeakPolarHBondContact O-CB 3.37Å; L467-A480 HydrophobicContact CB-CB 3.78Å; E468-A480 HydrophobicContact CB-CB 4.5Å; I476-A480 WeakPolarHBondContact O-CB 3.33Å; I476-A480 PolarHBondContact O-N 2.88Å; G477-A480 PolarHBondContact O-N 2.96Å; S478-A480 VanDerWaalsContact C-N 3.34Å; A480-L483 PolarHBondContact O-N 2.87Å; A480-M484 WeakPolarHBondContact O-CG 3.32Å; A480-M484 PolarHBondContact O-N 3.12Å
481E83.6Confident79.3Confident75 Ų7558.5 Ų58.535%0.3530%0.302SS..Hα-helixtrans-59.5-46.1173.4-171.4163.4-171.100111.4E468 G477 S478 L483 M484 E485 K533E468-E481 HydrophobicContact CG-CB 3.98Å; E468-E481 HydrophobicContact CG-CG 4.39Å; G477-E481 WeakPolarHBondContact O-CB 3.5Å; G477-E481 PolarHBondContact O-N 2.88Å; S478-E481 PolarHBondContact O-N 2.74Å; E481-L483 VanDerWaalsContact C-N 3.35Å; E481-L483 PolarHBondContact O-N 2.93Å; E481-M484 PolarHBondContact O-N 3.14Å; E481-E485 PolarHBondContact O-N 3.36Å; E481-K533 VanDerWaalsContact CD-NZ 3.33Å; E481-K533 IonicContact OE1-NZ 2.78Å; E481-K533 PolarHBondContact OE1-NZ 3.35Å; E481-K533 IonicContact OE2-NZ 3.76Å; E481-K533 PolarHBondContact OE2-NZ 2.86Å
482G87.3Confident78.4Confident25 Ų2554.9 Ų54.926%0.25828%0.275SS..Hα-helixtrans-59.4-42.9176.800000112.8S478 M484 E485 I486S478-G482 PolarHBondContact O-N 3.43Å; G482-M484 VanDerWaalsContact C-N 3.34Å; G482-M484 PolarHBondContact O-N 2.69Å; G482-E485 PolarHBondContact O-N 3.47Å; G482-I486 WeakPolarHBondContact O-CG1 3.39Å; G482-I486 PolarHBondContact O-N 3.18Å
483L89.8Confident77.4Confident0 Ų053.7 Ų53.70%027%0.266CS..Hα-helixtrans-65.2-41.9179.1-17955.7000110.3L439 L442 N443 C446 V456 V464 L479 A480 E481 E485 I486 L487L439-L483 HydrophobicContact CD2-CD2 4.29Å; L442-L483 HydrophobicContact CB-CD1 4.21Å; L442-L483 HydrophobicContact CB-CD2 3.99Å; L442-L483 HydrophobicContact CD1-CD2 4.26Å; N443-L483 VanDerWaalsContact OD1-CA 3.29Å; N443-L483 WeakPolarHBondContact OD1-CA 3.35Å; N443-L483 PolarHBondContact OD1-N 3.29Å; C446-L483 HydrophobicContact CB-CD1 4.13Å; V456-L483 HydrophobicContact CG1-CD2 4.18Å; V464-L483 HydrophobicContact CG1-CB 4.19Å; V464-L483 HydrophobicContact CG1-CD2 4.02Å; V464-L483 HydrophobicContact CG1-CG 4.3Å; V464-L483 HydrophobicContact CG2-CD2 3.8Å; L479-L483 WeakPolarHBondContact O-CB 3.16Å; L479-L483 PolarHBondContact O-N 3.33Å; A480-L483 PolarHBondContact O-N 2.87Å; E481-L483 VanDerWaalsContact C-N 3.35Å; E481-L483 PolarHBondContact O-N 2.93Å; L483-E485 VanDerWaalsContact C-N 3.29Å; L483-E485 PolarHBondContact O-N 3.27Å; L483-I486 PolarHBondContact O-N 2.79Å; L483-L487 HydrophobicContact CD1-CG 4.43Å; L483-L487 HydrophobicContact CG-CD1 4.46Å; L483-L487 VanDerWaalsContact O-CG 3.27Å; L483-L487 WeakPolarHBondContact O-CG 3.32Å; L483-L487 PolarHBondContact O-N 3.01Å
484M82.6Confident76.1Confident0 Ų045.2 Ų45.20%023%0.233CC..Hα-helixtrans-62.6-34.2175.6-69.1-67-74.500112.7V461 V464 H465 A480 E481 G482 L487 R488 V522 A525V461-M484 HydrophobicContact CG1-CE 4.33Å; V464-M484 HydrophobicContact CB-SD 4.39Å; V464-M484 HydrophobicContact CG1-CG 3.77Å; V464-M484 HydrophobicContact CG1-SD 4.06Å; H465-M484 HydrophobicContact CB-CE 4.34Å; A480-M484 WeakPolarHBondContact O-CG 3.32Å; A480-M484 PolarHBondContact O-N 3.12Å; E481-M484 PolarHBondContact O-N 3.14Å; G482-M484 VanDerWaalsContact C-N 3.34Å; G482-M484 PolarHBondContact O-N 2.69Å; M484-L487 HydrophobicContact SD-CD1 4.39Å; M484-R488 PolarHBondContact O-N 2.74Å; M484-V522 HydrophobicContact CE-CB 4.3Å; M484-V522 HydrophobicContact CE-CG1 3.83Å; M484-V522 HydrophobicContact CE-CG2 4.2Å; M484-A525 HydrophobicContact CE-CB 4.42Å
485E81.3Confident74.5Confident78 Ų7846.8 Ų46.836%0.36424%0.239SC..Hα-helixtrans-69.8-42.9174.5-159.164.8-145.600111.6E481 G482 L483 L487 R488 E489 R526E481-E485 PolarHBondContact O-N 3.36Å; G482-E485 PolarHBondContact O-N 3.47Å; L483-E485 VanDerWaalsContact C-N 3.29Å; L483-E485 PolarHBondContact O-N 3.27Å; E485-L487 VanDerWaalsContact C-N 3.3Å; E485-L487 PolarHBondContact O-N 3.42Å; E485-R488 VanDerWaalsContact O-CB 3.25Å; E485-R488 WeakPolarHBondContact O-CB 2.93Å; E485-R488 PolarHBondContact O-N 3.22Å; E485-R488 IonicContact OE1-NH1 3.53Å; E485-R488 PolarHBondContact OE1-NH1 3.29Å; E485-E489 PolarHBondContact O-N 3.31Å; E485-R526 IonicContact OE1-NH1 3.87Å; E485-R526 IonicContact OE2-CZ 2.77Å; E485-R526 IonicContact OE2-NH1 2.85Å; E485-R526 PolarHBondContact OE2-NH1 3.46Å; E485-R526 IonicContact OE2-NH2 3.89Å; E485-R526 PolarHBondContact OE2-NH2 3.2Å
486I85Confident72.7Confident4 Ų442.6 Ų42.62%0.02122%0.219CC..Hα-helixtrans-61.9-39.2177.1-71.8159.6000111.4N443 C446 R447 Q453 G482 L483 R488 E489N443-I486 HydrophobicContact CB-CD1 4.07Å; N443-I486 WeakPolarHBondContact O-CD1 3.24Å; N443-I486 WeakPolarHBondContact OD1-CD1 3.25Å; C446-I486 VanDerWaalsContact C-CG2 3.44Å; C446-I486 HydrophobicContact CB-CG2 3.65Å; R447-I486 HydrophobicContact CB-CD1 4.46Å; R447-I486 HydrophobicContact CB-CG2 4.39Å; Q453-I486 PolarHBondContact NE2-O 3.14Å; G482-I486 WeakPolarHBondContact O-CG1 3.39Å; G482-I486 PolarHBondContact O-N 3.18Å; L483-I486 PolarHBondContact O-N 2.79Å; I486-R488 PolarHBondContact O-N 2.91Å; I486-E489 PolarHBondContact O-N 3.25Å
487L81.5Confident70.4Confident1 Ų144.8 Ų44.81%0.00523%0.232CC..Hα-helixtrans-64.1-23.9176.6-68.2177.8000112.5Q453 V456 V461 L483 M484 E485 V493Q453-L487 HydrophobicContact CB-CD2 3.82Å; Q453-L487 HydrophobicContact CG-CD2 4.05Å; Q453-L487 WeakPolarHBondContact O-CD2 3.41Å; V456-L487 HydrophobicContact CB-CD2 4.32Å; V456-L487 HydrophobicContact CG1-CD1 4.2Å; V456-L487 HydrophobicContact CG1-CD2 4.42Å; V461-L487 HydrophobicContact CG2-CD1 4.19Å; L483-L487 HydrophobicContact CD1-CG 4.43Å; L483-L487 HydrophobicContact CG-CD1 4.46Å; L483-L487 VanDerWaalsContact O-CG 3.27Å; L483-L487 WeakPolarHBondContact O-CG 3.32Å; L483-L487 PolarHBondContact O-N 3.01Å; M484-L487 HydrophobicContact SD-CD1 4.39Å; E485-L487 VanDerWaalsContact C-N 3.3Å; E485-L487 PolarHBondContact O-N 3.42Å; L487-V493 WeakPolarHBondContact O-CG1 3.46Å
488R71.9Confident68.2Low138 Ų13847.8 Ų47.852%0.52125%0.251SS..Hα-helixtrans-79.9-27179.5-171.5-174.4176.4-151.6-0.5113.5M484 E485 I486 N490M484-R488 PolarHBondContact O-N 2.74Å; E485-R488 VanDerWaalsContact O-CB 3.25Å; E485-R488 WeakPolarHBondContact O-CB 2.93Å; E485-R488 PolarHBondContact O-N 3.22Å; E485-R488 IonicContact OE1-NH1 3.53Å; E485-R488 PolarHBondContact OE1-NH1 3.29Å; I486-R488 PolarHBondContact O-N 2.91Å; R488-N490 PolarHBondContact O-N 3.49Å; R488-N490 VanDerWaalsContact O-N 3.15Å
489E72Confident65.7Low108 Ų10855.6 Ų55.651%0.50527%0.269SS..SBendtrans-57.7-28.4179.5-67.4177175.100112.6E485 I486 D491E485-E489 PolarHBondContact O-N 3.31Å; I486-E489 PolarHBondContact O-N 3.25Å; E489-D491 PolarHBondContact O-N 3.42Å
490N65.3Low63.1Low13 Ų1359.5 Ų59.57%0.0730%0.3CS..  trans-76.3116-176.2-173.1-53.8000110.8E450 Q453 R488 V492 V493 A494E450-N490 VanDerWaalsContact CA-ND2 3.34Å; E450-N490 WeakPolarHBondContact CA-ND2 3.2Å; E450-N490 WeakPolarHBondContact CB-ND2 3.5Å; E450-N490 WeakPolarHBondContact CG-ND2 3.27Å; Q453-N490 PolarHBondContact OE1-ND2 3.25Å; R488-N490 PolarHBondContact O-N 3.49Å; R488-N490 VanDerWaalsContact O-N 3.15Å; N490-V492 VanDerWaalsContact C-N 3.3Å; N490-V492 PolarHBondContact O-N 3.16Å; N490-V492 VanDerWaalsContact OD1-CA 3.3Å; N490-V492 WeakPolarHBondContact OD1-CA 3.43Å; N490-V492 VanDerWaalsContact OD1-CB 3.28Å; N490-V492 WeakPolarHBondContact OD1-CB 3.44Å; N490-V492 PolarHBondContact OD1-N 3.23Å; N490-V493 HydrophobicContact CB-CB 3.83Å; N490-V493 HydrophobicContact CB-CG2 3.65Å; N490-V493 CarbonylContact O-C 3.47Å; N490-V493 WeakPolarHBondContact O-CA 3.47Å; N490-V493 WeakPolarHBondContact O-CB 3.49Å; N490-V493 PolarHBondContact O-N 3.38Å; N490-V493 VanDerWaalsContact O-N 3.11Å; N490-V493 PolarHBondContact OD1-N 3.47Å; N490-A494 VanDerWaalsContact O-CB 3.23Å; N490-A494 WeakPolarHBondContact O-CB 3.43Å; N490-A494 PolarHBondContact O-N 2.99Å
491D54.5Low60.7Low88 Ų8864.3 Ų64.347%0.47133%0.329SS..Hα-helixtrans-69.5-23.7-179.3-135.317.4000112.8E489 A494 K495E489-D491 PolarHBondContact O-N 3.42Å; D491-A494 CarbonylContact O-C 3.39Å; D491-A494 PolarHBondContact O-N 3.29Å; D491-K495 VanDerWaalsContact O-CA 3.28Å; D491-K495 WeakPolarHBondContact O-CA 3.48Å; D491-K495 WeakPolarHBondContact O-CB 3.46Å; D491-K495 WeakPolarHBondContact O-CG 3.38Å; D491-K495 PolarHBondContact O-N 3.34Å; D491-K495 WeakPolarHBondContact OD2-CE 3.29Å; D491-K495 IonicContact OD2-NZ 3.14Å; D491-K495 PolarHBondContact OD2-NZ 3.17Å
492V55.8Low58.7Low50 Ų5065.2 Ų65.230%0.30334%0.34SS..Hα-helixtrans-74.1-40.3169.9175.30000109.5E450 N490 A494 K496E450-V492 WeakPolarHBondContact OE1-CB 3.39Å; E450-V492 WeakPolarHBondContact OE1-CG2 3.5Å; N490-V492 VanDerWaalsContact C-N 3.3Å; N490-V492 PolarHBondContact O-N 3.16Å; N490-V492 VanDerWaalsContact OD1-CA 3.3Å; N490-V492 WeakPolarHBondContact OD1-CA 3.43Å; N490-V492 VanDerWaalsContact OD1-CB 3.28Å; N490-V492 WeakPolarHBondContact OD1-CB 3.44Å; N490-V492 PolarHBondContact OD1-N 3.23Å; V492-A494 VanDerWaalsContact C-N 3.33Å; V492-K496 HydrophobicContact CG1-CD 3.5Å; V492-K496 HydrophobicContact CG1-CG 4Å; V492-K496 VanDerWaalsContact CG1-NZ 3.33Å; V492-K496 WeakPolarHBondContact O-CA 3.28Å; V492-K496 WeakPolarHBondContact O-CB 3.42Å; V492-K496 WeakPolarHBondContact O-CD 3.48Å; V492-K496 WeakPolarHBondContact O-CG 3.41Å; V492-K496 PolarHBondContact O-N 2.94Å
493V51.8Low56.5Low5 Ų570.5 Ų70.53%0.0336%0.361CS..Hα-helixtrans-62-46.2168.2-178.20000108.4L454 L487 N490 K496 V497 C519L454-V493 HydrophobicContact CD2-CG2 4.01Å; L454-V493 HydrophobicContact CG-CG2 4.5Å; L487-V493 WeakPolarHBondContact O-CG1 3.46Å; N490-V493 HydrophobicContact CB-CB 3.83Å; N490-V493 HydrophobicContact CB-CG2 3.65Å; N490-V493 CarbonylContact O-C 3.47Å; N490-V493 WeakPolarHBondContact O-CA 3.47Å; N490-V493 WeakPolarHBondContact O-CB 3.49Å; N490-V493 PolarHBondContact O-N 3.38Å; N490-V493 VanDerWaalsContact O-N 3.11Å; N490-V493 PolarHBondContact OD1-N 3.47Å; V493-K496 CarbonylContact O-C 3.52Å; V493-V497 WeakPolarHBondContact O-CG2 3.17Å; V493-V497 PolarHBondContact O-N 3.04Å; V493-C519 PolarHBondContact O-SG 3.48Å
494A44.1Very low54.4Low22 Ų2275.6 Ų75.618%0.18239%0.392CS..Hα-helixtrans-83.9-18.5-172.100000116N490 D491 V492 V497 C498N490-A494 VanDerWaalsContact O-CB 3.23Å; N490-A494 WeakPolarHBondContact O-CB 3.43Å; N490-A494 PolarHBondContact O-N 2.99Å; D491-A494 CarbonylContact O-C 3.39Å; D491-A494 PolarHBondContact O-N 3.29Å; V492-A494 VanDerWaalsContact C-N 3.33Å; A494-V497 CarbonylContact O-C 3.55Å; A494-V497 VanDerWaalsContact O-CB 3.24Å; A494-V497 WeakPolarHBondContact O-CB 3.48Å; A494-C498 WeakPolarHBondContact O-CA 3.41Å; A494-C498 WeakPolarHBondContact O-CB 3.36Å; A494-C498 PolarHBondContact O-N 3.19Å; A494-C498 PolarHBondContact O-SG 2.96Å
495K43Very low52.5Low132 Ų13281.5 Ų81.557%0.57442%0.423SS*.Hα-helixtrans-102.8-25.6171.4-68.6174170.6158.50111.4D491 V497 C498D491-K495 VanDerWaalsContact O-CA 3.28Å; D491-K495 WeakPolarHBondContact O-CA 3.48Å; D491-K495 WeakPolarHBondContact O-CB 3.46Å; D491-K495 WeakPolarHBondContact O-CG 3.38Å; D491-K495 PolarHBondContact O-N 3.34Å; D491-K495 WeakPolarHBondContact OD2-CE 3.29Å; D491-K495 IonicContact OD2-NZ 3.14Å; D491-K495 PolarHBondContact OD2-NZ 3.17Å; K495-V497 PolarHBondContact O-N 3.29Å; K495-C498 PolarHBondContact O-N 3.12Å
496K42.9Very low50.3Low40 Ų4082.7 Ų82.717%0.17443%0.425CS..THydrogen-bonded Turntrans-65.5-15.5151.9-59.1175178.3164.70110.5V492 V493 W506 S515 C519V492-K496 HydrophobicContact CG1-CD 3.5Å; V492-K496 HydrophobicContact CG1-CG 4Å; V492-K496 VanDerWaalsContact CG1-NZ 3.33Å; V492-K496 WeakPolarHBondContact O-CA 3.28Å; V492-K496 WeakPolarHBondContact O-CB 3.42Å; V492-K496 WeakPolarHBondContact O-CD 3.48Å; V492-K496 WeakPolarHBondContact O-CG 3.41Å; V492-K496 PolarHBondContact O-N 2.94Å; V493-K496 CarbonylContact O-C 3.52Å; K496-W506 HydrophobicContact CG-CH2 4.2Å; K496-W506 HydrophobicContact CG-CZ3 4.25Å; K496-S515 WeakPolarHBondContact CB-OG 3.1Å; K496-S515 WeakPolarHBondContact CD-OG 3.18Å; K496-C519 PolarHBondContact O-SG 2.94Å
497V38.7Very low48.2Very low48 Ų4887.9 Ų87.929%0.29145%0.452SS..THydrogen-bonded Turntrans-84-48.7162.2179.40000112.3V493 A494 K495 C519V493-V497 WeakPolarHBondContact O-CG2 3.17Å; V493-V497 PolarHBondContact O-N 3.04Å; A494-V497 CarbonylContact O-C 3.55Å; A494-V497 VanDerWaalsContact O-CB 3.24Å; A494-V497 WeakPolarHBondContact O-CB 3.48Å; K495-V497 PolarHBondContact O-N 3.29Å; V497-C519 HydrophobicContact CB-CB 3.53Å; V497-C519 HydrophobicContact CG1-CB 4.08Å; V497-C519 VanDerWaalsContact CG2-CA 3.46Å; V497-C519 HydrophobicContact CG2-CB 3.13Å; V497-C519 WeakPolarHBondContact CG2-SG 3.16Å; V497-C519 PolarHBondContact N-SG 2.89Å
498C36.1Very low46.5Very low70 Ų7095.9 Ų95.947%0.47349%0.489SS..SBendtrans-111.2107.8-163.8-74.60000113.2A494 K495A494-C498 WeakPolarHBondContact O-CA 3.41Å; A494-C498 WeakPolarHBondContact O-CB 3.36Å; A494-C498 PolarHBondContact O-N 3.19Å; A494-C498 PolarHBondContact O-SG 2.96Å; K495-C498 PolarHBondContact O-N 3.12Å
499R33.9Very low45.1Very low236 Ų23692.8 Ų92.889%0.89148%0.483SS*.  trans68.6121.3143.1-65.6178.5173.8162.2-1.3118.4
500S36.5Very low43.9Very low116 Ų11692.2 Ų92.281%0.81149%0.489SS*.  trans76.172131.5-159.40000117.8
501T37.2Very low42.7Very low101 Ų10197.4 Ų97.462%0.6252%0.516SS*.SBendtrans-148.5134.5138.8-7.50000108.5I503T501-I503 PolarHBondContact O-N 3.45Å
502T42.5Very low42Very low95 Ų9594 Ų9458%0.58350%0.498SS*.  trans-10.3115-177.237.60000116.9V504 D505T502-V504 PolarHBondContact O-N 2.96Å; T502-D505 PolarHBondContact O-N 3.18Å
503I39.9Very low41.5Very low135 Ų13595.6 Ų95.669%0.69250%0.504SS*.Hα-helixtrans-46.5-28.7177.9-77.6169.8000113.8T501 L507T501-I503 PolarHBondContact O-N 3.45Å; I503-L507 HydrophobicContact CG2-CD1 3.87Å; I503-L507 PolarHBondContact O-N 2.85Å
504V46.8Very low41Very low108 Ų108104.4 Ų104.466%0.65554%0.537SS*.Hα-helixtrans-77.5-42.9-168.8-165.80000112.7T502 W506T502-V504 PolarHBondContact O-N 2.96Å; V504-W506 VanDerWaalsContact C-N 3.3Å; V504-W506 PolarHBondContact O-N 3.38Å
505D41.6Very low40.9Very low123 Ų123103.7 Ų103.766%0.65853%0.531SS*.Hα-helixtrans-75.3-23.8179.1-68.1-27.5000112.1T502T502-D505 PolarHBondContact O-N 3.18Å
506W36.1Very low40.9Very low103 Ų103100.2 Ų100.239%0.3952%0.522SS..Hα-helixtrans-76.4-29.5179.7-87.279.1000114K496 V504 Q508 N509 C512K496-W506 HydrophobicContact CG-CH2 4.2Å; K496-W506 HydrophobicContact CG-CZ3 4.25Å; V504-W506 VanDerWaalsContact C-N 3.3Å; V504-W506 PolarHBondContact O-N 3.38Å; W506-Q508 PolarHBondContact O-N 2.91Å; W506-N509 PolarHBondContact O-N 3.38Å; W506-C512 HydrophobicContact CD2-CB 4.41Å; W506-C512 HydrophobicContact CE3-CB 3.4Å; W506-C512 HydrophobicContact CZ3-CB 3.57Å; W506-C512 WeakPolarHBondContact CZ3-SG 3.29Å
507L39.5Very low41.1Very low114 Ų114106.6 Ų106.660%0.59755%0.545SS*.THydrogen-bonded Turntrans-68-12.9-179.5-88.4162.1000113.8I503I503-L507 HydrophobicContact CG2-CD1 3.87Å; I503-L507 PolarHBondContact O-N 2.85Å
508Q46.8Very low41.3Very low168 Ų168104.8 Ų104.879%0.78553%0.534SS*.THydrogen-bonded Turntrans-99.2-7.6-178.3-106.2160.1-21.700114.9W506 P510W506-Q508 PolarHBondContact O-N 2.91Å; Q508-P510 VanDerWaalsContact O-CD 3.27Å; Q508-P510 WeakPolarHBondContact O-CD 3.39Å
509N42.6Very low41.9Very low74 Ų74101.5 Ų101.540%0.39651%0.512SS..  trans-97.1108.8175.4-165.9-25.3000111.2W506 L511 C512 I513W506-N509 PolarHBondContact O-N 3.38Å; N509-L511 PolarHBondContact O-N 3.23Å; N509-L511 VanDerWaalsContact O-N 3.15Å; N509-L511 WeakPolarHBondContact OD1-CB 3.48Å; N509-L511 PolarHBondContact OD1-N 3.34Å; N509-C512 HydrophobicContact CB-CB 4.09Å; N509-C512 WeakPolarHBondContact O-CA 3.47Å; N509-C512 WeakPolarHBondContact O-CB 3.07Å; N509-C512 PolarHBondContact O-N 2.79Å; N509-I513 PolarHBondContact O-N 3.28Å
510P47Very low42.8Very low95 Ų9595.6 Ų95.662%0.61750%0.498SS*.Hα-helixtrans-61.1-22.7179.520.6-30.1000113.9Q508 C512 R514Q508-P510 VanDerWaalsContact O-CD 3.27Å; Q508-P510 WeakPolarHBondContact O-CD 3.39Å; P510-C512 VanDerWaalsContact C-N 3.34Å; P510-R514 PolarHBondContact O-N 3.21Å
511L38.8Very low43.6Very low123 Ų12393.4 Ų93.464%0.64448%0.475SS*.Hα-helixtrans-69.3-31170.3-89.8100.6000112.7N509N509-L511 PolarHBondContact O-N 3.23Å; N509-L511 VanDerWaalsContact O-N 3.15Å; N509-L511 WeakPolarHBondContact OD1-CB 3.48Å; N509-L511 PolarHBondContact OD1-N 3.34Å
512C41.5Very low44.6Very low15 Ų1589.2 Ų89.210%0.10145%0.449CS..Hα-helixtrans-76.7-38.6-179.8-73.70000112.4W506 N509 P510 R514 S515 C516W506-C512 HydrophobicContact CD2-CB 4.41Å; W506-C512 HydrophobicContact CE3-CB 3.4Å; W506-C512 HydrophobicContact CZ3-CB 3.57Å; W506-C512 WeakPolarHBondContact CZ3-SG 3.29Å; N509-C512 HydrophobicContact CB-CB 4.09Å; N509-C512 WeakPolarHBondContact O-CA 3.47Å; N509-C512 WeakPolarHBondContact O-CB 3.07Å; N509-C512 PolarHBondContact O-N 2.79Å; P510-C512 VanDerWaalsContact C-N 3.34Å; C512-R514 PolarHBondContact O-N 3.17Å; C512-S515 PolarHBondContact O-N 3.28Å; C512-C516 WeakPolarHBondContact O-CB 3.42Å; C512-C516 PolarHBondContact O-N 3.03Å
513I44.3Very low45.5Very low84 Ų8489.3 Ų89.343%0.43144%0.443SS..Hα-helixtrans-62.8-42.7178.1-66167.7000111.2N509 S515N509-I513 PolarHBondContact O-N 3.28Å; I513-S515 VanDerWaalsContact C-N 3.34Å; I513-S515 PolarHBondContact O-N 3.44Å
514R42.2Very low46.6Very low190 Ų19089.1 Ų89.172%0.71744%0.439SS*.Hα-helixtrans-62.8-41.2178.5-108.2-178.2172.6-167.9-4.7112P510 C512P510-R514 PolarHBondContact O-N 3.21Å; C512-R514 PolarHBondContact O-N 3.17Å
515S40.4Very low47.3Very low7 Ų784.2 Ų84.25%0.04941%0.41CS..Hα-helixtrans-79.1-40.7-175.6-162.70000113.7K496 C512 I513 R517 L518 C519K496-S515 WeakPolarHBondContact CB-OG 3.1Å; K496-S515 WeakPolarHBondContact CD-OG 3.18Å; C512-S515 PolarHBondContact O-N 3.28Å; I513-S515 VanDerWaalsContact C-N 3.34Å; I513-S515 PolarHBondContact O-N 3.44Å; S515-R517 PolarHBondContact O-N 2.87Å; S515-L518 WeakPolarHBondContact O-CA 3.42Å; S515-L518 WeakPolarHBondContact O-CB 3.3Å; S515-L518 PolarHBondContact O-N 2.78Å; S515-C519 PolarHBondContact O-N 3.42Å; S515-C519 VanDerWaalsContact O-N 3.14Å; S515-C519 PolarHBondContact O-SG 3.04Å
516C43.5Very low48.3Very low59 Ų5980.6 Ų80.640%0.39939%0.387SS..Hα-helixtrans-59.6-36.6-178.5-178.30000112.2C512 L518 C519 L520C512-C516 WeakPolarHBondContact O-CB 3.42Å; C512-C516 PolarHBondContact O-N 3.03Å; C516-L518 VanDerWaalsContact C-N 3.27Å; C516-L518 PolarHBondContact O-N 3.18Å; C516-C519 PolarHBondContact O-N 3.1Å; C516-L520 PolarHBondContact O-N 2.78Å
517R47Very low49.8Very low174 Ų17479.6 Ų79.666%0.65739%0.389SS*.Hα-helixtrans-61.5-36.6174.2-170.9176.7-67-135.3-1.2112.3S515 Q521S515-R517 PolarHBondContact O-N 2.87Å; R517-Q521 VanDerWaalsContact O-CG 3.26Å; R517-Q521 WeakPolarHBondContact O-CG 3.16Å; R517-Q521 PolarHBondContact O-N 3.41Å
518L44.1Very low51.1Low10 Ų1077.5 Ų77.55%0.05238%0.376CS..Hα-helixtrans-70.4-40.2-177.5-144.355000113.1A457 S515 C516 Q521 V522A457-L518 VanDerWaalsContact C-CD2 3.44Å; A457-L518 HydrophobicContact CB-CD2 3.29Å; A457-L518 HydrophobicContact CB-CG 3.86Å; A457-L518 WeakPolarHBondContact O-CD1 3.46Å; A457-L518 WeakPolarHBondContact O-CG 3.29Å; S515-L518 WeakPolarHBondContact O-CA 3.42Å; S515-L518 WeakPolarHBondContact O-CB 3.3Å; S515-L518 PolarHBondContact O-N 2.78Å; C516-L518 VanDerWaalsContact C-N 3.27Å; C516-L518 PolarHBondContact O-N 3.18Å; L518-Q521 WeakPolarHBondContact O-CB 3.43Å; L518-Q521 PolarHBondContact O-N 3.35Å; L518-V522 WeakPolarHBondContact O-CG2 3.27Å; L518-V522 PolarHBondContact O-N 2.88Å
519C48.3Very low51.9Low2 Ų270.4 Ų70.41%0.01434%0.344CS..Hα-helixtrans-66.8-45.8-179.2-64.40000112.3V493 K496 V497 S515 C516 Q521 V522 E523V493-C519 PolarHBondContact O-SG 3.48Å; K496-C519 PolarHBondContact O-SG 2.94Å; V497-C519 HydrophobicContact CB-CB 3.53Å; V497-C519 HydrophobicContact CG1-CB 4.08Å; V497-C519 VanDerWaalsContact CG2-CA 3.46Å; V497-C519 HydrophobicContact CG2-CB 3.13Å; V497-C519 WeakPolarHBondContact CG2-SG 3.16Å; V497-C519 PolarHBondContact N-SG 2.89Å; S515-C519 PolarHBondContact O-N 3.42Å; S515-C519 VanDerWaalsContact O-N 3.14Å; S515-C519 PolarHBondContact O-SG 3.04Å; C516-C519 PolarHBondContact O-N 3.1Å; C519-Q521 PolarHBondContact O-N 2.92Å; C519-V522 PolarHBondContact O-N 2.96Å; C519-E523 PolarHBondContact O-N 3.15Å
520L52.1Low52.9Low112 Ų11274.5 Ų74.559%0.58636%0.358SS*.Hα-helixtrans-59-39.9170.9-72.8166.9000110.4C516 E523 E524C516-L520 PolarHBondContact O-N 2.78Å; L520-E523 PolarHBondContact O-N 3.17Å; L520-E524 WeakPolarHBondContact O-CB 3.25Å; L520-E524 PolarHBondContact O-N 2.79Å
521Q53.9Low54Low70 Ų7078.5 Ų78.533%0.32736%0.361SS..Hα-helixtrans-63-43176.5-74.5170.8-12.900113V461 R517 L518 C519 A525V461-Q521 HydrophobicContact CG1-CB 4.28Å; R517-Q521 VanDerWaalsContact O-CG 3.26Å; R517-Q521 WeakPolarHBondContact O-CG 3.16Å; R517-Q521 PolarHBondContact O-N 3.41Å; L518-Q521 WeakPolarHBondContact O-CB 3.43Å; L518-Q521 PolarHBondContact O-N 3.35Å; C519-Q521 PolarHBondContact O-N 2.92Å; Q521-A525 WeakPolarHBondContact O-CB 3.3Å; Q521-A525 PolarHBondContact O-N 3.09Å
522V58Low55.3Low13 Ų1377.5 Ų77.58%0.07935%0.349CS..Hα-helixtrans-66.7-43.8178.4172.40000111.8V461 M484 L518 C519 A525 R526V461-V522 HydrophobicContact CB-CG2 4.47Å; V461-V522 HydrophobicContact CG1-CG2 3.7Å; V461-V522 HydrophobicContact CG2-CG2 3.88Å; M484-V522 HydrophobicContact CE-CB 4.3Å; M484-V522 HydrophobicContact CE-CG1 3.83Å; M484-V522 HydrophobicContact CE-CG2 4.2Å; L518-V522 WeakPolarHBondContact O-CG2 3.27Å; L518-V522 PolarHBondContact O-N 2.88Å; C519-V522 PolarHBondContact O-N 2.96Å; V522-A525 WeakPolarHBondContact O-CB 3.28Å; V522-R526 PolarHBondContact O-N 3.34Å
523E60.8Low56.2Low96 Ų9681.4 Ų81.445%0.44936%0.364SS..Hα-helixtrans-73.1-39.7-179.4-167.964-16100111.8C519 L520 R526 L527C519-E523 PolarHBondContact O-N 3.15Å; L520-E523 PolarHBondContact O-N 3.17Å; E523-R526 PolarHBondContact O-N 3.01Å; E523-L527 WeakPolarHBondContact O-CG 3.48Å; E523-L527 PolarHBondContact O-N 3.46Å
