A0A077ZBZ7_TRITR Loading...

Nuclear cap-binding protein subunit 1

AlphaFold DB , UniProt , Accession A0A077ZBZ7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 694 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
1M75.6Confident88.2Confident117 Ų11746.2 Ų46.258%0.57623%0.23SC*.  073.40-77.9-173.9-84.600108.6Y3 K4 F8M1-Y3 VanDerWaalsContact C-N 3.34Å; M1-Y3 HydrophobicContact CB-CE1 4.22Å; M1-Y3 HydrophobicContact CG-CE1 4.3Å; M1-Y3 PolarHBondContact O-N 3.21Å; M1-K4 HydrophobicContact CB-CB 4.5Å; M1-K4 PolarHBondContact O-N 2.9Å; M1-K4 VanDerWaalsContact O-N 3.12Å; M1-K4 HydrophobicContact SD-CD 4.27Å; M1-F8 HydrophobicContact CB-CE2 3.91Å; M1-F8 HydrophobicContact CE-CE2 3.96Å; M1-F8 HydrophobicContact CE-CZ 3.52Å; M1-F8 HydrophobicContact SD-CE2 4.48Å; M1-F8 HydrophobicContact SD-CZ 4.44Å
2P78.9Confident88.8Confident20 Ų2043.3 Ų43.313%0.1322%0.217CC..G310 helixtrans-67.9-34.3-167.3-1832.6000112.5K4 M5 I48 W243P2-K4 PolarHBondContact O-N 3.41Å; P2-M5 HydrophobicContact CB-CE 4.2Å; P2-M5 VanDerWaalsContact O-CB 3.27Å; P2-M5 WeakPolarHBondContact O-CB 3.25Å; P2-M5 PolarHBondContact O-N 3.49Å; P2-I48 HydrophobicContact CB-CD1 4.39Å; P2-I48 HydrophobicContact CB-CG1 4.16Å; P2-I48 HydrophobicContact CB-CG2 4.12Å; P2-I48 HydrophobicContact CG-CD1 3.52Å; P2-I48 HydrophobicContact CG-CG1 3.81Å; P2-I48 HydrophobicContact CG-CG2 3.9Å; P2-W243 HydrophobicContact CB-CD2 3.48Å; P2-W243 VanDerWaalsContact CB-CD2 3.48Å; P2-W243 HydrophobicContact CB-CE3 3.48Å; P2-W243 VanDerWaalsContact CB-CE3 3.48Å; P2-W243 HydrophobicContact CB-CG 4.13Å; P2-W243 HydrophobicContact CB-CH2 3.64Å; P2-W243 HydrophobicContact CB-CZ2 3.66Å; P2-W243 HydrophobicContact CB-CZ3 3.55Å; P2-W243 HydrophobicContact CG-CD2 3.98Å; P2-W243 HydrophobicContact CG-CE3 4.41Å; P2-W243 HydrophobicContact CG-CG 4.12Å; P2-W243 HydrophobicContact CG-CZ2 4.45Å
3Y78.2Confident89.4Confident38 Ų3840 Ų4015%0.14920%0.2CC..G310 helixtrans-61.9-4.817366-87.9000115.7M1 D240 L244 K247M1-Y3 VanDerWaalsContact C-N 3.34Å; M1-Y3 HydrophobicContact CB-CE1 4.22Å; M1-Y3 HydrophobicContact CG-CE1 4.3Å; M1-Y3 PolarHBondContact O-N 3.21Å; Y3-D240 VanDerWaalsContact CA-OD1 3.29Å; Y3-D240 WeakPolarHBondContact CA-OD1 3.36Å; Y3-D240 WeakPolarHBondContact CB-OD1 3.4Å; Y3-L244 HydrophobicContact CE1-CD1 4.34Å; Y3-K247 HydrophobicContact CE1-CD 4.02Å; Y3-K247 PolarHBondContact OH-NZ 3.49Å
4K85.6Confident89.8Confident93 Ų9340.5 Ų40.540%0.40420%0.203SC..G310 helixtrans-11322.3173.4-73.9-175.7176.5-173.90112M1 P2 T6 V7 F8M1-K4 HydrophobicContact CB-CB 4.5Å; M1-K4 PolarHBondContact O-N 2.9Å; M1-K4 VanDerWaalsContact O-N 3.12Å; M1-K4 HydrophobicContact SD-CD 4.27Å; P2-K4 PolarHBondContact O-N 3.41Å; K4-T6 PolarHBondContact O-N 3.46Å; K4-V7 WeakPolarHBondContact O-CB 3.44Å; K4-V7 PolarHBondContact O-N 2.85Å; K4-V7 VanDerWaalsContact O-N 3.12Å; K4-F8 HydrophobicContact CB-CD2 3.89Å; K4-F8 HydrophobicContact CB-CE2 3.58Å; K4-F8 HydrophobicContact CD-CE2 4.36Å; K4-F8 VanDerWaalsContact O-CD2 3.26Å; K4-F8 WeakPolarHBondContact O-CD2 3.43Å; K4-F8 PolarHBondContact O-N 3.18Å
5M89.5Confident90.2Very high6 Ų643.1 Ų43.13%0.0322%0.216CC..Hα-helixtrans-53.3-50.3-170.9-160.4159.4-68.600113.2P2 V7 F8 S9 I48 I51 F52 W243P2-M5 HydrophobicContact CB-CE 4.2Å; P2-M5 VanDerWaalsContact O-CB 3.27Å; P2-M5 WeakPolarHBondContact O-CB 3.25Å; P2-M5 PolarHBondContact O-N 3.49Å; M5-V7 PolarHBondContact O-N 2.91Å; M5-F8 PolarHBondContact O-N 3.44Å; M5-F8 VanDerWaalsContact O-N 3.13Å; M5-S9 PolarHBondContact O-N 3.43Å; M5-S9 PolarHBondContact O-OG 3.38Å; M5-I48 HydrophobicContact CE-CG2 4.45Å; M5-I51 HydrophobicContact CE-CB 4.14Å; M5-I51 HydrophobicContact CE-CG2 4.03Å; M5-I51 HydrophobicContact SD-CB 3.88Å; M5-I51 HydrophobicContact SD-CG2 3.28Å; M5-I51 WeakPolarHBondContact SD-CG2 3.3Å; M5-F52 HydrophobicContact CE-CB 4.46Å; M5-F52 HydrophobicContact CG-CD2 3.89Å; M5-F52 HydrophobicContact SD-CB 4.37Å; M5-W243 HydrophobicContact CE-CH2 4.45Å
6T89.9Confident90.6Very high9 Ų940.6 Ų40.66%0.05520%0.204CC..Hα-helixtrans-65.8-26.6-176.960.10000113.2K4 S9 A10 Y171 M172K4-T6 PolarHBondContact O-N 3.46Å; T6-S9 WeakPolarHBondContact CA-OG 3.21Å; T6-S9 PolarHBondContact O-OG 2.93Å; T6-A10 VanDerWaalsContact O-CB 3.29Å; T6-A10 WeakPolarHBondContact O-CB 3.48Å; T6-A10 PolarHBondContact O-N 3.27Å; T6-Y171 HydrophobicContact CG2-CD1 4.44Å; T6-Y171 HydrophobicContact CG2-CG 4.25Å; T6-M172 PolarHBondContact OG1-O 2.87Å
7V92.5Very high90.9Very high58 Ų5841.2 Ų41.235%0.35221%0.207SC..Hα-helixtrans-70.1-46.91741790000110K4 M5 L11 Y174K4-V7 WeakPolarHBondContact O-CB 3.44Å; K4-V7 PolarHBondContact O-N 2.85Å; K4-V7 VanDerWaalsContact O-N 3.12Å; M5-V7 PolarHBondContact O-N 2.91Å; V7-L11 WeakPolarHBondContact O-CB 3.41Å; V7-L11 PolarHBondContact O-N 3.48Å; V7-Y174 HydrophobicContact CG2-CD2 3.7Å; V7-Y174 HydrophobicContact CG2-CE2 3.37Å; V7-Y174 HydrophobicContact CG2-CG 4.48Å
8F95Very high91.1Very high70 Ų7049.2 Ų49.231%0.30724%0.24SC..Hα-helixtrans-72.5-36.5-177.9-69.7-60.7000112.5M1 K4 M5 L11 V12 F52M1-F8 HydrophobicContact CB-CE2 3.91Å; M1-F8 HydrophobicContact CE-CE2 3.96Å; M1-F8 HydrophobicContact CE-CZ 3.52Å; M1-F8 HydrophobicContact SD-CE2 4.48Å; M1-F8 HydrophobicContact SD-CZ 4.44Å; K4-F8 HydrophobicContact CB-CD2 3.89Å; K4-F8 HydrophobicContact CB-CE2 3.58Å; K4-F8 HydrophobicContact CD-CE2 4.36Å; K4-F8 VanDerWaalsContact O-CD2 3.26Å; K4-F8 WeakPolarHBondContact O-CD2 3.43Å; K4-F8 PolarHBondContact O-N 3.18Å; M5-F8 PolarHBondContact O-N 3.44Å; M5-F8 VanDerWaalsContact O-N 3.13Å; F8-L11 PolarHBondContact O-N 3.32Å; F8-V12 WeakPolarHBondContact O-CG2 3.28Å; F8-V12 PolarHBondContact O-N 3.47Å; F8-F52 HydrophobicContact CB-CE2 3.72Å; F8-F52 HydrophobicContact CB-CZ 4.16Å
9S94.8Very high91.4Very high2 Ų250.6 Ų50.61%0.01425%0.249CC..Hα-helixtrans-64.4-45.317662.20000110.9M5 T6 L11 V12 G13 S55 C59M5-S9 PolarHBondContact O-N 3.43Å; M5-S9 PolarHBondContact O-OG 3.38Å; T6-S9 WeakPolarHBondContact CA-OG 3.21Å; T6-S9 PolarHBondContact O-OG 2.93Å; S9-L11 VanDerWaalsContact C-N 3.33Å; S9-L11 PolarHBondContact O-N 3.26Å; S9-V12 PolarHBondContact O-N 3.49Å; S9-G13 PolarHBondContact O-N 3.23Å; S9-S55 WeakPolarHBondContact CB-OG 3.19Å; S9-C59 PolarHBondContact O-SG 2.91Å; S9-C59 VanDerWaalsContact O-SG 3.42Å
10A94.3Very high91.6Very high5 Ų553.5 Ų53.54%0.04126%0.258CS..Hα-helixtrans-61-41.1175.600000112.1T6 G13 L14T6-A10 VanDerWaalsContact O-CB 3.29Å; T6-A10 WeakPolarHBondContact O-CB 3.48Å; T6-A10 PolarHBondContact O-N 3.27Å; A10-G13 PolarHBondContact O-N 3.06Å; A10-L14 WeakPolarHBondContact O-CG 3.46Å; A10-L14 PolarHBondContact O-N 2.81Å