524E63.7Low57.2Low131 Ų13183.8 Ų83.861%0.61237%0.371SS*.Hα-helixtrans-63.1-45.8174.3-175.2170.7-156.200110.9L520 R526 L527 E528L520-E524 WeakPolarHBondContact O-CB 3.25Å; L520-E524 PolarHBondContact O-N 2.79Å; E524-R526 VanDerWaalsContact C-N 3.29Å; E524-R526 PolarHBondContact O-N 2.99Å; E524-L527 PolarHBondContact O-N 3.41Å; E524-E528 WeakPolarHBondContact O-CB 3.37Å; E524-E528 PolarHBondContact O-N 3.48Å
525A61Low58.5Low6 Ų679.9 Ų79.95%0.0536%0.361CS..Hα-helixtrans-51.5-4717000000111.3H465 M484 Q521 V522 E528 T529H465-A525 HydrophobicContact CB-CB 3.93Å; H465-A525 WeakPolarHBondContact CD2-CB 3.26Å; H465-A525 VanDerWaalsContact CE1-C 3.42Å; H465-A525 PolarHBondContact CE1-O 3.35Å; H465-A525 WeakPolarHBondContact ND1-CB 3.44Å; H465-A525 PolarHBondContact NE2-O 3.36Å; M484-A525 HydrophobicContact CE-CB 4.42Å; Q521-A525 WeakPolarHBondContact O-CB 3.3Å; Q521-A525 PolarHBondContact O-N 3.09Å; V522-A525 WeakPolarHBondContact O-CB 3.28Å; A525-E528 CarbonylContact O-C 3.52Å; A525-E528 WeakPolarHBondContact O-CA 3.36Å; A525-E528 VanDerWaalsContact O-CB 3.28Å; A525-E528 WeakPolarHBondContact O-CB 3.4Å; A525-E528 PolarHBondContact O-N 2.98Å; A525-T529 PolarHBondContact O-N 3.45Å; A525-T529 PolarHBondContact O-OG1 3.41Å; A525-T529 VanDerWaalsContact O-OG1 3.12Å
526R63.8Low59.6Low47 Ų4783.8 Ų83.818%0.17738%0.381CS..Hα-helixtrans-76.4-30.1-179.3-77.4-157.8162.4-177.9-0.7114.9E485 V522 E523 E524 E528 T529 K530E485-R526 IonicContact OE1-NH1 3.87Å; E485-R526 IonicContact OE2-CZ 2.77Å; E485-R526 IonicContact OE2-NH1 2.85Å; E485-R526 PolarHBondContact OE2-NH1 3.46Å; E485-R526 IonicContact OE2-NH2 3.89Å; E485-R526 PolarHBondContact OE2-NH2 3.2Å; V522-R526 PolarHBondContact O-N 3.34Å; E523-R526 PolarHBondContact O-N 3.01Å; E524-R526 VanDerWaalsContact C-N 3.29Å; E524-R526 PolarHBondContact O-N 2.99Å; R526-E528 PolarHBondContact O-N 2.8Å; R526-T529 PolarHBondContact O-N 3.39Å; R526-K530 VanDerWaalsContact O-CB 3.3Å; R526-K530 WeakPolarHBondContact O-CB 3.28Å; R526-K530 PolarHBondContact O-N 3.15Å
527L66.7Low60.6Low81 Ų8183.8 Ų83.842%0.42439%0.385SS..Hα-helixtrans-62.5-37166.8-74.6171.9000110.4E523 E524 R531E523-L527 WeakPolarHBondContact O-CG 3.48Å; E523-L527 PolarHBondContact O-N 3.46Å; E524-L527 PolarHBondContact O-N 3.41Å; L527-R531 VanDerWaalsContact O-CB 3.3Å; L527-R531 WeakPolarHBondContact O-CB 3.3Å; L527-R531 WeakPolarHBondContact O-CD 3.24Å; L527-R531 WeakPolarHBondContact O-CG 3.18Å; L527-R531 PolarHBondContact O-N 3.31Å
528E66.1Low61.7Low71 Ų7180.5 Ų80.533%0.33238%0.378SS..Hα-helixtrans-64.7-49.2171.3-162.8-178.4161.500110.9H465 R466 E524 A525 R526 K530 R531 R532H465-E528 IonicContact NE2-OE2 3.48Å; R466-E528 IonicContact NH1-OE1 3.84Å; R466-E528 PolarHBondContact NH1-OE1 2.81Å; R466-E528 IonicContact NH1-OE2 3.64Å; E524-E528 WeakPolarHBondContact O-CB 3.37Å; E524-E528 PolarHBondContact O-N 3.48Å; A525-E528 CarbonylContact O-C 3.52Å; A525-E528 WeakPolarHBondContact O-CA 3.36Å; A525-E528 VanDerWaalsContact O-CB 3.28Å; A525-E528 WeakPolarHBondContact O-CB 3.4Å; A525-E528 PolarHBondContact O-N 2.98Å; R526-E528 PolarHBondContact O-N 2.8Å; E528-K530 PolarHBondContact O-N 2.98Å; E528-R531 PolarHBondContact O-N 3.31Å; E528-R532 VanDerWaalsContact O-CB 3.22Å; E528-R532 WeakPolarHBondContact O-CB 3.47Å; E528-R532 PolarHBondContact O-N 2.84Å
529T63.9Low63Low18 Ų1884.4 Ų84.411%0.1140%0.396CS..Hα-helixtrans-56.7-49175.7-52.20000110.9H465 E468 A525 R526 R531 R532 K533H465-T529 PolarHBondContact CE1-OG1 3.25Å; H465-T529 PolarHBondContact ND1-OG1 3.16Å; E468-T529 WeakPolarHBondContact OE1-CG2 3.38Å; E468-T529 PolarHBondContact OE2-OG1 2.89Å; A525-T529 PolarHBondContact O-N 3.45Å; A525-T529 PolarHBondContact O-OG1 3.41Å; A525-T529 VanDerWaalsContact O-OG1 3.12Å; R526-T529 PolarHBondContact O-N 3.39Å; T529-R531 PolarHBondContact O-N 3.21Å; T529-R532 CarbonylContact O-C 3.44Å; T529-R532 PolarHBondContact O-N 3.45Å; T529-R532 VanDerWaalsContact O-N 3.16Å; T529-K533 HydrophobicContact CG2-CD 3.9Å; T529-K533 HydrophobicContact CG2-CG 4.12Å; T529-K533 WeakPolarHBondContact O-CB 3.46Å; T529-K533 PolarHBondContact O-N 3.36Å
530K64.8Low64Low160 Ų16087.8 Ų87.870%0.69642%0.416SS*.Hα-helixtrans-64.6-42.6-177.7-171.3174.6-177.9174.20111.5R526 E528 R532 K534R526-K530 VanDerWaalsContact O-CB 3.3Å; R526-K530 WeakPolarHBondContact O-CB 3.28Å; R526-K530 PolarHBondContact O-N 3.15Å; E528-K530 PolarHBondContact O-N 2.98Å; K530-R532 VanDerWaalsContact C-N 3.31Å; K530-R532 PolarHBondContact O-N 3.22Å; K530-K534 VanDerWaalsContact O-CB 3.24Å; K530-K534 WeakPolarHBondContact O-CB 3.38Å; K530-K534 PolarHBondContact O-N 3.24Å
531R68.5Low64.7Low179 Ų17989.7 Ų89.768%0.67542%0.416SS*.Hα-helixtrans-62.2-40.1173.5-74.4172.1-171.81744.8111.1L527 E528 T529 K534 Q535L527-R531 VanDerWaalsContact O-CB 3.3Å; L527-R531 WeakPolarHBondContact O-CB 3.3Å; L527-R531 WeakPolarHBondContact O-CD 3.24Å; L527-R531 WeakPolarHBondContact O-CG 3.18Å; L527-R531 PolarHBondContact O-N 3.31Å; E528-R531 PolarHBondContact O-N 3.31Å; T529-R531 PolarHBondContact O-N 3.21Å; R531-K534 PolarHBondContact O-N 3.22Å; R531-Q535 WeakPolarHBondContact O-CB 3.42Å; R531-Q535 PolarHBondContact O-N 2.97Å
532R66Low65.4Low102 Ų10291.6 Ų91.639%0.38542%0.423SS..Hα-helixtrans-76-44-177.5-159.3164.4-173.1126.53.9113.2L421 E528 T529 K530 K534 Q535 I536L421-R532 VanDerWaalsContact CD1-CZ 3.45Å; L421-R532 VanDerWaalsContact CD1-NH2 3.3Å; E528-R532 VanDerWaalsContact O-CB 3.22Å; E528-R532 WeakPolarHBondContact O-CB 3.47Å; E528-R532 PolarHBondContact O-N 2.84Å; T529-R532 CarbonylContact O-C 3.44Å; T529-R532 PolarHBondContact O-N 3.45Å; T529-R532 VanDerWaalsContact O-N 3.16Å; K530-R532 VanDerWaalsContact C-N 3.31Å; K530-R532 PolarHBondContact O-N 3.22Å; R532-K534 VanDerWaalsContact C-N 3.26Å; R532-K534 PolarHBondContact O-N 2.93Å; R532-Q535 WeakPolarHBondContact O-CB 3.28Å; R532-Q535 PolarHBondContact O-N 3.41Å; R532-I536 HydrophobicContact CG-CD1 4.25Å; R532-I536 WeakPolarHBondContact O-CG1 3.26Å; R532-I536 PolarHBondContact O-N 3.23Å
533K61.3Low66Low97 Ų9797.4 Ų97.442%0.42245%0.447SS..Hα-helixtrans-56.2-42.3169.6-78.7-178.6175.3171.50109.8E468 E481 T529 A537E468-K533 IonicContact OE1-NZ 2.65Å; E468-K533 PolarHBondContact OE1-NZ 3.09Å; E481-K533 VanDerWaalsContact CD-NZ 3.33Å; E481-K533 IonicContact OE1-NZ 2.78Å; E481-K533 PolarHBondContact OE1-NZ 3.35Å; E481-K533 IonicContact OE2-NZ 3.76Å; E481-K533 PolarHBondContact OE2-NZ 2.86Å; T529-K533 HydrophobicContact CG2-CD 3.9Å; T529-K533 HydrophobicContact CG2-CG 4.12Å; T529-K533 WeakPolarHBondContact O-CB 3.46Å; T529-K533 PolarHBondContact O-N 3.36Å; K533-A537 WeakPolarHBondContact O-CB 3.35Å; K533-A537 PolarHBondContact O-N 3.41Å
534K65.6Low66.3Low134 Ų13498.3 Ų98.358%0.58345%0.451SS*.Hα-helixtrans-63.4-41.9172.9-172.8174.9-179.2176.30112.6K530 R531 R532 M538K530-K534 VanDerWaalsContact O-CB 3.24Å; K530-K534 WeakPolarHBondContact O-CB 3.38Å; K530-K534 PolarHBondContact O-N 3.24Å; R531-K534 PolarHBondContact O-N 3.22Å; R532-K534 VanDerWaalsContact C-N 3.26Å; R532-K534 PolarHBondContact O-N 2.93Å; K534-M538 HydrophobicContact CD-CE 4.43Å; K534-M538 HydrophobicContact CG-CE 4.15Å; K534-M538 HydrophobicContact CG-SD 4.43Å; K534-M538 WeakPolarHBondContact O-CB 3.27Å; K534-M538 VanDerWaalsContact O-CG 3.25Å; K534-M538 WeakPolarHBondContact O-CG 3.34Å; K534-M538 PolarHBondContact O-N 2.9Å
535Q69Low66.5Low109 Ų10992.9 Ų92.951%0.50943%0.426SS..Hα-helixtrans-66.8-45.9177.9-174.2176.42.300112.5R531 R532 M538 E539R531-Q535 WeakPolarHBondContact O-CB 3.42Å; R531-Q535 PolarHBondContact O-N 2.97Å; R532-Q535 WeakPolarHBondContact O-CB 3.28Å; R532-Q535 PolarHBondContact O-N 3.41Å; Q535-M538 CarbonylContact O-C 3.59Å; Q535-M538 WeakPolarHBondContact O-CB 3.2Å; Q535-M538 PolarHBondContact O-N 3.29Å; Q535-E539 PolarHBondContact O-N 3Å
536I64.4Low66.9Low89 Ų89100.3 Ų100.346%0.45645%0.453SS..Hα-helixtrans-62.3-45.1176.1-66167.4000109.8R532 M538 E539 V540R532-I536 HydrophobicContact CG-CD1 4.25Å; R532-I536 WeakPolarHBondContact O-CG1 3.26Å; R532-I536 PolarHBondContact O-N 3.23Å; I536-M538 VanDerWaalsContact C-N 3.31Å; I536-M538 PolarHBondContact O-N 3.2Å; I536-E539 PolarHBondContact O-N 3.09Å; I536-E539 VanDerWaalsContact O-N 3.15Å; I536-V540 HydrophobicContact CG2-CG2 4.27Å; I536-V540 WeakPolarHBondContact O-CB 3.32Å; I536-V540 WeakPolarHBondContact O-CG2 3.21Å; I536-V540 PolarHBondContact O-N 3.42Å
537A64.3Low66.9Low59 Ų59109 Ų10949%0.48849%0.486SS..Hα-helixtrans-59.9-41.4174.500000111.8K533 R541K533-A537 WeakPolarHBondContact O-CB 3.35Å; K533-A537 PolarHBondContact O-N 3.41Å; A537-R541 WeakPolarHBondContact O-CB 3.02Å; A537-R541 PolarHBondContact O-N 3.42Å
538M69.2Low66.6Low104 Ų104110.8 Ų110.851%0.51250%0.495SS..Hα-helixtrans-64.5-37.6174-78.7179.417200112.7K534 Q535 I536 K542K534-M538 HydrophobicContact CD-CE 4.43Å; K534-M538 HydrophobicContact CG-CE 4.15Å; K534-M538 HydrophobicContact CG-SD 4.43Å; K534-M538 WeakPolarHBondContact O-CB 3.27Å; K534-M538 VanDerWaalsContact O-CG 3.25Å; K534-M538 WeakPolarHBondContact O-CG 3.34Å; K534-M538 PolarHBondContact O-N 2.9Å; Q535-M538 CarbonylContact O-C 3.59Å; Q535-M538 WeakPolarHBondContact O-CB 3.2Å; Q535-M538 PolarHBondContact O-N 3.29Å; I536-M538 VanDerWaalsContact C-N 3.31Å; I536-M538 PolarHBondContact O-N 3.2Å; M538-K542 WeakPolarHBondContact O-CB 3.24Å; M538-K542 WeakPolarHBondContact O-CG 3.38Å; M538-K542 PolarHBondContact O-N 2.86Å
539E72.5Confident66.4Low93 Ų93108.2 Ų108.244%0.43549%0.488SS..Hα-helixtrans-72-43.5176.6-80.4-173.1-175.500112.9Q535 I536 R541 K542 K543Q535-E539 PolarHBondContact O-N 3Å; I536-E539 PolarHBondContact O-N 3.09Å; I536-E539 VanDerWaalsContact O-N 3.15Å; E539-R541 VanDerWaalsContact C-N 3.31Å; E539-K542 PolarHBondContact O-N 3.34Å; E539-K543 WeakPolarHBondContact O-CB 3.44Å; E539-K543 WeakPolarHBondContact O-CG 2.9Å; E539-K543 PolarHBondContact O-N 3.28Å
540V68Low66.7Low72 Ų72110.2 Ų110.244%0.43650%0.497SS..Hα-helixtrans-60.7-45.4173.91720000109.3I536 K542 K543 Q544I536-V540 HydrophobicContact CG2-CG2 4.27Å; I536-V540 WeakPolarHBondContact O-CB 3.32Å; I536-V540 WeakPolarHBondContact O-CG2 3.21Å; I536-V540 PolarHBondContact O-N 3.42Å; V540-K542 PolarHBondContact O-N 3.48Å; V540-K543 PolarHBondContact O-N 2.96Å; V540-Q544 HydrophobicContact CG1-CG 4.48Å; V540-Q544 WeakPolarHBondContact O-CB 3.37Å; V540-Q544 WeakPolarHBondContact O-CG 3.5Å; V540-Q544 PolarHBondContact O-N 2.9Å
541R66.8Low66.7Low152 Ų152106.6 Ų106.657%0.57448%0.483SS*.Hα-helixtrans-60.6-44.8174.3-173.8171.5178.3159.6-0.4111.8A537 E539 K543 Q544 L545A537-R541 WeakPolarHBondContact O-CB 3.02Å; A537-R541 PolarHBondContact O-N 3.42Å; E539-R541 VanDerWaalsContact C-N 3.31Å; R541-K543 PolarHBondContact O-N 2.89Å; R541-Q544 PolarHBondContact O-N 3.23Å; R541-L545 HydrophobicContact CG-CD1 3.97Å; R541-L545 VanDerWaalsContact O-CB 3.31Å; R541-L545 WeakPolarHBondContact O-CB 3.43Å; R541-L545 WeakPolarHBondContact O-CD1 3.28Å; R541-L545 WeakPolarHBondContact O-CG 3.5Å; R541-L545 PolarHBondContact O-N 2.88Å
542K68.8Low66.3Low111 Ų111100.5 Ų100.548%0.48346%0.463SS..Hα-helixtrans-61.8-41174.2-83.6-178.5178.7-178.10112.3M538 E539 V540 R546 L552M538-K542 WeakPolarHBondContact O-CB 3.24Å; M538-K542 WeakPolarHBondContact O-CG 3.38Å; M538-K542 PolarHBondContact O-N 2.86Å; E539-K542 PolarHBondContact O-N 3.34Å; V540-K542 PolarHBondContact O-N 3.48Å; K542-R546 WeakPolarHBondContact O-CB 3.37Å; K542-R546 WeakPolarHBondContact O-CG 3.49Å; K542-R546 PolarHBondContact O-N 3.46Å; K542-L552 HydrophobicContact CG-CD1 4.35Å
543K71.4Confident66Low134 Ų13498 Ų9858%0.58346%0.459SS*.Hα-helixtrans-66.7-44.1177.4-76.7174.4-178.7171.10111.5E539 V540 R541 R546 R547E539-K543 WeakPolarHBondContact O-CB 3.44Å; E539-K543 WeakPolarHBondContact O-CG 2.9Å; E539-K543 PolarHBondContact O-N 3.28Å; V540-K543 PolarHBondContact O-N 2.96Å; R541-K543 PolarHBondContact O-N 2.89Å; K543-R546 PolarHBondContact O-N 3.28Å; K543-R547 WeakPolarHBondContact O-CG 2.99Å; K543-R547 PolarHBondContact O-N 2.87Å
544Q66.8Low66Low115 Ų115102.1 Ų102.154%0.53749%0.486SS..Hα-helixtrans-63.4-45.7175.1-78.4179.1-32.100111.4V540 R541 R546 R547 L548V540-Q544 HydrophobicContact CG1-CG 4.48Å; V540-Q544 WeakPolarHBondContact O-CB 3.37Å; V540-Q544 WeakPolarHBondContact O-CG 3.5Å; V540-Q544 PolarHBondContact O-N 2.9Å; R541-Q544 PolarHBondContact O-N 3.23Å; Q544-R546 VanDerWaalsContact C-N 3.34Å; Q544-R546 PolarHBondContact O-N 3.34Å; Q544-R547 WeakPolarHBondContact O-CB 3.33Å; Q544-R547 PolarHBondContact O-N 3Å; Q544-R547 VanDerWaalsContact O-N 3.16Å; Q544-L548 WeakPolarHBondContact O-CG 3.35Å; Q544-L548 PolarHBondContact O-N 3.27Å
545L67.2Low65.7Low17 Ų17100.8 Ų100.89%0.08949%0.493CS..Hα-helixtrans-58.6-45.3174.8-75.5166.1000111.2R541 R547 L548 G549 M550 L552 I558R541-L545 HydrophobicContact CG-CD1 3.97Å; R541-L545 VanDerWaalsContact O-CB 3.31Å; R541-L545 WeakPolarHBondContact O-CB 3.43Å; R541-L545 WeakPolarHBondContact O-CD1 3.28Å; R541-L545 WeakPolarHBondContact O-CG 3.5Å; R541-L545 PolarHBondContact O-N 2.88Å; L545-R547 VanDerWaalsContact C-N 3.33Å; L545-R547 PolarHBondContact O-N 3.39Å; L545-L548 CarbonylContact O-C 3.46Å; L545-L548 WeakPolarHBondContact O-CA 3.22Å; L545-L548 WeakPolarHBondContact O-CB 3.17Å; L545-L548 PolarHBondContact O-N 2.86Å; L545-G549 PolarHBondContact O-N 2.9Å; L545-G549 VanDerWaalsContact O-N 3.12Å; L545-M550 CarbonylContact C-O 3.53Å; L545-M550 HydrophobicContact CB-CB 4.17Å; L545-M550 HydrophobicContact CD2-CB 3.94Å; L545-M550 HydrophobicContact CD2-SD 4.11Å; L545-M550 WeakPolarHBondContact O-CA 3.47Å; L545-M550 PolarHBondContact O-N 2.69Å; L545-L552 HydrophobicContact CD1-CD1 3.39Å; L545-L552 HydrophobicContact CD1-CG 4.17Å; L545-I558 HydrophobicContact CD2-CD1 4.21Å; L545-I558 HydrophobicContact CD2-CG2 4.17Å
546R69.2Low64.7Low163 Ų16398 Ų9862%0.61549%0.494SS*.Hα-helixtrans-61.4-39.2176-78.7-180175.5-173.7-0.7112.8K542 K543 Q544 L548 G549 M550K542-R546 WeakPolarHBondContact O-CB 3.37Å; K542-R546 WeakPolarHBondContact O-CG 3.49Å; K542-R546 PolarHBondContact O-N 3.46Å; K543-R546 PolarHBondContact O-N 3.28Å; Q544-R546 VanDerWaalsContact C-N 3.34Å; Q544-R546 PolarHBondContact O-N 3.34Å; R546-L548 PolarHBondContact O-N 3.44Å; R546-G549 PolarHBondContact O-N 3.05Å; R546-M550 WeakPolarHBondContact CA-O 3.27Å; R546-M550 PolarHBondContact N-O 3.36Å; R546-M550 VanDerWaalsContact N-O 3.13Å
547R65.5Low64Low230 Ų23096.2 Ų96.287%0.86849%0.492SS*.Hα-helixtrans-62.4-31.7173.4-76.5-177.7179.3-176.10.2112.3K543 Q544 L545 G549K543-R547 WeakPolarHBondContact O-CG 2.99Å; K543-R547 PolarHBondContact O-N 2.87Å; Q544-R547 WeakPolarHBondContact O-CB 3.33Å; Q544-R547 PolarHBondContact O-N 3Å; Q544-R547 VanDerWaalsContact O-N 3.16Å; L545-R547 VanDerWaalsContact C-N 3.33Å; L545-R547 PolarHBondContact O-N 3.39Å; R547-G549 VanDerWaalsContact C-N 3.27Å
548L60.3Low63.3Low117 Ų11797.4 Ų97.461%0.61349%0.49SS*.THydrogen-bonded Turntrans-832.6173.3-66.6165.8000113.3Q544 L545 R546 M550Q544-L548 WeakPolarHBondContact O-CG 3.35Å; Q544-L548 PolarHBondContact O-N 3.27Å; L545-L548 CarbonylContact O-C 3.46Å; L545-L548 WeakPolarHBondContact O-CA 3.22Å; L545-L548 WeakPolarHBondContact O-CB 3.17Å; L545-L548 PolarHBondContact O-N 2.86Å; R546-L548 PolarHBondContact O-N 3.44Å; L548-M550 VanDerWaalsContact C-N 3.35Å
549G61.6Low62.9Low18 Ų1895.6 Ų95.619%0.18648%0.484CS..THydrogen-bonded Turntrans77.117.7-178.100000114.6L545 R546 R547 C561 S562L545-G549 PolarHBondContact O-N 2.9Å; L545-G549 VanDerWaalsContact O-N 3.12Å; R546-G549 PolarHBondContact O-N 3.05Å; R547-G549 VanDerWaalsContact C-N 3.27Å; G549-C561 PolarHBondContact O-N 3.2Å; G549-S562 PolarHBondContact O-N 3.47Å
550M69.7Low62.1Low60 Ų6093.4 Ų93.430%0.29648%0.475SS..EExtended strand (participates in β ladder)trans-113.3153.2-179.1-61.8179.6179.500111.8L545 R546 L548 I558 V559 I560L545-M550 CarbonylContact C-O 3.53Å; L545-M550 HydrophobicContact CB-CB 4.17Å; L545-M550 HydrophobicContact CD2-CB 3.94Å; L545-M550 HydrophobicContact CD2-SD 4.11Å; L545-M550 WeakPolarHBondContact O-CA 3.47Å; L545-M550 PolarHBondContact O-N 2.69Å; R546-M550 WeakPolarHBondContact CA-O 3.27Å; R546-M550 PolarHBondContact N-O 3.36Å; R546-M550 VanDerWaalsContact N-O 3.13Å; L548-M550 VanDerWaalsContact C-N 3.35Å; M550-I558 HydrophobicContact CB-CG2 3.76Å; M550-I558 HydrophobicContact CG-CG2 4.13Å; M550-I558 HydrophobicContact SD-CG2 3.86Å; M550-V559 CarbonylContact C-O 3.51Å; M550-V559 WeakPolarHBondContact CA-O 3.06Å; M550-I560 HydrophobicContact CE-CG1 4.46Å; M550-I560 HydrophobicContact CG-CG1 4.12Å
551Q64.7Low61.5Low84 Ų8492.3 Ų92.339%0.39347%0.47SS..EExtended strand (participates in β ladder)trans-140.2138.9179.3-165.6168.5-500110.6V559 C561Q551-V559 PolarHBondContact N-O 3.49Å; Q551-V559 PolarHBondContact O-N 2.91Å; Q551-C561 WeakPolarHBondContact CB-SG 3.3Å; Q551-C561 PolarHBondContact OE1-SG 2.88Å
552L59.9Low60.9Low50 Ų5086.9 Ų86.926%0.26246%0.455SS..EExtended strand (participates in β ladder)trans-78.6130.3172.3-100.7136.7000110.5K542 L545 G556K542-L552 HydrophobicContact CG-CD1 4.35Å; L545-L552 HydrophobicContact CD1-CD1 3.39Å; L545-L552 HydrophobicContact CD1-CG 4.17Å; L552-G556 WeakPolarHBondContact CD2-O 3.12Å
553T59Low60.2Low50 Ų5087.3 Ų87.331%0.30746%0.463SS..  trans-78.4164166.452.50000111.3S555 G556 A557 V559T553-S555 PolarHBondContact O-N 3.24Å; T553-S555 PolarHBondContact OG1-OG 2.87Å; T553-G556 PolarHBondContact O-N 3Å; T553-A557 PolarHBondContact N-O 3.23Å; T553-A557 WeakPolarHBondContact OG1-CB 3.25Å; T553-A557 PolarHBondContact OG1-N 3.27Å; T553-A557 PolarHBondContact OG1-O 3.31Å; T553-V559 HydrophobicContact CG2-CB 4.19Å; T553-V559 HydrophobicContact CG2-CG2 3.34Å
554D62.7Low59.1Low183 Ų18390.9 Ų90.998%0.97947%0.473SS*.THydrogen-bonded Turntrans-62.4-21.5178.5-63.1-29.3000113G556D554-G556 VanDerWaalsContact C-N 3.33Å
555S59.1Low58.1Low106 Ų10688.5 Ų88.574%0.74146%0.463SS*.THydrogen-bonded Turntrans-84.5-1174.657.60000114.1T553T553-S555 PolarHBondContact O-N 3.24Å; T553-S555 PolarHBondContact OG1-OG 2.87Å
556G47.7Very low57Low50 Ų5092.3 Ų92.352%0.51548%0.479SS..SBendtrans88-1.1-178.800000114.9L552 T553 D554L552-G556 WeakPolarHBondContact CD2-O 3.12Å; T553-G556 PolarHBondContact O-N 3Å; D554-G556 VanDerWaalsContact C-N 3.33Å
557A50.8Low55.9Low52 Ų5291.9 Ų91.943%0.4348%0.484SS..  trans-80146.1175.700000111.9T553T553-A557 PolarHBondContact N-O 3.23Å; T553-A557 WeakPolarHBondContact OG1-CB 3.25Å; T553-A557 PolarHBondContact OG1-N 3.27Å; T553-A557 PolarHBondContact OG1-O 3.31Å
558I49.3Very low54.8Low85 Ų8588 Ų8844%0.43647%0.474SS..EExtended strand (participates in β ladder)trans-90.1120.2178.4-58.4172.6000108.8L545 M550L545-I558 HydrophobicContact CD2-CD1 4.21Å; L545-I558 HydrophobicContact CD2-CG2 4.17Å; M550-I558 HydrophobicContact CB-CG2 3.76Å; M550-I558 HydrophobicContact CG-CG2 4.13Å; M550-I558 HydrophobicContact SD-CG2 3.86Å
559V60.1Low53.9Low65 Ų6586.4 Ų86.439%0.39447%0.469SS..EExtended strand (participates in β ladder)trans-111.2139.5176.8173.70000109.6M550 Q551 T553M550-V559 CarbonylContact C-O 3.51Å; M550-V559 WeakPolarHBondContact CA-O 3.06Å; Q551-V559 PolarHBondContact N-O 3.49Å; Q551-V559 PolarHBondContact O-N 2.91Å; T553-V559 HydrophobicContact CG2-CB 4.19Å; T553-V559 HydrophobicContact CG2-CG2 3.34Å
560I56.7Low52.8Low47 Ų4794.2 Ų94.224%0.24150%0.501CS..EExtended strand (participates in β ladder)trans-86.6124178.5-63162.7000109.5M550 L565 T569M550-I560 HydrophobicContact CE-CG1 4.46Å; M550-I560 HydrophobicContact CG-CG1 4.12Å; I560-L565 HydrophobicContact CG2-CB 3.25Å; I560-L565 HydrophobicContact CG2-CD1 3.87Å; I560-L565 HydrophobicContact CG2-CG 4.17Å; I560-T569 HydrophobicContact CD1-CG2 3.66Å
561C54.6Low51.5Low50 Ų5095.6 Ų95.634%0.33851%0.512SS..  trans-108.9-12.6-173.6-69.90000114.4G549 Q551 D563G549-C561 PolarHBondContact O-N 3.2Å; Q551-C561 WeakPolarHBondContact CB-SG 3.3Å; Q551-C561 PolarHBondContact OE1-SG 2.88Å; C561-D563 PolarHBondContact O-N 3.45Å
562S53.9Low50.3Low37 Ų3795.3 Ų95.326%0.25953%0.525SS..  trans-64.7122.2171.51580000109.4G549 R564 L565 K566G549-S562 PolarHBondContact O-N 3.47Å; S562-R564 PolarHBondContact O-N 3.14Å; S562-R564 PolarHBondContact OG-N 3.49Å; S562-L565 CarbonylContact O-C 3.55Å; S562-L565 WeakPolarHBondContact O-CA 3.25Å; S562-L565 PolarHBondContact O-N 3.48Å; S562-L565 PolarHBondContact OG-N 2.85Å; S562-K566 PolarHBondContact O-N 3.13Å
563D53.5Low49.2Very low121 Ų121102.8 Ų102.865%0.64756%0.555SS**Hα-helixtrans-59.8-33.3174.8-69.2-30.6000111.2C561 L565 K566 E567C561-D563 PolarHBondContact O-N 3.45Å; D563-L565 PolarHBondContact O-N 3.42Å; D563-K566 PolarHBondContact O-N 2.75Å; D563-K566 IonicContact OD1-NZ 2.81Å; D563-E567 PolarHBondContact O-N 3.4Å
564R50Low48.4Very low209 Ų209107.6 Ų107.679%0.78957%0.574SS**Hα-helixtrans-63.2-27.5171.2-93.3-172.8158-169.5-5.8113.8S562 F568S562-R564 PolarHBondContact O-N 3.14Å; S562-R564 PolarHBondContact OG-N 3.49Å; R564-F568 WeakPolarHBondContact O-CD2 3.49Å
565L45.6Very low47.7Very low64 Ų64100.4 Ų100.434%0.33554%0.538SS..Hα-helixtrans-97.2-21.3176.6-70.6164.6000112.4I560 S562 D563 E567 F568 T569I560-L565 HydrophobicContact CG2-CB 3.25Å; I560-L565 HydrophobicContact CG2-CD1 3.87Å; I560-L565 HydrophobicContact CG2-CG 4.17Å; S562-L565 CarbonylContact O-C 3.55Å; S562-L565 WeakPolarHBondContact O-CA 3.25Å; S562-L565 PolarHBondContact O-N 3.48Å; S562-L565 PolarHBondContact OG-N 2.85Å; D563-L565 PolarHBondContact O-N 3.42Å; L565-E567 VanDerWaalsContact C-N 3.3Å; L565-F568 WeakPolarHBondContact O-CA 3.24Å; L565-F568 WeakPolarHBondContact O-CB 3.41Å; L565-F568 PolarHBondContact O-N 3.47Å; L565-T569 PolarHBondContact O-N 3.11Å; L565-T569 VanDerWaalsContact O-N 3.1Å; L565-T569 PolarHBondContact O-OG1 3.44Å
566K43.1Very low47.8Very low97 Ų97103.9 Ų103.942%0.42254%0.542SS..Hα-helixtrans-63.5-38.9170.6-80.6-177.2-179.9168.70111.6S562 D563 F568 T569 E570S562-K566 PolarHBondContact O-N 3.13Å; D563-K566 PolarHBondContact O-N 2.75Å; D563-K566 IonicContact OD1-NZ 2.81Å; K566-F568 PolarHBondContact O-N 3.42Å; K566-T569 WeakPolarHBondContact CA-OG1 3.37Å; K566-T569 PolarHBondContact O-N 2.97Å; K566-T569 PolarHBondContact O-OG1 2.98Å; K566-T569 VanDerWaalsContact O-OG1 3.06Å; K566-E570 PolarHBondContact O-N 3.11Å; K566-E570 VanDerWaalsContact O-N 3.1Å
567E46.2Very low49.1Very low154 Ų154103.2 Ų103.272%0.7253%0.527SS*.Hα-helixtrans-59.4-23.8169.9-76.4-176.3166.800112.7D563 L565D563-E567 PolarHBondContact O-N 3.4Å; L565-E567 VanDerWaalsContact C-N 3.3Å
568F43Very low50.7Low150 Ų150102.6 Ų102.666%0.65852%0.516SS*.Hα-helixtrans-83.9-30.3171.8-77.5-81.8000113.4R564 L565 K566 V571R564-F568 WeakPolarHBondContact O-CD2 3.49Å; L565-F568 WeakPolarHBondContact O-CA 3.24Å; L565-F568 WeakPolarHBondContact O-CB 3.41Å; L565-F568 PolarHBondContact O-N 3.47Å; K566-F568 PolarHBondContact O-N 3.42Å; F568-V571 WeakPolarHBondContact O-CB 3.48Å; F568-V571 WeakPolarHBondContact O-CG2 3.48Å
569T40.5Very low52.4Low82 Ų8298.6 Ų98.650%0.50350%0.496SS..Hα-helixtrans-83.5-24.4-179.142.40000115.3I560 L565 K566 V571I560-T569 HydrophobicContact CD1-CG2 3.66Å; L565-T569 PolarHBondContact O-N 3.11Å; L565-T569 VanDerWaalsContact O-N 3.1Å; L565-T569 PolarHBondContact O-OG1 3.44Å; K566-T569 WeakPolarHBondContact CA-OG1 3.37Å; K566-T569 PolarHBondContact O-N 2.97Å; K566-T569 PolarHBondContact O-OG1 2.98Å; K566-T569 VanDerWaalsContact O-OG1 3.06Å; T569-V571 PolarHBondContact O-N 3.48Å
570E39.8Very low53.6Low182 Ų18298.2 Ų98.285%0.8549%0.493SS*.THydrogen-bonded Turntrans-76.7-2.2172.9-78.8-168.7168.700113.1K566 A572K566-E570 PolarHBondContact O-N 3.11Å; K566-E570 VanDerWaalsContact O-N 3.1Å; E570-A572 VanDerWaalsContact C-N 3.32Å; E570-A572 PolarHBondContact O-N 3.5Å
571V41.1Very low54.9Low89 Ų8999.2 Ų99.254%0.53950%0.499SS..SBendtrans-66.697.9167.7-1740000107.7F568 T569 K573F568-V571 WeakPolarHBondContact O-CB 3.48Å; F568-V571 WeakPolarHBondContact O-CG2 3.48Å; T569-V571 PolarHBondContact O-N 3.48Å; V571-K573 PolarHBondContact O-N 3.13Å
572A39.7Very low56.3Low79 Ų7999.1 Ų99.165%0.65350%0.498SS*.  trans-2.3113.2168.800000114.2E570 E574E570-A572 VanDerWaalsContact C-N 3.32Å; E570-A572 PolarHBondContact O-N 3.5Å; A572-E574 WeakPolarHBondContact O-CA 3.48Å; A572-E574 PolarHBondContact O-N 2.87Å
573K36.6Very low57.5Low207 Ų207107 Ų10790%0.952%0.522SS*.SBendtrans-290.7165.4-80.3-176.8173.8-176.50109.7V571 S575V571-K573 PolarHBondContact O-N 3.13Å; K573-S575 PolarHBondContact O-N 3.13Å
574E41.8Very low58.8Low151 Ų151104.6 Ų104.671%0.70651%0.507SS*.  trans-49.2108.6-172.7-71.6-177153.400107A572 E576A572-E574 WeakPolarHBondContact O-CA 3.48Å; A572-E574 PolarHBondContact O-N 2.87Å; E574-E576 PolarHBondContact O-N 3.35Å; E574-E576 VanDerWaalsContact O-N 3.07Å
575S49.5Very low59.8Low31 Ų3196.2 Ų96.222%0.21748%0.48CS..  trans-59.1118.816450.20000104.4K573 L577 N578 S585K573-S575 PolarHBondContact O-N 3.13Å; S575-L577 PolarHBondContact O-N 3.25Å; S575-N578 VanDerWaalsContact O-CG 3.23Å; S575-N578 PolarHBondContact O-ND2 2.85Å; S575-N578 PolarHBondContact O-OD1 3.17Å; S575-N578 PolarHBondContact OG-OD1 3.04Å; S575-N578 VanDerWaalsContact OG-OD1 3.1Å; S575-S585 WeakPolarHBondContact OG-CB 3.4Å
576E60.1Low60.9Low179 Ų17994.8 Ų94.884%0.83647%0.473SS*.SBendtrans-56.4-18.3-169.5-65.1178.3162.500112.9E574 N578E574-E576 PolarHBondContact O-N 3.35Å; E574-E576 VanDerWaalsContact O-N 3.07Å; E576-N578 PolarHBondContact O-N 3.37Å
577L76.2Confident62Low36 Ų3696.4 Ų96.419%0.18849%0.485CS..  trans-99.871.3179.2-58.9176.8000112.4S575 L596 L624 A626 L663S575-L577 PolarHBondContact O-N 3.25Å; L577-L596 HydrophobicContact CD2-CD2 3.88Å; L577-L624 HydrophobicContact CD2-CD2 4.33Å; L577-A626 HydrophobicContact CB-CB 4.39Å; L577-L663 HydrophobicContact CB-CD1 4.42Å; L577-L663 HydrophobicContact CD1-CD1 4.01Å; L577-L663 HydrophobicContact CD1-CD2 4.46Å
578N82.9Confident62.8Low40 Ų4091.9 Ų91.921%0.21448%0.479CS..BIsolated β-bridgetrans-96.6150.8170.5-62.2-29.2000110.7S575 E576 V580 E584 S585S575-N578 VanDerWaalsContact O-CG 3.23Å; S575-N578 PolarHBondContact O-ND2 2.85Å; S575-N578 PolarHBondContact O-OD1 3.17Å; S575-N578 PolarHBondContact OG-OD1 3.04Å; S575-N578 VanDerWaalsContact OG-OD1 3.1Å; E576-N578 PolarHBondContact O-N 3.37Å; N578-V580 PolarHBondContact O-N 3.32Å; N578-E584 WeakPolarHBondContact CA-O 3.48Å; N578-S585 WeakPolarHBondContact OD1-CA 3.48Å; N578-S585 WeakPolarHBondContact OD1-CB 3.31Å
579C86Confident64.1Low1 Ų188 Ų881%0.00747%0.465CS..BIsolated β-bridgetrans-62.2123.7173.2176.60000110.5I581 C582 R583 E584 I594 A626 H628C579-I581 PolarHBondContact O-N 3.09Å; C579-C582 WeakPolarHBondContact CB-SG 3.46Å; C579-C582 PolarHBondContact SG-SG 2.97Å; C579-R583 WeakPolarHBondContact O-CA 3.47Å; C579-R583 PolarHBondContact O-N 3.28Å; C579-E584 PolarHBondContact N-O 2.88Å; C579-I594 HydrophobicContact CB-CD1 4.33Å; C579-A626 CarbonylContact C-O 3.51Å; C579-A626 VanDerWaalsContact CA-O 3.29Å; C579-A626 WeakPolarHBondContact CA-O 3.15Å; C579-H628 PolarHBondContact SG-N 3.44Å
580V85.8Confident65.2Low56 Ų5685.2 Ų85.234%0.33945%0.449SS..THydrogen-bonded Turntrans-57.7-27.7-177.9176.30000113.1N578 N625 A626 H651N578-V580 PolarHBondContact O-N 3.32Å; V580-N625 HydrophobicContact CG2-CB 3.82Å; V580-A626 WeakPolarHBondContact CG2-O 3.11Å; V580-A626 PolarHBondContact N-O 3.2Å; V580-H651 WeakPolarHBondContact CG1-O 3.4Å
581I83.9Confident66.7Low69 Ų6984 Ų8435%0.35444%0.441SS..THydrogen-bonded Turntrans-90.2-59.5-178-58.8-170.8000112.2C579 I627 C631 A635C579-I581 PolarHBondContact O-N 3.09Å; I581-I627 HydrophobicContact CD1-CD1 3.64Å; I581-I627 HydrophobicContact CG1-CD1 3.96Å; I581-C631 HydrophobicContact CB-CB 4.2Å; I581-C631 HydrophobicContact CD1-CB 4.29Å; I581-A635 HydrophobicContact CD1-CB 3.56Å
582C82.9Confident68.3Low48 Ų4882.1 Ų82.132%0.32443%0.425SS..THydrogen-bonded Turntrans-89.2-7.2-175.562.60000114C579 E584 H628C579-C582 WeakPolarHBondContact CB-SG 3.46Å; C579-C582 PolarHBondContact SG-SG 2.97Å; C582-E584 HydrophobicContact CB-CG 4.22Å; C582-E584 PolarHBondContact O-N 3.48Å; C582-E584 PolarHBondContact SG-OE2 2.88Å; C582-H628 PolarHBondContact SG-ND1 3.06Å
583R80.2Confident70.2Confident203 Ų20381 Ų8177%0.76641%0.412SS*.  trans5713.1-177.7-56.7-173.3177.4-166.9-1.9115.2C579C579-R583 WeakPolarHBondContact O-CA 3.47Å; C579-R583 PolarHBondContact O-N 3.28Å
584E79.9Confident72.6Confident70 Ų7071.3 Ų71.333%0.32737%0.369SS..  trans-70.4135172.5-69.5173.5157.400109.8N578 C579 C582 K592 H628N578-E584 WeakPolarHBondContact CA-O 3.48Å; C579-E584 PolarHBondContact N-O 2.88Å; C582-E584 HydrophobicContact CB-CG 4.22Å; C582-E584 PolarHBondContact O-N 3.48Å; C582-E584 PolarHBondContact SG-OE2 2.88Å; E584-K592 IonicContact OE2-NZ 3.19Å; E584-K592 PolarHBondContact OE2-NZ 3.45Å; E584-H628 IonicContact OE2-CE1 3.14Å; E584-H628 PolarHBondContact OE2-CE1 3.1Å; E584-H628 IonicContact OE2-ND1 3.99Å
585S70.4Confident74.9Confident32 Ų3264.1 Ų64.122%0.22434%0.336CS..BIsolated β-bridgetrans-82.2153.517657.80000112.7S575 N578 I587 G588 N589S575-S585 WeakPolarHBondContact OG-CB 3.4Å; N578-S585 WeakPolarHBondContact OD1-CA 3.48Å; N578-S585 WeakPolarHBondContact OD1-CB 3.31Å; S585-I587 PolarHBondContact O-N 3Å; S585-G588 PolarHBondContact O-N 3.31Å; S585-G588 VanDerWaalsContact O-N 3.09Å; S585-G588 PolarHBondContact OG-N 3.16Å; S585-N589 PolarHBondContact O-N 3.37Å
586L68.3Low77Confident35 Ų3562.6 Ų62.618%0.18333%0.325CS..THydrogen-bonded Turntrans-56-35.1170.7-174.674.5000111.8P590 I594L586-P590 WeakPolarHBondContact O-CA 3.35Å; L586-I594 HydrophobicContact CD1-CG2 3.34Å
587I67.5Low78.6Confident131 Ų13154.1 Ų54.167%0.67229%0.286SS*.THydrogen-bonded Turntrans-71.8-37.6178.4-55.8174.8000111S585S585-I587 PolarHBondContact O-N 3Å
588G63.5Low79.5Confident59 Ų5952.5 Ų52.561%0.60828%0.277SS*.THydrogen-bonded Turntrans-70.9-28.9-177.500000113.7S585S585-G588 PolarHBondContact O-N 3.31Å; S585-G588 VanDerWaalsContact O-N 3.09Å; S585-G588 PolarHBondContact OG-N 3.16Å
589N69Low80Confident68 Ų6852.2 Ų52.236%0.36427%0.274SS..SBendtrans-140.270.4179.6-139.5-22000112.4S585 K591 K592S585-N589 PolarHBondContact O-N 3.37Å; N589-K591 PolarHBondContact O-N 3.33Å; N589-K592 HydrophobicContact CB-CB 4.48Å; N589-K592 PolarHBondContact O-N 3.05Å; N589-K592 VanDerWaalsContact O-N 3.1Å
590P65.2Low80.4Confident24 Ų2452.2 Ų52.216%0.15627%0.274CS..THydrogen-bonded Turntrans-67.7-10.8-164.927.8-37.1000115.2L586 P666 Q667L586-P590 WeakPolarHBondContact O-CA 3.35Å; P590-P666 HydrophobicContact CB-CG 3.78Å; P590-Q667 HydrophobicContact CB-CB 4.11Å; P590-Q667 HydrophobicContact CB-CG 4.01Å; P590-Q667 HydrophobicContact CG-CB 4.49Å; P590-Q667 HydrophobicContact CG-CG 4.12Å
591K69.6Low80.7Confident157 Ų15752.5 Ų52.568%0.68327%0.271SS*.THydrogen-bonded Turntrans-90.6-20.5178.2-66.1-174.3178.5-178.20113.4N589 Q667N589-K591 PolarHBondContact O-N 3.33Å; K591-Q667 VanDerWaalsContact CE-OE1 3.25Å; K591-Q667 HydrophobicContact CG-CB 4.25Å
592K76Confident81.1Confident48 Ų4851.8 Ų51.821%0.20927%0.269CS..SBendtrans-81.7122.5-172.5-165.9171.2172.5-1750108.9E584 N589 I594 H628E584-K592 IonicContact OE2-NZ 3.19Å; E584-K592 PolarHBondContact OE2-NZ 3.45Å; N589-K592 HydrophobicContact CB-CB 4.48Å; N589-K592 PolarHBondContact O-N 3.05Å; N589-K592 VanDerWaalsContact O-N 3.1Å; K592-I594 PolarHBondContact O-N 2.97Å; K592-H628 PolarHBondContact NZ-ND1 3.21Å
593P79Confident81.5Confident57 Ų5751 Ų5137%0.3726%0.263SS..  trans-66.5128.4-178.827-33.5000109.8Y629P593-Y629 HydrophobicContact CB-CD2 3.88Å; P593-Y629 HydrophobicContact CB-CE2 4.24Å; P593-Y629 HydrophobicContact CG-CD2 4.32Å; P593-Y629 WeakPolarHBondContact O-CD2 3.37Å; P593-Y629 PolarHBondContact O-N 2.82Å
594I87.3Confident81.8Confident2 Ų244.4 Ų44.41%0.0124%0.243CC..EExtended strand (participates in β ladder)trans-123.7148.2177.1-172164.9000108.5C579 L586 K592 A626 I627 L663C579-I594 HydrophobicContact CB-CD1 4.33Å; L586-I594 HydrophobicContact CD1-CG2 3.34Å; K592-I594 PolarHBondContact O-N 2.97Å; I594-A626 HydrophobicContact CD1-CB 3.69Å; I594-A626 HydrophobicContact CG1-CB 3.98Å; I594-I627 WeakPolarHBondContact CG1-O 3.31Å; I594-L663 HydrophobicContact CG1-CD1 4.49Å; I594-L663 HydrophobicContact CG2-CB 4.01Å; I594-L663 HydrophobicContact CG2-CD1 3.85Å; I594-L663 HydrophobicContact CG2-CG 4.35Å; I594-L663 PolarHBondContact O-N 3.05Å
595G90.9Very high81.8Confident0 Ų041.4 Ų41.40%023%0.229CC..EExtended strand (participates in β ladder)trans-139.1159.4175.700000112.4A626 I627 L660 L661G595-A626 CarbonylContact O-C 3Å; G595-A626 WeakPolarHBondContact O-CA 3.4Å; G595-I627 PolarHBondContact N-O 3.33Å; G595-I627 PolarHBondContact O-N 3.3Å; G595-L660 VanDerWaalsContact C-CD1 3.41Å; G595-L660 WeakPolarHBondContact O-CD1 3.4Å; G595-L661 CarbonylContact C-O 3.48Å; G595-L661 WeakPolarHBondContact CA-O 3.36Å
596L93.5Very high82.1Confident0 Ų041.6 Ų41.60%023%0.227CC..EExtended strand (participates in β ladder)trans-90.6132.1175.7-62.4173.8000110L577 T598 L624 A626 L660 L661 L663 F730 H733L577-L596 HydrophobicContact CD2-CD2 3.88Å; L596-T598 PolarHBondContact O-N 2.85Å; L596-L624 HydrophobicContact CD1-CD2 3.7Å; L596-L624 HydrophobicContact CD2-CD2 4.02Å; L596-L624 HydrophobicContact CG-CD2 4.49Å; L596-A626 HydrophobicContact CD2-CB 3.96Å; L596-L660 CarbonylContact O-C 3.38Å; L596-L660 WeakPolarHBondContact O-CA 3.35Å; L596-L661 PolarHBondContact N-O 3.13Å; L596-L661 PolarHBondContact O-N 2.88Å; L596-L663 HydrophobicContact CD1-CD2 3.64Å; L596-L663 HydrophobicContact CD2-CD1 4.14Å; L596-L663 HydrophobicContact CD2-CD2 4.27Å; L596-L663 HydrophobicContact CD2-CG 4.49Å; L596-L663 HydrophobicContact CG-CD1 4.26Å; L596-L663 HydrophobicContact CG-CD2 3.69Å; L596-L663 HydrophobicContact CG-CG 4.06Å; L596-F730 HydrophobicContact CD1-CD2 3.74Å; L596-F730 HydrophobicContact CD1-CE2 3.89Å; L596-H733 HydrophobicContact CD1-CB 4.27Å
597Y93.3Very high82.2Confident1 Ų143.4 Ų43.40%0.00424%0.241CC..EExtended strand (participates in β ladder)trans-62129167.3-77.5-55.8000110.2S622 N625 I627 H632 W645 A648 H651 N652 C657 L660Y597-S622 WeakPolarHBondContact O-CB 3.43Å; Y597-S622 PolarHBondContact O-OG 3.49Å; Y597-N625 HydrophobicContact CD2-CB 4.18Å; Y597-N625 PolarHBondContact N-O 3.45Å; Y597-I627 HydrophobicContact CD2-CG2 4.16Å; Y597-I627 HydrophobicContact CE1-CG2 4.03Å; Y597-I627 HydrophobicContact CE2-CB 4.04Å; Y597-I627 HydrophobicContact CE2-CD1 4.03Å; Y597-I627 HydrophobicContact CE2-CG2 3.66Å; Y597-I627 WeakPolarHBondContact OH-CD1 3.15Å; Y597-H632 AromaticContact CE1-CE1 3.87Å; Y597-H632 AromaticContact CE1-ND1 3.55Å; Y597-H632 AromaticContact CZ-ND1 3.65Å; Y597-H632 PolarHBondContact OH-ND1 2.96Å; Y597-W645 HydrophobicContact CD1-CZ3 4.09Å; Y597-W645 HydrophobicContact CE1-CZ3 4.12Å; Y597-A648 HydrophobicContact CE1-CB 3.75Å; Y597-H651 HydrophobicContact CE2-CB 4.18Å; Y597-N652 HydrophobicContact CD2-CB 3.82Å; Y597-N652 HydrophobicContact CE2-CB 4.37Å; Y597-N652 HydrophobicContact CG-CB 4.13Å; Y597-C657 HydrophobicContact CD1-CB 4.09Å; Y597-C657 HydrophobicContact CG-CB 4.35Å; Y597-L660 HydrophobicContact CD1-CD1 4.14Å; Y597-L660 HydrophobicContact CE1-CD1 4.37Å
598T93.8Very high82.3Confident1 Ų145.8 Ų45.81%0.00624%0.242CC..EExtended strand (participates in β ladder)trans-134.7149.1-17645.40000109.8L596 T620 V621 C657 N658 G659 L661 H680 F730L596-T598 PolarHBondContact O-N 2.85Å; T598-T620 HydrophobicContact CG2-CG2 3.84Å; T598-V621 WeakPolarHBondContact CA-O 3.29Å; T598-C657 CarbonylContact O-C 3.58Å; T598-C657 VanDerWaalsContact O-CA 3.25Å; T598-C657 WeakPolarHBondContact O-CA 3.25Å; T598-C657 WeakPolarHBondContact O-CB 3.47Å; T598-N658 PolarHBondContact O-N 3.18Å; T598-N658 PolarHBondContact O-OD1 2.81Å; T598-G659 PolarHBondContact N-O 3.43Å; T598-G659 PolarHBondContact O-N 2.98Å; T598-G659 PolarHBondContact OG1-O 3.35Å; T598-L661 HydrophobicContact CG2-CB 3.81Å; T598-H680 PolarHBondContact OG1-CE1 3.16Å; T598-H680 VanDerWaalsContact OG1-CE1 3.26Å; T598-F730 HydrophobicContact CG2-CE1 4.47Å; T598-F730 HydrophobicContact CG2-CE2 3.93Å; T598-F730 HydrophobicContact CG2-CZ 3.61Å
599F93.6Very high82.7Confident35 Ų3544.5 Ų44.515%0.15422%0.221CC..EExtended strand (participates in β ladder)trans-119.7118.2169.8-179.8-95.8000109.3K601 T620 V621 R656 N658 D718 T719F599-K601 HydrophobicContact CE1-CB 4.33Å; F599-T620 WeakPolarHBondContact O-CA 3.18Å; F599-V621 HydrophobicContact CB-CG2 4.28Å; F599-V621 HydrophobicContact CD1-CG2 4.32Å; F599-V621 PolarHBondContact N-O 3.19Å; F599-V621 PolarHBondContact O-N 3.17Å; F599-R656 HydrophobicContact CD2-CB 3.79Å; F599-R656 HydrophobicContact CE2-CB 4.11Å; F599-R656 HydrophobicContact CG-CB 4.43Å; F599-N658 WeakPolarHBondContact CA-OD1 3.5Å; F599-D718 HydrophobicContact CD1-CB 4.34Å; F599-D718 HydrophobicContact CE1-CB 3.95Å; F599-T719 HydrophobicContact CB-CG2 3.37Å; F599-T719 HydrophobicContact CD1-CG2 3.62Å; F599-T719 HydrophobicContact CG-CG2 3.62Å
600S94.2Very high82.7Confident1 Ų150.8 Ų50.81%0.00725%0.248CC..EExtended strand (participates in β ladder)trans-114.1136.3-179.4-55.10000110.5F619 T620 N658 T688S600-F619 WeakPolarHBondContact CA-O 3.39Å; S600-T620 WeakPolarHBondContact OG-CG2 3.46Å; S600-T620 PolarHBondContact OG-OG1 3.02Å; S600-N658 PolarHBondContact N-OD1 2.94Å; S600-N658 PolarHBondContact O-ND2 3.35Å; S600-T688 VanDerWaalsContact O-CG2 3.28Å; S600-T688 WeakPolarHBondContact O-CG2 3.39Å
601K92.7Very high83.1Confident62 Ų6252.6 Ų52.627%0.2726%0.261SS..EExtended strand (participates in β ladder)trans-128155.817266.9174.2-176.8177.20111.4F599 V603 I618 F619 D718F599-K601 HydrophobicContact CE1-CB 4.33Å; K601-V603 HydrophobicContact CD-CG1 4.48Å; K601-V603 HydrophobicContact CG-CG1 4.16Å; K601-I618 CarbonylContact O-C 3.33Å; K601-I618 VanDerWaalsContact O-CA 3.28Å; K601-I618 WeakPolarHBondContact O-CA 3.26Å; K601-F619 HydrophobicContact CG-CB 4.4Å; K601-F619 HydrophobicContact CG-CD1 4.37Å; K601-F619 PolarHBondContact N-O 2.99Å; K601-F619 PolarHBondContact O-N 3.29Å; K601-D718 VanDerWaalsContact CE-OD2 3.29Å; K601-D718 WeakPolarHBondContact CE-OD2 3.4Å; K601-D718 IonicContact NZ-OD1 3.41Å; K601-D718 PolarHBondContact NZ-OD1 3.2Å; K601-D718 IonicContact NZ-OD2 3.95Å; K601-D718 PolarHBondContact NZ-OD2 3.07Å
602V93Very high83.3Confident53 Ų5350.4 Ų50.432%0.32127%0.272SS..EExtended strand (participates in β ladder)trans-78132.4174.9-167.10000109.7K616 S617 T688 F690V602-K616 HydrophobicContact CG1-CB 3.88Å; V602-K616 HydrophobicContact CG1-CD 3.79Å; V602-K616 HydrophobicContact CG1-CG 4.31Å; V602-S617 WeakPolarHBondContact CA-O 3.12Å; V602-T688 HydrophobicContact CG2-CG2 4.47Å; V602-T688 WeakPolarHBondContact CG2-O 3.49Å; V602-F690 HydrophobicContact CG1-CD2 4.48Å; V602-F690 HydrophobicContact CG2-CB 4.05Å
603V90Very high83.4Confident32 Ų3253.7 Ų53.719%0.19430%0.296CS..EExtended strand (participates in β ladder)trans-133.3152.7176.4-63.90000110.1K601 K616 S617 F619 F704K601-V603 HydrophobicContact CD-CG1 4.48Å; K601-V603 HydrophobicContact CG-CG1 4.16Å; V603-K616 WeakPolarHBondContact O-CA 3.27Å; V603-S617 PolarHBondContact N-O 3.26Å; V603-S617 PolarHBondContact O-N 3.25Å; V603-S617 VanDerWaalsContact O-O 3.1Å; V603-F619 HydrophobicContact CG1-CB 3.79Å; V603-F619 HydrophobicContact CG2-CB 3.85Å; V603-F704 HydrophobicContact CG2-CD2 3.84Å; V603-F704 HydrophobicContact CG2-CE2 3.35Å; V603-F704 HydrophobicContact CG2-CZ 3.73Å
604D87Confident83.4Confident64 Ų6454.5 Ų54.534%0.34229%0.294SS..EExtended strand (participates in β ladder)trans-74.2137.2172.1-62.9-21.9000109.4K614D604-K614 HydrophobicContact CB-CB 4.34Å; D604-K614 HydrophobicContact CB-CD 4.24Å; D604-K614 WeakPolarHBondContact OD2-CD 3.38Å
605I81.2Confident83.2Confident8 Ų856 Ų564%0.04130%0.304CS..SBendtrans-64-46.5-177-65.8174.7000111.5S615 H700 V773I605-S615 WeakPolarHBondContact CG1-O 3.43Å; I605-S615 PolarHBondContact N-O 3.37Å; I605-H700 VanDerWaalsContact CG2-CE1 3.47Å; I605-H700 WeakPolarHBondContact CG2-CE1 3.35Å; I605-V773 HydrophobicContact CB-CG1 3.92Å; I605-V773 HydrophobicContact CD1-CG1 3.86Å; I605-V773 HydrophobicContact CG2-CG1 3.58Å
606E76.7Confident83.1Confident36 Ų3662 Ų6217%0.16833%0.33CS..  trans-136.9108.1-179.9-179.243.3-105.500108.9Y608 E609 V773E606-Y608 PolarHBondContact O-N 2.99Å; E606-Y608 VanDerWaalsContact O-N 3.15Å; E606-Y608 WeakPolarHBondContact OE1-CB 3.29Å; E606-Y608 WeakPolarHBondContact OE1-CD2 3.38Å; E606-Y608 PolarHBondContact OE1-N 3.15Å; E606-E609 HydrophobicContact CB-CB 4.23Å; E606-E609 HydrophobicContact CG-CB 4.43Å; E606-E609 WeakPolarHBondContact O-CB 3.14Å; E606-E609 PolarHBondContact O-N 2.94Å; E606-E609 VanDerWaalsContact O-N 3.09Å; E606-V773 HydrophobicContact CB-CG2 4.47Å
607P70Confident82.9Confident73 Ų7362 Ų6247%0.47433%0.33SS..THydrogen-bonded Turntrans-56.8-27.9177.7-25.433.4000113.4K614P607-K614 WeakPolarHBondContact O-CE 3.09Å; P607-K614 PolarHBondContact O-NZ 2.88Å
608Y69Low82.9Confident180 Ų18062.3 Ų62.371%0.70633%0.332SS*.THydrogen-bonded Turntrans-96.212.4-179.2-53.4-71.2000113.6E606 Q610E606-Y608 PolarHBondContact O-N 2.99Å; E606-Y608 VanDerWaalsContact O-N 3.15Å; E606-Y608 WeakPolarHBondContact OE1-CB 3.29Å; E606-Y608 WeakPolarHBondContact OE1-CD2 3.38Å; E606-Y608 PolarHBondContact OE1-N 3.15Å; Y608-Q610 PolarHBondContact O-N 3.04Å
609E71Confident82.8Confident33 Ų3362.6 Ų62.615%0.15433%0.333CS..  trans-57.7126.2174.8-173178.8-178.300110E606 S611 K614 S615 V773E606-E609 HydrophobicContact CB-CB 4.23Å; E606-E609 HydrophobicContact CG-CB 4.43Å; E606-E609 WeakPolarHBondContact O-CB 3.14Å; E606-E609 PolarHBondContact O-N 2.94Å; E606-E609 VanDerWaalsContact O-N 3.09Å; E609-S611 PolarHBondContact O-N 2.94Å; E609-K614 WeakPolarHBondContact OE2-CA 3.4Å; E609-S615 PolarHBondContact OE1-OG 3.18Å; E609-S615 PolarHBondContact OE2-N 3.44Å; E609-S615 PolarHBondContact OE2-OG 3.39Å; E609-V773 HydrophobicContact CB-CG2 4.39Å; E609-V773 HydrophobicContact CG-CG2 3.77Å; E609-V773 WeakPolarHBondContact OE1-CG2 3.49Å; E609-V773 WeakPolarHBondContact OE2-CG2 3.26Å
610Q69.8Low82.8Confident200 Ų20060.9 Ų60.994%0.93533%0.326SS*.  trans-73.3-13.8-177-64.7-177.2-0.100113.4Y608Y608-Q610 PolarHBondContact O-N 3.04Å
611S74.4Confident82.6Confident62 Ų6261 Ų6143%0.43433%0.326SS..SBendtrans-64.4143.3176.7177.50000111.6E609 V613E609-S611 PolarHBondContact O-N 2.94Å; S611-V613 PolarHBondContact O-N 3.19Å; S611-V613 PolarHBondContact OG-N 2.78Å; S611-V613 PolarHBondContact OG-O 3.01Å
612A73Confident82.5Confident110 Ų11058.2 Ų58.291%0.90931%0.314SS*.SBendtrans-64.5-29.4176.200000113
613V77.1Confident82.1Confident117 Ų11757 Ų5771%0.70930%0.304SS*.SBendtrans-111.3112.8172.7-1790000107.3S611S611-V613 PolarHBondContact O-N 3.19Å; S611-V613 PolarHBondContact OG-N 2.78Å; S611-V613 PolarHBondContact OG-O 3.01Å
614K79.3Confident82Confident75 Ų7556.9 Ų56.933%0.32630%0.302SS..  trans-73.1137.9178.1-61.7-171.6-174.9-179.80110.8D604 P607 E609D604-K614 HydrophobicContact CB-CB 4.34Å; D604-K614 HydrophobicContact CB-CD 4.24Å; D604-K614 WeakPolarHBondContact OD2-CD 3.38Å; P607-K614 WeakPolarHBondContact O-CE 3.09Å; P607-K614 PolarHBondContact O-NZ 2.88Å; E609-K614 WeakPolarHBondContact OE2-CA 3.4Å
615S84.3Confident82.1Confident34 Ų3455.2 Ų55.224%0.23829%0.294CS..  trans-67.2133.3174-59.20000109.4I605 E609I605-S615 WeakPolarHBondContact CG1-O 3.43Å; I605-S615 PolarHBondContact N-O 3.37Å; E609-S615 PolarHBondContact OE1-OG 3.18Å; E609-S615 PolarHBondContact OE2-N 3.44Å; E609-S615 PolarHBondContact OE2-OG 3.39Å
616K88Confident82.5Confident124 Ų12455 Ų5554%0.53929%0.292SS..EExtended strand (participates in β ladder)trans-107.8150.7-176-61.1-167.3176.7-170.20111.4V602 V603 F690V602-K616 HydrophobicContact CG1-CB 3.88Å; V602-K616 HydrophobicContact CG1-CD 3.79Å; V602-K616 HydrophobicContact CG1-CG 4.31Å; V603-K616 WeakPolarHBondContact O-CA 3.27Å; K616-F690 WeakPolarHBondContact O-CE2 3.28Å
617S89.9Confident83.1Confident0 Ų053.2 Ų53.20%028%0.284CS..EExtended strand (participates in β ladder)trans-142.6-177.5172-177.90000109.1V602 V603 H700V602-S617 WeakPolarHBondContact CA-O 3.12Å; V603-S617 PolarHBondContact N-O 3.26Å; V603-S617 PolarHBondContact O-N 3.25Å; V603-S617 VanDerWaalsContact O-O 3.1Å; S617-H700 WeakPolarHBondContact OG-CB 3.36Å