11L95.6Very high91.8Very high90 Ų9053.9 Ų53.947%0.47127%0.266SS..Hα-helixtrans-61.1-47.6175.2177.962.2000111.7V7 F8 S9 G13 L14 M15V7-L11 WeakPolarHBondContact O-CB 3.41Å; V7-L11 PolarHBondContact O-N 3.48Å; F8-L11 PolarHBondContact O-N 3.32Å; S9-L11 VanDerWaalsContact C-N 3.33Å; S9-L11 PolarHBondContact O-N 3.26Å; L11-G13 VanDerWaalsContact C-N 3.29Å; L11-G13 PolarHBondContact O-N 2.87Å; L11-L14 PolarHBondContact O-N 3.16Å; L11-M15 HydrophobicContact CG-SD 4.35Å; L11-M15 WeakPolarHBondContact O-CG 3.31Å; L11-M15 PolarHBondContact O-N 2.95Å
12V95.8Very high92.8Very high12 Ų1251 Ų517%0.07325%0.25CS..Hα-helixtrans-60.6-41176.9171.20000110.6F8 S9 L14 M15 N16 F26 F52 L56F8-V12 WeakPolarHBondContact O-CG2 3.28Å; F8-V12 PolarHBondContact O-N 3.47Å; S9-V12 PolarHBondContact O-N 3.49Å; V12-L14 PolarHBondContact O-N 3.19Å; V12-M15 CarbonylContact O-C 3.16Å; V12-M15 WeakPolarHBondContact O-CB 3.41Å; V12-M15 PolarHBondContact O-N 2.89Å; V12-M15 VanDerWaalsContact O-N 3.14Å; V12-N16 PolarHBondContact O-N 3.11Å; V12-F26 HydrophobicContact CG1-CD1 3.95Å; V12-F26 HydrophobicContact CG1-CE1 4.02Å; V12-F26 HydrophobicContact CG2-CE1 3.95Å; V12-F26 HydrophobicContact CG2-CZ 3.98Å; V12-F52 HydrophobicContact CG2-CZ 4.12Å; V12-L56 HydrophobicContact CB-CD2 3.95Å; V12-L56 HydrophobicContact CG1-CD1 4.44Å; V12-L56 HydrophobicContact CG1-CD2 3.76Å
13G95.9Very high93.6Very high0 Ų050 Ų500%025%0.245CC..Hα-helixtrans-60.3-42.7175.300000113.6S9 A10 L11 M15 N16 L17 S61 L182S9-G13 PolarHBondContact O-N 3.23Å; A10-G13 PolarHBondContact O-N 3.06Å; L11-G13 VanDerWaalsContact C-N 3.29Å; L11-G13 PolarHBondContact O-N 2.87Å; G13-M15 VanDerWaalsContact C-N 3.32Å; G13-M15 PolarHBondContact O-N 2.58Å; G13-N16 PolarHBondContact O-N 3.45Å; G13-L17 WeakPolarHBondContact O-CB 3.23Å; G13-L17 PolarHBondContact O-N 3.29Å; G13-S61 VanDerWaalsContact CA-OG 3.28Å; G13-S61 WeakPolarHBondContact CA-OG 3.29Å; G13-L182 VanDerWaalsContact C-CD2 3.48Å
14L95.7Very high94.4Very high47 Ų4751.7 Ų51.725%0.24626%0.256CS..Hα-helixtrans-66.1-35174.6-67.8174.7000112.2A10 L11 V12 K18 H178 L181 L182A10-L14 WeakPolarHBondContact O-CG 3.46Å; A10-L14 PolarHBondContact O-N 2.81Å; L11-L14 PolarHBondContact O-N 3.16Å; V12-L14 PolarHBondContact O-N 3.19Å; L14-K18 WeakPolarHBondContact O-CG 3.33Å; L14-K18 PolarHBondContact O-N 3.49Å; L14-H178 HydrophobicContact CD2-CB 4.35Å; L14-L181 HydrophobicContact CD2-CB 4.47Å; L14-L181 HydrophobicContact CD2-CD1 4.38Å; L14-L182 HydrophobicContact CD2-CD2 4.05Å; L14-L182 HydrophobicContact CG-CD2 4.35Å
15M96.3Very high94.9Very high80 Ų8053.4 Ų53.439%0.39427%0.265SS..Hα-helixtrans-69.1-41.6174.4-68.7-179.77300111.8L11 V12 G13 L17 K18 N19 F22L11-M15 HydrophobicContact CG-SD 4.35Å; L11-M15 WeakPolarHBondContact O-CG 3.31Å; L11-M15 PolarHBondContact O-N 2.95Å; V12-M15 CarbonylContact O-C 3.16Å; V12-M15 WeakPolarHBondContact O-CB 3.41Å; V12-M15 PolarHBondContact O-N 2.89Å; V12-M15 VanDerWaalsContact O-N 3.14Å; G13-M15 VanDerWaalsContact C-N 3.32Å; G13-M15 PolarHBondContact O-N 2.58Å; M15-L17 VanDerWaalsContact C-N 3.34Å; M15-L17 PolarHBondContact O-N 3Å; M15-K18 PolarHBondContact O-N 3.25Å; M15-K18 VanDerWaalsContact O-N 3.11Å; M15-N19 PolarHBondContact O-N 2.91Å; M15-F22 HydrophobicContact CB-CD1 3.78Å; M15-F22 HydrophobicContact CB-CE1 3.52Å; M15-F22 HydrophobicContact CB-CZ 4.47Å; M15-F22 HydrophobicContact CE-CD1 4.14Å; M15-F22 HydrophobicContact CE-CD2 4.36Å; M15-F22 HydrophobicContact CE-CE1 3.54Å; M15-F22 HydrophobicContact CE-CE2 3.77Å; M15-F22 HydrophobicContact CE-CZ 3.33Å; M15-F22 HydrophobicContact CG-CE1 4.31Å; M15-F22 HydrophobicContact SD-CE1 3.91Å; M15-F22 HydrophobicContact SD-CZ 3.95Å
16N96.3Very high95.2Very high3 Ų355.7 Ų55.72%0.01628%0.275CS..Hα-helixtrans-60.5-44.2175-177.451.9000111.5V12 G13 K18 N19 Y20 G23 S185 I186 H188V12-N16 PolarHBondContact O-N 3.11Å; G13-N16 PolarHBondContact O-N 3.45Å; N16-K18 PolarHBondContact O-N 3.07Å; N16-N19 CarbonylContact O-C 3.25Å; N16-N19 PolarHBondContact O-N 3.16Å; N16-Y20 PolarHBondContact O-N 2.96Å; N16-G23 WeakPolarHBondContact OD1-CA 3.4Å; N16-S185 PolarHBondContact ND2-OG 3.18Å; N16-I186 PolarHBondContact ND2-O 3.34Å; N16-H188 PolarHBondContact OD1-NE2 3.48Å
17L95Very high95.5Very high50 Ų5055.6 Ų55.626%0.26227%0.274SS..Hα-helixtrans-56.5-35.9174.5177.867.4000112.3G13 M15 L181 N184G13-L17 WeakPolarHBondContact O-CB 3.23Å; G13-L17 PolarHBondContact O-N 3.29Å; M15-L17 VanDerWaalsContact C-N 3.34Å; M15-L17 PolarHBondContact O-N 3Å; L17-L181 HydrophobicContact CD2-CB 3.98Å; L17-L181 WeakPolarHBondContact CD2-O 3.34Å; L17-N184 HydrophobicContact CD1-CB 4.12Å
18K95.4Very high95.6Very high186 Ų18656.9 Ų56.981%0.80928%0.282SS*.Hα-helixtrans-82.3-33.8178.5-67.9-64.1-178-173.20113.2L14 M15 N16L14-K18 WeakPolarHBondContact O-CG 3.33Å; L14-K18 PolarHBondContact O-N 3.49Å; M15-K18 PolarHBondContact O-N 3.25Å; M15-K18 VanDerWaalsContact O-N 3.11Å; N16-K18 PolarHBondContact O-N 3.07Å
19N96.1Very high95.7Very high76 Ų7659.4 Ų59.441%0.40630%0.295SS..  trans-145.8100.2-178.3-174.6-9.2000110.4M15 N16 S21 F22 G23M15-N19 PolarHBondContact O-N 2.91Å; N16-N19 CarbonylContact O-C 3.25Å; N16-N19 PolarHBondContact O-N 3.16Å; N19-S21 VanDerWaalsContact C-N 3.31Å; N19-S21 PolarHBondContact O-N 3.39Å; N19-S21 PolarHBondContact OD1-N 2.92Å; N19-S21 VanDerWaalsContact OD1-N 3.08Å; N19-S21 PolarHBondContact OD1-OG 2.89Å; N19-F22 HydrophobicContact CB-CB 3.95Å; N19-F22 WeakPolarHBondContact O-CB 3.18Å; N19-F22 PolarHBondContact O-N 3.21Å; N19-F22 PolarHBondContact OD1-N 3.5Å; N19-G23 PolarHBondContact O-N 3.47Å
20Y95.1Very high95.7Very high108 Ų10860.2 Ų60.242%0.42430%0.298SS..Hα-helixtrans-61-37.7178.8-177.8-96.8000112.6N16 F22 G23 N24 I186 H188N16-Y20 PolarHBondContact O-N 2.96Å; Y20-F22 VanDerWaalsContact C-N 3.33Å; Y20-F22 PolarHBondContact O-N 2.96Å; Y20-G23 PolarHBondContact O-N 3.17Å; Y20-N24 PolarHBondContact O-N 2.97Å; Y20-N24 VanDerWaalsContact O-N 3.09Å; Y20-I186 HydrophobicContact CD2-CB 3.81Å; Y20-I186 HydrophobicContact CD2-CG2 4.14Å; Y20-I186 HydrophobicContact CE2-CB 3.68Å; Y20-I186 HydrophobicContact CE2-CG2 3.5Å; Y20-I186 VanDerWaalsContact CE2-CG2 3.5Å; Y20-I186 WeakPolarHBondContact CE2-O 3.26Å; Y20-H188 AromaticContact CD1-CE1 3.75Å; Y20-H188 AromaticContact CD2-CE1 3.39Å; Y20-H188 WeakPolarHBondContact CD2-CE1 3.39Å; Y20-H188 AromaticContact CD2-NE2 3.59Å; Y20-H188 AromaticContact CE1-CE1 3.47Å; Y20-H188 VanDerWaalsContact CE1-CE1 3.47Å; Y20-H188 WeakPolarHBondContact CE1-CE1 3.4Å; Y20-H188 AromaticContact CE1-ND1 3.86Å; Y20-H188 AromaticContact CE2-CE1 3.09Å; Y20-H188 WeakPolarHBondContact CE2-CE1 3.42Å; Y20-H188 AromaticContact CE2-ND1 3.55Å; Y20-H188 AromaticContact CE2-NE2 3.52Å; Y20-H188 AromaticContact CG-CE1 3.72Å; Y20-H188 AromaticContact CZ-CE1 3.14Å; Y20-H188 AromaticContact CZ-ND1 3.31Å; Y20-H188 VanDerWaalsContact CZ-ND1 3.31Å; Y20-H188 PolarHBondContact O-CE1 3.44Å; Y20-H188 PolarHBondContact O-NE2 3.43Å; Y20-H188 PolarHBondContact OH-ND1 3Å