618I92.4Very high84.1Confident8 Ų849.8 Ų49.84%0.04126%0.262CS..EExtended strand (participates in β ladder)trans-101.2153.8170.766.2-178.4000111.2K601 V684 F690 F693 T697 D701K601-I618 CarbonylContact O-C 3.33Å; K601-I618 VanDerWaalsContact O-CA 3.28Å; K601-I618 WeakPolarHBondContact O-CA 3.26Å; I618-V684 HydrophobicContact CG2-CG1 4.22Å; I618-F690 HydrophobicContact CG2-CB 3.99Å; I618-F690 HydrophobicContact CG2-CD1 3.46Å; I618-F690 VanDerWaalsContact CG2-CD1 3.46Å; I618-F690 HydrophobicContact CG2-CD2 4.15Å; I618-F690 HydrophobicContact CG2-CE1 3.96Å; I618-F690 HydrophobicContact CG2-CG 3.57Å; I618-F690 HydrophobicContact CG2-CZ 4.48Å; I618-F693 HydrophobicContact CD1-CE1 4.25Å; I618-T697 HydrophobicContact CD1-CG2 4.03Å; I618-T697 HydrophobicContact CG1-CG2 3.72Å; I618-D701 HydrophobicContact CG1-CB 4.27Å
619F91.7Very high85Confident7 Ų741.9 Ų41.93%0.03123%0.231CC..EExtended strand (participates in β ladder)trans-124.8123.1165.8171.7-110.5000109.2S600 K601 V603 V621 D701 F704 L705 L715S600-F619 WeakPolarHBondContact CA-O 3.39Å; K601-F619 HydrophobicContact CG-CB 4.4Å; K601-F619 HydrophobicContact CG-CD1 4.37Å; K601-F619 PolarHBondContact N-O 2.99Å; K601-F619 PolarHBondContact O-N 3.29Å; V603-F619 HydrophobicContact CG1-CB 3.79Å; V603-F619 HydrophobicContact CG2-CB 3.85Å; F619-V621 HydrophobicContact CE1-CG1 3.56Å; F619-V621 HydrophobicContact CE2-CG1 4.28Å; F619-V621 HydrophobicContact CZ-CG1 3.39Å; F619-D701 VanDerWaalsContact CA-OD1 3.31Å; F619-D701 WeakPolarHBondContact CA-OD1 3.33Å; F619-F704 HydrophobicContact CD2-CB 3.47Å; F619-F704 VanDerWaalsContact CD2-CB 3.47Å; F619-F704 HydrophobicContact CD2-CG 4.46Å; F619-F704 HydrophobicContact CE2-CB 4.06Å; F619-F704 HydrophobicContact CG-CB 4.41Å; F619-L705 HydrophobicContact CE2-CB 4.23Å; F619-L705 HydrophobicContact CE2-CD1 3.97Å; F619-L705 HydrophobicContact CZ-CD1 4.12Å; F619-L715 HydrophobicContact CZ-CD2 4.09Å
620T93.2Very high85.8Confident0 Ų045.1 Ų45.10%025%0.249CC..EExtended strand (participates in β ladder)trans-119.6134.4-172.2-53.90000111.6T598 F599 S600 D701 F730T598-T620 HydrophobicContact CG2-CG2 3.84Å; F599-T620 WeakPolarHBondContact O-CA 3.18Å; S600-T620 WeakPolarHBondContact OG-CG2 3.46Å; S600-T620 PolarHBondContact OG-OG1 3.02Å; T620-D701 WeakPolarHBondContact CB-OD1 3.37Å; T620-D701 WeakPolarHBondContact CB-OD2 3.46Å; T620-D701 PolarHBondContact N-OD1 2.92Å; T620-D701 PolarHBondContact OG1-OD1 3.4Å; T620-D701 PolarHBondContact OG1-OD2 3.5Å; T620-F730 HydrophobicContact CG2-CE1 4.03Å; T620-F730 HydrophobicContact CG2-CZ 4.08Å
621V91.6Very high86.8Confident2 Ų236.5 Ų36.51%0.01221%0.211CC..EExtended strand (participates in β ladder)trans-128.2157.8173.9-74.10000111.1T598 F599 F619 L705 L715 T719 N727T598-V621 WeakPolarHBondContact CA-O 3.29Å; F599-V621 HydrophobicContact CB-CG2 4.28Å; F599-V621 HydrophobicContact CD1-CG2 4.32Å; F599-V621 PolarHBondContact N-O 3.19Å; F599-V621 PolarHBondContact O-N 3.17Å; F619-V621 HydrophobicContact CE1-CG1 3.56Å; F619-V621 HydrophobicContact CE2-CG1 4.28Å; F619-V621 HydrophobicContact CZ-CG1 3.39Å; V621-L705 HydrophobicContact CG1-CD1 3.97Å; V621-L715 HydrophobicContact CG1-CB 4.39Å; V621-L715 HydrophobicContact CG1-CD2 4.15Å; V621-T719 HydrophobicContact CB-CG2 4.48Å; V621-T719 HydrophobicContact CG2-CG2 3.28Å; V621-N727 WeakPolarHBondContact CA-OD1 3.17Å
622S90Very high87.6Confident4 Ų433.6 Ų33.63%0.02819%0.19CC..EExtended strand (participates in β ladder)trans-143.9151.7-178.3-170.80000112.8Y597 L624 N727Y597-S622 WeakPolarHBondContact O-CB 3.43Å; Y597-S622 PolarHBondContact O-OG 3.49Å; S622-L624 VanDerWaalsContact C-N 3.33Å; S622-L624 PolarHBondContact OG-N 2.8Å; S622-N727 PolarHBondContact N-OD1 3.41Å; S622-N727 PolarHBondContact O-ND2 2.89Å; S622-N727 PolarHBondContact O-OD1 3.36Å
623Y84.7Confident88.3Confident28 Ų2830.3 Ų30.311%0.1116%0.159CC..EExtended strand (participates in β ladder)trans-90.94.1165.4-158.2-93.3000112D79 N625 A653D79-Y623 PolarHBondContact O-OH 2.74Å; Y623-N625 VanDerWaalsContact CD1-ND2 3.29Å; Y623-N625 WeakPolarHBondContact CD1-ND2 3.29Å; Y623-N625 PolarHBondContact O-N 2.78Å; Y623-A653 HydrophobicContact CD1-CB 4.13Å; Y623-A653 HydrophobicContact CE1-CB 3.88Å
624L87.3Confident88.8Confident29 Ų2929.6 Ų29.615%0.15216%0.155CC..EExtended strand (participates in β ladder)trans59.321.4-173.8-79.7179.3000116.4L577 L596 S622 A626 A726 F730L577-L624 HydrophobicContact CD2-CD2 4.33Å; L596-L624 HydrophobicContact CD1-CD2 3.7Å; L596-L624 HydrophobicContact CD2-CD2 4.02Å; L596-L624 HydrophobicContact CG-CD2 4.49Å; S622-L624 VanDerWaalsContact C-N 3.33Å; S622-L624 PolarHBondContact OG-N 2.8Å; L624-A626 PolarHBondContact O-N 3.06Å; L624-A726 HydrophobicContact CD1-CB 4.43Å; L624-A726 WeakPolarHBondContact CD1-O 3.4Å; L624-A726 HydrophobicContact CG-CB 4.45Å; L624-A726 WeakPolarHBondContact CG-O 3.06Å; L624-F730 HydrophobicContact CD2-CB 4.2Å; L624-F730 HydrophobicContact CD2-CD2 4.37Å; L624-F730 HydrophobicContact CG-CB 4.49Å
625N88.8Confident89Confident30 Ų3026.5 Ų26.516%0.1614%0.143CC..EExtended strand (participates in β ladder)trans-75.3114.7171.2-74.7-36.4000111V580 Y597 Y623 N652V580-N625 HydrophobicContact CG2-CB 3.82Å; Y597-N625 HydrophobicContact CD2-CB 4.18Å; Y597-N625 PolarHBondContact N-O 3.45Å; Y623-N625 VanDerWaalsContact CD1-ND2 3.29Å; Y623-N625 WeakPolarHBondContact CD1-ND2 3.29Å; Y623-N625 PolarHBondContact O-N 2.78Å; N625-N652 WeakPolarHBondContact CB-OD1 3.36Å; N625-N652 VanDerWaalsContact ND2-C 3.31Å; N625-N652 WeakPolarHBondContact ND2-CA 3.35Å; N625-N652 PolarHBondContact ND2-OD1 2.8Å
626A89.8Confident88.9Confident2 Ų226.2 Ų26.22%0.01714%0.14CC..EExtended strand (participates in β ladder)trans-89.4143177.700000111.5L577 C579 V580 I594 G595 L596 L624 L663L577-A626 HydrophobicContact CB-CB 4.39Å; C579-A626 CarbonylContact C-O 3.51Å; C579-A626 VanDerWaalsContact CA-O 3.29Å; C579-A626 WeakPolarHBondContact CA-O 3.15Å; V580-A626 WeakPolarHBondContact CG2-O 3.11Å; V580-A626 PolarHBondContact N-O 3.2Å; I594-A626 HydrophobicContact CD1-CB 3.69Å; I594-A626 HydrophobicContact CG1-CB 3.98Å; G595-A626 CarbonylContact O-C 3Å; G595-A626 WeakPolarHBondContact O-CA 3.4Å; L596-A626 HydrophobicContact CD2-CB 3.96Å; L624-A626 PolarHBondContact O-N 3.06Å; A626-L663 HydrophobicContact CB-CD1 4.45Å
627I90.7Very high88.6Confident0 Ų029.9 Ų29.90%015%0.15CC..EExtended strand (participates in β ladder)trans-147.8139.9176.8-166.8172.6000111.3I581 I594 G595 Y597 C631 H632 L660I581-I627 HydrophobicContact CD1-CD1 3.64Å; I581-I627 HydrophobicContact CG1-CD1 3.96Å; I594-I627 WeakPolarHBondContact CG1-O 3.31Å; G595-I627 PolarHBondContact N-O 3.33Å; G595-I627 PolarHBondContact O-N 3.3Å; Y597-I627 HydrophobicContact CD2-CG2 4.16Å; Y597-I627 HydrophobicContact CE1-CG2 4.03Å; Y597-I627 HydrophobicContact CE2-CB 4.04Å; Y597-I627 HydrophobicContact CE2-CD1 4.03Å; Y597-I627 HydrophobicContact CE2-CG2 3.66Å; Y597-I627 WeakPolarHBondContact OH-CD1 3.15Å; I627-C631 HydrophobicContact CD1-CB 4.37Å; I627-C631 HydrophobicContact CG1-CB 3.99Å; I627-H632 HydrophobicContact CD1-CB 3.86Å; I627-H632 HydrophobicContact CG1-CB 4.3Å; I627-H632 HydrophobicContact CG2-CB 4.31Å; I627-L660 HydrophobicContact CG2-CD1 3.49Å; I627-L660 VanDerWaalsContact CG2-CD1 3.49Å; I627-L660 HydrophobicContact CG2-CD2 4.31Å
628H89.2Confident87.8Confident1 Ų134 Ų341%0.00518%0.18CC..EExtended strand (participates in β ladder)trans-66.5140.7169.6-67.1130.6000110.8C579 C582 E584 K592 D630 C631 H632C579-H628 PolarHBondContact SG-N 3.44Å; C582-H628 PolarHBondContact SG-ND1 3.06Å; E584-H628 IonicContact OE2-CE1 3.14Å; E584-H628 PolarHBondContact OE2-CE1 3.1Å; E584-H628 IonicContact OE2-ND1 3.99Å; K592-H628 PolarHBondContact NZ-ND1 3.21Å; H628-D630 PolarHBondContact O-N 3.21Å; H628-C631 HydrophobicContact CB-CB 4.01Å; H628-C631 PolarHBondContact O-N 3.47Å; H628-H632 PolarHBondContact O-N 3.38Å
629Y88.8Confident86.7Confident14 Ų1435 Ų356%0.05519%0.188CC..Hα-helixtrans-56.6-38.1177.7-76.1-96.9000112.3P593 H632 V633 L660 A676 K679P593-Y629 HydrophobicContact CB-CD2 3.88Å; P593-Y629 HydrophobicContact CB-CE2 4.24Å; P593-Y629 HydrophobicContact CG-CD2 4.32Å; P593-Y629 WeakPolarHBondContact O-CD2 3.37Å; P593-Y629 PolarHBondContact O-N 2.82Å; Y629-H632 PolarHBondContact O-N 2.99Å; Y629-V633 WeakPolarHBondContact O-CG2 3.44Å; Y629-V633 PolarHBondContact O-N 3.43Å; Y629-L660 HydrophobicContact CD1-CD2 3.52Å; Y629-L660 HydrophobicContact CD2-CD2 4.23Å; Y629-L660 HydrophobicContact CE1-CB 4.41Å; Y629-L660 HydrophobicContact CE1-CD2 3.43Å; Y629-L660 VanDerWaalsContact CE1-CD2 3.43Å; Y629-L660 HydrophobicContact CE1-CG 3.99Å; Y629-L660 HydrophobicContact CE2-CD2 4.15Å; Y629-L660 HydrophobicContact CE2-CG 4.47Å; Y629-L660 HydrophobicContact CG-CD2 3.94Å; Y629-L660 PolarHBondContact OH-O 3.3Å; Y629-A676 HydrophobicContact CE2-CB 4.29Å; Y629-K679 HydrophobicContact CD1-CD 3.93Å; Y629-K679 HydrophobicContact CE1-CD 3.9Å
630D88.2Confident85.4Confident101 Ų10140.7 Ų40.754%0.5422%0.224SC..Hα-helixtrans-68-43.4176.4-62.6-29.9000112.1H628 H632 V633 V634H628-D630 PolarHBondContact O-N 3.21Å; D630-H632 VanDerWaalsContact C-N 3.29Å; D630-H632 PolarHBondContact O-N 3.23Å; D630-V633 PolarHBondContact O-N 3.34Å; D630-V634 VanDerWaalsContact O-CG2 3.31Å; D630-V634 WeakPolarHBondContact O-CG2 3.4Å; D630-V634 PolarHBondContact O-N 3.23Å
631C90Very high84.3Confident19 Ų1948 Ų4813%0.12826%0.263CS..Hα-helixtrans-61.8-40.5176.9-68.10000111.1I581 I627 H628 V634 A635I581-C631 HydrophobicContact CB-CB 4.2Å; I581-C631 HydrophobicContact CD1-CB 4.29Å; I627-C631 HydrophobicContact CD1-CB 4.37Å; I627-C631 HydrophobicContact CG1-CB 3.99Å; H628-C631 HydrophobicContact CB-CB 4.01Å; H628-C631 PolarHBondContact O-N 3.47Å; C631-V634 PolarHBondContact O-N 2.92Å; C631-A635 VanDerWaalsContact O-CB 3.28Å; C631-A635 WeakPolarHBondContact O-CB 3.29Å; C631-A635 PolarHBondContact O-N 2.99Å
632H90.9Very high83.3Confident0 Ų055 Ų550%029%0.289CS..Hα-helixtrans-60.3-50.4174.3176.774.1000111.6Y597 I627 H628 Y629 D630 V634 A635 V636 E644Y597-H632 AromaticContact CE1-CE1 3.87Å; Y597-H632 AromaticContact CE1-ND1 3.55Å; Y597-H632 AromaticContact CZ-ND1 3.65Å; Y597-H632 PolarHBondContact OH-ND1 2.96Å; I627-H632 HydrophobicContact CD1-CB 3.86Å; I627-H632 HydrophobicContact CG1-CB 4.3Å; I627-H632 HydrophobicContact CG2-CB 4.31Å; H628-H632 PolarHBondContact O-N 3.38Å; Y629-H632 PolarHBondContact O-N 2.99Å; D630-H632 VanDerWaalsContact C-N 3.29Å; D630-H632 PolarHBondContact O-N 3.23Å; H632-V634 VanDerWaalsContact C-N 3.33Å; H632-V634 PolarHBondContact O-N 3.38Å; H632-A635 PolarHBondContact O-N 2.99Å; H632-V636 WeakPolarHBondContact O-CB 2.98Å; H632-V636 VanDerWaalsContact O-CG2 3.26Å; H632-V636 WeakPolarHBondContact O-CG2 3.31Å; H632-V636 PolarHBondContact O-N 3.24Å; H632-E644 IonicContact CD2-OE1 3.73Å; H632-E644 IonicContact NE2-OE1 3.72Å; H632-E644 PolarHBondContact NE2-OE1 3.18Å; H632-E644 VanDerWaalsContact NE2-OE1 3.14Å
633V88.1Confident83Confident41 Ų4157.4 Ų57.425%0.24831%0.31CS..Hα-helixtrans-60.8-41.8179.4170.30000111.7Y629 D630 R637Y629-V633 WeakPolarHBondContact O-CG2 3.44Å; Y629-V633 PolarHBondContact O-N 3.43Å; D630-V633 PolarHBondContact O-N 3.34Å; V633-R637 HydrophobicContact CG1-CG 4.4Å; V633-R637 WeakPolarHBondContact O-CB 3.47Å; V633-R637 VanDerWaalsContact O-CG 3.24Å; V633-R637 WeakPolarHBondContact O-CG 3.32Å; V633-R637 PolarHBondContact O-N 3.44Å
634V87.3Confident83.1Confident102 Ų10259.1 Ų59.162%0.61832%0.319SS*.Hα-helixtrans-63.9-44.8177.4171.70000111D630 C631 H632 R637 S638D630-V634 VanDerWaalsContact O-CG2 3.31Å; D630-V634 WeakPolarHBondContact O-CG2 3.4Å; D630-V634 PolarHBondContact O-N 3.23Å; C631-V634 PolarHBondContact O-N 2.92Å; H632-V634 VanDerWaalsContact C-N 3.33Å; H632-V634 PolarHBondContact O-N 3.38Å; V634-R637 PolarHBondContact O-N 3.47Å; V634-S638 PolarHBondContact O-N 2.91Å; V634-S638 VanDerWaalsContact O-N 3.13Å; V634-S638 PolarHBondContact O-OG 3.26Å
635A84.5Confident83.2Confident11 Ų1158.8 Ų58.89%0.09132%0.316CS..Hα-helixtrans-65.9-38.6179.600000113.2I581 C631 H632 S638I581-A635 HydrophobicContact CD1-CB 3.56Å; C631-A635 VanDerWaalsContact O-CB 3.28Å; C631-A635 WeakPolarHBondContact O-CB 3.29Å; C631-A635 PolarHBondContact O-N 2.99Å; H632-A635 PolarHBondContact O-N 2.99Å; A635-S638 PolarHBondContact O-OG 3.38Å
636V82.7Confident83Confident27 Ų2762.5 Ų62.516%0.16433%0.332CS..Hα-helixtrans-70.2-41.4177.2168.10000111H632 S638 A639 E644H632-V636 WeakPolarHBondContact O-CB 2.98Å; H632-V636 VanDerWaalsContact O-CG2 3.26Å; H632-V636 WeakPolarHBondContact O-CG2 3.31Å; H632-V636 PolarHBondContact O-N 3.24Å; V636-S638 VanDerWaalsContact C-N 3.33Å; V636-S638 PolarHBondContact O-N 3.45Å; V636-A639 PolarHBondContact O-N 2.91Å; V636-E644 HydrophobicContact CB-CG 4.45Å; V636-E644 HydrophobicContact CG1-CB 3.77Å; V636-E644 HydrophobicContact CG1-CG 3.82Å; V636-E644 HydrophobicContact CG2-CB 4.46Å; V636-E644 HydrophobicContact CG2-CG 3.83Å
637R80Confident82.8Confident201 Ų20162.5 Ų62.576%0.75833%0.332SS*.Hα-helixtrans-69.1-28.5-179.8-76.2177.3177.8179.91.1113.6V633 V634 A639V633-R637 HydrophobicContact CG1-CG 4.4Å; V633-R637 WeakPolarHBondContact O-CB 3.47Å; V633-R637 VanDerWaalsContact O-CG 3.24Å; V633-R637 WeakPolarHBondContact O-CG 3.32Å; V633-R637 PolarHBondContact O-N 3.44Å; V634-R637 PolarHBondContact O-N 3.47Å; R637-A639 VanDerWaalsContact C-N 3.26Å
638S73.7Confident82.6Confident88 Ų8862.5 Ų62.562%0.61533%0.332SS*.Hα-helixtrans-74.5-17.417760.20000112.9V634 A635 V636 T640V634-S638 PolarHBondContact O-N 2.91Å; V634-S638 VanDerWaalsContact O-N 3.13Å; V634-S638 PolarHBondContact O-OG 3.26Å; A635-S638 PolarHBondContact O-OG 3.38Å; V636-S638 VanDerWaalsContact C-N 3.33Å; V636-S638 PolarHBondContact O-N 3.45Å; S638-T640 PolarHBondContact O-N 3.05Å
639A70Confident82.5Confident27 Ų2763.8 Ų63.822%0.22334%0.338CS..  trans-87.987.7176.800000111.1V636 R637 N641 R642 S647V636-A639 PolarHBondContact O-N 2.91Å; R637-A639 VanDerWaalsContact C-N 3.26Å; A639-N641 VanDerWaalsContact C-N 3.26Å; A639-N641 PolarHBondContact O-N 3.35Å; A639-N641 VanDerWaalsContact O-N 3.16Å; A639-R642 HydrophobicContact CB-CB 4.43Å; A639-S647 WeakPolarHBondContact CB-OG 3.48Å
640T63.3Low82.1Confident127 Ų12767.1 Ų67.178%0.77936%0.356SS*.THydrogen-bonded Turntrans-66.1-17-171.442.30000115.9S638S638-T640 PolarHBondContact O-N 3.05Å
641N69.6Low81.9Confident155 Ų15565.2 Ų65.283%0.82934%0.344SS*.THydrogen-bonded Turntrans-130.421.2-172.2-73.2-13.1000114.4A639A639-N641 VanDerWaalsContact C-N 3.26Å; A639-N641 PolarHBondContact O-N 3.35Å; A639-N641 VanDerWaalsContact O-N 3.16Å
642R70.7Confident81.6Confident147 Ų14764.4 Ų64.456%0.55534%0.339SS*.SBendtrans-131.2149.3-177.7-70.7178.6-177.2158.3-2.8111.2A639 E646 S647A639-R642 HydrophobicContact CB-CB 4.43Å; R642-E646 HydrophobicContact CB-CB 4.34Å; R642-S647 VanDerWaalsContact CB-OG 3.28Å; R642-S647 WeakPolarHBondContact CB-OG 3.46Å
643A83.8Confident81Confident55 Ų5565.4 Ų65.446%0.45535%0.347SS..  trans-63.3152.5170.200000110.4W645 E646 S647A643-W645 PolarHBondContact O-N 3Å; A643-E646 HydrophobicContact CB-CB 4.36Å; A643-E646 HydrophobicContact CB-CG 4Å; A643-E646 PolarHBondContact N-OE2 3.06Å; A643-E646 WeakPolarHBondContact O-CB 3.31Å; A643-E646 PolarHBondContact O-N 3.35Å; A643-E646 VanDerWaalsContact O-N 3.07Å; A643-S647 PolarHBondContact O-N 3.05Å; A643-S647 PolarHBondContact O-OG 3.4Å
644E87.5Confident80.5Confident65 Ų6565 Ų6530%0.30435%0.346SS..Hα-helixtrans-47-48.9-179.8170.2169.4-164.800111.9H632 V636 S647 A648 Y683H632-E644 IonicContact CD2-OE1 3.73Å; H632-E644 IonicContact NE2-OE1 3.72Å; H632-E644 PolarHBondContact NE2-OE1 3.18Å; H632-E644 VanDerWaalsContact NE2-OE1 3.14Å; V636-E644 HydrophobicContact CB-CG 4.45Å; V636-E644 HydrophobicContact CG1-CB 3.77Å; V636-E644 HydrophobicContact CG1-CG 3.82Å; V636-E644 HydrophobicContact CG2-CB 4.46Å; V636-E644 HydrophobicContact CG2-CG 3.83Å; E644-S647 PolarHBondContact O-N 2.98Å; E644-A648 WeakPolarHBondContact O-CB 3.26Å; E644-A648 PolarHBondContact O-N 3.16Å; E644-Y683 WeakPolarHBondContact OE1-CE1 3.38Å; E644-Y683 PolarHBondContact OE1-OH 3.13Å
645W89.3Confident80.3Confident22 Ų2260.3 Ų60.38%0.08332%0.317CS..Hα-helixtrans-80-22.2-176-63.5106.1000114.5Y597 A643 A648 M649 C657 Y683 H687Y597-W645 HydrophobicContact CD1-CZ3 4.09Å; Y597-W645 HydrophobicContact CE1-CZ3 4.12Å; A643-W645 PolarHBondContact O-N 3Å; W645-A648 HydrophobicContact CE3-CB 3.85Å; W645-A648 HydrophobicContact CZ3-CB 4.32Å; W645-M649 VanDerWaalsContact O-CB 3.31Å; W645-M649 WeakPolarHBondContact O-CB 3.46Å; W645-M649 PolarHBondContact O-N 2.63Å; W645-C657 WeakPolarHBondContact CB-O 3.49Å; W645-C657 HydrophobicContact CE3-CB 4.15Å; W645-C657 VanDerWaalsContact CE3-O 3.3Å; W645-C657 HydrophobicContact CZ3-CB 4.29Å; W645-Y683 HydrophobicContact CH2-CD2 4.29Å; W645-Y683 HydrophobicContact CH2-CG 4.3Å; W645-Y683 AromaticContact CZ2-CD1 3.62Å; W645-Y683 HydrophobicContact CZ2-CD1 3.62Å; W645-Y683 HydrophobicContact CZ2-CD2 4.04Å; W645-Y683 AromaticContact CZ2-CE1 3.96Å; W645-Y683 HydrophobicContact CZ2-CE1 3.96Å; W645-Y683 HydrophobicContact CZ2-CE2 4.38Å; W645-Y683 AromaticContact CZ2-CG 3.63Å; W645-Y683 HydrophobicContact CZ2-CG 3.63Å; W645-H687 AromaticContact CD1-CE1 3.18Å; W645-H687 AromaticContact CD1-NE2 3.14Å; W645-H687 AromaticContact NE1-CE1 3.04Å; W645-H687 PolarHBondContact NE1-CE1 3.38Å; W645-H687 AromaticContact NE1-ND1 3.85Å; W645-H687 AromaticContact NE1-NE2 3.56Å
646E84.9Confident80.4Confident107 Ų10766 Ų6650%0.534%0.336SS..Hα-helixtrans-70.5-36.5168.9-67.9175.2160.500111R642 A643R642-E646 HydrophobicContact CB-CB 4.34Å; A643-E646 HydrophobicContact CB-CB 4.36Å; A643-E646 HydrophobicContact CB-CG 4Å; A643-E646 PolarHBondContact N-OE2 3.06Å; A643-E646 WeakPolarHBondContact O-CB 3.31Å; A643-E646 PolarHBondContact O-N 3.35Å; A643-E646 VanDerWaalsContact O-N 3.07Å
647S84.8Confident80.7Confident3 Ų365 Ų652%0.02133%0.331CS..Hα-helixtrans-71.6-42.5173.2-580000111.4A639 R642 A643 E644 M649 L650 H651A639-S647 WeakPolarHBondContact CB-OG 3.48Å; R642-S647 VanDerWaalsContact CB-OG 3.28Å; R642-S647 WeakPolarHBondContact CB-OG 3.46Å; A643-S647 PolarHBondContact O-N 3.05Å; A643-S647 PolarHBondContact O-OG 3.4Å; E644-S647 PolarHBondContact O-N 2.98Å; S647-M649 VanDerWaalsContact C-N 3.29Å; S647-M649 PolarHBondContact O-N 2.86Å; S647-L650 WeakPolarHBondContact O-CB 3.49Å; S647-L650 PolarHBondContact O-N 3.13Å; S647-H651 PolarHBondContact O-CD2 2.96Å
648A88.1Confident81.4Confident0 Ų056 Ų560%030%0.298CS..Hα-helixtrans-62-36.9177.200000112.5Y597 E644 W645 L650 H651 N652Y597-A648 HydrophobicContact CE1-CB 3.75Å; E644-A648 WeakPolarHBondContact O-CB 3.26Å; E644-A648 PolarHBondContact O-N 3.16Å; W645-A648 HydrophobicContact CE3-CB 3.85Å; W645-A648 HydrophobicContact CZ3-CB 4.32Å; A648-L650 PolarHBondContact O-N 3.41Å; A648-H651 CarbonylContact O-C 3.37Å; A648-H651 WeakPolarHBondContact O-CA 3.27Å; A648-H651 PolarHBondContact O-N 2.69Å; A648-N652 WeakPolarHBondContact O-CB 3.48Å; A648-N652 PolarHBondContact O-N 3.28Å
649M85.5Confident82.3Confident28 Ų2851.8 Ų51.814%0.13827%0.268CS..Hα-helixtrans-53.5-38.1176179.8-179.371.800112.5R84 W645 S647 H651 N652 S654R84-M649 PolarHBondContact NH1-SD 2.94Å; W645-M649 VanDerWaalsContact O-CB 3.31Å; W645-M649 WeakPolarHBondContact O-CB 3.46Å; W645-M649 PolarHBondContact O-N 2.63Å; S647-M649 VanDerWaalsContact C-N 3.29Å; S647-M649 PolarHBondContact O-N 2.86Å; M649-H651 VanDerWaalsContact C-N 3.32Å; M649-H651 PolarHBondContact O-N 3.23Å; M649-N652 CarbonylContact O-C 3.54Å; M649-N652 WeakPolarHBondContact O-CA 3.43Å; M649-N652 PolarHBondContact O-N 3.46Å; M649-S654 WeakPolarHBondContact O-CA 3.16Å; M649-S654 PolarHBondContact O-N 3.22Å
650L80.9Confident83.5Confident83 Ų8350.5 Ų50.544%0.43526%0.258SS..Hα-helixtrans-65.2-36.3177-64.5174.7000112.7S647 A648S647-L650 WeakPolarHBondContact O-CB 3.49Å; S647-L650 PolarHBondContact O-N 3.13Å; A648-L650 PolarHBondContact O-N 3.41Å
651H83.2Confident85Confident61 Ų6144.6 Ų44.628%0.28222%0.222SC..Hα-helixtrans-80.1-9174-62-63.8000112.7V580 Y597 S647 A648 M649V580-H651 WeakPolarHBondContact CG1-O 3.4Å; Y597-H651 HydrophobicContact CE2-CB 4.18Å; S647-H651 PolarHBondContact O-CD2 2.96Å; A648-H651 CarbonylContact O-C 3.37Å; A648-H651 WeakPolarHBondContact O-CA 3.27Å; A648-H651 PolarHBondContact O-N 2.69Å; M649-H651 VanDerWaalsContact C-N 3.32Å; M649-H651 PolarHBondContact O-N 3.23Å
652N85.6Confident86.1Confident2 Ų237.5 Ų37.51%0.01118%0.184CC..THydrogen-bonded Turntrans-106.138.2177.9-168.234.3000111.4Y597 N625 A648 M649 S654 T655Y597-N652 HydrophobicContact CD2-CB 3.82Å; Y597-N652 HydrophobicContact CE2-CB 4.37Å; Y597-N652 HydrophobicContact CG-CB 4.13Å; N625-N652 WeakPolarHBondContact CB-OD1 3.36Å; N625-N652 VanDerWaalsContact ND2-C 3.31Å; N625-N652 WeakPolarHBondContact ND2-CA 3.35Å; N625-N652 PolarHBondContact ND2-OD1 2.8Å; A648-N652 WeakPolarHBondContact O-CB 3.48Å; A648-N652 PolarHBondContact O-N 3.28Å; M649-N652 CarbonylContact O-C 3.54Å; M649-N652 WeakPolarHBondContact O-CA 3.43Å; M649-N652 PolarHBondContact O-N 3.46Å; N652-S654 PolarHBondContact O-N 3.16Å; N652-T655 PolarHBondContact ND2-O 2.94Å; N652-T655 WeakPolarHBondContact O-CA 3.27Å; N652-T655 WeakPolarHBondContact O-CB 3.23Å; N652-T655 PolarHBondContact O-N 3.37Å; N652-T655 PolarHBondContact O-OG1 3.21Å
653A78.2Confident87Confident22 Ų2230.9 Ų30.918%0.18216%0.159CC..THydrogen-bonded Turntrans52.140.7-178.800000113.4Q82 Y623 T655Q82-A653 HydrophobicContact CG-CB 4.47Å; Y623-A653 HydrophobicContact CD1-CB 4.13Å; Y623-A653 HydrophobicContact CE1-CB 3.88Å; A653-T655 PolarHBondContact O-N 3.33Å; A653-T655 VanDerWaalsContact O-N 3.15Å; A653-T655 PolarHBondContact O-OG1 2.96Å
654S77.5Confident86.8Confident31 Ų3132.4 Ų32.422%0.21716%0.159CC..THydrogen-bonded Turntrans60.320.2-176.4-62.60000114.8M649 N652M649-S654 WeakPolarHBondContact O-CA 3.16Å; M649-S654 PolarHBondContact O-N 3.22Å; N652-S654 PolarHBondContact O-N 3.16Å
655T81.8Confident86.1Confident4 Ų429.6 Ų29.63%0.02515%0.148CC..  trans-96.2135.1177.9-55.30000110.5N652 A653 T719 G721N652-T655 PolarHBondContact ND2-O 2.94Å; N652-T655 WeakPolarHBondContact O-CA 3.27Å; N652-T655 WeakPolarHBondContact O-CB 3.23Å; N652-T655 PolarHBondContact O-N 3.37Å; N652-T655 PolarHBondContact O-OG1 3.21Å; A653-T655 PolarHBondContact O-N 3.33Å; A653-T655 VanDerWaalsContact O-N 3.15Å; A653-T655 PolarHBondContact O-OG1 2.96Å; T655-T719 HydrophobicContact CG2-CG2 4.42Å; T655-G721 VanDerWaalsContact CG2-O 3.3Å; T655-G721 WeakPolarHBondContact CG2-O 3.18Å