21S95.5Very high95.8Very high61 Ų6161.2 Ų61.243%0.42730%0.303SS..Hα-helixtrans-66.6-38-179.575.70000111.4N19 G23 N24 E25N19-S21 VanDerWaalsContact C-N 3.31Å; N19-S21 PolarHBondContact O-N 3.39Å; N19-S21 PolarHBondContact OD1-N 2.92Å; N19-S21 VanDerWaalsContact OD1-N 3.08Å; N19-S21 PolarHBondContact OD1-OG 2.89Å; S21-G23 PolarHBondContact O-N 3.37Å; S21-N24 PolarHBondContact O-N 2.92Å; S21-E25 WeakPolarHBondContact O-CG 3.5Å; S21-E25 PolarHBondContact O-N 3.18Å
22F96.7Very high95.7Very high56 Ų5659.9 Ų59.925%0.24630%0.301CS..Hα-helixtrans-59.1-46.3172.6167.1-93.8000111.4M15 N19 Y20 N24 E25 F26M15-F22 HydrophobicContact CB-CD1 3.78Å; M15-F22 HydrophobicContact CB-CE1 3.52Å; M15-F22 HydrophobicContact CB-CZ 4.47Å; M15-F22 HydrophobicContact CE-CD1 4.14Å; M15-F22 HydrophobicContact CE-CD2 4.36Å; M15-F22 HydrophobicContact CE-CE1 3.54Å; M15-F22 HydrophobicContact CE-CE2 3.77Å; M15-F22 HydrophobicContact CE-CZ 3.33Å; M15-F22 HydrophobicContact CG-CE1 4.31Å; M15-F22 HydrophobicContact SD-CE1 3.91Å; M15-F22 HydrophobicContact SD-CZ 3.95Å; N19-F22 HydrophobicContact CB-CB 3.95Å; N19-F22 WeakPolarHBondContact O-CB 3.18Å; N19-F22 PolarHBondContact O-N 3.21Å; N19-F22 PolarHBondContact OD1-N 3.5Å; Y20-F22 VanDerWaalsContact C-N 3.33Å; Y20-F22 PolarHBondContact O-N 2.96Å; F22-N24 VanDerWaalsContact C-N 3.32Å; F22-N24 PolarHBondContact O-N 3.09Å; F22-E25 PolarHBondContact O-N 3.36Å; F22-F26 HydrophobicContact CE1-CB 4.46Å; F22-F26 HydrophobicContact CZ-CB 4.35Å; F22-F26 HydrophobicContact CZ-CD2 4.09Å; F22-F26 HydrophobicContact CZ-CG 4.41Å; F22-F26 VanDerWaalsContact O-CB 3.24Å; F22-F26 WeakPolarHBondContact O-CB 3.33Å; F22-F26 PolarHBondContact O-N 3.41Å
23G95.4Very high95.8Very high1 Ų161.2 Ų61.21%0.0131%0.31CS..Hα-helixtrans-58.8-44.1178.300000112.4N16 N19 Y20 S21 F26 I27N16-G23 WeakPolarHBondContact OD1-CA 3.4Å; N19-G23 PolarHBondContact O-N 3.47Å; Y20-G23 PolarHBondContact O-N 3.17Å; S21-G23 PolarHBondContact O-N 3.37Å; G23-F26 PolarHBondContact O-N 3.17Å; G23-I27 WeakPolarHBondContact O-CD1 3.38Å; G23-I27 VanDerWaalsContact O-CG1 3.28Å; G23-I27 WeakPolarHBondContact O-CG1 3.19Å; G23-I27 PolarHBondContact O-N 3.32Å
24N94.9Very high95.8Very high72 Ų7261.2 Ų61.239%0.38531%0.31SS..Hα-helixtrans-62.3-51.1177.1-172.154.4000111.9Y20 S21 F22 F26 I27 V28 H188Y20-N24 PolarHBondContact O-N 2.97Å; Y20-N24 VanDerWaalsContact O-N 3.09Å; S21-N24 PolarHBondContact O-N 2.92Å; F22-N24 VanDerWaalsContact C-N 3.32Å; F22-N24 PolarHBondContact O-N 3.09Å; N24-F26 VanDerWaalsContact C-N 3.27Å; N24-F26 PolarHBondContact O-N 3.33Å; N24-I27 PolarHBondContact O-N 3.34Å; N24-V28 WeakPolarHBondContact O-CG2 3.41Å; N24-V28 PolarHBondContact O-N 3.03Å; N24-H188 VanDerWaalsContact CB-CE1 3.45Å; N24-H188 WeakPolarHBondContact CB-CE1 3.46Å; N24-H188 PolarHBondContact N-CE1 3.32Å; N24-H188 VanDerWaalsContact N-CE1 3.3Å; N24-H188 PolarHBondContact N-NE2 3.14Å
25E96.2Very high95.7Very high129 Ų12960.4 Ų60.460%0.60331%0.307SS*.Hα-helixtrans-58.7-40.9179-74.3173.7-166.100111.7S21 F22 V28 H29S21-E25 WeakPolarHBondContact O-CG 3.5Å; S21-E25 PolarHBondContact O-N 3.18Å; F22-E25 PolarHBondContact O-N 3.36Å; E25-V28 PolarHBondContact O-N 2.88Å; E25-H29 WeakPolarHBondContact O-CB 3.32Å; E25-H29 PolarHBondContact O-N 3.27Å
26F96.6Very high95.6Very high55 Ų5559.8 Ų59.824%0.24131%0.306CS..Hα-helixtrans-63.5-46177.9-174.5-92.9000112V12 F22 G23 N24 H29 L30 F52V12-F26 HydrophobicContact CG1-CD1 3.95Å; V12-F26 HydrophobicContact CG1-CE1 4.02Å; V12-F26 HydrophobicContact CG2-CE1 3.95Å; V12-F26 HydrophobicContact CG2-CZ 3.98Å; F22-F26 HydrophobicContact CE1-CB 4.46Å; F22-F26 HydrophobicContact CZ-CB 4.35Å; F22-F26 HydrophobicContact CZ-CD2 4.09Å; F22-F26 HydrophobicContact CZ-CG 4.41Å; F22-F26 VanDerWaalsContact O-CB 3.24Å; F22-F26 WeakPolarHBondContact O-CB 3.33Å; F22-F26 PolarHBondContact O-N 3.41Å; G23-F26 PolarHBondContact O-N 3.17Å; N24-F26 VanDerWaalsContact C-N 3.27Å; N24-F26 PolarHBondContact O-N 3.33Å; F26-H29 PolarHBondContact O-N 2.86Å; F26-L30 HydrophobicContact CE1-CD2 4.31Å; F26-L30 WeakPolarHBondContact O-CB 3.29Å; F26-L30 PolarHBondContact O-N 3.13Å; F26-F52 AromaticContact CE1-CE1 3.79Å; F26-F52 HydrophobicContact CE1-CE1 3.79Å; F26-F52 HydrophobicContact CE1-CZ 4.46Å; F26-F52 AromaticContact CZ-CE1 3.83Å; F26-F52 HydrophobicContact CZ-CE1 3.83Å; F26-F52 HydrophobicContact CZ-CZ 4.41Å
27I96.1Very high95.4Very high6 Ų660.3 Ų60.33%0.03131%0.309CS..Hα-helixtrans-64.5-43.9178.6-69.2159.9000111G23 N24 H29 L30 L31 L53 L56 I62 H188 V190G23-I27 WeakPolarHBondContact O-CD1 3.38Å; G23-I27 VanDerWaalsContact O-CG1 3.28Å; G23-I27 WeakPolarHBondContact O-CG1 3.19Å; G23-I27 PolarHBondContact O-N 3.32Å; N24-I27 PolarHBondContact O-N 3.34Å; I27-H29 VanDerWaalsContact C-N 3.34Å; I27-H29 PolarHBondContact O-N 3.45Å; I27-L30 PolarHBondContact O-N 2.79Å; I27-L31 HydrophobicContact CG2-CD1 4Å; I27-L31 PolarHBondContact O-N 3.33Å; I27-L53 HydrophobicContact CG2-CD1 4.25Å; I27-L56 HydrophobicContact CG1-CD1 4.19Å; I27-I62 HydrophobicContact CD1-CG2 3.58Å; I27-I62 HydrophobicContact CG1-CG2 4.12Å; I27-I62 HydrophobicContact CG2-CG2 4.39Å; I27-H188 HydrophobicContact CD1-CB 3.71Å; I27-V190 HydrophobicContact CG2-CG2 4.02Å
28V95.1Very high95.2Very high85 Ų8558 Ų5852%0.51530%0.297SS..Hα-helixtrans-60.7-44.5176.6171.10000110.9N24 E25 L31 S32N24-V28 WeakPolarHBondContact O-CG2 3.41Å; N24-V28 PolarHBondContact O-N 3.03Å; E25-V28 PolarHBondContact O-N 2.88Å; V28-L31 PolarHBondContact O-N 3.09Å; V28-S32 PolarHBondContact O-N 3.32Å
29H96.1Very high94.9Very high124 Ų12455.7 Ų55.757%0.57429%0.287SS*.Hα-helixtrans-63.5-41.6176.6-17865.5000112.1E25 F26 I27 S32 T33E25-H29 WeakPolarHBondContact O-CB 3.32Å; E25-H29 PolarHBondContact O-N 3.27Å; F26-H29 PolarHBondContact O-N 2.86Å; I27-H29 VanDerWaalsContact C-N 3.34Å; I27-H29 PolarHBondContact O-N 3.45Å; H29-S32 PolarHBondContact O-N 3.33Å; H29-T33 WeakPolarHBondContact O-CB 3.35Å; H29-T33 PolarHBondContact O-N 3.21Å; H29-T33 PolarHBondContact O-OG1 3.2Å