656R86.4Confident85.2Confident130 Ų13033.6 Ų33.649%0.49118%0.177SC..  trans-58.4142.7179.4-68.2178.2173168.1-2.6110.8F599 D718 T719F599-R656 HydrophobicContact CD2-CB 3.79Å; F599-R656 HydrophobicContact CE2-CB 4.11Å; F599-R656 HydrophobicContact CG-CB 4.43Å; R656-D718 PolarHBondContact NH1-O 2.91Å; R656-T719 PolarHBondContact N-O 3.47Å
657C90.7Very high84.8Confident7 Ų734 Ų345%0.04718%0.178CC..  trans-147.2148.6172.448.50000108.7Y597 T598 W645Y597-C657 HydrophobicContact CD1-CB 4.09Å; Y597-C657 HydrophobicContact CG-CB 4.35Å; T598-C657 CarbonylContact O-C 3.58Å; T598-C657 VanDerWaalsContact O-CA 3.25Å; T598-C657 WeakPolarHBondContact O-CA 3.25Å; T598-C657 WeakPolarHBondContact O-CB 3.47Å; W645-C657 WeakPolarHBondContact CB-O 3.49Å; W645-C657 HydrophobicContact CE3-CB 4.15Å; W645-C657 VanDerWaalsContact CE3-O 3.3Å; W645-C657 HydrophobicContact CZ3-CB 4.29Å
658N93.5Very high84.5Confident11 Ų1135 Ų356%0.05919%0.185CC..SBendtrans-143.211.4176.4650.5000112.1T598 F599 S600 Y683 H687T598-N658 PolarHBondContact O-N 3.18Å; T598-N658 PolarHBondContact O-OD1 2.81Å; F599-N658 WeakPolarHBondContact CA-OD1 3.5Å; S600-N658 PolarHBondContact N-OD1 2.94Å; S600-N658 PolarHBondContact O-ND2 3.35Å; N658-Y683 CarbonylContact O-C 3.56Å; N658-Y683 WeakPolarHBondContact O-CB 3.45Å; N658-H687 HydrophobicContact CB-CB 4.06Å
659G93.7Very high84.3Confident0 Ų037.5 Ų37.50%020%0.202CC..EExtended strand (participates in β ladder)trans-155159.4178.800000111.3T598T598-G659 PolarHBondContact N-O 3.43Å; T598-G659 PolarHBondContact O-N 2.98Å; T598-G659 PolarHBondContact OG1-O 3.35Å
660L94.5Very high84.1Confident0 Ų041.3 Ų41.30%022%0.223CC..EExtended strand (participates in β ladder)trans-127.594.7177.8-173.862.5000109.1G595 L596 Y597 I627 Y629 H680 Y683G595-L660 VanDerWaalsContact C-CD1 3.41Å; G595-L660 WeakPolarHBondContact O-CD1 3.4Å; L596-L660 CarbonylContact O-C 3.38Å; L596-L660 WeakPolarHBondContact O-CA 3.35Å; Y597-L660 HydrophobicContact CD1-CD1 4.14Å; Y597-L660 HydrophobicContact CE1-CD1 4.37Å; I627-L660 HydrophobicContact CG2-CD1 3.49Å; I627-L660 VanDerWaalsContact CG2-CD1 3.49Å; I627-L660 HydrophobicContact CG2-CD2 4.31Å; Y629-L660 HydrophobicContact CD1-CD2 3.52Å; Y629-L660 HydrophobicContact CD2-CD2 4.23Å; Y629-L660 HydrophobicContact CE1-CB 4.41Å; Y629-L660 HydrophobicContact CE1-CD2 3.43Å; Y629-L660 VanDerWaalsContact CE1-CD2 3.43Å; Y629-L660 HydrophobicContact CE1-CG 3.99Å; Y629-L660 HydrophobicContact CE2-CD2 4.15Å; Y629-L660 HydrophobicContact CE2-CG 4.47Å; Y629-L660 HydrophobicContact CG-CD2 3.94Å; Y629-L660 PolarHBondContact OH-O 3.3Å; L660-H680 VanDerWaalsContact C-ND1 3.3Å; L660-H680 PolarHBondContact N-ND1 3.2Å; L660-H680 VanDerWaalsContact O-CB 3.27Å; L660-H680 WeakPolarHBondContact O-CB 3.39Å; L660-H680 PolarHBondContact O-ND1 3.35Å; L660-Y683 HydrophobicContact CB-CE2 4.49Å
661L95Very high84.3Confident4 Ų440.9 Ų40.92%0.02123%0.232CC..EExtended strand (participates in β ladder)trans-75.7123.5-175.6-171.780.2000109.8G595 L596 T598 L677 H680 F730 H733 L734 V737G595-L661 CarbonylContact C-O 3.48Å; G595-L661 WeakPolarHBondContact CA-O 3.36Å; L596-L661 PolarHBondContact N-O 3.13Å; L596-L661 PolarHBondContact O-N 2.88Å; T598-L661 HydrophobicContact CG2-CB 3.81Å; L661-L677 HydrophobicContact CD1-CD1 4.18Å; L661-H680 PolarHBondContact N-ND1 2.78Å; L661-F730 HydrophobicContact CD2-CE2 3.5Å; L661-F730 VanDerWaalsContact CD2-CE2 3.5Å; L661-F730 HydrophobicContact CD2-CZ 3.78Å; L661-H733 HydrophobicContact CD2-CB 4.27Å; L661-L734 HydrophobicContact CD2-CD2 4.32Å; L661-V737 HydrophobicContact CD1-CG2 3.95Å; L661-V737 HydrophobicContact CD2-CG2 4.32Å; L661-V737 HydrophobicContact CG-CG2 4.48Å
662P92.7Very high84.4Confident5 Ų542.6 Ų42.63%0.03224%0.243CC..EExtended strand (participates in β ladder)trans-67.6141.8-178.829.7-37000112.5Y673 A676 L677P662-Y673 HydrophobicContact CB-CD2 4.06Å; P662-Y673 HydrophobicContact CB-CE2 3.89Å; P662-Y673 HydrophobicContact CG-CD2 4.21Å; P662-Y673 HydrophobicContact CG-CE2 3.76Å; P662-Y673 WeakPolarHBondContact O-CE2 3.47Å; P662-A676 HydrophobicContact CB-CB 3.71Å; P662-A676 HydrophobicContact CG-CB 4.24Å; P662-L677 HydrophobicContact CG-CB 3.89Å; P662-L677 HydrophobicContact CG-CD1 4.05Å
663L88.6Confident84.5Confident9 Ų942.7 Ų42.75%0.04724%0.243CC..PPolyproline II helixtrans-91.4138166.9-60.8174.6000109.5L577 I594 L596 A626 G665 H733L577-L663 HydrophobicContact CB-CD1 4.42Å; L577-L663 HydrophobicContact CD1-CD1 4.01Å; L577-L663 HydrophobicContact CD1-CD2 4.46Å; I594-L663 HydrophobicContact CG1-CD1 4.49Å; I594-L663 HydrophobicContact CG2-CB 4.01Å; I594-L663 HydrophobicContact CG2-CD1 3.85Å; I594-L663 HydrophobicContact CG2-CG 4.35Å; I594-L663 PolarHBondContact O-N 3.05Å; L596-L663 HydrophobicContact CD1-CD2 3.64Å; L596-L663 HydrophobicContact CD2-CD1 4.14Å; L596-L663 HydrophobicContact CD2-CD2 4.27Å; L596-L663 HydrophobicContact CD2-CG 4.49Å; L596-L663 HydrophobicContact CG-CD1 4.26Å; L596-L663 HydrophobicContact CG-CD2 3.69Å; L596-L663 HydrophobicContact CG-CG 4.06Å; A626-L663 HydrophobicContact CB-CD1 4.45Å; L663-G665 PolarHBondContact O-N 3.14Å; L663-H733 WeakPolarHBondContact CD2-CD2 3.31Å; L663-H733 WeakPolarHBondContact CD2-NE2 3.48Å
664L80.2Confident85Confident86 Ų8642.3 Ų42.345%0.4524%0.241SC..  trans-80.6101.1173.3-173.467.3000108.9Y673 V736L664-Y673 HydrophobicContact CB-CD2 4.05Å; L664-Y673 HydrophobicContact CB-CE2 3.99Å; L664-Y673 HydrophobicContact CD1-CD2 3.81Å; L664-Y673 HydrophobicContact CD1-CE2 4.47Å; L664-Y673 HydrophobicContact CD1-CG 3.9Å; L664-V736 HydrophobicContact CB-CG1 4.02Å; L664-V736 HydrophobicContact CD2-CG1 4.12Å
665G72.6Confident85.7Confident6 Ų644.7 Ų44.76%0.06226%0.258CS..  trans-78.1160.117700000112.6L663 Q667 T668L663-G665 PolarHBondContact O-N 3.14Å; G665-Q667 PolarHBondContact O-N 3.42Å; G665-Q667 VanDerWaalsContact O-N 3.16Å; G665-T668 VanDerWaalsContact CA-OG1 3.25Å; G665-T668 WeakPolarHBondContact CA-OG1 3.42Å; G665-T668 PolarHBondContact N-OG1 3.01Å; G665-T668 VanDerWaalsContact N-OG1 3.14Å; G665-T668 PolarHBondContact O-N 2.9Å; G665-T668 VanDerWaalsContact O-N 3.12Å
666P71.6Confident86.1Confident106 Ų10645 Ų4569%0.68826%0.261SS*.THydrogen-bonded Turntrans-66-19.7-175.825-33000114.1P590P590-P666 HydrophobicContact CB-CG 3.78Å
667Q75.8Confident86.4Confident115 Ų11539 Ų3954%0.53724%0.239SC..THydrogen-bonded Turntrans-118.212.4174.7-62.8-174.74.700112.7P590 K591 G665P590-Q667 HydrophobicContact CB-CB 4.11Å; P590-Q667 HydrophobicContact CB-CG 4.01Å; P590-Q667 HydrophobicContact CG-CB 4.49Å; P590-Q667 HydrophobicContact CG-CG 4.12Å; K591-Q667 VanDerWaalsContact CE-OE1 3.25Å; K591-Q667 HydrophobicContact CG-CB 4.25Å; G665-Q667 PolarHBondContact O-N 3.42Å; G665-Q667 VanDerWaalsContact O-N 3.16Å
668T78.6Confident86.5Confident26 Ų2640.1 Ų40.116%0.1625%0.248CC..  trans-77.8126.9177.6-51.60000109.1G665 D672G665-T668 VanDerWaalsContact CA-OG1 3.25Å; G665-T668 WeakPolarHBondContact CA-OG1 3.42Å; G665-T668 PolarHBondContact N-OG1 3.01Å; G665-T668 VanDerWaalsContact N-OG1 3.14Å; G665-T668 PolarHBondContact O-N 2.9Å; G665-T668 VanDerWaalsContact O-N 3.12Å; T668-D672 HydrophobicContact CG2-CB 4.06Å
669S83.1Confident86.5Confident52 Ų5242.7 Ų42.736%0.36426%0.259SS..  trans-74.2152.2175.477.10000111A671 D672 Y673S669-A671 PolarHBondContact O-N 2.88Å; S669-D672 PolarHBondContact O-N 2.96Å; S669-D672 VanDerWaalsContact O-N 3.08Å; S669-D672 PolarHBondContact OG-N 3.35Å; S669-D672 PolarHBondContact OG-OD2 3.23Å; S669-Y673 PolarHBondContact O-N 3.28Å
670D82.1Confident86.5Confident108 Ų10843.1 Ų43.158%0.57826%0.261SS*.Hα-helixtrans-57.2-33.1176.1-67.4-20.1000112.2G674D670-G674 PolarHBondContact O-N 3.4Å
671A85Confident86.5Confident74 Ų7445 Ų4561%0.61227%0.269SS*.Hα-helixtrans-67.6-41.8176.900000112.3S669 G674 S675S669-A671 PolarHBondContact O-N 2.88Å; A671-G674 PolarHBondContact O-N 3.04Å; A671-S675 WeakPolarHBondContact O-CB 3.27Å; A671-S675 PolarHBondContact O-N 3.15Å
672D85.5Confident86.5Confident97 Ų9752.9 Ų52.952%0.51930%0.299SS..Hα-helixtrans-68.2-43.1177-64-43.2000110.9T668 S669 S675 A676T668-D672 HydrophobicContact CG2-CB 4.06Å; S669-D672 PolarHBondContact O-N 2.96Å; S669-D672 VanDerWaalsContact O-N 3.08Å; S669-D672 PolarHBondContact OG-N 3.35Å; S669-D672 PolarHBondContact OG-OD2 3.23Å; D672-S675 PolarHBondContact O-N 2.84Å; D672-A676 WeakPolarHBondContact O-CB 3.33Å; D672-A676 PolarHBondContact O-N 3.25Å
673Y88Confident86.6Confident3 Ų354 Ų541%0.01230%0.303CS..Hα-helixtrans-60.4-47.2174.7-177-95.4000111.2P662 L664 S669 S675 A676 L677 V737 Y740P662-Y673 HydrophobicContact CB-CD2 4.06Å; P662-Y673 HydrophobicContact CB-CE2 3.89Å; P662-Y673 HydrophobicContact CG-CD2 4.21Å; P662-Y673 HydrophobicContact CG-CE2 3.76Å; P662-Y673 WeakPolarHBondContact O-CE2 3.47Å; L664-Y673 HydrophobicContact CB-CD2 4.05Å; L664-Y673 HydrophobicContact CB-CE2 3.99Å; L664-Y673 HydrophobicContact CD1-CD2 3.81Å; L664-Y673 HydrophobicContact CD1-CE2 4.47Å; L664-Y673 HydrophobicContact CD1-CG 3.9Å; S669-Y673 PolarHBondContact O-N 3.28Å; Y673-S675 PolarHBondContact O-N 2.84Å; Y673-A676 PolarHBondContact O-N 3.39Å; Y673-L677 HydrophobicContact CE1-CD2 4.18Å; Y673-L677 WeakPolarHBondContact O-CB 3.35Å; Y673-L677 PolarHBondContact O-N 3.16Å; Y673-V737 WeakPolarHBondContact OH-CG2 3.44Å; Y673-Y740 HydrophobicContact CD1-CD1 4.39Å; Y673-Y740 AromaticContact CD1-CD2 3.54Å; Y673-Y740 HydrophobicContact CD1-CD2 3.54Å; Y673-Y740 AromaticContact CD1-CE2 3.83Å; Y673-Y740 HydrophobicContact CD1-CE2 3.83Å; Y673-Y740 AromaticContact CD1-CG 3.84Å; Y673-Y740 HydrophobicContact CD1-CG 3.84Å; Y673-Y740 HydrophobicContact CE1-CD1 4.16Å; Y673-Y740 AromaticContact CE1-CD2 3.86Å; Y673-Y740 HydrophobicContact CE1-CD2 3.86Å; Y673-Y740 HydrophobicContact CE1-CE2 4.49Å; Y673-Y740 AromaticContact CE1-CG 3.66Å; Y673-Y740 HydrophobicContact CE1-CG 3.66Å
674G89.2Confident86.8Confident14 Ų1453.5 Ų53.514%0.14430%0.3CS..Hα-helixtrans-60.1-41.4176.900000113.3D670 A671 L677 A678 Y740D670-G674 PolarHBondContact O-N 3.4Å; A671-G674 PolarHBondContact O-N 3.04Å; G674-L677 PolarHBondContact O-N 3.17Å; G674-A678 WeakPolarHBondContact O-CB 3.26Å; G674-A678 PolarHBondContact O-N 3.17Å; G674-Y740 VanDerWaalsContact CA-OH 3.26Å; G674-Y740 WeakPolarHBondContact CA-OH 3.46Å
675S90.9Very high87.5Confident81 Ų8155 Ų5557%0.56630%0.301SS*.Hα-helixtrans-63.7-44.1175.2-174.60000112.1A671 D672 Y673 A678 K679A671-S675 WeakPolarHBondContact O-CB 3.27Å; A671-S675 PolarHBondContact O-N 3.15Å; D672-S675 PolarHBondContact O-N 2.84Å; Y673-S675 PolarHBondContact O-N 2.84Å; S675-A678 PolarHBondContact O-N 3.02Å; S675-K679 PolarHBondContact O-N 2.64Å
676A90.7Very high88.5Confident12 Ų1261.8 Ų61.810%0.09933%0.331CS..Hα-helixtrans-66.2-38.8177.200000111.8Y629 P662 D672 Y673 K679 H680Y629-A676 HydrophobicContact CE2-CB 4.29Å; P662-A676 HydrophobicContact CB-CB 3.71Å; P662-A676 HydrophobicContact CG-CB 4.24Å; D672-A676 WeakPolarHBondContact O-CB 3.33Å; D672-A676 PolarHBondContact O-N 3.25Å; Y673-A676 PolarHBondContact O-N 3.39Å; A676-K679 WeakPolarHBondContact O-CA 3.49Å; A676-K679 VanDerWaalsContact O-CB 3.3Å; A676-K679 WeakPolarHBondContact O-CB 3.34Å; A676-K679 PolarHBondContact O-N 3.08Å; A676-K679 VanDerWaalsContact O-N 3.14Å; A676-H680 PolarHBondContact O-N 3.01Å
677L92.7Very high89.3Confident4 Ų460.8 Ų60.82%0.02132%0.316CS..Hα-helixtrans-66.4-41.2176-174.363000111.4L661 P662 Y673 G674 K679 H680 Q681 V737 Y740 Y741L661-L677 HydrophobicContact CD1-CD1 4.18Å; P662-L677 HydrophobicContact CG-CB 3.89Å; P662-L677 HydrophobicContact CG-CD1 4.05Å; Y673-L677 HydrophobicContact CE1-CD2 4.18Å; Y673-L677 WeakPolarHBondContact O-CB 3.35Å; Y673-L677 PolarHBondContact O-N 3.16Å; G674-L677 PolarHBondContact O-N 3.17Å; L677-K679 PolarHBondContact O-N 3.23Å; L677-H680 WeakPolarHBondContact O-CB 3.35Å; L677-H680 PolarHBondContact O-N 3.44Å; L677-Q681 VanDerWaalsContact O-CG 3.27Å; L677-Q681 WeakPolarHBondContact O-CG 3.48Å; L677-Q681 PolarHBondContact O-N 3.2Å; L677-V737 HydrophobicContact CD1-CG1 4.19Å; L677-V737 HydrophobicContact CD1-CG2 4.31Å; L677-V737 HydrophobicContact CD2-CG1 4.11Å; L677-Y740 HydrophobicContact CD2-CD1 3.82Å; L677-Y740 HydrophobicContact CD2-CE1 4.02Å; L677-Y741 HydrophobicContact CD2-CE2 4.43Å
678A92.8Very high90.1Very high29 Ų2956.9 Ų56.924%0.2430%0.301CS..Hα-helixtrans-61.9-33.1172.400000111.9G674 S675 R682G674-A678 WeakPolarHBondContact O-CB 3.26Å; G674-A678 PolarHBondContact O-N 3.17Å; S675-A678 PolarHBondContact O-N 3.02Å; A678-R682 WeakPolarHBondContact O-CG 3.48Å; A678-R682 PolarHBondContact O-N 2.95Å; A678-R682 VanDerWaalsContact O-N 3.14Å
679K93.1Very high90.6Very high65 Ų6558.2 Ų58.228%0.28332%0.319SS..Hα-helixtrans-66.7-45.8173.4-162.4-177.2-178-165.80111.6Y629 S675 A676 L677 Q681 R682 Y683Y629-K679 HydrophobicContact CD1-CD 3.93Å; Y629-K679 HydrophobicContact CE1-CD 3.9Å; S675-K679 PolarHBondContact O-N 2.64Å; A676-K679 WeakPolarHBondContact O-CA 3.49Å; A676-K679 VanDerWaalsContact O-CB 3.3Å; A676-K679 WeakPolarHBondContact O-CB 3.34Å; A676-K679 PolarHBondContact O-N 3.08Å; A676-K679 VanDerWaalsContact O-N 3.14Å; L677-K679 PolarHBondContact O-N 3.23Å; K679-Q681 VanDerWaalsContact C-N 3.31Å; K679-Q681 PolarHBondContact O-N 2.9Å; K679-R682 PolarHBondContact O-N 3.26Å; K679-Y683 HydrophobicContact CD-CE2 4.07Å; K679-Y683 WeakPolarHBondContact CE-OH 3.32Å; K679-Y683 HydrophobicContact CG-CD2 4.31Å; K679-Y683 HydrophobicContact CG-CE2 3.77Å; K679-Y683 PolarHBondContact NZ-OH 3.46Å; K679-Y683 WeakPolarHBondContact O-CD2 3.48Å; K679-Y683 PolarHBondContact O-N 3.26Å; K679-Y683 VanDerWaalsContact O-N 3.14Å
680H94.7Very high91.1Very high9 Ų956.5 Ų56.54%0.04231%0.305CS..Hα-helixtrans-52.8-48.6172.5174.372.2000111.8T598 L660 L661 A676 L677 R682 Y683 V684T598-H680 PolarHBondContact OG1-CE1 3.16Å; T598-H680 VanDerWaalsContact OG1-CE1 3.26Å; L660-H680 VanDerWaalsContact C-ND1 3.3Å; L660-H680 PolarHBondContact N-ND1 3.2Å; L660-H680 VanDerWaalsContact O-CB 3.27Å; L660-H680 WeakPolarHBondContact O-CB 3.39Å; L660-H680 PolarHBondContact O-ND1 3.35Å; L661-H680 PolarHBondContact N-ND1 2.78Å; A676-H680 PolarHBondContact O-N 3.01Å; L677-H680 WeakPolarHBondContact O-CB 3.35Å; L677-H680 PolarHBondContact O-N 3.44Å; H680-R682 VanDerWaalsContact C-N 3.35Å; H680-R682 PolarHBondContact O-N 3.41Å; H680-Y683 WeakPolarHBondContact O-CB 3.3Å; H680-Y683 PolarHBondContact O-N 2.91Å; H680-Y683 VanDerWaalsContact O-N 3.11Å; H680-V684 PolarHBondContact O-N 3.29Å
681Q94.9Very high91.5Very high39 Ų3957 Ų5718%0.18231%0.308CS..Hα-helixtrans-61.1-41.3-179.8-68.3164.9300112.7L677 K679 Y683 V684 Y685 F693 Y741L677-Q681 VanDerWaalsContact O-CG 3.27Å; L677-Q681 WeakPolarHBondContact O-CG 3.48Å; L677-Q681 PolarHBondContact O-N 3.2Å; K679-Q681 VanDerWaalsContact C-N 3.31Å; K679-Q681 PolarHBondContact O-N 2.9Å; Q681-Y683 VanDerWaalsContact C-N 3.3Å; Q681-Y683 PolarHBondContact O-N 2.99Å; Q681-V684 PolarHBondContact O-N 3.44Å; Q681-Y685 WeakPolarHBondContact O-CB 3.35Å; Q681-Y685 PolarHBondContact O-N 3.5Å; Q681-F693 HydrophobicContact CB-CD1 4.17Å; Q681-F693 HydrophobicContact CB-CD2 3.83Å; Q681-F693 HydrophobicContact CB-CE1 4.2Å; Q681-F693 HydrophobicContact CB-CE2 3.87Å; Q681-F693 HydrophobicContact CB-CG 3.97Å; Q681-F693 HydrophobicContact CB-CZ 4.06Å; Q681-F693 HydrophobicContact CG-CB 4.06Å; Q681-F693 HydrophobicContact CG-CD1 3.73Å; Q681-F693 HydrophobicContact CG-CD2 4.08Å; Q681-F693 HydrophobicContact CG-CE1 4.14Å; Q681-F693 HydrophobicContact CG-CE2 4.46Å; Q681-F693 HydrophobicContact CG-CG 3.69Å; Q681-F693 HydrophobicContact CG-CZ 4.48Å; Q681-F693 VanDerWaalsContact O-CZ 3.32Å; Q681-F693 WeakPolarHBondContact O-CZ 3.28Å; Q681-Y741 PolarHBondContact NE2-OH 3.14Å
682R94.9Very high91.6Very high170 Ų17058.3 Ų58.364%0.64231%0.305SS*.Hα-helixtrans-61.6-39.7174.9-72.8178.7-169.6128.42112A678 K679 H680 Y685 H686A678-R682 WeakPolarHBondContact O-CG 3.48Å; A678-R682 PolarHBondContact O-N 2.95Å; A678-R682 VanDerWaalsContact O-N 3.14Å; K679-R682 PolarHBondContact O-N 3.26Å; H680-R682 VanDerWaalsContact C-N 3.35Å; H680-R682 PolarHBondContact O-N 3.41Å; R682-Y685 PolarHBondContact O-N 3.36Å; R682-H686 WeakPolarHBondContact O-CB 3.46Å; R682-H686 PolarHBondContact O-N 3.28Å
683Y94Very high91.9Very high28 Ų2855.7 Ų55.711%0.1129%0.289CS..Hα-helixtrans-62.6-46.9175.8-68.1-52000111.5E644 W645 N658 L660 K679 H680 Q681 H686 H687E644-Y683 WeakPolarHBondContact OE1-CE1 3.38Å; E644-Y683 PolarHBondContact OE1-OH 3.13Å; W645-Y683 HydrophobicContact CH2-CD2 4.29Å; W645-Y683 HydrophobicContact CH2-CG 4.3Å; W645-Y683 AromaticContact CZ2-CD1 3.62Å; W645-Y683 HydrophobicContact CZ2-CD1 3.62Å; W645-Y683 HydrophobicContact CZ2-CD2 4.04Å; W645-Y683 AromaticContact CZ2-CE1 3.96Å; W645-Y683 HydrophobicContact CZ2-CE1 3.96Å; W645-Y683 HydrophobicContact CZ2-CE2 4.38Å; W645-Y683 AromaticContact CZ2-CG 3.63Å; W645-Y683 HydrophobicContact CZ2-CG 3.63Å; N658-Y683 CarbonylContact O-C 3.56Å; N658-Y683 WeakPolarHBondContact O-CB 3.45Å; L660-Y683 HydrophobicContact CB-CE2 4.49Å; K679-Y683 HydrophobicContact CD-CE2 4.07Å; K679-Y683 WeakPolarHBondContact CE-OH 3.32Å; K679-Y683 HydrophobicContact CG-CD2 4.31Å; K679-Y683 HydrophobicContact CG-CE2 3.77Å; K679-Y683 PolarHBondContact NZ-OH 3.46Å; K679-Y683 WeakPolarHBondContact O-CD2 3.48Å; K679-Y683 PolarHBondContact O-N 3.26Å; K679-Y683 VanDerWaalsContact O-N 3.14Å; H680-Y683 WeakPolarHBondContact O-CB 3.3Å; H680-Y683 PolarHBondContact O-N 2.91Å; H680-Y683 VanDerWaalsContact O-N 3.11Å; Q681-Y683 VanDerWaalsContact C-N 3.3Å; Q681-Y683 PolarHBondContact O-N 2.99Å; Y683-H686 PolarHBondContact O-N 3.48Å; Y683-H687 PolarHBondContact O-N 2.9Å; Y683-H687 PolarHBondContact O-ND1 3.38Å
684V93.6Very high91.9Very high0 Ų056.4 Ų56.40%030%0.297CS..Hα-helixtrans-62.5-47.1176.9176.20000110.9I618 H680 Q681 H686 H687 T688 F693I618-V684 HydrophobicContact CG2-CG1 4.22Å; H680-V684 PolarHBondContact O-N 3.29Å; Q681-V684 PolarHBondContact O-N 3.44Å; V684-H686 VanDerWaalsContact C-N 3.33Å; V684-H686 PolarHBondContact O-N 2.98Å; V684-H687 PolarHBondContact O-N 3.44Å; V684-T688 HydrophobicContact CG1-CG2 4.08Å; V684-T688 WeakPolarHBondContact O-CB 3.48Å; V684-T688 WeakPolarHBondContact O-CG2 3.35Å; V684-T688 PolarHBondContact O-N 3.38Å; V684-T688 PolarHBondContact O-OG1 2.86Å; V684-F693 HydrophobicContact CB-CE1 4.2Å; V684-F693 HydrophobicContact CB-CZ 4Å; V684-F693 HydrophobicContact CG1-CE1 4.03Å; V684-F693 HydrophobicContact CG1-CZ 3.98Å
685Y94.8Very high91.7Very high117 Ų11757 Ų5746%0.45930%0.297SS..Hα-helixtrans-56.4-45.8177.2172.2-107.7000112.1Q681 R682 H687 T688 G689 F690 N691Q681-Y685 WeakPolarHBondContact O-CB 3.35Å; Q681-Y685 PolarHBondContact O-N 3.5Å; R682-Y685 PolarHBondContact O-N 3.36Å; Y685-H687 PolarHBondContact O-N 3.45Å; Y685-T688 PolarHBondContact O-N 2.99Å; Y685-G689 VanDerWaalsContact O-CA 3.29Å; Y685-G689 WeakPolarHBondContact O-CA 3.4Å; Y685-G689 PolarHBondContact O-N 3.46Å; Y685-F690 WeakPolarHBondContact CA-O 3.19Å; Y685-F690 WeakPolarHBondContact CB-O 3.11Å; Y685-F690 VanDerWaalsContact CD2-O 3.32Å; Y685-F690 WeakPolarHBondContact CD2-O 3.26Å; Y685-N691 HydrophobicContact CD2-CB 3.84Å; Y685-N691 HydrophobicContact CE2-CB 3.84Å
686H92.3Very high91.2Very high149 Ų14958.1 Ų58.169%0.6929%0.289SS*.Hα-helixtrans-59.7-33.7-179.2-175.8-86.6000112.9R682 Y683 V684R682-H686 WeakPolarHBondContact O-CB 3.46Å; R682-H686 PolarHBondContact O-N 3.28Å; Y683-H686 PolarHBondContact O-N 3.48Å; V684-H686 VanDerWaalsContact C-N 3.33Å; V684-H686 PolarHBondContact O-N 2.98Å
687H89.5Confident91Very high84 Ų8457.8 Ų57.839%0.38929%0.286SS..Hα-helixtrans-96.1-23.5-176.6-6683.9000114.1W645 N658 Y683 V684 Y685W645-H687 AromaticContact CD1-CE1 3.18Å; W645-H687 AromaticContact CD1-NE2 3.14Å; W645-H687 AromaticContact NE1-CE1 3.04Å; W645-H687 PolarHBondContact NE1-CE1 3.38Å; W645-H687 AromaticContact NE1-ND1 3.85Å; W645-H687 AromaticContact NE1-NE2 3.56Å; N658-H687 HydrophobicContact CB-CB 4.06Å; Y683-H687 PolarHBondContact O-N 2.9Å; Y683-H687 PolarHBondContact O-ND1 3.38Å; V684-H687 PolarHBondContact O-N 3.44Å; Y685-H687 PolarHBondContact O-N 3.45Å
688T91.3Very high90.8Very high33 Ų3358.4 Ų58.420%0.20229%0.29CS..Hα-helixtrans-115.7-18.8-171.867.20000113.4S600 V602 V684 Y685 F690S600-T688 VanDerWaalsContact O-CG2 3.28Å; S600-T688 WeakPolarHBondContact O-CG2 3.39Å; V602-T688 HydrophobicContact CG2-CG2 4.47Å; V602-T688 WeakPolarHBondContact CG2-O 3.49Å; V684-T688 HydrophobicContact CG1-CG2 4.08Å; V684-T688 WeakPolarHBondContact O-CB 3.48Å; V684-T688 WeakPolarHBondContact O-CG2 3.35Å; V684-T688 PolarHBondContact O-N 3.38Å; V684-T688 PolarHBondContact O-OG1 2.86Å; Y685-T688 PolarHBondContact O-N 2.99Å; T688-F690 PolarHBondContact O-N 3.49Å; T688-F690 WeakPolarHBondContact OG1-CB 3.21Å; T688-F690 PolarHBondContact OG1-N 2.99Å
689G90.4Very high90.3Very high54 Ų5457.8 Ų57.856%0.55728%0.284SS*.  trans72.11.4-170.200000114.4Y685Y685-G689 VanDerWaalsContact O-CA 3.29Å; Y685-G689 WeakPolarHBondContact O-CA 3.4Å; Y685-G689 PolarHBondContact O-N 3.46Å
690F92.4Very high89.9Confident16 Ų1654.9 Ų54.97%0.0727%0.271CS..  trans-79.5126-178.1-177.8-89.3000111.7V602 K616 I618 Y685 T688 D692 F693 T697V602-F690 HydrophobicContact CG1-CD2 4.48Å; V602-F690 HydrophobicContact CG2-CB 4.05Å; K616-F690 WeakPolarHBondContact O-CE2 3.28Å; I618-F690 HydrophobicContact CG2-CB 3.99Å; I618-F690 HydrophobicContact CG2-CD1 3.46Å; I618-F690 VanDerWaalsContact CG2-CD1 3.46Å; I618-F690 HydrophobicContact CG2-CD2 4.15Å; I618-F690 HydrophobicContact CG2-CE1 3.96Å; I618-F690 HydrophobicContact CG2-CG 3.57Å; I618-F690 HydrophobicContact CG2-CZ 4.48Å; Y685-F690 WeakPolarHBondContact CA-O 3.19Å; Y685-F690 WeakPolarHBondContact CB-O 3.11Å; Y685-F690 VanDerWaalsContact CD2-O 3.32Å; Y685-F690 WeakPolarHBondContact CD2-O 3.26Å; T688-F690 PolarHBondContact O-N 3.49Å; T688-F690 WeakPolarHBondContact OG1-CB 3.21Å; T688-F690 PolarHBondContact OG1-N 2.99Å; F690-D692 VanDerWaalsContact CE1-C 3.47Å; F690-D692 HydrophobicContact CE1-CB 4.29Å; F690-D692 WeakPolarHBondContact CE1-O 3.42Å; F690-D692 HydrophobicContact CE2-CB 4.28Å; F690-D692 HydrophobicContact CZ-CB 3.8Å; F690-D692 WeakPolarHBondContact CZ-O 3.36Å; F690-F693 HydrophobicContact CD1-CD1 4.15Å; F690-F693 AromaticContact CD1-CE1 3.75Å; F690-F693 HydrophobicContact CD1-CE1 3.75Å; F690-F693 HydrophobicContact CD1-CE2 4.29Å; F690-F693 AromaticContact CD1-CZ 3.83Å; F690-F693 HydrophobicContact CD1-CZ 3.83Å; F690-F693 HydrophobicContact CE1-CD1 4.06Å; F690-F693 HydrophobicContact CE1-CE1 4.12Å; F690-F693 HydrophobicContact CE1-CG 4.42Å; F690-F693 WeakPolarHBondContact O-CE2 3.43Å; F690-F693 WeakPolarHBondContact O-CZ 3.31Å; F690-T697 HydrophobicContact CE1-CG2 3.57Å; F690-T697 HydrophobicContact CZ-CG2 3.66Å