30L95.8Very high94.5Very high18 Ų1858.4 Ų58.49%0.09430%0.295CS..Hα-helixtrans-64.5-41.5179.5-168.363.6000111.7F26 I27 T33 L34 I49 F52 L53F26-L30 HydrophobicContact CE1-CD2 4.31Å; F26-L30 WeakPolarHBondContact O-CB 3.29Å; F26-L30 PolarHBondContact O-N 3.13Å; I27-L30 PolarHBondContact O-N 2.79Å; L30-T33 PolarHBondContact O-N 3.13Å; L30-L34 WeakPolarHBondContact O-CB 3.24Å; L30-L34 PolarHBondContact O-N 3.03Å; L30-I49 HydrophobicContact CD1-CG1 4.41Å; L30-I49 HydrophobicContact CD1-CG2 3.63Å; L30-I49 HydrophobicContact CG-CG2 3.83Å; L30-F52 HydrophobicContact CD1-CD1 4.35Å; L30-F52 HydrophobicContact CD2-CD1 3.71Å; L30-F52 HydrophobicContact CD2-CE1 4.15Å; L30-L53 HydrophobicContact CD2-CB 3.76Å; L30-L53 HydrophobicContact CD2-CD1 3.92Å; L30-L53 HydrophobicContact CD2-CG 4.4Å; L30-L53 HydrophobicContact CG-CB 4.45Å
31L95.6Very high94.1Very high27 Ų2754.7 Ų54.714%0.14128%0.284CS..Hα-helixtrans-63.9-43.6174-78.9162.1000112.5I27 V28 T33 L34 C35 L53 V190 F193I27-L31 HydrophobicContact CG2-CD1 4Å; I27-L31 PolarHBondContact O-N 3.33Å; V28-L31 PolarHBondContact O-N 3.09Å; L31-T33 VanDerWaalsContact C-N 3.3Å; L31-T33 PolarHBondContact O-N 3.07Å; L31-L34 WeakPolarHBondContact O-CB 3.49Å; L31-L34 PolarHBondContact O-N 3.45Å; L31-C35 PolarHBondContact O-N 3.43Å; L31-C35 PolarHBondContact O-SG 3.3Å; L31-C35 VanDerWaalsContact O-SG 3.41Å; L31-L53 HydrophobicContact CD2-CD2 3.55Å; L31-L53 HydrophobicContact CG-CD2 4.04Å; L31-V190 HydrophobicContact CD1-CB 4.49Å; L31-V190 HydrophobicContact CD1-CG1 3.47Å; L31-V190 VanDerWaalsContact CD1-CG1 3.47Å; L31-V190 HydrophobicContact CD1-CG2 4.37Å; L31-V190 HydrophobicContact CD2-CG1 4.14Å; L31-V190 HydrophobicContact CG-CG1 4.43Å; L31-F193 HydrophobicContact CD2-CD2 3.86Å; L31-F193 HydrophobicContact CD2-CE2 4.34Å; L31-F193 HydrophobicContact CD2-CG 4.36Å
32S95.1Very high93.8Very high61 Ų6156.3 Ų56.343%0.42729%0.285SS..Hα-helixtrans-59.6-44.6174.5-171.60000110.9V28 H29 L34 C35 D36V28-S32 PolarHBondContact O-N 3.32Å; H29-S32 PolarHBondContact O-N 3.33Å; S32-L34 PolarHBondContact O-N 3.22Å; S32-C35 PolarHBondContact O-N 3.27Å; S32-D36 PolarHBondContact O-N 3.26Å
33T96.5Very high93.4Very high41 Ų4154.1 Ų54.125%0.25228%0.275SS..Hα-helixtrans-64.2-41.3178.7-52.30000111.2H29 L30 L31 D36 C37 I49H29-T33 WeakPolarHBondContact O-CB 3.35Å; H29-T33 PolarHBondContact O-N 3.21Å; H29-T33 PolarHBondContact O-OG1 3.2Å; L30-T33 PolarHBondContact O-N 3.13Å; L31-T33 VanDerWaalsContact C-N 3.3Å; L31-T33 PolarHBondContact O-N 3.07Å; T33-D36 PolarHBondContact O-N 3.27Å; T33-C37 WeakPolarHBondContact O-CB 3.35Å; T33-C37 PolarHBondContact O-N 2.93Å; T33-C37 PolarHBondContact O-SG 3.47Å; T33-C37 VanDerWaalsContact O-SG 3.39Å; T33-I49 HydrophobicContact CG2-CD1 3.78Å
34L95.8Very high93.1Very high0 Ų058.6 Ų58.60%030%0.295CS..Hα-helixtrans-58.4-49.3174.2178.355.3000111.4L30 L31 S32 D36 C37 L38 A46 I49 T50 L53 F193L30-L34 WeakPolarHBondContact O-CB 3.24Å; L30-L34 PolarHBondContact O-N 3.03Å; L31-L34 WeakPolarHBondContact O-CB 3.49Å; L31-L34 PolarHBondContact O-N 3.45Å; S32-L34 PolarHBondContact O-N 3.22Å; L34-D36 VanDerWaalsContact C-N 3.3Å; L34-D36 PolarHBondContact O-N 3.14Å; L34-C37 PolarHBondContact O-N 2.95Å; L34-L38 HydrophobicContact CD1-CD1 3.86Å; L34-L38 HydrophobicContact CD1-CG 4.06Å; L34-L38 HydrophobicContact CG-CD1 3.88Å; L34-L38 HydrophobicContact CG-CG 4.5Å; L34-L38 WeakPolarHBondContact O-CB 3.31Å; L34-L38 VanDerWaalsContact O-CG 3.3Å; L34-L38 WeakPolarHBondContact O-CG 3.49Å; L34-L38 PolarHBondContact O-N 3.3Å; L34-A46 HydrophobicContact CD1-CB 3.94Å; L34-A46 WeakPolarHBondContact CD1-O 3.36Å; L34-I49 HydrophobicContact CB-CG2 3.72Å; L34-I49 HydrophobicContact CD1-CB 4.3Å; L34-I49 HydrophobicContact CD1-CG2 4.14Å; L34-I49 HydrophobicContact CG-CG2 4.35Å; L34-T50 WeakPolarHBondContact CD1-OG1 3.45Å; L34-L53 HydrophobicContact CD2-CD2 4.36Å; L34-F193 HydrophobicContact CD2-CE2 3.98Å; L34-F193 HydrophobicContact CD2-CZ 3.7Å; L34-F193 HydrophobicContact CG-CE2 4.42Å; L34-F193 HydrophobicContact CG-CZ 4.28Å
35C94.1Very high92.9Very high29 Ų2959.1 Ų59.120%0.19630%0.298CS..Hα-helixtrans-59.2-41.2177.6-74.60000112L31 S32 L38 K39 P196L31-C35 PolarHBondContact O-N 3.43Å; L31-C35 PolarHBondContact O-SG 3.3Å; L31-C35 VanDerWaalsContact O-SG 3.41Å; S32-C35 PolarHBondContact O-N 3.27Å; C35-L38 PolarHBondContact O-N 2.93Å; C35-K39 WeakPolarHBondContact O-CB 3.23Å; C35-K39 VanDerWaalsContact O-CG 3.25Å; C35-K39 WeakPolarHBondContact O-CG 3.45Å; C35-K39 PolarHBondContact O-N 3.4Å; C35-P196 HydrophobicContact CB-CG 4.22Å
36D93.3Very high92.8Very high68 Ų6853 Ų5336%0.36427%0.27SS..Hα-helixtrans-67.2-43.2177.8-71.1-18.9000111.9S32 T33 L34 K39 K40S32-D36 PolarHBondContact O-N 3.26Å; T33-D36 PolarHBondContact O-N 3.27Å; L34-D36 VanDerWaalsContact C-N 3.3Å; L34-D36 PolarHBondContact O-N 3.14Å; D36-K39 PolarHBondContact O-N 3.45Å; D36-K40 WeakPolarHBondContact O-CB 3.35Å; D36-K40 VanDerWaalsContact O-CG 3.31Å; D36-K40 WeakPolarHBondContact O-CG 3.37Å; D36-K40 PolarHBondContact O-N 2.9Å
37C93Very high92.7Very high13 Ų1350.7 Ų50.79%0.08826%0.26CS..Hα-helixtrans-61.7-42.8175.2-73.30000111.8T33 L34 K40 T41 H42 A46T33-C37 WeakPolarHBondContact O-CB 3.35Å; T33-C37 PolarHBondContact O-N 2.93Å; T33-C37 PolarHBondContact O-SG 3.47Å; T33-C37 VanDerWaalsContact O-SG 3.39Å; L34-C37 PolarHBondContact O-N 2.95Å; C37-K40 CarbonylContact O-C 3.59Å; C37-K40 PolarHBondContact O-N 2.98Å; C37-T41 PolarHBondContact O-N 3.33Å; C37-T41 VanDerWaalsContact O-N 3.16Å; C37-H42 HydrophobicContact CB-CB 4.15Å; C37-H42 PolarHBondContact O-N 3.21Å; C37-A46 HydrophobicContact CB-CB 3.86Å
38L91.3Very high92.6Very high3 Ų352.3 Ų52.32%0.01627%0.268CS..Hα-helixtrans-64.9-41.4177.8-71.8169000112.2L34 C35 T41 W43 A46 F93 F193 V195 P196L34-L38 HydrophobicContact CD1-CD1 3.86Å; L34-L38 HydrophobicContact CD1-CG 4.06Å; L34-L38 HydrophobicContact CG-CD1 3.88Å; L34-L38 HydrophobicContact CG-CG 4.5Å; L34-L38 WeakPolarHBondContact O-CB 3.31Å; L34-L38 VanDerWaalsContact O-CG 3.3Å; L34-L38 WeakPolarHBondContact O-CG 3.49Å; L34-L38 PolarHBondContact O-N 3.3Å; C35-L38 PolarHBondContact O-N 2.93Å; L38-T41 PolarHBondContact O-N 3.17Å; L38-W43 HydrophobicContact CD2-CE3 4.21Å; L38-W43 HydrophobicContact CD2-CZ3 3.92Å; L38-A46 HydrophobicContact CD2-CB 3.72Å; L38-A46 HydrophobicContact CG-CB 3.95Å; L38-F93 HydrophobicContact CD2-CE1 4.09Å; L38-F93 HydrophobicContact CD2-CZ 4.36Å; L38-F193 HydrophobicContact CD1-CZ 4.28Å; L38-V195 HydrophobicContact CD1-CG1 4.43Å; L38-P196 HydrophobicContact CB-CG 4.07Å; L38-P196 HydrophobicContact CD1-CG 4.35Å