691N90Very high89.6Confident119 Ų11954.8 Ų54.864%0.63627%0.271SS*.  trans-122.4-8.7-172.2-165.227.6000114.8Y685 F693Y685-N691 HydrophobicContact CD2-CB 3.84Å; Y685-N691 HydrophobicContact CE2-CB 3.84Å; N691-F693 VanDerWaalsContact C-N 3.31Å; N691-F693 PolarHBondContact O-N 3.49Å
692D89.1Confident89.2Confident101 Ų10153 Ų5354%0.5426%0.263SS..  trans-87.765.4-175.7-17018.7000111.4F690 T697F690-D692 VanDerWaalsContact CE1-C 3.47Å; F690-D692 HydrophobicContact CE1-CB 4.29Å; F690-D692 WeakPolarHBondContact CE1-O 3.42Å; F690-D692 HydrophobicContact CE2-CB 4.28Å; F690-D692 HydrophobicContact CZ-CB 3.8Å; F690-D692 WeakPolarHBondContact CZ-O 3.36Å; D692-T697 WeakPolarHBondContact O-CB 3.44Å; D692-T697 PolarHBondContact O-OG1 3.17Å
693F90.9Very high88.6Confident43 Ų4346.3 Ų46.319%0.18924%0.238CC..  trans-84.6132.4-179.9-60.2-78.9000111.7I618 Q681 V684 F690 N691I618-F693 HydrophobicContact CD1-CE1 4.25Å; Q681-F693 HydrophobicContact CB-CD1 4.17Å; Q681-F693 HydrophobicContact CB-CD2 3.83Å; Q681-F693 HydrophobicContact CB-CE1 4.2Å; Q681-F693 HydrophobicContact CB-CE2 3.87Å; Q681-F693 HydrophobicContact CB-CG 3.97Å; Q681-F693 HydrophobicContact CB-CZ 4.06Å; Q681-F693 HydrophobicContact CG-CB 4.06Å; Q681-F693 HydrophobicContact CG-CD1 3.73Å; Q681-F693 HydrophobicContact CG-CD2 4.08Å; Q681-F693 HydrophobicContact CG-CE1 4.14Å; Q681-F693 HydrophobicContact CG-CE2 4.46Å; Q681-F693 HydrophobicContact CG-CG 3.69Å; Q681-F693 HydrophobicContact CG-CZ 4.48Å; Q681-F693 VanDerWaalsContact O-CZ 3.32Å; Q681-F693 WeakPolarHBondContact O-CZ 3.28Å; V684-F693 HydrophobicContact CB-CE1 4.2Å; V684-F693 HydrophobicContact CB-CZ 4Å; V684-F693 HydrophobicContact CG1-CE1 4.03Å; V684-F693 HydrophobicContact CG1-CZ 3.98Å; F690-F693 HydrophobicContact CD1-CD1 4.15Å; F690-F693 AromaticContact CD1-CE1 3.75Å; F690-F693 HydrophobicContact CD1-CE1 3.75Å; F690-F693 HydrophobicContact CD1-CE2 4.29Å; F690-F693 AromaticContact CD1-CZ 3.83Å; F690-F693 HydrophobicContact CD1-CZ 3.83Å; F690-F693 HydrophobicContact CE1-CD1 4.06Å; F690-F693 HydrophobicContact CE1-CE1 4.12Å; F690-F693 HydrophobicContact CE1-CG 4.42Å; F690-F693 WeakPolarHBondContact O-CE2 3.43Å; F690-F693 WeakPolarHBondContact O-CZ 3.31Å; N691-F693 VanDerWaalsContact C-N 3.31Å; N691-F693 PolarHBondContact O-N 3.49Å
694G88Confident88.2Confident18 Ų1846.7 Ų46.719%0.18624%0.24CC..SBendtrans173.5-171.8178.300000111.3R696 T697 S698G694-R696 VanDerWaalsContact C-N 3.29Å; G694-R696 PolarHBondContact O-N 3.2Å; G694-T697 PolarHBondContact O-N 3.38Å; G694-S698 PolarHBondContact O-N 2.71Å; G694-S698 PolarHBondContact O-OG 3.44Å
695L84.1Confident87.9Confident27 Ų2746.7 Ų46.714%0.14124%0.24CC..Hα-helixtrans-54.4-45-179.1-179.157000112.5T697 S698 V699 C738 Y741 I742 H751L695-T697 PolarHBondContact O-N 3.24Å; L695-S698 PolarHBondContact O-N 3.15Å; L695-V699 HydrophobicContact CD1-CG2 3.86Å; L695-V699 HydrophobicContact CG-CG2 4.28Å; L695-V699 WeakPolarHBondContact O-CB 3.5Å; L695-V699 VanDerWaalsContact O-CG2 3.25Å; L695-V699 WeakPolarHBondContact O-CG2 3.35Å; L695-V699 PolarHBondContact O-N 3.48Å; L695-C738 HydrophobicContact CD1-CB 4.07Å; L695-Y741 HydrophobicContact CB-CG 4.37Å; L695-I742 HydrophobicContact CD1-CD1 4.26Å; L695-I742 HydrophobicContact CD1-CG1 3.83Å; L695-I742 HydrophobicContact CD2-CG1 3.74Å; L695-I742 HydrophobicContact CG-CG1 4.47Å; L695-H751 WeakPolarHBondContact CD2-NE2 3.21Å
696R80.6Confident87.4Confident104 Ų10443.3 Ų43.339%0.39223%0.229SC..Hα-helixtrans-56.1-50.1-179.8-179.1179.2179.4-164.83.7111.8G694 V699 H700G694-R696 VanDerWaalsContact C-N 3.29Å; G694-R696 PolarHBondContact O-N 3.2Å; R696-V699 PolarHBondContact O-N 3.29Å; R696-H700 PolarHBondContact O-CD2 3.29Å; R696-H700 PolarHBondContact O-N 2.88Å
697T87.9Confident86.8Confident5 Ų541.7 Ų41.73%0.03122%0.22CC..Hα-helixtrans-64.2-43.8179.7-61.10000111.5I618 F690 D692 G694 L695 V699 H700 D701I618-T697 HydrophobicContact CD1-CG2 4.03Å; I618-T697 HydrophobicContact CG1-CG2 3.72Å; F690-T697 HydrophobicContact CE1-CG2 3.57Å; F690-T697 HydrophobicContact CZ-CG2 3.66Å; D692-T697 WeakPolarHBondContact O-CB 3.44Å; D692-T697 PolarHBondContact O-OG1 3.17Å; G694-T697 PolarHBondContact O-N 3.38Å; L695-T697 PolarHBondContact O-N 3.24Å; T697-V699 VanDerWaalsContact C-N 3.32Å; T697-V699 PolarHBondContact O-N 2.92Å; T697-H700 PolarHBondContact O-N 2.87Å; T697-D701 WeakPolarHBondContact O-CB 3.39Å; T697-D701 PolarHBondContact O-N 2.84Å
698S87.9Confident86.5Confident17 Ų1739.2 Ų39.212%0.11921%0.208CC..Hα-helixtrans-63.7-37.4178.4-61.60000113G694 L695 D701 L702 V737 Y741G694-S698 PolarHBondContact O-N 2.71Å; G694-S698 PolarHBondContact O-OG 3.44Å; L695-S698 PolarHBondContact O-N 3.15Å; S698-D701 PolarHBondContact O-N 3.37Å; S698-L702 PolarHBondContact O-N 3.27Å; S698-V737 WeakPolarHBondContact OG-CG1 3.2Å; S698-Y741 WeakPolarHBondContact OG-CE2 3.48Å
699V82.2Confident86.1Confident16 Ų1639 Ų3910%0.09721%0.205CC..Hα-helixtrans-68.2-40.5175.6170.10000111.2L695 R696 T697 D701 K703 C738 H779L695-V699 HydrophobicContact CD1-CG2 3.86Å; L695-V699 HydrophobicContact CG-CG2 4.28Å; L695-V699 WeakPolarHBondContact O-CB 3.5Å; L695-V699 VanDerWaalsContact O-CG2 3.25Å; L695-V699 WeakPolarHBondContact O-CG2 3.35Å; L695-V699 PolarHBondContact O-N 3.48Å; R696-V699 PolarHBondContact O-N 3.29Å; T697-V699 VanDerWaalsContact C-N 3.32Å; T697-V699 PolarHBondContact O-N 2.92Å; V699-D701 VanDerWaalsContact C-N 3.35Å; V699-K703 WeakPolarHBondContact O-CB 3.38Å; V699-K703 PolarHBondContact O-N 3Å; V699-C738 HydrophobicContact CG2-CB 4.49Å; V699-H779 HydrophobicContact CG1-CB 3.49Å; V699-H779 VanDerWaalsContact CG1-CB 3.49Å
700H83.9Confident85.6Confident4 Ų440.5 Ų40.52%0.01921%0.212CC..Hα-helixtrans-64.7-39.7173.8-73.5-48.9000112.2I605 S617 R696 T697 K703 F704 H779I605-H700 VanDerWaalsContact CG2-CE1 3.47Å; I605-H700 WeakPolarHBondContact CG2-CE1 3.35Å; S617-H700 WeakPolarHBondContact OG-CB 3.36Å; R696-H700 PolarHBondContact O-CD2 3.29Å; R696-H700 PolarHBondContact O-N 2.88Å; T697-H700 PolarHBondContact O-N 2.87Å; H700-K703 WeakPolarHBondContact O-CB 3.47Å; H700-K703 PolarHBondContact O-N 2.64Å; H700-F704 HydrophobicContact CB-CD2 4.41Å; H700-F704 HydrophobicContact CB-CE2 4.08Å; H700-F704 WeakPolarHBondContact O-CD2 3.37Å; H700-F704 VanDerWaalsContact O-CG 3.28Å; H700-F704 WeakPolarHBondContact O-CG 3.45Å; H700-F704 PolarHBondContact O-N 2.84Å; H700-H779 AromaticContact CE1-CD2 3.7Å; H700-H779 AromaticContact CE1-CE1 3.71Å; H700-H779 AromaticContact CE1-NE2 3.22Å; H700-H779 PolarHBondContact CE1-NE2 3.13Å; H700-H779 AromaticContact ND1-CD2 3.58Å; H700-H779 AromaticContact ND1-NE2 3.37Å; H700-H779 PolarHBondContact ND1-NE2 2.85Å
701D89.1Confident84.9Confident6 Ų646.6 Ų46.63%0.03224%0.239CC..Hα-helixtrans-61.4-48.9177.9-160.67.6000111.3I618 F619 T620 T697 S698 V699 K703 F704 L705I618-D701 HydrophobicContact CG1-CB 4.27Å; F619-D701 VanDerWaalsContact CA-OD1 3.31Å; F619-D701 WeakPolarHBondContact CA-OD1 3.33Å; T620-D701 WeakPolarHBondContact CB-OD1 3.37Å; T620-D701 WeakPolarHBondContact CB-OD2 3.46Å; T620-D701 PolarHBondContact N-OD1 2.92Å; T620-D701 PolarHBondContact OG1-OD1 3.4Å; T620-D701 PolarHBondContact OG1-OD2 3.5Å; T697-D701 WeakPolarHBondContact O-CB 3.39Å; T697-D701 PolarHBondContact O-N 2.84Å; S698-D701 PolarHBondContact O-N 3.37Å; V699-D701 VanDerWaalsContact C-N 3.35Å; D701-K703 VanDerWaalsContact C-N 3.34Å; D701-K703 PolarHBondContact O-N 2.98Å; D701-F704 PolarHBondContact O-N 2.62Å; D701-L705 PolarHBondContact O-N 3.49Å; D701-L705 VanDerWaalsContact O-N 3.13Å
702L86.6Confident84.3Confident3 Ų342.2 Ų42.22%0.01622%0.222CC..Hα-helixtrans-56.3-47.3172.9-178.968.4000111.6S698 F704 L705 M706 L731 L734 F783S698-L702 PolarHBondContact O-N 3.27Å; L702-F704 PolarHBondContact O-N 3.2Å; L702-L705 PolarHBondContact O-N 3.32Å; L702-M706 HydrophobicContact CG-SD 4.25Å; L702-M706 WeakPolarHBondContact O-CG 3.27Å; L702-M706 PolarHBondContact O-N 3.14Å; L702-L731 HydrophobicContact CD1-CB 4.35Å; L702-L731 HydrophobicContact CD1-CD2 3.62Å; L702-L734 HydrophobicContact CB-CB 4.42Å; L702-L734 HydrophobicContact CD1-CB 3.9Å; L702-L734 HydrophobicContact CD1-CD1 4.48Å; L702-F783 HydrophobicContact CD2-CD2 3.92Å
703K81.8Confident84Confident28 Ų2841.4 Ų41.412%0.12222%0.215CC..Hα-helixtrans-55.8-52.9177.4173.5-175.170.9172.80111V699 H700 D701 L705 M706 F707 H779V699-K703 WeakPolarHBondContact O-CB 3.38Å; V699-K703 PolarHBondContact O-N 3Å; H700-K703 WeakPolarHBondContact O-CB 3.47Å; H700-K703 PolarHBondContact O-N 2.64Å; D701-K703 VanDerWaalsContact C-N 3.34Å; D701-K703 PolarHBondContact O-N 2.98Å; K703-L705 VanDerWaalsContact C-N 3.27Å; K703-L705 PolarHBondContact O-N 3.44Å; K703-M706 PolarHBondContact O-N 3Å; K703-F707 HydrophobicContact CD-CD2 4.12Å; K703-F707 HydrophobicContact CD-CE2 3.85Å; K703-F707 HydrophobicContact CG-CD2 3.44Å; K703-F707 VanDerWaalsContact CG-CD2 3.44Å; K703-F707 HydrophobicContact CG-CE2 3.55Å; K703-F707 WeakPolarHBondContact O-CD2 3.48Å; K703-F707 PolarHBondContact O-N 3.26Å; K703-H779 PolarHBondContact NZ-NE2 2.99Å
704F85.7Confident83.5Confident37 Ų3740.8 Ų40.816%0.16222%0.216CC..Hα-helixtrans-60.4-40.3-175.5-71.5-49.5000112.1V603 F619 H700 D701 L702 F707 R708V603-F704 HydrophobicContact CG2-CD2 3.84Å; V603-F704 HydrophobicContact CG2-CE2 3.35Å; V603-F704 HydrophobicContact CG2-CZ 3.73Å; F619-F704 HydrophobicContact CD2-CB 3.47Å; F619-F704 VanDerWaalsContact CD2-CB 3.47Å; F619-F704 HydrophobicContact CD2-CG 4.46Å; F619-F704 HydrophobicContact CE2-CB 4.06Å; F619-F704 HydrophobicContact CG-CB 4.41Å; H700-F704 HydrophobicContact CB-CD2 4.41Å; H700-F704 HydrophobicContact CB-CE2 4.08Å; H700-F704 WeakPolarHBondContact O-CD2 3.37Å; H700-F704 VanDerWaalsContact O-CG 3.28Å; H700-F704 WeakPolarHBondContact O-CG 3.45Å; H700-F704 PolarHBondContact O-N 2.84Å; D701-F704 PolarHBondContact O-N 2.62Å; L702-F704 PolarHBondContact O-N 3.2Å; F704-F707 PolarHBondContact O-N 3.02Å; F704-R708 WeakPolarHBondContact O-CB 3.2Å; F704-R708 PolarHBondContact O-N 2.98Å
705L87.5Confident83.2Confident0 Ų039.9 Ų39.90%021%0.207CC..Hα-helixtrans-63.2-46175.9-167.259.3000111.7F619 V621 D701 L702 K703 F707 R708 I709 L715 N727 F730 L731 L734F619-L705 HydrophobicContact CE2-CB 4.23Å; F619-L705 HydrophobicContact CE2-CD1 3.97Å; F619-L705 HydrophobicContact CZ-CD1 4.12Å; V621-L705 HydrophobicContact CG1-CD1 3.97Å; D701-L705 PolarHBondContact O-N 3.49Å; D701-L705 VanDerWaalsContact O-N 3.13Å; L702-L705 PolarHBondContact O-N 3.32Å; K703-L705 VanDerWaalsContact C-N 3.27Å; K703-L705 PolarHBondContact O-N 3.44Å; L705-F707 PolarHBondContact O-N 3.29Å; L705-R708 PolarHBondContact O-N 3.19Å; L705-I709 HydrophobicContact CD1-CD1 4.38Å; L705-I709 HydrophobicContact CG-CD1 3.98Å; L705-I709 WeakPolarHBondContact O-CB 3.34Å; L705-I709 WeakPolarHBondContact O-CD1 3.46Å; L705-I709 VanDerWaalsContact O-CG1 3.23Å; L705-I709 WeakPolarHBondContact O-CG1 3.34Å; L705-I709 PolarHBondContact O-N 3Å; L705-L715 HydrophobicContact CD1-CD1 4.34Å; L705-L715 HydrophobicContact CD1-CD2 3.85Å; L705-N727 HydrophobicContact CD1-CB 4.04Å; L705-N727 HydrophobicContact CD2-CB 4.35Å; L705-F730 HydrophobicContact CD2-CD1 3.7Å; L705-F730 HydrophobicContact CD2-CE1 4.36Å; L705-L731 HydrophobicContact CB-CD2 4.13Å; L705-L731 HydrophobicContact CD2-CD2 3.84Å; L705-L731 HydrophobicContact CD2-CG 4.38Å; L705-L731 HydrophobicContact CG-CD2 4.02Å; L705-L734 HydrophobicContact CD2-CD1 3.76Å
706M83.2Confident82.8Confident45 Ų4539.3 Ų39.322%0.22221%0.205CC..Hα-helixtrans-60.1-44.8175.5-69.2178.57000112.5L702 K703 I709 A710 L731 F786L702-M706 HydrophobicContact CG-SD 4.25Å; L702-M706 WeakPolarHBondContact O-CG 3.27Å; L702-M706 PolarHBondContact O-N 3.14Å; K703-M706 PolarHBondContact O-N 3Å; M706-I709 PolarHBondContact O-N 3.02Å; M706-A710 VanDerWaalsContact O-CB 3.27Å; M706-A710 WeakPolarHBondContact O-CB 3.42Å; M706-A710 PolarHBondContact O-N 3.09Å; M706-L731 HydrophobicContact CG-CD1 4.32Å; M706-L731 HydrophobicContact CG-CD2 3.67Å; M706-F786 HydrophobicContact CE-CD2 4.48Å
707F80.3Confident82.5Confident115 Ų11539 Ų3950%0.50422%0.215SC..Hα-helixtrans-64.4-42.1179-92.8-77000112.3K703 F704 L705 A710 K711K703-F707 HydrophobicContact CD-CD2 4.12Å; K703-F707 HydrophobicContact CD-CE2 3.85Å; K703-F707 HydrophobicContact CG-CD2 3.44Å; K703-F707 VanDerWaalsContact CG-CD2 3.44Å; K703-F707 HydrophobicContact CG-CE2 3.55Å; K703-F707 WeakPolarHBondContact O-CD2 3.48Å; K703-F707 PolarHBondContact O-N 3.26Å; F704-F707 PolarHBondContact O-N 3.02Å; L705-F707 PolarHBondContact O-N 3.29Å; F707-A710 PolarHBondContact O-N 2.94Å; F707-K711 WeakPolarHBondContact O-CB 3.37Å; F707-K711 WeakPolarHBondContact O-CG 3.36Å; F707-K711 PolarHBondContact O-N 3.23Å
708R84.2Confident81.9Confident33 Ų3340.4 Ų40.413%0.12522%0.222CC..Hα-helixtrans-66.3-41.3179.7-162.8163.3176175.80.8111.2F704 L705 G712 E713 S714 L715 D718F704-R708 WeakPolarHBondContact O-CB 3.2Å; F704-R708 PolarHBondContact O-N 2.98Å; L705-R708 PolarHBondContact O-N 3.19Å; R708-G712 PolarHBondContact O-N 2.74Å; R708-E713 HydrophobicContact CG-CB 3.58Å; R708-E713 WeakPolarHBondContact CG-OE2 3.19Å; R708-E713 IonicContact NE-OE2 2.73Å; R708-E713 PolarHBondContact O-N 3.31Å; R708-E713 VanDerWaalsContact O-N 3.1Å; R708-S714 PolarHBondContact NE-O 3.27Å; R708-S714 PolarHBondContact NH2-O 3.39Å; R708-L715 HydrophobicContact CB-CD2 3.93Å; R708-L715 HydrophobicContact CG-CD2 3.62Å; R708-D718 IonicContact CZ-OD2 2.78Å; R708-D718 IonicContact NH1-OD2 2.87Å; R708-D718 PolarHBondContact NH1-OD2 3.24Å; R708-D718 IonicContact NH2-OD2 3.56Å; R708-D718 PolarHBondContact NH2-OD2 3.12Å
709I81.9Confident81.2Confident27 Ų2739.8 Ų39.814%0.13822%0.217CC..Hα-helixtrans-60-48.2171.4-70166000110.8L705 M706 K711 G712 L715 N727 L728 L731L705-I709 HydrophobicContact CD1-CD1 4.38Å; L705-I709 HydrophobicContact CG-CD1 3.98Å; L705-I709 WeakPolarHBondContact O-CB 3.34Å; L705-I709 WeakPolarHBondContact O-CD1 3.46Å; L705-I709 VanDerWaalsContact O-CG1 3.23Å; L705-I709 WeakPolarHBondContact O-CG1 3.34Å; L705-I709 PolarHBondContact O-N 3Å; M706-I709 PolarHBondContact O-N 3.02Å; I709-K711 PolarHBondContact O-N 3.25Å; I709-G712 PolarHBondContact O-N 3.15Å; I709-L715 HydrophobicContact CD1-CD1 4.45Å; I709-L715 HydrophobicContact CG1-CD1 3.78Å; I709-N727 HydrophobicContact CD1-CB 4.44Å; I709-L728 HydrophobicContact CD1-CD2 4.14Å; I709-L728 HydrophobicContact CD1-CG 4.24Å; I709-L728 HydrophobicContact CG2-CD2 3.98Å; I709-L728 HydrophobicContact CG2-CG 4.39Å; I709-L731 HydrophobicContact CD1-CD1 4.13Å; I709-L731 HydrophobicContact CD1-CG 4.46Å
710A79.6Confident80.5Confident87 Ų8740.3 Ų40.372%0.71923%0.226SC*.Hα-helixtrans-65.6-35.5-177.300000113.2M706 F707 G712M706-A710 VanDerWaalsContact O-CB 3.27Å; M706-A710 WeakPolarHBondContact O-CB 3.42Å; M706-A710 PolarHBondContact O-N 3.09Å; F707-A710 PolarHBondContact O-N 2.94Å; A710-G712 PolarHBondContact O-N 3.47Å
711K79.4Confident79.8Confident143 Ų14340.1 Ų40.162%0.62223%0.226SC*.THydrogen-bonded Turntrans-74.5-10.5173.6-72-177.1179.5-178.80113.4F707 I709 E713F707-K711 WeakPolarHBondContact O-CB 3.37Å; F707-K711 WeakPolarHBondContact O-CG 3.36Å; F707-K711 PolarHBondContact O-N 3.23Å; I709-K711 PolarHBondContact O-N 3.25Å; K711-E713 HydrophobicContact CB-CG 3.96Å; K711-E713 WeakPolarHBondContact CD-OE1 3.37Å; K711-E713 IonicContact NZ-OE1 2.82Å; K711-E713 PolarHBondContact O-N 2.91Å
712G75.8Confident78.9Confident27 Ų2739.9 Ų39.928%0.27822%0.224SC..THydrogen-bonded Turntrans68.920.7-175.300000113.7R708 I709 A710 R724R708-G712 PolarHBondContact O-N 2.74Å; I709-G712 PolarHBondContact O-N 3.15Å; A710-G712 PolarHBondContact O-N 3.47Å; G712-R724 PolarHBondContact O-NH2 3.29Å
713E83.1Confident78.4Confident84 Ų8439.7 Ų39.739%0.39322%0.223SC..  trans-69.1145.7175.9-71.4173.1-165.500110R708 K711 L715R708-E713 HydrophobicContact CG-CB 3.58Å; R708-E713 WeakPolarHBondContact CG-OE2 3.19Å; R708-E713 IonicContact NE-OE2 2.73Å; R708-E713 PolarHBondContact O-N 3.31Å; R708-E713 VanDerWaalsContact O-N 3.1Å; K711-E713 HydrophobicContact CB-CG 3.96Å; K711-E713 WeakPolarHBondContact CD-OE1 3.37Å; K711-E713 IonicContact NZ-OE1 2.82Å; K711-E713 PolarHBondContact O-N 2.91Å; E713-L715 PolarHBondContact O-N 3.35Å
714S81Confident78.3Confident30 Ų3042.8 Ų42.821%0.2123%0.234CC..  trans-63.2134.6175.9168.90000110.1E78 R708 S716 T717E78-S714 WeakPolarHBondContact OE1-CB 3.41Å; E78-S714 PolarHBondContact OE1-OG 3.41Å; R708-S714 PolarHBondContact NE-O 3.27Å; R708-S714 PolarHBondContact NH2-O 3.39Å; S714-S716 PolarHBondContact OG-N 3.42Å; S714-S716 PolarHBondContact OG-OG 3.08Å; S714-T717 WeakPolarHBondContact CB-OG1 3.43Å; S714-T717 PolarHBondContact O-OG1 2.93Å; S714-T717 PolarHBondContact OG-N 3.48Å; S714-T717 PolarHBondContact OG-OG1 2.86Å
715L81.6Confident78.1Confident0 Ų042.2 Ų42.20%024%0.239CC..SBendtrans-95.4-17.5176.9-64.6170.6000111.6F619 V621 L705 R708 I709 E713 T717 T719 R724 N727F619-L715 HydrophobicContact CZ-CD2 4.09Å; V621-L715 HydrophobicContact CG1-CB 4.39Å; V621-L715 HydrophobicContact CG1-CD2 4.15Å; L705-L715 HydrophobicContact CD1-CD1 4.34Å; L705-L715 HydrophobicContact CD1-CD2 3.85Å; R708-L715 HydrophobicContact CB-CD2 3.93Å; R708-L715 HydrophobicContact CG-CD2 3.62Å; I709-L715 HydrophobicContact CD1-CD1 4.45Å; I709-L715 HydrophobicContact CG1-CD1 3.78Å; E713-L715 PolarHBondContact O-N 3.35Å; L715-T717 VanDerWaalsContact C-N 3.35Å; L715-T719 PolarHBondContact O-OG1 2.89Å; L715-R724 HydrophobicContact CD1-CG 4.44Å; L715-N727 HydrophobicContact CD1-CB 3.46Å; L715-N727 VanDerWaalsContact CD1-CB 3.46Å
716S76.2Confident77.9Confident15 Ų1542.8 Ų42.811%0.10524%0.243CC..SBendtrans-80.2-13.4178.180.60000113.4E78 S714 D718 T719 G720E78-S716 PolarHBondContact OE1-OG 3.39Å; E78-S716 PolarHBondContact OE2-OG 2.96Å; S714-S716 PolarHBondContact OG-N 3.42Å; S714-S716 PolarHBondContact OG-OG 3.08Å; S716-D718 PolarHBondContact O-N 3.37Å; S716-D718 VanDerWaalsContact O-N 3.15Å; S716-T719 PolarHBondContact O-N 2.94Å; S716-T719 PolarHBondContact O-OG1 3.41Å; S716-G720 WeakPolarHBondContact O-CA 3.43Å; S716-G720 PolarHBondContact O-N 2.87Å
717T74.1Confident78.1Confident97 Ų9740.7 Ų40.760%0.59523%0.233SC*.THydrogen-bonded Turntrans-54.5-39.2-175-39.40000113.3S714 L715S714-T717 WeakPolarHBondContact CB-OG1 3.43Å; S714-T717 PolarHBondContact O-OG1 2.93Å; S714-T717 PolarHBondContact OG-N 3.48Å; S714-T717 PolarHBondContact OG-OG1 2.86Å; L715-T717 VanDerWaalsContact C-N 3.35Å
718D74.3Confident78.3Confident35 Ų3537.2 Ų37.219%0.18722%0.219CC..THydrogen-bonded Turntrans-86.3-34.2-177.1-65.4-64000112.4F599 K601 R656 R708 S716F599-D718 HydrophobicContact CD1-CB 4.34Å; F599-D718 HydrophobicContact CE1-CB 3.95Å; K601-D718 VanDerWaalsContact CE-OD2 3.29Å; K601-D718 WeakPolarHBondContact CE-OD2 3.4Å; K601-D718 IonicContact NZ-OD1 3.41Å; K601-D718 PolarHBondContact NZ-OD1 3.2Å; K601-D718 IonicContact NZ-OD2 3.95Å; K601-D718 PolarHBondContact NZ-OD2 3.07Å; R656-D718 PolarHBondContact NH1-O 2.91Å; R708-D718 IonicContact CZ-OD2 2.78Å; R708-D718 IonicContact NH1-OD2 2.87Å; R708-D718 PolarHBondContact NH1-OD2 3.24Å; R708-D718 IonicContact NH2-OD2 3.56Å; R708-D718 PolarHBondContact NH2-OD2 3.12Å; S716-D718 PolarHBondContact O-N 3.37Å; S716-D718 VanDerWaalsContact O-N 3.15Å
719T74.8Confident78.4Confident3 Ų337.8 Ų37.82%0.01823%0.228CC..THydrogen-bonded Turntrans-98.3-23.7-169.743.40000114.9F599 V621 T655 R656 L715 S716 G721F599-T719 HydrophobicContact CB-CG2 3.37Å; F599-T719 HydrophobicContact CD1-CG2 3.62Å; F599-T719 HydrophobicContact CG-CG2 3.62Å; V621-T719 HydrophobicContact CB-CG2 4.48Å; V621-T719 HydrophobicContact CG2-CG2 3.28Å; T655-T719 HydrophobicContact CG2-CG2 4.42Å; R656-T719 PolarHBondContact N-O 3.47Å; L715-T719 PolarHBondContact O-OG1 2.89Å; S716-T719 PolarHBondContact O-N 2.94Å; S716-T719 PolarHBondContact O-OG1 3.41Å; T719-G721 VanDerWaalsContact C-N 3.29Å; T719-G721 WeakPolarHBondContact CB-O 3.05Å; T719-G721 PolarHBondContact OG1-N 3.39Å; T719-G721 PolarHBondContact OG1-O 2.93Å
720G67.5Low78.7Confident27 Ų2736.5 Ų36.528%0.27822%0.222SC..SBendtrans81.20.9-167.400000114.7K73 S716K73-G720 PolarHBondContact NZ-O 3.34Å; S716-G720 WeakPolarHBondContact O-CA 3.43Å; S716-G720 PolarHBondContact O-N 2.87Å
721G69Low79.1Confident1 Ų132.5 Ų32.51%0.0119%0.188CC..  trans-175.5164-177.800000113.2T655 T719T655-G721 VanDerWaalsContact CG2-O 3.3Å; T655-G721 WeakPolarHBondContact CG2-O 3.18Å; T719-G721 VanDerWaalsContact C-N 3.29Å; T719-G721 WeakPolarHBondContact CB-O 3.05Å; T719-G721 PolarHBondContact OG1-N 3.39Å; T719-G721 PolarHBondContact OG1-O 2.93Å
722G69Low79.4Confident0 Ų028.5 Ų28.50%018%0.177CC..  trans100.992.6177.600000108N727G722-N727 PolarHBondContact O-ND2 2.96Å; G722-N727 VanDerWaalsContact O-ND2 3.08Å
723G75.9Confident80Confident0 Ų029.1 Ų29.10%017%0.173CC..  trans-83.9-164.8-175.300000111.9D79 N727D79-G723 VanDerWaalsContact CG-CA 3.47Å; D79-G723 VanDerWaalsContact OD1-C 3.24Å; D79-G723 WeakPolarHBondContact OD1-CA 3.34Å; D79-G723 PolarHBondContact OD1-N 3.28Å; G723-N727 PolarHBondContact O-N 3.37Å; G723-N727 VanDerWaalsContact O-N 3.17Å; G723-N727 PolarHBondContact O-ND2 3.43Å
724R80.4Confident80.2Confident93 Ų9325.5 Ų25.535%0.35116%0.156SC..Hα-helixtrans-67.4-38.8-176.8-64.6-176.3-173163.96.1111.6D79 G712 L715 N727 L728D79-R724 PolarHBondContact OD2-N 3.43Å; G712-R724 PolarHBondContact O-NH2 3.29Å; L715-R724 HydrophobicContact CD1-CG 4.44Å; R724-N727 PolarHBondContact O-N 3.49Å; R724-L728 WeakPolarHBondContact O-CB 3.38Å; R724-L728 WeakPolarHBondContact O-CD1 3.39Å; R724-L728 WeakPolarHBondContact O-CG 3.14Å; R724-L728 PolarHBondContact O-N 3.26Å