39K88.6Confident92.6Very high137 Ų13749.2 Ų49.260%0.59625%0.248SC*.Hα-helixtrans-66.8-36.8176.3-73.4170.8-175.9175.30112.7C35 D36 T41 P196C35-K39 WeakPolarHBondContact O-CB 3.23Å; C35-K39 VanDerWaalsContact O-CG 3.25Å; C35-K39 WeakPolarHBondContact O-CG 3.45Å; C35-K39 PolarHBondContact O-N 3.4Å; D36-K39 PolarHBondContact O-N 3.45Å; K39-T41 VanDerWaalsContact C-N 3.28Å; K39-T41 PolarHBondContact O-N 3Å; K39-P196 HydrophobicContact CG-CB 4.19Å; K39-P196 HydrophobicContact CG-CG 4.26Å
40K87Confident92.7Very high132 Ų13243.3 Ų43.357%0.57422%0.221SC*.THydrogen-bonded Turntrans-89.114.5179.6-66.2176.7179.11740113.3D36 C37 H42D36-K40 WeakPolarHBondContact O-CB 3.35Å; D36-K40 VanDerWaalsContact O-CG 3.31Å; D36-K40 WeakPolarHBondContact O-CG 3.37Å; D36-K40 PolarHBondContact O-N 2.9Å; C37-K40 CarbonylContact O-C 3.59Å; C37-K40 PolarHBondContact O-N 2.98Å; K40-H42 PolarHBondContact O-CD2 3.05Å; K40-H42 PolarHBondContact O-N 3.17Å
41T87.9Confident92.7Very high31 Ų3142.7 Ų42.719%0.1922%0.218CC..THydrogen-bonded Turntrans54.423.9178.6630000114.6C37 L38 K39 W43 F199 E203C37-T41 PolarHBondContact O-N 3.33Å; C37-T41 VanDerWaalsContact O-N 3.16Å; L38-T41 PolarHBondContact O-N 3.17Å; K39-T41 VanDerWaalsContact C-N 3.28Å; K39-T41 PolarHBondContact O-N 3Å; T41-W43 HydrophobicContact CG2-CH2 4.18Å; T41-W43 HydrophobicContact CG2-CZ2 3.54Å; T41-W43 PolarHBondContact O-N 3.2Å; T41-W43 PolarHBondContact O-NE1 2.98Å; T41-F199 HydrophobicContact CG2-CB 3.63Å; T41-F199 HydrophobicContact CG2-CG 4.42Å; T41-E203 WeakPolarHBondContact CB-OE2 3.12Å; T41-E203 PolarHBondContact OG1-OE2 3.45Å
42H89.2Confident92.7Very high95 Ų9542.9 Ų42.944%0.4422%0.218SC..  trans-81.568.7174.6-69.6-170.3000110.1C37 K40 E44 D45 A46C37-H42 HydrophobicContact CB-CB 4.15Å; C37-H42 PolarHBondContact O-N 3.21Å; K40-H42 PolarHBondContact O-CD2 3.05Å; K40-H42 PolarHBondContact O-N 3.17Å; H42-E44 PolarHBondContact O-N 3.37Å; H42-D45 HydrophobicContact CB-CB 4.38Å; H42-D45 PolarHBondContact O-N 2.97Å; H42-A46 WeakPolarHBondContact O-CB 3.38Å; H42-A46 PolarHBondContact O-N 3.06Å
43W88.5Confident92.8Very high9 Ų940 Ų403%0.03420%0.197CC..Hα-helixtrans-64.6-38.2-166.5-53.6111.3000114.8L38 T41 Q47 L89 F93 F199 E203 P205 F206L38-W43 HydrophobicContact CD2-CE3 4.21Å; L38-W43 HydrophobicContact CD2-CZ3 3.92Å; T41-W43 HydrophobicContact CG2-CH2 4.18Å; T41-W43 HydrophobicContact CG2-CZ2 3.54Å; T41-W43 PolarHBondContact O-N 3.2Å; T41-W43 PolarHBondContact O-NE1 2.98Å; W43-Q47 VanDerWaalsContact O-CB 3.31Å; W43-Q47 WeakPolarHBondContact O-CB 3.23Å; W43-Q47 PolarHBondContact O-N 2.8Å; W43-L89 HydrophobicContact CB-CD1 4.49Å; W43-L89 HydrophobicContact CD2-CD1 4.44Å; W43-L89 HydrophobicContact CD2-CD2 3.85Å; W43-L89 HydrophobicContact CE3-CD1 4.46Å; W43-L89 HydrophobicContact CE3-CD2 3.53Å; W43-L89 HydrophobicContact CE3-CG 4.5Å; W43-L89 HydrophobicContact CG-CD1 4.49Å; W43-L89 HydrophobicContact CH2-CD2 4.02Å; W43-L89 HydrophobicContact CZ2-CD2 4.27Å; W43-L89 HydrophobicContact CZ3-CD2 3.63Å; W43-F93 WeakPolarHBondContact O-CZ 3.34Å; W43-F199 HydrophobicContact CH2-CB 4.27Å; W43-F199 AromaticContact CH2-CD1 3.18Å; W43-F199 HydrophobicContact CH2-CD1 3.18Å; W43-F199 AromaticContact CH2-CE1 3.45Å; W43-F199 HydrophobicContact CH2-CE1 3.45Å; W43-F199 VanDerWaalsContact CH2-CE1 3.45Å; W43-F199 AromaticContact CH2-CG 3.8Å; W43-F199 HydrophobicContact CH2-CG 3.8Å; W43-F199 HydrophobicContact CH2-CZ 4.27Å; W43-F199 HydrophobicContact CZ2-CB 3.95Å; W43-F199 AromaticContact CZ2-CD1 3.28Å; W43-F199 HydrophobicContact CZ2-CD1 3.28Å; W43-F199 AromaticContact CZ2-CD2 3.82Å; W43-F199 HydrophobicContact CZ2-CD2 3.82Å; W43-F199 AromaticContact CZ2-CE1 3.54Å; W43-F199 HydrophobicContact CZ2-CE1 3.54Å; W43-F199 HydrophobicContact CZ2-CE2 4.07Å; W43-F199 AromaticContact CZ2-CG 3.42Å; W43-F199 HydrophobicContact CZ2-CG 3.42Å; W43-F199 VanDerWaalsContact CZ2-CG 3.42Å; W43-F199 AromaticContact CZ2-CZ 3.93Å; W43-F199 HydrophobicContact CZ2-CZ 3.93Å; W43-F199 HydrophobicContact CZ3-CD1 4.36Å; W43-F199 HydrophobicContact CZ3-CE1 4.35Å; W43-E203 PolarHBondContact NE1-O 3.07Å; W43-P205 HydrophobicContact CB-CG 3.91Å; W43-P205 HydrophobicContact CG-CG 3.7Å; W43-F206 HydrophobicContact CB-CE2 3.75Å; W43-F206 HydrophobicContact CB-CZ 4.34Å
44E88.1Confident92.8Very high95 Ų9538 Ų3844%0.44419%0.185SC..Hα-helixtrans-64.7-46.6178.7-68.5-178174.800111H42 Q47 I48 F206H42-E44 PolarHBondContact O-N 3.37Å; E44-Q47 PolarHBondContact O-N 3.47Å; E44-I48 WeakPolarHBondContact O-CD1 3.19Å; E44-I48 VanDerWaalsContact O-CG1 3.3Å; E44-I48 WeakPolarHBondContact O-CG1 3.37Å; E44-I48 PolarHBondContact O-N 2.66Å; E44-F206 HydrophobicContact CG-CE1 4.44Å; E44-F206 HydrophobicContact CG-CZ 3.88Å
45D91.5Very high92.9Very high84 Ų8438.1 Ų38.145%0.44919%0.186SC..Hα-helixtrans-64-45.8177-68.6-34.4000111H42 Q47 I48 I49H42-D45 HydrophobicContact CB-CB 4.38Å; H42-D45 PolarHBondContact O-N 2.97Å; D45-Q47 VanDerWaalsContact C-N 3.31Å; D45-Q47 PolarHBondContact O-N 3.44Å; D45-I48 PolarHBondContact O-N 3.46Å; D45-I49 WeakPolarHBondContact O-CB 3.18Å; D45-I49 WeakPolarHBondContact O-CD1 3.33Å; D45-I49 WeakPolarHBondContact O-CG1 3.49Å; D45-I49 PolarHBondContact O-N 3.45Å
46A93.6Very high93Very high0 Ų036.7 Ų36.70%018%0.176CC..Hα-helixtrans-56.9-45.4176.200000111.3L34 C37 L38 H42 I49 T50 F93L34-A46 HydrophobicContact CD1-CB 3.94Å; L34-A46 WeakPolarHBondContact CD1-O 3.36Å; C37-A46 HydrophobicContact CB-CB 3.86Å; L38-A46 HydrophobicContact CD2-CB 3.72Å; L38-A46 HydrophobicContact CG-CB 3.95Å; H42-A46 WeakPolarHBondContact O-CB 3.38Å; H42-A46 PolarHBondContact O-N 3.06Å; A46-I49 PolarHBondContact O-N 3.4Å; A46-T50 PolarHBondContact O-N 3.22Å; A46-T50 PolarHBondContact O-OG1 2.77Å; A46-F93 HydrophobicContact CB-CE1 3.88Å; A46-F93 HydrophobicContact CB-CZ 3.94Å
47Q93.7Very high93.1Very high7 Ų733.6 Ų33.63%0.03316%0.16CC..Hα-helixtrans-62.2-46.2178.1-177.7178.99800111.9W43 E44 D45 I49 T50 I51 F93W43-Q47 VanDerWaalsContact O-CB 3.31Å; W43-Q47 WeakPolarHBondContact O-CB 3.23Å; W43-Q47 PolarHBondContact O-N 2.8Å; E44-Q47 PolarHBondContact O-N 3.47Å; D45-Q47 VanDerWaalsContact C-N 3.31Å; D45-Q47 PolarHBondContact O-N 3.44Å; Q47-I49 VanDerWaalsContact C-N 3.29Å; Q47-I49 PolarHBondContact O-N 3.46Å; Q47-T50 PolarHBondContact O-N 3.16Å; Q47-I51 HydrophobicContact CG-CD1 4.08Å; Q47-I51 VanDerWaalsContact O-CG1 3.26Å; Q47-I51 WeakPolarHBondContact O-CG1 3.43Å; Q47-I51 PolarHBondContact O-N 2.96Å; Q47-F93 VanDerWaalsContact CA-CE1 3.48Å; Q47-F93 HydrophobicContact CB-CD1 4.38Å; Q47-F93 HydrophobicContact CB-CD2 4.22Å; Q47-F93 HydrophobicContact CB-CE1 3.99Å; Q47-F93 HydrophobicContact CB-CE2 3.79Å; Q47-F93 HydrophobicContact CB-CZ 3.67Å; Q47-F93 HydrophobicContact CG-CD2 4.27Å; Q47-F93 HydrophobicContact CG-CE2 4.31Å; Q47-F93 HydrophobicContact CG-CG 4.49Å
48I94.4Very high93.2Very high39 Ų3933.7 Ų33.720%0.216%0.159CC..Hα-helixtrans-60.1-43177.2-69.7160000110.4P2 M5 E44 D45 I51 F52 W243P2-I48 HydrophobicContact CB-CD1 4.39Å; P2-I48 HydrophobicContact CB-CG1 4.16Å; P2-I48 HydrophobicContact CB-CG2 4.12Å; P2-I48 HydrophobicContact CG-CD1 3.52Å; P2-I48 HydrophobicContact CG-CG1 3.81Å; P2-I48 HydrophobicContact CG-CG2 3.9Å; M5-I48 HydrophobicContact CE-CG2 4.45Å; E44-I48 WeakPolarHBondContact O-CD1 3.19Å; E44-I48 VanDerWaalsContact O-CG1 3.3Å; E44-I48 WeakPolarHBondContact O-CG1 3.37Å; E44-I48 PolarHBondContact O-N 2.66Å; D45-I48 PolarHBondContact O-N 3.46Å; I48-I51 PolarHBondContact O-N 3.29Å; I48-F52 VanDerWaalsContact O-CB 3.31Å; I48-F52 WeakPolarHBondContact O-CB 3.46Å; I48-F52 PolarHBondContact O-N 3.44Å; I48-W243 HydrophobicContact CG1-CZ2 4.26Å
49I96.1Very high93.4Very high21 Ų2133.6 Ų33.611%0.10816%0.159CC..Hα-helixtrans-64.7-43.3178.2-68.9164.7000110.8L30 T33 L34 D45 A46 Q47 F52 L53L30-I49 HydrophobicContact CD1-CG1 4.41Å; L30-I49 HydrophobicContact CD1-CG2 3.63Å; L30-I49 HydrophobicContact CG-CG2 3.83Å; T33-I49 HydrophobicContact CG2-CD1 3.78Å; L34-I49 HydrophobicContact CB-CG2 3.72Å; L34-I49 HydrophobicContact CD1-CB 4.3Å; L34-I49 HydrophobicContact CD1-CG2 4.14Å; L34-I49 HydrophobicContact CG-CG2 4.35Å; D45-I49 WeakPolarHBondContact O-CB 3.18Å; D45-I49 WeakPolarHBondContact O-CD1 3.33Å; D45-I49 WeakPolarHBondContact O-CG1 3.49Å; D45-I49 PolarHBondContact O-N 3.45Å; A46-I49 PolarHBondContact O-N 3.4Å; Q47-I49 VanDerWaalsContact C-N 3.29Å; Q47-I49 PolarHBondContact O-N 3.46Å; I49-F52 PolarHBondContact O-N 3.2Å; I49-L53 VanDerWaalsContact O-CB 3.26Å; I49-L53 WeakPolarHBondContact O-CB 3.33Å; I49-L53 PolarHBondContact O-N 3.09Å
50T96.4Very high93.6Very high0 Ų030.2 Ų30.20%015%0.145CC..Hα-helixtrans-59.2-49.9176.4-59.90000111.3L34 A46 Q47 F52 L53 C54 Y74 F93L34-T50 WeakPolarHBondContact CD1-OG1 3.45Å; A46-T50 PolarHBondContact O-N 3.22Å; A46-T50 PolarHBondContact O-OG1 2.77Å; Q47-T50 PolarHBondContact O-N 3.16Å; T50-F52 VanDerWaalsContact C-N 3.3Å; T50-F52 PolarHBondContact O-N 3.32Å; T50-L53 PolarHBondContact O-N 3.42Å; T50-C54 WeakPolarHBondContact O-CB 3.34Å; T50-C54 PolarHBondContact O-N 3.28Å; T50-C54 PolarHBondContact O-SG 3.06Å; T50-C54 VanDerWaalsContact O-SG 3.4Å; T50-Y74 HydrophobicContact CG2-CE2 3.68Å; T50-Y74 PolarHBondContact OG1-OH 3.45Å; T50-F93 HydrophobicContact CG2-CD1 4.33Å
51I96.2Very high94Very high5 Ų524 Ų243%0.02612%0.118CC..Hα-helixtrans-61.6-43.7179.3-56.7163.4000109.5M5 Q47 I48 C54 S55 R96 I100M5-I51 HydrophobicContact CE-CB 4.14Å; M5-I51 HydrophobicContact CE-CG2 4.03Å; M5-I51 HydrophobicContact SD-CB 3.88Å; M5-I51 HydrophobicContact SD-CG2 3.28Å; M5-I51 WeakPolarHBondContact SD-CG2 3.3Å; Q47-I51 HydrophobicContact CG-CD1 4.08Å; Q47-I51 VanDerWaalsContact O-CG1 3.26Å; Q47-I51 WeakPolarHBondContact O-CG1 3.43Å; Q47-I51 PolarHBondContact O-N 2.96Å; I48-I51 PolarHBondContact O-N 3.29Å; I51-C54 PolarHBondContact O-N 2.96Å; I51-S55 WeakPolarHBondContact O-CB 3.26Å; I51-S55 PolarHBondContact O-N 3.18Å; I51-R96 HydrophobicContact CD1-CB 4.02Å; I51-I100 HydrophobicContact CG2-CB 4.37Å; I51-I100 HydrophobicContact CG2-CG1 3.72Å
52F97Very high94.4Very high31 Ų3122.7 Ų22.714%0.13611%0.11CC..Hα-helixtrans-64.9-46.8179.8-176.7-110.9000112.6M5 F8 V12 F26 L30 I48 I49 T50 C54 S55 L56M5-F52 HydrophobicContact CE-CB 4.46Å; M5-F52 HydrophobicContact CG-CD2 3.89Å; M5-F52 HydrophobicContact SD-CB 4.37Å; F8-F52 HydrophobicContact CB-CE2 3.72Å; F8-F52 HydrophobicContact CB-CZ 4.16Å; V12-F52 HydrophobicContact CG2-CZ 4.12Å; F26-F52 AromaticContact CE1-CE1 3.79Å; F26-F52 HydrophobicContact CE1-CE1 3.79Å; F26-F52 HydrophobicContact CE1-CZ 4.46Å; F26-F52 AromaticContact CZ-CE1 3.83Å; F26-F52 HydrophobicContact CZ-CE1 3.83Å; F26-F52 HydrophobicContact CZ-CZ 4.41Å; L30-F52 HydrophobicContact CD1-CD1 4.35Å; L30-F52 HydrophobicContact CD2-CD1 3.71Å; L30-F52 HydrophobicContact CD2-CE1 4.15Å; I48-F52 VanDerWaalsContact O-CB 3.31Å; I48-F52 WeakPolarHBondContact O-CB 3.46Å; I48-F52 PolarHBondContact O-N 3.44Å; I49-F52 PolarHBondContact O-N 3.2Å; T50-F52 VanDerWaalsContact C-N 3.3Å; T50-F52 PolarHBondContact O-N 3.32Å; F52-C54 PolarHBondContact O-N 3.13Å; F52-S55 WeakPolarHBondContact O-CB 3.02Å; F52-S55 PolarHBondContact O-N 3.01Å; F52-S55 VanDerWaalsContact O-N 3.16Å; F52-S55 PolarHBondContact O-OG 3.2Å; F52-L56 HydrophobicContact CZ-CD2 4.47Å; F52-L56 PolarHBondContact O-N 3.12Å
53L96.8Very high94.8Very high0 Ų019.7 Ų19.70%010%0.099CC..Hα-helixtrans-56.7-50.4176.7174.562.3000110.5I27 L30 L31 L34 I49 T50 S55 L56 I62 I70I27-L53 HydrophobicContact CG2-CD1 4.25Å; L30-L53 HydrophobicContact CD2-CB 3.76Å; L30-L53 HydrophobicContact CD2-CD1 3.92Å; L30-L53 HydrophobicContact CD2-CG 4.4Å; L30-L53 HydrophobicContact CG-CB 4.45Å; L31-L53 HydrophobicContact CD2-CD2 3.55Å; L31-L53 HydrophobicContact CG-CD2 4.04Å; L34-L53 HydrophobicContact CD2-CD2 4.36Å; I49-L53 VanDerWaalsContact O-CB 3.26Å; I49-L53 WeakPolarHBondContact O-CB 3.33Å; I49-L53 PolarHBondContact O-N 3.09Å; T50-L53 PolarHBondContact O-N 3.42Å; L53-S55 VanDerWaalsContact C-N 3.31Å; L53-S55 PolarHBondContact O-N 3.46Å; L53-L56 VanDerWaalsContact O-CB 3.28Å; L53-L56 WeakPolarHBondContact O-CB 3.41Å; L53-L56 PolarHBondContact O-N 3.28Å; L53-I62 VanDerWaalsContact O-CD1 3.28Å; L53-I62 WeakPolarHBondContact O-CD1 3.25Å; L53-I70 HydrophobicContact CD2-CD1 3.71Å; L53-I70 HydrophobicContact CG-CD1 4.09Å
54C97.1Very high95.2Very high0 Ų019.7 Ų19.70%010%0.1CC..Hα-helixtrans-64.3-35.7178.2-68.80000111.8T50 I51 F52 L56 V57 T97 V101T50-C54 WeakPolarHBondContact O-CB 3.34Å; T50-C54 PolarHBondContact O-N 3.28Å; T50-C54 PolarHBondContact O-SG 3.06Å; T50-C54 VanDerWaalsContact O-SG 3.4Å; I51-C54 PolarHBondContact O-N 2.96Å; F52-C54 PolarHBondContact O-N 3.13Å; C54-L56 PolarHBondContact O-N 3.12Å; C54-V57 WeakPolarHBondContact O-CB 3.45Å; C54-V57 WeakPolarHBondContact O-CG1 3.45Å; C54-V57 PolarHBondContact O-N 2.71Å; C54-T97 HydrophobicContact CB-CG2 3.46Å; C54-T97 VanDerWaalsContact CB-CG2 3.46Å; C54-V101 HydrophobicContact CB-CG1 3.94Å; C54-V101 WeakPolarHBondContact O-CG1 3.44Å