725G81Confident80.4Confident25 Ų2524.3 Ų24.326%0.25815%0.148SC..Hα-helixtrans-62-48.9179.800000111.5D79 N727 L728 S729D79-G725 WeakPolarHBondContact OD2-CA 3.39Å; D79-G725 PolarHBondContact OD2-N 2.98Å; G725-N727 PolarHBondContact O-N 3.15Å; G725-L728 PolarHBondContact O-N 3.39Å; G725-S729 PolarHBondContact O-N 3.26Å; G725-S729 VanDerWaalsContact O-N 3.09Å
726A83.7Confident80.7Confident12 Ų1226.3 Ų26.310%0.09916%0.16CC..Hα-helixtrans-61.1-45.1177.800000111.9D79 L624 S729 F730D79-A726 WeakPolarHBondContact OD1-CB 3.16Å; D79-A726 PolarHBondContact OD1-N 2.73Å; D79-A726 VanDerWaalsContact OD1-N 3.15Å; L624-A726 HydrophobicContact CD1-CB 4.43Å; L624-A726 WeakPolarHBondContact CD1-O 3.4Å; L624-A726 HydrophobicContact CG-CB 4.45Å; L624-A726 WeakPolarHBondContact CG-O 3.06Å; A726-S729 PolarHBondContact O-N 3.03Å; A726-F730 WeakPolarHBondContact O-CB 3.22Å; A726-F730 PolarHBondContact O-N 3.28Å
727N86.9Confident81.3Confident0 Ų025.9 Ų25.90%016%0.157CC..Hα-helixtrans-75.2-27.5-178.3-75.1-77.5000113.6V621 S622 L705 I709 L715 G722 G723 R724 G725 F730 L731V621-N727 WeakPolarHBondContact CA-OD1 3.17Å; S622-N727 PolarHBondContact N-OD1 3.41Å; S622-N727 PolarHBondContact O-ND2 2.89Å; S622-N727 PolarHBondContact O-OD1 3.36Å; L705-N727 HydrophobicContact CD1-CB 4.04Å; L705-N727 HydrophobicContact CD2-CB 4.35Å; I709-N727 HydrophobicContact CD1-CB 4.44Å; L715-N727 HydrophobicContact CD1-CB 3.46Å; L715-N727 VanDerWaalsContact CD1-CB 3.46Å; G722-N727 PolarHBondContact O-ND2 2.96Å; G722-N727 VanDerWaalsContact O-ND2 3.08Å; G723-N727 PolarHBondContact O-N 3.37Å; G723-N727 VanDerWaalsContact O-N 3.17Å; G723-N727 PolarHBondContact O-ND2 3.43Å; R724-N727 PolarHBondContact O-N 3.49Å; G725-N727 PolarHBondContact O-N 3.15Å; N727-F730 WeakPolarHBondContact O-CB 3.29Å; N727-F730 PolarHBondContact O-N 3.09Å; N727-L731 PolarHBondContact O-N 3.33Å
728L85Confident81.8Confident42 Ų4221.3 Ų21.322%0.2213%0.129CC..Hα-helixtrans-62.9-47.5169.8-82.2166.1000110.5I709 R724 G725 F730 L731I709-L728 HydrophobicContact CD1-CD2 4.14Å; I709-L728 HydrophobicContact CD1-CG 4.24Å; I709-L728 HydrophobicContact CG2-CD2 3.98Å; I709-L728 HydrophobicContact CG2-CG 4.39Å; R724-L728 WeakPolarHBondContact O-CB 3.38Å; R724-L728 WeakPolarHBondContact O-CD1 3.39Å; R724-L728 WeakPolarHBondContact O-CG 3.14Å; R724-L728 PolarHBondContact O-N 3.26Å; G725-L728 PolarHBondContact O-N 3.39Å; L728-F730 PolarHBondContact O-N 2.94Å; L728-L731 HydrophobicContact CD2-CD1 4.09Å; L728-L731 WeakPolarHBondContact O-CB 3.49Å; L728-L731 PolarHBondContact O-N 2.64Å
729S85.7Confident82.3Confident45 Ų4522.8 Ų22.832%0.31514%0.136SC..Hα-helixtrans-70.4-12.4175-70.70000113.1G725 A726 H733G725-S729 PolarHBondContact O-N 3.26Å; G725-S729 VanDerWaalsContact O-N 3.09Å; A726-S729 PolarHBondContact O-N 3.03Å; S729-H733 PolarHBondContact O-CE1 3.4Å; S729-H733 VanDerWaalsContact O-CE1 3.25Å; S729-H733 PolarHBondContact O-ND1 3.5Å
730F89.2Confident82.9Confident0 Ų025.4 Ų25.40%015%0.146CC..Hα-helixtrans-82-28.6171.9-177.3-128.2000113.3L596 T598 T620 L624 L661 L705 A726 N727 L728 P732 H733 L734L596-F730 HydrophobicContact CD1-CD2 3.74Å; L596-F730 HydrophobicContact CD1-CE2 3.89Å; T598-F730 HydrophobicContact CG2-CE1 4.47Å; T598-F730 HydrophobicContact CG2-CE2 3.93Å; T598-F730 HydrophobicContact CG2-CZ 3.61Å; T620-F730 HydrophobicContact CG2-CE1 4.03Å; T620-F730 HydrophobicContact CG2-CZ 4.08Å; L624-F730 HydrophobicContact CD2-CB 4.2Å; L624-F730 HydrophobicContact CD2-CD2 4.37Å; L624-F730 HydrophobicContact CG-CB 4.49Å; L661-F730 HydrophobicContact CD2-CE2 3.5Å; L661-F730 VanDerWaalsContact CD2-CE2 3.5Å; L661-F730 HydrophobicContact CD2-CZ 3.78Å; L705-F730 HydrophobicContact CD2-CD1 3.7Å; L705-F730 HydrophobicContact CD2-CE1 4.36Å; A726-F730 WeakPolarHBondContact O-CB 3.22Å; A726-F730 PolarHBondContact O-N 3.28Å; N727-F730 WeakPolarHBondContact O-CB 3.29Å; N727-F730 PolarHBondContact O-N 3.09Å; L728-F730 PolarHBondContact O-N 2.94Å; F730-P732 VanDerWaalsContact C-CD 3.46Å; F730-H733 HydrophobicContact CD2-CB 4.08Å; F730-H733 HydrophobicContact CE2-CB 4.26Å; F730-H733 VanDerWaalsContact O-CB 3.31Å; F730-H733 WeakPolarHBondContact O-CB 3.39Å; F730-H733 PolarHBondContact O-N 3.31Å; F730-L734 HydrophobicContact CD1-CD1 4.01Å; F730-L734 HydrophobicContact CD1-CG 4.13Å; F730-L734 HydrophobicContact CE1-CD1 3.68Å; F730-L734 HydrophobicContact CE1-CD2 3.8Å; F730-L734 HydrophobicContact CE1-CG 3.65Å; F730-L734 HydrophobicContact CE2-CG 4.47Å; F730-L734 HydrophobicContact CZ-CD1 4.37Å; F730-L734 HydrophobicContact CZ-CD2 3.67Å; F730-L734 HydrophobicContact CZ-CG 3.84Å; F730-L734 PolarHBondContact O-N 3.13Å
731L87.6Confident83.8Confident3 Ų325.5 Ų25.52%0.01614%0.139CC..Hα-helixtrans-50.4-44.8-178.2-70.6168.9000114.3L702 L705 M706 I709 N727 L728 H733 L734 A735 F786L702-L731 HydrophobicContact CD1-CB 4.35Å; L702-L731 HydrophobicContact CD1-CD2 3.62Å; L705-L731 HydrophobicContact CB-CD2 4.13Å; L705-L731 HydrophobicContact CD2-CD2 3.84Å; L705-L731 HydrophobicContact CD2-CG 4.38Å; L705-L731 HydrophobicContact CG-CD2 4.02Å; M706-L731 HydrophobicContact CG-CD1 4.32Å; M706-L731 HydrophobicContact CG-CD2 3.67Å; I709-L731 HydrophobicContact CD1-CD1 4.13Å; I709-L731 HydrophobicContact CD1-CG 4.46Å; N727-L731 PolarHBondContact O-N 3.33Å; L728-L731 HydrophobicContact CD2-CD1 4.09Å; L728-L731 WeakPolarHBondContact O-CB 3.49Å; L728-L731 PolarHBondContact O-N 2.64Å; L731-H733 PolarHBondContact O-N 3.37Å; L731-L734 PolarHBondContact O-N 3.46Å; L731-A735 PolarHBondContact O-N 3.44Å; L731-F786 HydrophobicContact CB-CE2 3.9Å; L731-F786 HydrophobicContact CB-CZ 3.63Å; L731-F786 HydrophobicContact CD1-CE2 3.94Å; L731-F786 HydrophobicContact CD1-CZ 4.4Å; L731-F786 HydrophobicContact CG-CE2 4.49Å
732P85.2Confident84.3Confident60 Ų6026.5 Ų26.539%0.3914%0.143SC..Hα-helixtrans-59.4-33.2177.5-24.235.3000113.1F730 A735 V736 F786F730-P732 VanDerWaalsContact C-CD 3.46Å; P732-A735 WeakPolarHBondContact O-CB 3.34Å; P732-A735 PolarHBondContact O-N 2.86Å; P732-V736 WeakPolarHBondContact O-CG2 3.36Å; P732-V736 PolarHBondContact O-N 3.33Å; P732-F786 HydrophobicContact CG-CE1 4.21Å; P732-F786 HydrophobicContact CG-CZ 4.25Å
733H88.3Confident85Confident40 Ų4031.4 Ų31.419%0.18517%0.173CC..Hα-helixtrans-71.2-37.9-179.7-5694.9000111.7L596 L661 L663 S729 F730 L731 A735 V736 V737L596-H733 HydrophobicContact CD1-CB 4.27Å; L661-H733 HydrophobicContact CD2-CB 4.27Å; L663-H733 WeakPolarHBondContact CD2-CD2 3.31Å; L663-H733 WeakPolarHBondContact CD2-NE2 3.48Å; S729-H733 PolarHBondContact O-CE1 3.4Å; S729-H733 VanDerWaalsContact O-CE1 3.25Å; S729-H733 PolarHBondContact O-ND1 3.5Å; F730-H733 HydrophobicContact CD2-CB 4.08Å; F730-H733 HydrophobicContact CE2-CB 4.26Å; F730-H733 VanDerWaalsContact O-CB 3.31Å; F730-H733 WeakPolarHBondContact O-CB 3.39Å; F730-H733 PolarHBondContact O-N 3.31Å; L731-H733 PolarHBondContact O-N 3.37Å; H733-A735 VanDerWaalsContact C-N 3.34Å; H733-V736 PolarHBondContact O-N 3.41Å; H733-V737 WeakPolarHBondContact O-CG2 3.49Å; H733-V737 PolarHBondContact O-N 3.32Å
734L89.1Confident85.4Confident7 Ų734.6 Ų34.64%0.03720%0.196CC..Hα-helixtrans-66.1-37.2170.1-69.5178.9000111.8L661 L702 L705 F730 L731 V736 V737 C738L661-L734 HydrophobicContact CD2-CD2 4.32Å; L702-L734 HydrophobicContact CB-CB 4.42Å; L702-L734 HydrophobicContact CD1-CB 3.9Å; L702-L734 HydrophobicContact CD1-CD1 4.48Å; L705-L734 HydrophobicContact CD2-CD1 3.76Å; F730-L734 HydrophobicContact CD1-CD1 4.01Å; F730-L734 HydrophobicContact CD1-CG 4.13Å; F730-L734 HydrophobicContact CE1-CD1 3.68Å; F730-L734 HydrophobicContact CE1-CD2 3.8Å; F730-L734 HydrophobicContact CE1-CG 3.65Å; F730-L734 HydrophobicContact CE2-CG 4.47Å; F730-L734 HydrophobicContact CZ-CD1 4.37Å; F730-L734 HydrophobicContact CZ-CD2 3.67Å; F730-L734 HydrophobicContact CZ-CG 3.84Å; F730-L734 PolarHBondContact O-N 3.13Å; L731-L734 PolarHBondContact O-N 3.46Å; L734-V736 VanDerWaalsContact C-N 3.35Å; L734-V736 PolarHBondContact O-N 3.08Å; L734-V737 WeakPolarHBondContact O-CB 3.48Å; L734-V737 PolarHBondContact O-N 3.24Å; L734-C738 PolarHBondContact O-N 3.11Å; L734-C738 PolarHBondContact O-SG 3.43Å; L734-C738 VanDerWaalsContact O-SG 3.39Å
735A85.1Confident85.5Confident5 Ų534.1 Ų34.14%0.04120%0.203CC..Hα-helixtrans-64.2-38.7175.400000112.1L731 P732 H733 V737 C738 L739 F783 F786L731-A735 PolarHBondContact O-N 3.44Å; P732-A735 WeakPolarHBondContact O-CB 3.34Å; P732-A735 PolarHBondContact O-N 2.86Å; H733-A735 VanDerWaalsContact C-N 3.34Å; A735-V737 VanDerWaalsContact C-N 3.3Å; A735-V737 PolarHBondContact O-N 3.01Å; A735-C738 WeakPolarHBondContact O-CB 3.5Å; A735-C738 PolarHBondContact O-N 2.67Å; A735-C738 VanDerWaalsContact O-N 3.1Å; A735-L739 PolarHBondContact O-N 2.98Å; A735-F783 HydrophobicContact CB-CE2 4.03Å; A735-F786 HydrophobicContact CB-CD1 4.46Å
736V86.6Confident85.5Confident43 Ų4339.8 Ų39.826%0.26123%0.228SC..Hα-helixtrans-60.6-37.9174.1169.60000111.8L664 P732 H733 L734 C738 L739 Y740L664-V736 HydrophobicContact CB-CG1 4.02Å; L664-V736 HydrophobicContact CD2-CG1 4.12Å; P732-V736 WeakPolarHBondContact O-CG2 3.36Å; P732-V736 PolarHBondContact O-N 3.33Å; H733-V736 PolarHBondContact O-N 3.41Å; L734-V736 VanDerWaalsContact C-N 3.35Å; L734-V736 PolarHBondContact O-N 3.08Å; V736-C738 VanDerWaalsContact C-N 3.31Å; V736-C738 PolarHBondContact O-N 3.43Å; V736-L739 PolarHBondContact O-N 3.4Å; V736-Y740 WeakPolarHBondContact O-CB 3.23Å; V736-Y740 PolarHBondContact O-N 3.23Å
737V89.5Confident85Confident6 Ų639.8 Ų39.84%0.03623%0.228CC..Hα-helixtrans-61.6-42.1174.31800000110.8L661 Y673 L677 S698 H733 L734 A735 Y740 Y741L661-V737 HydrophobicContact CD1-CG2 3.95Å; L661-V737 HydrophobicContact CD2-CG2 4.32Å; L661-V737 HydrophobicContact CG-CG2 4.48Å; Y673-V737 WeakPolarHBondContact OH-CG2 3.44Å; L677-V737 HydrophobicContact CD1-CG1 4.19Å; L677-V737 HydrophobicContact CD1-CG2 4.31Å; L677-V737 HydrophobicContact CD2-CG1 4.11Å; S698-V737 WeakPolarHBondContact OG-CG1 3.2Å; H733-V737 WeakPolarHBondContact O-CG2 3.49Å; H733-V737 PolarHBondContact O-N 3.32Å; L734-V737 WeakPolarHBondContact O-CB 3.48Å; L734-V737 PolarHBondContact O-N 3.24Å; A735-V737 VanDerWaalsContact C-N 3.3Å; A735-V737 PolarHBondContact O-N 3.01Å; V737-Y740 PolarHBondContact O-N 3.23Å; V737-Y741 HydrophobicContact CG1-CD2 4.03Å; V737-Y741 HydrophobicContact CG1-CE2 3.78Å; V737-Y741 VanDerWaalsContact O-CD2 3.25Å; V737-Y741 WeakPolarHBondContact O-CD2 3.33Å; V737-Y741 PolarHBondContact O-N 3.3Å; V737-Y741 VanDerWaalsContact O-N 3.12Å
738C85.2Confident84.3Confident0 Ų047.8 Ų47.80%026%0.259CS..Hα-helixtrans-62.9-45.4175.6-59.20000111.4L695 V699 L734 A735 V736 Y740 Y741 I742 F783L695-C738 HydrophobicContact CD1-CB 4.07Å; V699-C738 HydrophobicContact CG2-CB 4.49Å; L734-C738 PolarHBondContact O-N 3.11Å; L734-C738 PolarHBondContact O-SG 3.43Å; L734-C738 VanDerWaalsContact O-SG 3.39Å; A735-C738 WeakPolarHBondContact O-CB 3.5Å; A735-C738 PolarHBondContact O-N 2.67Å; A735-C738 VanDerWaalsContact O-N 3.1Å; V736-C738 VanDerWaalsContact C-N 3.31Å; V736-C738 PolarHBondContact O-N 3.43Å; C738-Y740 VanDerWaalsContact C-N 3.34Å; C738-Y740 PolarHBondContact O-N 3.04Å; C738-Y741 PolarHBondContact O-N 3.34Å; C738-I742 WeakPolarHBondContact O-CG1 3.31Å; C738-I742 PolarHBondContact O-N 2.83Å; C738-F783 HydrophobicContact CB-CD2 4.21Å; C738-F783 HydrophobicContact CB-CE2 3.59Å; C738-F783 HydrophobicContact CB-CZ 3.96Å
739L83.4Confident83.8Confident67 Ų6752.5 Ų52.535%0.35128%0.28SS..Hα-helixtrans-60-42.5176.1-71.7173.9000112.2A735 V736 Y741 I742 T743 F783 L787A735-L739 PolarHBondContact O-N 2.98Å; V736-L739 PolarHBondContact O-N 3.4Å; L739-Y741 VanDerWaalsContact C-N 3.32Å; L739-Y741 PolarHBondContact O-N 3.01Å; L739-I742 PolarHBondContact O-N 3.23Å; L739-T743 WeakPolarHBondContact O-CB 3.25Å; L739-T743 PolarHBondContact O-N 3.23Å; L739-T743 PolarHBondContact O-OG1 3.44Å; L739-F783 HydrophobicContact CD2-CE1 4.11Å; L739-F783 HydrophobicContact CD2-CZ 3.62Å; L739-F783 HydrophobicContact CG-CZ 3.8Å; L739-L787 HydrophobicContact CD2-CD1 4.21Å
740Y87Confident83.3Confident58 Ų5856.3 Ų56.323%0.22729%0.293CS..Hα-helixtrans-59.2-44.6176.5172.8-96.6000110.9Y673 G674 L677 V736 V737 C738 T743 S744Y673-Y740 HydrophobicContact CD1-CD1 4.39Å; Y673-Y740 AromaticContact CD1-CD2 3.54Å; Y673-Y740 HydrophobicContact CD1-CD2 3.54Å; Y673-Y740 AromaticContact CD1-CE2 3.83Å; Y673-Y740 HydrophobicContact CD1-CE2 3.83Å; Y673-Y740 AromaticContact CD1-CG 3.84Å; Y673-Y740 HydrophobicContact CD1-CG 3.84Å; Y673-Y740 HydrophobicContact CE1-CD1 4.16Å; Y673-Y740 AromaticContact CE1-CD2 3.86Å; Y673-Y740 HydrophobicContact CE1-CD2 3.86Å; Y673-Y740 HydrophobicContact CE1-CE2 4.49Å; Y673-Y740 AromaticContact CE1-CG 3.66Å; Y673-Y740 HydrophobicContact CE1-CG 3.66Å; G674-Y740 VanDerWaalsContact CA-OH 3.26Å; G674-Y740 WeakPolarHBondContact CA-OH 3.46Å; L677-Y740 HydrophobicContact CD2-CD1 3.82Å; L677-Y740 HydrophobicContact CD2-CE1 4.02Å; V736-Y740 WeakPolarHBondContact O-CB 3.23Å; V736-Y740 PolarHBondContact O-N 3.23Å; V737-Y740 PolarHBondContact O-N 3.23Å; C738-Y740 VanDerWaalsContact C-N 3.34Å; C738-Y740 PolarHBondContact O-N 3.04Å; Y740-T743 PolarHBondContact O-N 2.9Å; Y740-S744 VanDerWaalsContact O-CB 3.23Å; Y740-S744 WeakPolarHBondContact O-CB 3.37Å; Y740-S744 PolarHBondContact O-N 3.38Å; Y740-S744 PolarHBondContact O-OG 2.94Å
741Y86.4Confident82.5Confident29 Ų2957.8 Ų57.811%0.11430%0.299CS..Hα-helixtrans-65.4-44.8176.2-80-60.6000113.1L677 Q681 L695 S698 V737 C738 L739 T743 S744 T745L677-Y741 HydrophobicContact CD2-CE2 4.43Å; Q681-Y741 PolarHBondContact NE2-OH 3.14Å; L695-Y741 HydrophobicContact CB-CG 4.37Å; S698-Y741 WeakPolarHBondContact OG-CE2 3.48Å; V737-Y741 HydrophobicContact CG1-CD2 4.03Å; V737-Y741 HydrophobicContact CG1-CE2 3.78Å; V737-Y741 VanDerWaalsContact O-CD2 3.25Å; V737-Y741 WeakPolarHBondContact O-CD2 3.33Å; V737-Y741 PolarHBondContact O-N 3.3Å; V737-Y741 VanDerWaalsContact O-N 3.12Å; C738-Y741 PolarHBondContact O-N 3.34Å; L739-Y741 VanDerWaalsContact C-N 3.32Å; L739-Y741 PolarHBondContact O-N 3.01Å; Y741-T743 VanDerWaalsContact C-N 3.27Å; Y741-T743 PolarHBondContact O-N 2.92Å; Y741-S744 WeakPolarHBondContact CA-OG 3.5Å; Y741-S744 PolarHBondContact O-N 3.5Å; Y741-S744 PolarHBondContact O-OG 3.47Å; Y741-T745 WeakPolarHBondContact O-CB 3.42Å; Y741-T745 WeakPolarHBondContact O-CG2 3.46Å; Y741-T745 PolarHBondContact O-N 3.14Å; Y741-T745 PolarHBondContact O-OG1 2.6Å
742I80.7Confident81.8Confident22 Ų2259 Ų5911%0.11331%0.31CS..Hα-helixtrans-58.6-43.3178-68.3165.5000110.5L695 C738 L739 N746 A747 Y748 F783L695-I742 HydrophobicContact CD1-CD1 4.26Å; L695-I742 HydrophobicContact CD1-CG1 3.83Å; L695-I742 HydrophobicContact CD2-CG1 3.74Å; L695-I742 HydrophobicContact CG-CG1 4.47Å; C738-I742 WeakPolarHBondContact O-CG1 3.31Å; C738-I742 PolarHBondContact O-N 2.83Å; L739-I742 PolarHBondContact O-N 3.23Å; I742-N746 WeakPolarHBondContact O-CA 3.35Å; I742-N746 PolarHBondContact O-N 3.5Å; I742-N746 VanDerWaalsContact O-N 3.12Å; I742-A747 PolarHBondContact O-N 3.08Å; I742-A747 VanDerWaalsContact O-N 3.11Å; I742-Y748 HydrophobicContact CG2-CD2 4.36Å; I742-F783 HydrophobicContact CD1-CE1 3.76Å; I742-F783 HydrophobicContact CD1-CZ 4.19Å
743T82.4Confident81.3Confident102 Ų10258.8 Ų58.863%0.62631%0.309SS*.Hα-helixtrans-72.2-47.4-178-51.70000111.5L739 Y740 Y741 T745 N746L739-T743 WeakPolarHBondContact O-CB 3.25Å; L739-T743 PolarHBondContact O-N 3.23Å; L739-T743 PolarHBondContact O-OG1 3.44Å; Y740-T743 PolarHBondContact O-N 2.9Å; Y741-T743 VanDerWaalsContact C-N 3.27Å; Y741-T743 PolarHBondContact O-N 2.92Å; T743-T745 VanDerWaalsContact C-N 3.33Å; T743-T745 PolarHBondContact O-N 3.13Å; T743-N746 PolarHBondContact O-N 3.41Å
744S84.6Confident80.5Confident67 Ų6759.9 Ų59.947%0.46932%0.316SS..Hα-helixtrans-69.1-28.2-17857.60000113.7Y740 Y741Y740-S744 VanDerWaalsContact O-CB 3.23Å; Y740-S744 WeakPolarHBondContact O-CB 3.37Å; Y740-S744 PolarHBondContact O-N 3.38Å; Y740-S744 PolarHBondContact O-OG 2.94Å; Y741-S744 WeakPolarHBondContact CA-OG 3.5Å; Y741-S744 PolarHBondContact O-N 3.5Å; Y741-S744 PolarHBondContact O-OG 3.47Å
745T82.4Confident79.6Confident84 Ų8460.2 Ų60.252%0.51532%0.318SS..THydrogen-bonded Turntrans-92.8-4.5175.360.70000113.5Y741 T743 A747Y741-T745 WeakPolarHBondContact O-CB 3.42Å; Y741-T745 WeakPolarHBondContact O-CG2 3.46Å; Y741-T745 PolarHBondContact O-N 3.14Å; Y741-T745 PolarHBondContact O-OG1 2.6Å; T743-T745 VanDerWaalsContact C-N 3.33Å; T743-T745 PolarHBondContact O-N 3.13Å; T745-A747 PolarHBondContact O-N 3.44Å; T745-A747 WeakPolarHBondContact OG1-CB 3.21Å
746N80.9Confident79Confident143 Ų14366.5 Ų66.577%0.76535%0.346SS*.THydrogen-bonded Turntrans53.929.9-175.2-150.619.5000113.4I742 T743 Y748I742-N746 WeakPolarHBondContact O-CA 3.35Å; I742-N746 PolarHBondContact O-N 3.5Å; I742-N746 VanDerWaalsContact O-N 3.12Å; T743-N746 PolarHBondContact O-N 3.41Å; N746-Y748 VanDerWaalsContact C-N 3.26Å; N746-Y748 PolarHBondContact O-N 3.35Å
747A73.9Confident78.5Confident12 Ų1267.3 Ų67.310%0.09936%0.358CS..  trans-85.38-174.300000113.5I742 T745 H749 E750 H751I742-A747 PolarHBondContact O-N 3.08Å; I742-A747 VanDerWaalsContact O-N 3.11Å; T745-A747 PolarHBondContact O-N 3.44Å; T745-A747 WeakPolarHBondContact OG1-CB 3.21Å; A747-H749 PolarHBondContact O-N 3.42Å; A747-E750 PolarHBondContact O-N 3.1Å; A747-H751 PolarHBondContact O-CD2 3.09Å; A747-H751 PolarHBondContact O-N 3.22Å
748Y72.6Confident77.6Confident169 Ų16967.5 Ų67.566%0.66336%0.358SS*.Hα-helixtrans-55.2-49.7-175.7177.2-96.3000112.7I742 N746 H751 A752I742-Y748 HydrophobicContact CG2-CD2 4.36Å; N746-Y748 VanDerWaalsContact C-N 3.26Å; N746-Y748 PolarHBondContact O-N 3.35Å; Y748-H751 PolarHBondContact O-N 3.33Å; Y748-A752 WeakPolarHBondContact O-CB 3.49Å; Y748-A752 PolarHBondContact O-N 3.34Å
749H75.1Confident77Confident141 Ų14171.8 Ų71.865%0.65338%0.381SS*.Hα-helixtrans-66-41.9-176.5-173.252.6000112A747 H751 A752 C753A747-H749 PolarHBondContact O-N 3.42Å; H749-H751 PolarHBondContact O-N 3.4Å; H749-A752 PolarHBondContact O-N 2.96Å; H749-C753 PolarHBondContact O-N 3.31Å; H749-C753 PolarHBondContact O-SG 3.45Å; H749-C753 VanDerWaalsContact O-SG 3.38Å
750E74.4Confident76.7Confident125 Ų12572.7 Ų72.758%0.58440%0.398SS*.Hα-helixtrans-59.5-47.4176.8-176-178.6166.200111.3A747 C753 L754A747-E750 PolarHBondContact O-N 3.1Å; E750-C753 PolarHBondContact O-N 3.13Å; E750-L754 HydrophobicContact CG-CD1 4.35Å; E750-L754 WeakPolarHBondContact O-CG 3.47Å; E750-L754 PolarHBondContact O-N 2.75Å
751H72.5Confident76.1Confident30 Ų3072.6 Ų72.614%0.13940%0.399CS..Hα-helixtrans-69.7-35.4179.4-70.5-54.4000113.4L695 A747 Y748 H749 L754 L755 I780L695-H751 WeakPolarHBondContact CD2-NE2 3.21Å; A747-H751 PolarHBondContact O-CD2 3.09Å; A747-H751 PolarHBondContact O-N 3.22Å; Y748-H751 PolarHBondContact O-N 3.33Å; H749-H751 PolarHBondContact O-N 3.4Å; H751-L754 PolarHBondContact O-N 2.96Å; H751-L755 WeakPolarHBondContact O-CB 3.39Å; H751-L755 PolarHBondContact O-N 3.25Å; H751-I780 HydrophobicContact CB-CD1 4Å
752A71.6Confident75.7Confident29 Ų2977.8 Ų77.824%0.2443%0.425CS..Hα-helixtrans-61.6-45.9173.300000111.1Y748 H749 L754 L755 E756Y748-A752 WeakPolarHBondContact O-CB 3.49Å; Y748-A752 PolarHBondContact O-N 3.34Å; H749-A752 PolarHBondContact O-N 2.96Å; A752-L754 PolarHBondContact O-N 3.09Å; A752-L755 WeakPolarHBondContact O-CB 3.48Å; A752-L755 PolarHBondContact O-N 3.49Å; A752-E756 WeakPolarHBondContact O-CG 3.4Å; A752-E756 PolarHBondContact O-N 3.06Å
753C75.1Confident75.2Confident56 Ų5681.9 Ų81.938%0.37845%0.451SS..Hα-helixtrans-63.5-40.1176.2-69.40000112.6H749 E750 L755 E756 A757H749-C753 PolarHBondContact O-N 3.31Å; H749-C753 PolarHBondContact O-SG 3.45Å; H749-C753 VanDerWaalsContact O-SG 3.38Å; E750-C753 PolarHBondContact O-N 3.13Å; C753-L755 VanDerWaalsContact C-N 3.32Å; C753-L755 PolarHBondContact O-N 3.43Å; C753-E756 PolarHBondContact O-N 2.95Å; C753-A757 VanDerWaalsContact O-CB 3.3Å; C753-A757 WeakPolarHBondContact O-CB 3.29Å; C753-A757 PolarHBondContact O-N 2.65Å
754L72.6Confident74.7Confident62 Ų6280.8 Ų80.833%0.32545%0.446SS..Hα-helixtrans-63.4-37.8175.3-73.3170.4000112.3E750 H751 A752 F758 I780E750-L754 HydrophobicContact CG-CD1 4.35Å; E750-L754 WeakPolarHBondContact O-CG 3.47Å; E750-L754 PolarHBondContact O-N 2.75Å; H751-L754 PolarHBondContact O-N 2.96Å; A752-L754 PolarHBondContact O-N 3.09Å; L754-F758 WeakPolarHBondContact O-CB 3.25Å; L754-F758 PolarHBondContact O-N 3.19Å; L754-F758 VanDerWaalsContact O-N 3.08Å; L754-I780 HydrophobicContact CB-CD1 4.3Å
755L69.8Low74.1Confident15 Ų1581.6 Ų81.68%0.07944%0.442CS..Hα-helixtrans-67-48.3175.7179.262.4000111.4H751 A752 C753 A757 F758 L759 I780 V781 Y784H751-L755 WeakPolarHBondContact O-CB 3.39Å; H751-L755 PolarHBondContact O-N 3.25Å; A752-L755 WeakPolarHBondContact O-CB 3.48Å; A752-L755 PolarHBondContact O-N 3.49Å; C753-L755 VanDerWaalsContact C-N 3.32Å; C753-L755 PolarHBondContact O-N 3.43Å; L755-A757 VanDerWaalsContact C-N 3.32Å; L755-A757 PolarHBondContact O-N 2.89Å; L755-F758 PolarHBondContact O-N 3.3Å; L755-L759 HydrophobicContact CD1-CD1 4.11Å; L755-L759 HydrophobicContact CD1-CG 4.13Å; L755-L759 HydrophobicContact CG-CD1 3.97Å; L755-L759 HydrophobicContact CG-CG 4.39Å; L755-L759 WeakPolarHBondContact O-CG 3.26Å; L755-L759 PolarHBondContact O-N 2.61Å; L755-I780 HydrophobicContact CB-CG2 3.88Å; L755-I780 HydrophobicContact CD1-CB 4.33Å; L755-I780 HydrophobicContact CD1-CG2 3.9Å; L755-I780 HydrophobicContact CD2-CG2 3.9Å; L755-I780 HydrophobicContact CG-CG2 4.09Å; L755-V781 HydrophobicContact CD1-CB 4.48Å; L755-V781 HydrophobicContact CD1-CG2 3.48Å; L755-V781 VanDerWaalsContact CD1-CG2 3.48Å; L755-Y784 HydrophobicContact CD2-CD2 3.74Å; L755-Y784 HydrophobicContact CD2-CE2 4.31Å; L755-Y784 HydrophobicContact CD2-CG 3.91Å
756E73.2Confident73.4Confident136 Ų13681.8 Ų81.864%0.63643%0.434SS*.Hα-helixtrans-59.5-43.9177.2-74.5178.8175.800111.5A752 C753 F758 L759 A760A752-E756 WeakPolarHBondContact O-CG 3.4Å; A752-E756 PolarHBondContact O-N 3.06Å; C753-E756 PolarHBondContact O-N 2.95Å; E756-F758 VanDerWaalsContact C-N 3.31Å; E756-F758 PolarHBondContact O-N 2.62Å; E756-L759 PolarHBondContact O-N 2.77Å; E756-A760 WeakPolarHBondContact O-CB 3.4Å; E756-A760 PolarHBondContact O-N 2.86Å