55S96Very high95.6Very high1 Ų120.8 Ų20.81%0.00711%0.105CC..Hα-helixtrans-60.4-19.8178.280.90000114.4S9 I51 F52 L53 V57 N58 I100S9-S55 WeakPolarHBondContact CB-OG 3.19Å; I51-S55 WeakPolarHBondContact O-CB 3.26Å; I51-S55 PolarHBondContact O-N 3.18Å; F52-S55 WeakPolarHBondContact O-CB 3.02Å; F52-S55 PolarHBondContact O-N 3.01Å; F52-S55 VanDerWaalsContact O-N 3.16Å; F52-S55 PolarHBondContact O-OG 3.2Å; L53-S55 VanDerWaalsContact C-N 3.31Å; L53-S55 PolarHBondContact O-N 3.46Å; S55-V57 PolarHBondContact O-N 3.34Å; S55-N58 PolarHBondContact O-N 2.97Å; S55-I100 VanDerWaalsContact CB-CG2 3.49Å
56L96.4Very high95.9Very high0 Ų017 Ų170%09%0.085CC..G310 helixtrans-66.4-16.5176.1-64.8-177.7000113V12 I27 F52 L53 C54 N58 C59 H60 S61 I62V12-L56 HydrophobicContact CB-CD2 3.95Å; V12-L56 HydrophobicContact CG1-CD1 4.44Å; V12-L56 HydrophobicContact CG1-CD2 3.76Å; I27-L56 HydrophobicContact CG1-CD1 4.19Å; F52-L56 HydrophobicContact CZ-CD2 4.47Å; F52-L56 PolarHBondContact O-N 3.12Å; L53-L56 VanDerWaalsContact O-CB 3.28Å; L53-L56 WeakPolarHBondContact O-CB 3.41Å; L53-L56 PolarHBondContact O-N 3.28Å; C54-L56 PolarHBondContact O-N 3.12Å; L56-N58 VanDerWaalsContact C-N 3.32Å; L56-C59 PolarHBondContact O-N 2.88Å; L56-H60 PolarHBondContact O-N 2.67Å; L56-S61 PolarHBondContact O-N 3.48Å; L56-S61 VanDerWaalsContact O-N 3.08Å; L56-I62 HydrophobicContact CB-CD1 4.48Å; L56-I62 HydrophobicContact CB-CG1 4.06Å; L56-I62 HydrophobicContact CB-CG2 4.44Å
57V96.6Very high96.1Very high2 Ų217 Ų171%0.0129%0.085CC..G310 helixtrans-62.8-41173.676.70000111.2C54 S55 C59 H60 I62 S64 C67 V101 Q104C54-V57 WeakPolarHBondContact O-CB 3.45Å; C54-V57 WeakPolarHBondContact O-CG1 3.45Å; C54-V57 PolarHBondContact O-N 2.71Å; S55-V57 PolarHBondContact O-N 3.34Å; V57-C59 PolarHBondContact O-N 3.45Å; V57-H60 PolarHBondContact O-N 3.08Å; V57-I62 HydrophobicContact CB-CD1 4.27Å; V57-I62 HydrophobicContact CB-CG1 3.92Å; V57-S64 VanDerWaalsContact CG2-OG 3.29Å; V57-S64 WeakPolarHBondContact CG2-OG 3.45Å; V57-C67 HydrophobicContact CB-CB 4.13Å; V57-C67 HydrophobicContact CG1-CB 4.47Å; V57-C67 HydrophobicContact CG2-CB 4.11Å; V57-V101 HydrophobicContact CG1-CB 4.07Å; V57-V101 HydrophobicContact CG1-CG1 3.83Å; V57-Q104 HydrophobicContact CG1-CB 4.33Å; V57-Q104 HydrophobicContact CG1-CG 4.2Å; V57-Q104 HydrophobicContact CG2-CG 4.2Å
58N94.9Very high96.2Very high16 Ų1617 Ų179%0.0869%0.085CC..G310 helixtrans-64.8-16.6178.5-55.8-20.3000112.2S55 L56 I100 Q104 E175S55-N58 PolarHBondContact O-N 2.97Å; L56-N58 VanDerWaalsContact C-N 3.32Å; N58-I100 PolarHBondContact ND2-O 3.18Å; N58-Q104 VanDerWaalsContact OD1-CB 3.25Å; N58-Q104 WeakPolarHBondContact OD1-CB 3.28Å; N58-E175 HydrophobicContact CB-CG 3.95Å
59C95.3Very high96.3Very high0 Ų017.4 Ų17.40%09%0.091CC..G310 helixtrans-106.814.1-179.7-56.30000113S9 L56 V57 S61 L182S9-C59 PolarHBondContact O-SG 2.91Å; S9-C59 VanDerWaalsContact O-SG 3.42Å; L56-C59 PolarHBondContact O-N 2.88Å; V57-C59 PolarHBondContact O-N 3.45Å; C59-S61 PolarHBondContact O-N 2.66Å; C59-S61 VanDerWaalsContact O-N 3.13Å; C59-S61 PolarHBondContact O-OG 2.7Å; C59-L182 HydrophobicContact CB-CD1 4.36Å
60H93.7Very high96.3Very high67 Ų6716.4 Ų16.431%0.319%0.086SC..THydrogen-bonded Turntrans49.637.3-175.8-59.7-67.6000113.5L56 V57 L182 S185L56-H60 PolarHBondContact O-N 2.67Å; V57-H60 PolarHBondContact O-N 3.08Å; H60-L182 WeakPolarHBondContact CB-O 3.48Å; H60-S185 PolarHBondContact O-OG 3.13Å
61S95.1Very high96.4Very high1 Ų116.4 Ų16.41%0.0079%0.086CC..SBendtrans-101.9-30176.9-62.40000112.2G13 L56 C59 H188G13-S61 VanDerWaalsContact CA-OG 3.28Å; G13-S61 WeakPolarHBondContact CA-OG 3.29Å; L56-S61 PolarHBondContact O-N 3.48Å; L56-S61 VanDerWaalsContact O-N 3.08Å; C59-S61 PolarHBondContact O-N 2.66Å; C59-S61 VanDerWaalsContact O-N 3.13Å; C59-S61 PolarHBondContact O-OG 2.7Å; S61-H188 PolarHBondContact O-CD2 3.25Å; S61-H188 VanDerWaalsContact O-CD2 3.23Å; S61-H188 PolarHBondContact O-N 2.85Å
62I96.6Very high96.5Very high3 Ų320 Ų202%0.01510%0.102CC..BIsolated β-bridgetrans-121.6156.2164.960.1168.4000109.6I27 L53 L56 V57 C67 H188 V190I27-I62 HydrophobicContact CD1-CG2 3.58Å; I27-I62 HydrophobicContact CG1-CG2 4.12Å; I27-I62 HydrophobicContact CG2-CG2 4.39Å; L53-I62 VanDerWaalsContact O-CD1 3.28Å; L53-I62 WeakPolarHBondContact O-CD1 3.25Å; L56-I62 HydrophobicContact CB-CD1 4.48Å; L56-I62 HydrophobicContact CB-CG1 4.06Å; L56-I62 HydrophobicContact CB-CG2 4.44Å; V57-I62 HydrophobicContact CB-CD1 4.27Å; V57-I62 HydrophobicContact CB-CG1 3.92Å; I62-C67 HydrophobicContact CD1-CB 4.1Å; I62-H188 WeakPolarHBondContact CA-O 3.46Å; I62-V190 HydrophobicContact CG2-CG2 4.07Å
63T96.7Very high96.4Very high33 Ų3319.6 Ų19.620%0.20210%0.102CC..  trans-75.8156.7175.677.80000112.1E65 S66 C67 A187 H188T63-E65 VanDerWaalsContact C-N 3.29Å; T63-E65 WeakPolarHBondContact CB-OE2 3.38Å; T63-E65 PolarHBondContact O-N 3.17Å; T63-E65 PolarHBondContact OG1-OE2 2.75Å; T63-S66 WeakPolarHBondContact O-CB 3.44Å; T63-S66 PolarHBondContact O-N 2.97Å; T63-S66 VanDerWaalsContact O-N 3.14Å; T63-S66 PolarHBondContact OG1-N 3.02Å; T63-S66 VanDerWaalsContact OG1-N 3.12Å; T63-S66 PolarHBondContact OG1-OG 3.1Å; T63-C67 PolarHBondContact O-N 3.33Å; T63-A187 HydrophobicContact CG2-CB 3.94Å; T63-H188 PolarHBondContact N-O 2.96Å; T63-H188 VanDerWaalsContact N-O 3.1Å
64S96.9Very high96.4Very high9 Ų919.6 Ų19.66%0.06310%0.102CC..Hα-helixtrans-65-34.4176.3-67.90000111.7V57 S66 C67 I68 D108 M109V57-S64 VanDerWaalsContact CG2-OG 3.29Å; V57-S64 WeakPolarHBondContact CG2-OG 3.45Å; S64-S66 VanDerWaalsContact C-N 3.3Å; S64-S66 PolarHBondContact O-N 3.45Å; S64-C67 PolarHBondContact O-N 2.99Å; S64-I68 PolarHBondContact O-N 3.42Å; S64-D108 PolarHBondContact OG-OD2 3.13Å; S64-M109 VanDerWaalsContact C-CE 3.46Å; S64-M109 WeakPolarHBondContact O-CE 3.4Å
65E97Very high96.4Very high118 Ų11820.3 Ų20.355%0.55111%0.106SC*.Hα-helixtrans-61.2-39172.1-57.879.6-176.800111.7T63 I68 S69 M109T63-E65 VanDerWaalsContact C-N 3.29Å; T63-E65 WeakPolarHBondContact CB-OE2 3.38Å; T63-E65 PolarHBondContact O-N 3.17Å; T63-E65 PolarHBondContact OG1-OE2 2.75Å; E65-I68 WeakPolarHBondContact O-CG2 3.3Å; E65-S69 WeakPolarHBondContact O-CB 3.24Å; E65-S69 PolarHBondContact O-N 3.38Å; E65-M109 HydrophobicContact CG-SD 4.1Å