757A75.8Confident72.6Confident61 Ų6184.2 Ų84.250%0.50443%0.432SS..Hα-helixtrans-60.1-41.4176.400000112C753 L755 A760 Q761C753-A757 VanDerWaalsContact O-CB 3.3Å; C753-A757 WeakPolarHBondContact O-CB 3.29Å; C753-A757 PolarHBondContact O-N 2.65Å; L755-A757 VanDerWaalsContact C-N 3.32Å; L755-A757 PolarHBondContact O-N 2.89Å; A757-A760 PolarHBondContact O-N 3.2Å; A757-Q761 PolarHBondContact O-N 3.24Å
758F69.8Low72.3Confident9 Ų990 Ų904%0.03946%0.457CS..Hα-helixtrans-69.4-43.1177.2175.7-96000113.5L754 L755 E756 A760 Q761 W766 S777 T778 V781L754-F758 WeakPolarHBondContact O-CB 3.25Å; L754-F758 PolarHBondContact O-N 3.19Å; L754-F758 VanDerWaalsContact O-N 3.08Å; L755-F758 PolarHBondContact O-N 3.3Å; E756-F758 VanDerWaalsContact C-N 3.31Å; E756-F758 PolarHBondContact O-N 2.62Å; F758-A760 PolarHBondContact O-N 3.32Å; F758-Q761 WeakPolarHBondContact O-CB 3.46Å; F758-Q761 PolarHBondContact O-N 3.16Å; F758-W766 HydrophobicContact CE1-CD2 4.23Å; F758-W766 AromaticContact CE1-CE2 3.97Å; F758-W766 HydrophobicContact CE1-CG 4.43Å; F758-W766 HydrophobicContact CE1-CZ2 4.35Å; F758-W766 AromaticContact CE1-NE1 3.97Å; F758-W766 HydrophobicContact CE2-CB 4.47Å; F758-W766 AromaticContact CE2-CD1 3.61Å; F758-W766 HydrophobicContact CE2-CG 4.03Å; F758-W766 HydrophobicContact CZ-CB 4.22Å; F758-W766 AromaticContact CZ-CD1 3.59Å; F758-W766 AromaticContact CZ-CD2 3.89Å; F758-W766 HydrophobicContact CZ-CD2 3.89Å; F758-W766 AromaticContact CZ-CE2 3.98Å; F758-W766 AromaticContact CZ-CG 3.67Å; F758-W766 HydrophobicContact CZ-CG 3.67Å; F758-W766 AromaticContact CZ-NE1 3.78Å; F758-W766 PolarHBondContact O-NE1 2.92Å; F758-W766 VanDerWaalsContact O-NE1 3.09Å; F758-S777 WeakPolarHBondContact CD2-OG 3.44Å; F758-S777 VanDerWaalsContact CG-CB 3.43Å; F758-T778 HydrophobicContact CE1-CG2 4.39Å; F758-T778 HydrophobicContact CE2-CG2 3.48Å; F758-T778 VanDerWaalsContact CE2-CG2 3.48Å; F758-T778 HydrophobicContact CZ-CG2 3.4Å; F758-T778 VanDerWaalsContact CZ-CG2 3.4Å; F758-V781 HydrophobicContact CD1-CG2 3.67Å; F758-V781 HydrophobicContact CE1-CG2 3.64Å
759L72.2Confident72Confident91 Ų9183.1 Ų83.148%0.47643%0.432SS..Hα-helixtrans-64.3-23.4176.7-69.3175.1000112.1L755 E756 V781L755-L759 HydrophobicContact CD1-CD1 4.11Å; L755-L759 HydrophobicContact CD1-CG 4.13Å; L755-L759 HydrophobicContact CG-CD1 3.97Å; L755-L759 HydrophobicContact CG-CG 4.39Å; L755-L759 WeakPolarHBondContact O-CG 3.26Å; L755-L759 PolarHBondContact O-N 2.61Å; E756-L759 PolarHBondContact O-N 2.77Å; L759-V781 HydrophobicContact CD2-CG2 4.25Å
760A78.4Confident71.3Confident86 Ų8679 Ų7971%0.71142%0.422SS*.THydrogen-bonded Turntrans-81.8-12.9174.100000114.3E756 A757 F758E756-A760 WeakPolarHBondContact O-CB 3.4Å; E756-A760 PolarHBondContact O-N 2.86Å; A757-A760 PolarHBondContact O-N 3.2Å; F758-A760 PolarHBondContact O-N 3.32Å
761Q74.6Confident70.6Confident56 Ų5678.4 Ų78.426%0.26242%0.418SS..SBendtrans-70.4157.4177.1-71172.8-35.200112A757 F758 E765 D769A757-Q761 PolarHBondContact O-N 3.24Å; F758-Q761 WeakPolarHBondContact O-CB 3.46Å; F758-Q761 PolarHBondContact O-N 3.16Å; Q761-E765 HydrophobicContact CB-CB 4.48Å; Q761-E765 WeakPolarHBondContact CB-OE2 3.28Å; Q761-D769 PolarHBondContact NE2-OD2 3.47Å; Q761-D769 PolarHBondContact OE1-OD2 3.11Å
762Q76.4Confident70.1Confident138 Ų13882.4 Ų82.465%0.64544%0.436SS*.  trans-73.3145172.5-66.5-172.416.200110.8C764 E765 W766Q762-C764 PolarHBondContact O-N 3.07Å; Q762-E765 WeakPolarHBondContact O-CB 3.35Å; Q762-E765 PolarHBondContact O-N 3.27Å; Q762-W766 PolarHBondContact O-N 3.13Å
763V70.5Confident69.4Low108 Ų10881.8 Ų81.866%0.65543%0.43SS*.Hα-helixtrans-56-28-178.8179.80000113.2E765 W766V763-E765 VanDerWaalsContact C-N 3.32Å; V763-E765 PolarHBondContact O-N 2.9Å; V763-W766 HydrophobicContact CG1-CE3 4.37Å; V763-W766 HydrophobicContact CG2-CE3 4.48Å; V763-W766 HydrophobicContact CG2-CZ3 4.43Å; V763-W766 PolarHBondContact O-N 3.08Å
764C72.4Confident68.4Low78 Ų7883.5 Ų83.553%0.52744%0.442SS..Hα-helixtrans-66.7-31.1175.3560000113.3Q762Q762-C764 PolarHBondContact O-N 3.07Å
765E71.9Confident67.4Low84 Ų8483 Ų8339%0.39344%0.439SS..Hα-helixtrans-73.6-36.1176.9-61.7-177.3157.400110.8Q761 Q762 V763 R767 Q768 D769Q761-E765 HydrophobicContact CB-CB 4.48Å; Q761-E765 WeakPolarHBondContact CB-OE2 3.28Å; Q762-E765 WeakPolarHBondContact O-CB 3.35Å; Q762-E765 PolarHBondContact O-N 3.27Å; V763-E765 VanDerWaalsContact C-N 3.32Å; V763-E765 PolarHBondContact O-N 2.9Å; E765-R767 PolarHBondContact O-N 2.84Å; E765-R767 VanDerWaalsContact O-N 3.11Å; E765-Q768 PolarHBondContact O-N 3.36Å; E765-D769 PolarHBondContact O-N 2.95Å
766W67.2Low66.4Low89 Ų8984.3 Ų84.334%0.33745%0.448SS..Hα-helixtrans-55.1-35.8176.8-62.2-2.5000112.7F758 Q762 V763 A770F758-W766 HydrophobicContact CE1-CD2 4.23Å; F758-W766 AromaticContact CE1-CE2 3.97Å; F758-W766 HydrophobicContact CE1-CG 4.43Å; F758-W766 HydrophobicContact CE1-CZ2 4.35Å; F758-W766 AromaticContact CE1-NE1 3.97Å; F758-W766 HydrophobicContact CE2-CB 4.47Å; F758-W766 AromaticContact CE2-CD1 3.61Å; F758-W766 HydrophobicContact CE2-CG 4.03Å; F758-W766 HydrophobicContact CZ-CB 4.22Å; F758-W766 AromaticContact CZ-CD1 3.59Å; F758-W766 AromaticContact CZ-CD2 3.89Å; F758-W766 HydrophobicContact CZ-CD2 3.89Å; F758-W766 AromaticContact CZ-CE2 3.98Å; F758-W766 AromaticContact CZ-CG 3.67Å; F758-W766 HydrophobicContact CZ-CG 3.67Å; F758-W766 AromaticContact CZ-NE1 3.78Å; F758-W766 PolarHBondContact O-NE1 2.92Å; F758-W766 VanDerWaalsContact O-NE1 3.09Å; Q762-W766 PolarHBondContact O-N 3.13Å; V763-W766 HydrophobicContact CG1-CE3 4.37Å; V763-W766 HydrophobicContact CG2-CE3 4.48Å; V763-W766 HydrophobicContact CG2-CZ3 4.43Å; V763-W766 PolarHBondContact O-N 3.08Å; W766-A770 PolarHBondContact O-N 3.18Å
767R65.2Low65.4Low193 Ų19378 Ų7873%0.72842%0.419SS*.Hα-helixtrans-70.7-35.3177.6-173.3177.5179.6-175.10.7112.3E765 F771E765-R767 PolarHBondContact O-N 2.84Å; E765-R767 VanDerWaalsContact O-N 3.11Å; R767-F771 WeakPolarHBondContact O-CD2 3.44Å; R767-F771 WeakPolarHBondContact O-CE2 3.25Å
768Q66.9Low64.1Low135 Ų13576.8 Ų76.863%0.63141%0.405SS*.Hα-helixtrans-71.1-42.4175.5-65.4-176.41.100110.2E765 A770 F771E765-Q768 PolarHBondContact O-N 3.36Å; Q768-A770 PolarHBondContact O-N 3.34Å; Q768-F771 PolarHBondContact O-N 3.37Å
769D66Low63.4Low24 Ų2477 Ų7713%0.12841%0.407CS..Hα-helixtrans-64.5-27.1178.7-73.8-6.4000112.8Q761 E765 F771 H772Q761-D769 PolarHBondContact NE2-OD2 3.47Å; Q761-D769 PolarHBondContact OE1-OD2 3.11Å; E765-D769 PolarHBondContact O-N 2.95Å; D769-F771 PolarHBondContact O-N 3.48Å; D769-F771 VanDerWaalsContact O-N 3.09Å; D769-H772 PolarHBondContact O-N 2.8Å
770A61Low62.4Low54 Ų5473.7 Ų73.745%0.44639%0.389SS..THydrogen-bonded Turntrans-58.5-21.2175.300000113.8W766 Q768W766-A770 PolarHBondContact O-N 3.18Å; Q768-A770 PolarHBondContact O-N 3.34Å
771F60.3Low61.3Low113 Ų11371 Ų7150%0.49636%0.364SS..THydrogen-bonded Turntrans-92.5-3.3177.6-59.1-75.9000113.8R767 Q768 D769R767-F771 WeakPolarHBondContact O-CD2 3.44Å; R767-F771 WeakPolarHBondContact O-CE2 3.25Å; Q768-F771 PolarHBondContact O-N 3.37Å; D769-F771 PolarHBondContact O-N 3.48Å; D769-F771 VanDerWaalsContact O-N 3.09Å
772H61.1Low60.3Low114 Ų11470 Ų7053%0.52836%0.363SS..  trans-102.7124.7-179.2-76-74.1000111.8D769 S774D769-H772 PolarHBondContact O-N 2.8Å; H772-S774 PolarHBondContact O-N 3.39Å
773V57.5Low59.2Low16 Ų1664.2 Ų64.210%0.09734%0.336CS..THydrogen-bonded Turntrans-67-22.6-178.7-160.70000113.1I605 E606 E609I605-V773 HydrophobicContact CB-CG1 3.92Å; I605-V773 HydrophobicContact CD1-CG1 3.86Å; I605-V773 HydrophobicContact CG2-CG1 3.58Å; E606-V773 HydrophobicContact CB-CG2 4.47Å; E609-V773 HydrophobicContact CB-CG2 4.39Å; E609-V773 HydrophobicContact CG-CG2 3.77Å; E609-V773 WeakPolarHBondContact OE1-CG2 3.49Å; E609-V773 WeakPolarHBondContact OE2-CG2 3.26Å
774S54.2Low58.4Low91 Ų9165 Ų6564%0.63633%0.328SS*.THydrogen-bonded Turntrans-88-11.3-166.761.90000115.5H772 T776H772-S774 PolarHBondContact O-N 3.39Å; S774-T776 PolarHBondContact O-N 3.36Å
775L51.4Low57.5Low51 Ų5167.5 Ų67.527%0.26733%0.33SS..  trans-9396.3-176.2-88.7129.8000110.9S777 T778 H779L775-S777 WeakPolarHBondContact CD2-OG 3.19Å; L775-S777 PolarHBondContact O-N 2.92Å; L775-T778 PolarHBondContact O-OG1 2.87Å; L775-H779 PolarHBondContact O-ND1 3.19Å
776T49.3Very low56.5Low43 Ų4365 Ų6526%0.26432%0.318SS..Hα-helixtrans-48.3-21164.94.90000112.9S774 H779 I780S774-T776 PolarHBondContact O-N 3.36Å; T776-H779 CarbonylContact O-C 3.51Å; T776-H779 WeakPolarHBondContact O-CB 3.5Å; T776-H779 PolarHBondContact O-N 2.69Å; T776-I780 HydrophobicContact CG2-CD1 4.49Å; T776-I780 WeakPolarHBondContact O-CB 3.44Å; T776-I780 WeakPolarHBondContact O-CD1 3.49Å; T776-I780 WeakPolarHBondContact O-CG1 3.25Å; T776-I780 PolarHBondContact O-N 2.84Å
777S50.6Low55.7Low3 Ų365 Ų652%0.02132%0.323CS..Hα-helixtrans-68.6-49.1-17140.10000115.5F758 L775 H779 I780 V781F758-S777 WeakPolarHBondContact CD2-OG 3.44Å; F758-S777 VanDerWaalsContact CG-CB 3.43Å; L775-S777 WeakPolarHBondContact CD2-OG 3.19Å; L775-S777 PolarHBondContact O-N 2.92Å; S777-H779 PolarHBondContact O-N 3.48Å; S777-I780 PolarHBondContact O-N 2.83Å; S777-V781 WeakPolarHBondContact O-CG2 3.39Å; S777-V781 PolarHBondContact O-N 3.17Å
778T48.7Very low55Low36 Ų3657.4 Ų57.422%0.22130%0.299CS..Hα-helixtrans-58-31.7172.244.50000111.4F758 L775 S782F758-T778 HydrophobicContact CE1-CG2 4.39Å; F758-T778 HydrophobicContact CE2-CG2 3.48Å; F758-T778 VanDerWaalsContact CE2-CG2 3.48Å; F758-T778 HydrophobicContact CZ-CG2 3.4Å; F758-T778 VanDerWaalsContact CZ-CG2 3.4Å; L775-T778 PolarHBondContact O-OG1 2.87Å; T778-S782 PolarHBondContact O-N 3.13Å; T778-S782 PolarHBondContact O-OG 3.21Å
779H54.6Low54.1Low15 Ų1557.1 Ų57.17%0.06930%0.302CS..Hα-helixtrans-77.7-38.1-180-58.191.2000113V699 H700 K703 L775 T776 S777 V781 S782 F783V699-H779 HydrophobicContact CG1-CB 3.49Å; V699-H779 VanDerWaalsContact CG1-CB 3.49Å; H700-H779 AromaticContact CE1-CD2 3.7Å; H700-H779 AromaticContact CE1-CE1 3.71Å; H700-H779 AromaticContact CE1-NE2 3.22Å; H700-H779 PolarHBondContact CE1-NE2 3.13Å; H700-H779 AromaticContact ND1-CD2 3.58Å; H700-H779 AromaticContact ND1-NE2 3.37Å; H700-H779 PolarHBondContact ND1-NE2 2.85Å; K703-H779 PolarHBondContact NZ-NE2 2.99Å; L775-H779 PolarHBondContact O-ND1 3.19Å; T776-H779 CarbonylContact O-C 3.51Å; T776-H779 WeakPolarHBondContact O-CB 3.5Å; T776-H779 PolarHBondContact O-N 2.69Å; S777-H779 PolarHBondContact O-N 3.48Å; H779-V781 VanDerWaalsContact C-N 3.26Å; H779-V781 PolarHBondContact O-N 2.89Å; H779-S782 WeakPolarHBondContact O-CB 3.23Å; H779-S782 PolarHBondContact O-N 3.07Å; H779-F783 PolarHBondContact O-N 3.22Å
780I52.1Low53Low20 Ų2065 Ų6510%0.10333%0.331CS..Hα-helixtrans-64.7-34.1172.1-66.1157.7000109.4H751 L754 L755 T776 S777 S782 F783 Y784H751-I780 HydrophobicContact CB-CD1 4Å; L754-I780 HydrophobicContact CB-CD1 4.3Å; L755-I780 HydrophobicContact CB-CG2 3.88Å; L755-I780 HydrophobicContact CD1-CB 4.33Å; L755-I780 HydrophobicContact CD1-CG2 3.9Å; L755-I780 HydrophobicContact CD2-CG2 3.9Å; L755-I780 HydrophobicContact CG-CG2 4.09Å; T776-I780 HydrophobicContact CG2-CD1 4.49Å; T776-I780 WeakPolarHBondContact O-CB 3.44Å; T776-I780 WeakPolarHBondContact O-CD1 3.49Å; T776-I780 WeakPolarHBondContact O-CG1 3.25Å; T776-I780 PolarHBondContact O-N 2.84Å; S777-I780 PolarHBondContact O-N 2.83Å; I780-S782 VanDerWaalsContact C-N 3.34Å; I780-S782 PolarHBondContact O-N 3.43Å; I780-F783 CarbonylContact O-C 3.56Å; I780-F783 PolarHBondContact O-N 3.31Å; I780-Y784 VanDerWaalsContact O-CB 3.23Å; I780-Y784 WeakPolarHBondContact O-CB 3.39Å; I780-Y784 PolarHBondContact O-N 2.86Å
781V54.7Low52.1Low30 Ų3066.3 Ų66.318%0.18233%0.325CS..Hα-helixtrans-60.4-43.1172.91730000111.4L755 F758 L759 S777 H779 F783 Y784 F785L755-V781 HydrophobicContact CD1-CB 4.48Å; L755-V781 HydrophobicContact CD1-CG2 3.48Å; L755-V781 VanDerWaalsContact CD1-CG2 3.48Å; F758-V781 HydrophobicContact CD1-CG2 3.67Å; F758-V781 HydrophobicContact CE1-CG2 3.64Å; L759-V781 HydrophobicContact CD2-CG2 4.25Å; S777-V781 WeakPolarHBondContact O-CG2 3.39Å; S777-V781 PolarHBondContact O-N 3.17Å; H779-V781 VanDerWaalsContact C-N 3.26Å; H779-V781 PolarHBondContact O-N 2.89Å; V781-F783 VanDerWaalsContact C-N 3.32Å; V781-F783 PolarHBondContact O-N 3.14Å; V781-Y784 PolarHBondContact O-N 3.28Å; V781-F785 HydrophobicContact CG1-CD2 3.8Å; V781-F785 HydrophobicContact CG1-CE2 4.09Å; V781-F785 WeakPolarHBondContact O-CB 3.34Å; V781-F785 PolarHBondContact O-N 3.37Å
782S54.5Low51.1Low35 Ų3568.9 Ų68.925%0.24533%0.332CS..Hα-helixtrans-60.7-42175.6-52.50000112T778 H779 I780 F786T778-S782 PolarHBondContact O-N 3.13Å; T778-S782 PolarHBondContact O-OG 3.21Å; H779-S782 WeakPolarHBondContact O-CB 3.23Å; H779-S782 PolarHBondContact O-N 3.07Å; I780-S782 VanDerWaalsContact C-N 3.34Å; I780-S782 PolarHBondContact O-N 3.43Å; S782-F786 PolarHBondContact O-N 3.08Å
783F52.4Low49.9Very low17 Ų1771.2 Ų71.28%0.07534%0.338CS..Hα-helixtrans-68.6-41.3176.7-175.7-109.6000112.7L702 A735 C738 L739 I742 H779 I780 V781 F786 L787L702-F783 HydrophobicContact CD2-CD2 3.92Å; A735-F783 HydrophobicContact CB-CE2 4.03Å; C738-F783 HydrophobicContact CB-CD2 4.21Å; C738-F783 HydrophobicContact CB-CE2 3.59Å; C738-F783 HydrophobicContact CB-CZ 3.96Å; L739-F783 HydrophobicContact CD2-CE1 4.11Å; L739-F783 HydrophobicContact CD2-CZ 3.62Å; L739-F783 HydrophobicContact CG-CZ 3.8Å; I742-F783 HydrophobicContact CD1-CE1 3.76Å; I742-F783 HydrophobicContact CD1-CZ 4.19Å; H779-F783 PolarHBondContact O-N 3.22Å; I780-F783 CarbonylContact O-C 3.56Å; I780-F783 PolarHBondContact O-N 3.31Å; V781-F783 VanDerWaalsContact C-N 3.32Å; V781-F783 PolarHBondContact O-N 3.14Å; F783-F786 WeakPolarHBondContact O-CB 3.28Å; F783-F786 PolarHBondContact O-N 3.19Å; F783-L787 HydrophobicContact CD1-CD1 3.8Å; F783-L787 HydrophobicContact CE1-CD1 3.29Å; F783-L787 HydrophobicContact CE1-CG 4.26Å; F783-L787 HydrophobicContact CE2-CD1 4.38Å; F783-L787 HydrophobicContact CZ-CD1 3.63Å; F783-L787 HydrophobicContact CZ-CG 4.3Å; F783-L787 PolarHBondContact O-N 3.4Å; F783-L787 VanDerWaalsContact O-N 3.1Å
784Y55.2Low48.8Very low125 Ų12578.2 Ų78.249%0.4936%0.364SS..Hα-helixtrans-64.6-43.5177.7-173.4-96.8000111.2L755 I780 V781 F786 L787 T788L755-Y784 HydrophobicContact CD2-CD2 3.74Å; L755-Y784 HydrophobicContact CD2-CE2 4.31Å; L755-Y784 HydrophobicContact CD2-CG 3.91Å; I780-Y784 VanDerWaalsContact O-CB 3.23Å; I780-Y784 WeakPolarHBondContact O-CB 3.39Å; I780-Y784 PolarHBondContact O-N 2.86Å; V781-Y784 PolarHBondContact O-N 3.28Å; Y784-F786 PolarHBondContact O-N 3.02Å; Y784-L787 PolarHBondContact O-N 3.21Å; Y784-L787 VanDerWaalsContact O-N 3.09Å; Y784-T788 HydrophobicContact CD1-CG2 3.66Å; Y784-T788 HydrophobicContact CE1-CG2 3.27Å; Y784-T788 HydrophobicContact CE2-CG2 4.32Å; Y784-T788 HydrophobicContact CG-CG2 4.33Å; Y784-T788 WeakPolarHBondContact O-CG2 3.46Å; Y784-T788 PolarHBondContact O-N 3.38Å; Y784-T788 PolarHBondContact O-OG1 3.09Å
785F53.1Low47.9Very low130 Ų13077.8 Ų77.857%0.5735%0.349SS*.Hα-helixtrans-56.3-37.1173.7-105.7-80000112.4V781 T788V781-F785 HydrophobicContact CG1-CD2 3.8Å; V781-F785 HydrophobicContact CG1-CE2 4.09Å; V781-F785 WeakPolarHBondContact O-CB 3.34Å; V781-F785 PolarHBondContact O-N 3.37Å; F785-T788 PolarHBondContact O-OG1 3.24Å
786F49.4Very low47Very low32 Ų3281.8 Ų81.814%0.1436%0.361CS..Hα-helixtrans-72.1-34.2178-152.6-89.7000112.7M706 L731 P732 A735 S782 F783 Y784 Y791M706-F786 HydrophobicContact CE-CD2 4.48Å; L731-F786 HydrophobicContact CB-CE2 3.9Å; L731-F786 HydrophobicContact CB-CZ 3.63Å; L731-F786 HydrophobicContact CD1-CE2 3.94Å; L731-F786 HydrophobicContact CD1-CZ 4.4Å; L731-F786 HydrophobicContact CG-CE2 4.49Å; P732-F786 HydrophobicContact CG-CE1 4.21Å; P732-F786 HydrophobicContact CG-CZ 4.25Å; A735-F786 HydrophobicContact CB-CD1 4.46Å; S782-F786 PolarHBondContact O-N 3.08Å; F783-F786 WeakPolarHBondContact O-CB 3.28Å; F783-F786 PolarHBondContact O-N 3.19Å; Y784-F786 PolarHBondContact O-N 3.02Å; F786-Y791 HydrophobicContact CD2-CD1 4.43Å; F786-Y791 HydrophobicContact CD2-CE1 4.36Å; F786-Y791 HydrophobicContact CE2-CD1 4.23Å; F786-Y791 AromaticContact CE2-CE1 3.91Å; F786-Y791 HydrophobicContact CE2-CE1 3.91Å
787L51.3Low46.2Very low87 Ų8788.2 Ų88.246%0.45538%0.382SS..Hα-helixtrans-84-21.7179.3-69.6179.2000114.1L739 F783 Y784L739-L787 HydrophobicContact CD2-CD1 4.21Å; F783-L787 HydrophobicContact CD1-CD1 3.8Å; F783-L787 HydrophobicContact CE1-CD1 3.29Å; F783-L787 HydrophobicContact CE1-CG 4.26Å; F783-L787 HydrophobicContact CE2-CD1 4.38Å; F783-L787 HydrophobicContact CZ-CD1 3.63Å; F783-L787 HydrophobicContact CZ-CG 4.3Å; F783-L787 PolarHBondContact O-N 3.4Å; F783-L787 VanDerWaalsContact O-N 3.1Å; Y784-L787 PolarHBondContact O-N 3.21Å; Y784-L787 VanDerWaalsContact O-N 3.09Å
788T50.1Low45.2Very low35 Ų3596.8 Ų96.822%0.21542%0.415CS..SBendtrans-69.1142.4176.149.30000111.5Y784 F785 Y790 Y791Y784-T788 HydrophobicContact CD1-CG2 3.66Å; Y784-T788 HydrophobicContact CE1-CG2 3.27Å; Y784-T788 HydrophobicContact CE2-CG2 4.32Å; Y784-T788 HydrophobicContact CG-CG2 4.33Å; Y784-T788 WeakPolarHBondContact O-CG2 3.46Å; Y784-T788 PolarHBondContact O-N 3.38Å; Y784-T788 PolarHBondContact O-OG1 3.09Å; F785-T788 PolarHBondContact O-OG1 3.24Å; T788-Y790 PolarHBondContact O-N 3.44Å; T788-Y791 PolarHBondContact O-N 3.46Å
789D47.9Very low44.4Very low129 Ų129103.4 Ų103.469%0.6944%0.437SS*.Hα-helixtrans-49.8-22.7178.9-71.9-34.4000114Y791 Y792 Y793D789-Y791 VanDerWaalsContact C-N 3.32Å; D789-Y791 PolarHBondContact O-N 3.47Å; D789-Y792 WeakPolarHBondContact O-CB 3.24Å; D789-Y792 PolarHBondContact O-N 3.32Å; D789-Y793 WeakPolarHBondContact O-CB 3.36Å; D789-Y793 PolarHBondContact O-N 3.1Å
790Y43.7Very low43.2Very low189 Ų189113.6 Ų113.674%0.74148%0.477SS*.Hα-helixtrans-57.4-39.9176.7-105.3-84000113.3T788 Y794T788-Y790 PolarHBondContact O-N 3.44Å; Y790-Y794 WeakPolarHBondContact O-CB 3.2Å; Y790-Y794 PolarHBondContact O-N 2.93Å
791Y42.2Very low42.8Very low82 Ų82118.3 Ų118.332%0.32250%0.495SS..Hα-helixtrans-73.4-38.9176.4-141.6-87.7000111F786 T788 D789 Y793 Y794 Y795F786-Y791 HydrophobicContact CD2-CD1 4.43Å; F786-Y791 HydrophobicContact CD2-CE1 4.36Å; F786-Y791 HydrophobicContact CE2-CD1 4.23Å; F786-Y791 AromaticContact CE2-CE1 3.91Å; F786-Y791 HydrophobicContact CE2-CE1 3.91Å; T788-Y791 PolarHBondContact O-N 3.46Å; D789-Y791 VanDerWaalsContact C-N 3.32Å; D789-Y791 PolarHBondContact O-N 3.47Å; Y791-Y793 VanDerWaalsContact C-N 3.29Å; Y791-Y793 PolarHBondContact O-N 2.95Å; Y791-Y794 PolarHBondContact O-N 2.87Å; Y791-Y795 HydrophobicContact CD1-CD2 4.16Å; Y791-Y795 AromaticContact CE1-CD2 3.88Å; Y791-Y795 HydrophobicContact CE1-CD2 3.88Å; Y791-Y795 HydrophobicContact CE1-CE2 4.29Å; Y791-Y795 WeakPolarHBondContact O-CB 3.42Å; Y791-Y795 PolarHBondContact O-N 3.26Å
792Y39.9Very low42.1Very low166 Ų166122.9 Ų122.965%0.65151%0.512SS*.Hα-helixtrans-58.8-43.4174-160-88.2000110.9D789 Y796D789-Y792 WeakPolarHBondContact O-CB 3.24Å; D789-Y792 PolarHBondContact O-N 3.32Å; Y792-Y796 HydrophobicContact CE1-CD2 4.22Å; Y792-Y796 WeakPolarHBondContact O-CB 3.46Å; Y792-Y796 PolarHBondContact O-N 3.45Å
793Y36.2Very low41.5Very low164 Ų164127.8 Ų127.864%0.64353%0.527SS*.Hα-helixtrans-64.4-45.1175.2-117.3-85.1000112.1D789 Y791 Y795 Y796 Y797D789-Y793 WeakPolarHBondContact O-CB 3.36Å; D789-Y793 PolarHBondContact O-N 3.1Å; Y791-Y793 VanDerWaalsContact C-N 3.29Å; Y791-Y793 PolarHBondContact O-N 2.95Å; Y793-Y795 PolarHBondContact O-N 2.67Å; Y793-Y796 PolarHBondContact O-N 2.87Å; Y793-Y797 HydrophobicContact CD1-CD2 4.47Å; Y793-Y797 WeakPolarHBondContact O-CB 3.3Å; Y793-Y797 PolarHBondContact O-N 3.4Å
794Y34.5Very low40.8Very low162 Ų162134.3 Ų134.364%0.63555%0.553SS**Hα-helixtrans-66.1-38-179.6-138.8-85000112Y790 Y791 Y798Y790-Y794 WeakPolarHBondContact O-CB 3.2Å; Y790-Y794 PolarHBondContact O-N 2.93Å; Y791-Y794 PolarHBondContact O-N 2.87Å; Y794-Y798 HydrophobicContact CD1-CD2 4.24Å; Y794-Y798 HydrophobicContact CE1-CD2 4.01Å; Y794-Y798 HydrophobicContact CE1-CE2 4.03Å; Y794-Y798 PolarHBondContact O-N 3.4Å
795Y34.5Very low39.9Very low83 Ų83134.9 Ų134.933%0.32556%0.557SS.*Hα-helixtrans-70-43.5176.3-135.8-89.1000111.5Y791 Y793 Y797 Y798 Y799Y791-Y795 HydrophobicContact CD1-CD2 4.16Å; Y791-Y795 AromaticContact CE1-CD2 3.88Å; Y791-Y795 HydrophobicContact CE1-CD2 3.88Å; Y791-Y795 HydrophobicContact CE1-CE2 4.29Å; Y791-Y795 WeakPolarHBondContact O-CB 3.42Å; Y791-Y795 PolarHBondContact O-N 3.26Å; Y793-Y795 PolarHBondContact O-N 2.67Å; Y795-Y797 VanDerWaalsContact C-N 3.31Å; Y795-Y797 PolarHBondContact O-N 2.98Å; Y795-Y798 PolarHBondContact O-N 3.37Å; Y795-Y799 HydrophobicContact CE1-CD2 4.32Å; Y795-Y799 PolarHBondContact O-N 2.92Å
796Y32.3Very low39Very low134 Ų134135.2 Ų135.253%0.52556%0.556SS.*Hα-helixtrans-64.9-35179.3-158.4-84000111.9Y792 Y793 Y800Y792-Y796 HydrophobicContact CE1-CD2 4.22Å; Y792-Y796 WeakPolarHBondContact O-CB 3.46Å; Y792-Y796 PolarHBondContact O-N 3.45Å; Y793-Y796 PolarHBondContact O-N 2.87Å; Y796-Y800 PolarHBondContact O-N 3.16Å
797Y32.1Very low38.3Very low179 Ų179142.6 Ų142.670%0.70259%0.586SS**Hα-helixtrans-80.6-19.4-177.4-130.3-83.6000114.9Y793 Y795Y793-Y797 HydrophobicContact CD1-CD2 4.47Å; Y793-Y797 WeakPolarHBondContact O-CB 3.3Å; Y793-Y797 PolarHBondContact O-N 3.4Å; Y795-Y797 VanDerWaalsContact C-N 3.31Å; Y795-Y797 PolarHBondContact O-N 2.98Å
798Y30.2Very low37.3Very low183 Ų183146.8 Ų146.872%0.71860%0.596SS**Hα-helixtrans-102.5-24.5-176.9-106.2-82.2000113.9Y794 Y795Y794-Y798 HydrophobicContact CD1-CD2 4.24Å; Y794-Y798 HydrophobicContact CE1-CD2 4.01Å; Y794-Y798 HydrophobicContact CE1-CE2 4.03Å; Y794-Y798 PolarHBondContact O-N 3.4Å; Y795-Y798 PolarHBondContact O-N 3.37Å
799Y30.5Very low36.2Very low174 Ų174156.2 Ų156.268%0.68263%0.628SS**Hα-helixtrans-102.3-17179.8-102.8-85000114.5Y795Y795-Y799 HydrophobicContact CE1-CD2 4.32Å; Y795-Y799 PolarHBondContact O-N 2.92Å
800Y30.8Very low35.2Very low229 Ų229158.6 Ų158.690%0.89862%0.622SS**  trans-113.40166.7-84.5-78.7000109.6Y796Y796-Y800 PolarHBondContact O-N 3.16Å

Retrieved 800 of 800 residues in 612.6 ms (Link to these results)

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