66S96.8Very high96.4Very high3 Ų323 Ų232%0.02113%0.125CC..Hα-helixtrans-67.4-44.5177-62.20000111.2T63 S64 S69 I70 S189 V190T63-S66 WeakPolarHBondContact O-CB 3.44Å; T63-S66 PolarHBondContact O-N 2.97Å; T63-S66 VanDerWaalsContact O-N 3.14Å; T63-S66 PolarHBondContact OG1-N 3.02Å; T63-S66 VanDerWaalsContact OG1-N 3.12Å; T63-S66 PolarHBondContact OG1-OG 3.1Å; S64-S66 VanDerWaalsContact C-N 3.3Å; S64-S66 PolarHBondContact O-N 3.45Å; S66-S69 PolarHBondContact O-N 3.03Å; S66-I70 WeakPolarHBondContact O-CG1 3.45Å; S66-I70 PolarHBondContact O-N 2.94Å; S66-S189 WeakPolarHBondContact OG-CA 3.28Å; S66-V190 PolarHBondContact OG-N 3.18Å
67C97.5Very high96.3Very high0 Ų024 Ų240%013%0.131CC..Hα-helixtrans-60.6-49.1177.1-176.10000111.6V57 I62 T63 S64 S69 I70 L71 L105V57-C67 HydrophobicContact CB-CB 4.13Å; V57-C67 HydrophobicContact CG1-CB 4.47Å; V57-C67 HydrophobicContact CG2-CB 4.11Å; I62-C67 HydrophobicContact CD1-CB 4.1Å; T63-C67 PolarHBondContact O-N 3.33Å; S64-C67 PolarHBondContact O-N 2.99Å; C67-S69 VanDerWaalsContact C-N 3.31Å; C67-S69 PolarHBondContact O-N 3.05Å; C67-I70 PolarHBondContact O-N 2.85Å; C67-L71 WeakPolarHBondContact O-CG 3.23Å; C67-L71 PolarHBondContact O-N 3.08Å; C67-L105 HydrophobicContact CB-CD2 4.23Å
68I97Very high96.3Very high9 Ų924.2 Ų24.25%0.04613%0.132CC..Hα-helixtrans-67.1-33.9178.6-158.469.5000111.5S64 E65 L71 K72 L105 M109 E112 F116S64-I68 PolarHBondContact O-N 3.42Å; E65-I68 WeakPolarHBondContact O-CG2 3.3Å; I68-L71 PolarHBondContact O-N 3.05Å; I68-K72 WeakPolarHBondContact O-CB 3.47Å; I68-K72 VanDerWaalsContact O-CG 3.31Å; I68-K72 WeakPolarHBondContact O-CG 3.36Å; I68-K72 PolarHBondContact O-N 3.27Å; I68-L105 HydrophobicContact CD1-CD1 4.22Å; I68-M109 HydrophobicContact CB-CE 3.61Å; I68-M109 HydrophobicContact CG1-CE 4.29Å; I68-M109 HydrophobicContact CG2-CE 3.44Å; I68-M109 VanDerWaalsContact CG2-CE 3.44Å; I68-M109 HydrophobicContact CG2-SD 4.36Å; I68-E112 HydrophobicContact CG1-CG 4.22Å; I68-F116 HydrophobicContact CD1-CB 4.36Å; I68-F116 HydrophobicContact CD1-CD1 4.33Å; I68-F116 HydrophobicContact CD1-CD2 4.49Å; I68-F116 HydrophobicContact CD1-CG 4.16Å
69S96.4Very high96.3Very high46 Ų4628.7 Ų28.732%0.32215%0.152SC..Hα-helixtrans-61-47.5176-174.60000111.3E65 S66 C67 L71 K72 S73E65-S69 WeakPolarHBondContact O-CB 3.24Å; E65-S69 PolarHBondContact O-N 3.38Å; S66-S69 PolarHBondContact O-N 3.03Å; C67-S69 VanDerWaalsContact C-N 3.31Å; C67-S69 PolarHBondContact O-N 3.05Å; S69-L71 VanDerWaalsContact C-N 3.34Å; S69-L71 PolarHBondContact O-N 2.87Å; S69-K72 CarbonylContact O-C 3.6Å; S69-K72 WeakPolarHBondContact O-CB 3.26Å; S69-K72 PolarHBondContact O-N 2.83Å; S69-K72 VanDerWaalsContact O-N 3.15Å; S69-S73 PolarHBondContact O-N 3.2Å; S69-S73 PolarHBondContact O-OG 2.97Å; S69-S73 VanDerWaalsContact O-OG 3.07Å
70I97.2Very high96.2Very high1 Ų135.6 Ų35.61%0.00518%0.184CC..Hα-helixtrans-57.4-46.7175.3-67.4160.1000111.1L53 S66 C67 K72 S73 Y74 V190 F193L53-I70 HydrophobicContact CD2-CD1 3.71Å; L53-I70 HydrophobicContact CG-CD1 4.09Å; S66-I70 WeakPolarHBondContact O-CG1 3.45Å; S66-I70 PolarHBondContact O-N 2.94Å; C67-I70 PolarHBondContact O-N 2.85Å; I70-K72 VanDerWaalsContact C-N 3.33Å; I70-K72 PolarHBondContact O-N 3.34Å; I70-S73 WeakPolarHBondContact O-CB 3.29Å; I70-S73 PolarHBondContact O-N 3.25Å; I70-Y74 HydrophobicContact CG2-CE2 4.08Å; I70-Y74 VanDerWaalsContact O-CD2 3.28Å; I70-Y74 WeakPolarHBondContact O-CD2 3.49Å; I70-Y74 PolarHBondContact O-N 3.07Å; I70-V190 HydrophobicContact CD1-CG1 4.27Å; I70-V190 HydrophobicContact CD1-CG2 4.32Å; I70-V190 HydrophobicContact CG1-CG1 4.47Å; I70-F193 HydrophobicContact CB-CD1 4.41Å; I70-F193 HydrophobicContact CG1-CB 4.45Å; I70-F193 HydrophobicContact CG1-CD1 4.29Å; I70-F193 HydrophobicContact CG2-CD1 4.09Å; I70-F193 HydrophobicContact CG2-CE1 4.13Å
71L97.9Very high96.1Very high0 Ų034.6 Ų34.60%018%0.181CC..Hα-helixtrans-64.8-37.2178.4-66.3179.1000112.2C67 I68 S69 S73 Y74 L75 I94 T97 V101 L105 F116C67-L71 WeakPolarHBondContact O-CG 3.23Å; C67-L71 PolarHBondContact O-N 3.08Å; I68-L71 PolarHBondContact O-N 3.05Å; S69-L71 VanDerWaalsContact C-N 3.34Å; S69-L71 PolarHBondContact O-N 2.87Å; L71-S73 VanDerWaalsContact C-N 3.3Å; L71-S73 PolarHBondContact O-N 3.32Å; L71-Y74 PolarHBondContact O-N 3.07Å; L71-L75 PolarHBondContact O-N 3.28Å; L71-I94 HydrophobicContact CD2-CG1 4.43Å; L71-T97 HydrophobicContact CD2-CG2 4.04Å; L71-V101 HydrophobicContact CD1-CG2 4.47Å; L71-L105 HydrophobicContact CD1-CD1 4.08Å; L71-F116 HydrophobicContact CB-CE1 4.31Å; L71-F116 HydrophobicContact CB-CE2 4.12Å; L71-F116 HydrophobicContact CB-CZ 3.67Å
72K97Very high95.7Very high81 Ų8139.9 Ų39.935%0.35222%0.218SC..Hα-helixtrans-65.9-30.5173.5-79.8177.6172.2-174.10112.7I68 S69 I70 Y74 L75 S76 E112 F116I68-K72 WeakPolarHBondContact O-CB 3.47Å; I68-K72 VanDerWaalsContact O-CG 3.31Å; I68-K72 WeakPolarHBondContact O-CG 3.36Å; I68-K72 PolarHBondContact O-N 3.27Å; S69-K72 CarbonylContact O-C 3.6Å; S69-K72 WeakPolarHBondContact O-CB 3.26Å; S69-K72 PolarHBondContact O-N 2.83Å; S69-K72 VanDerWaalsContact O-N 3.15Å; I70-K72 VanDerWaalsContact C-N 3.33Å; I70-K72 PolarHBondContact O-N 3.34Å; K72-Y74 VanDerWaalsContact C-N 3.31Å; K72-Y74 PolarHBondContact O-N 3.28Å; K72-L75 CarbonylContact O-C 3.39Å; K72-L75 PolarHBondContact O-N 3.28Å; K72-S76 WeakPolarHBondContact O-CB 3.38Å; K72-S76 PolarHBondContact O-N 3.07Å; K72-E112 WeakPolarHBondContact CE-OE1 3.36Å; K72-E112 IonicContact NZ-OE1 3.41Å; K72-E112 PolarHBondContact NZ-OE1 2.73Å; K72-F116 HydrophobicContact CG-CD2 4.01Å; K72-F116 HydrophobicContact CG-CE2 4.16Å
73S96.6Very high95.3Very high21 Ų2142.8 Ų42.815%0.14723%0.231CC..Hα-helixtrans-64.3-38.1173.6-55.30000111.8S69 I70 L71 S76 V77 F193S69-S73 PolarHBondContact O-N 3.2Å; S69-S73 PolarHBondContact O-OG 2.97Å; S69-S73 VanDerWaalsContact O-OG 3.07Å; I70-S73 WeakPolarHBondContact O-CB 3.29Å; I70-S73 PolarHBondContact O-N 3.25Å; L71-S73 VanDerWaalsContact C-N 3.3Å; L71-S73 PolarHBondContact O-N 3.32Å; S73-S76 PolarHBondContact O-N 2.99Å; S73-V77 PolarHBondContact O-N 3.26Å; S73-F193 VanDerWaalsContact CB-O 3.3Å; S73-F193 WeakPolarHBondContact CB-O 3.36Å; S73-F193 PolarHBondContact OG-O 3.44Å
74Y96.4Very high94.8Very high1 Ų142.3 Ų42.30%0.00423%0.23CC..Hα-helixtrans-67.4-41.8170.4-70.2-76.2000112T50 I70 L71 K72 S76 V77 I78 C90 F93 F193 V195T50-Y74 HydrophobicContact CG2-CE2 3.68Å; T50-Y74 PolarHBondContact OG1-OH 3.45Å; I70-Y74 HydrophobicContact CG2-CE2 4.08Å; I70-Y74 VanDerWaalsContact O-CD2 3.28Å; I70-Y74 WeakPolarHBondContact O-CD2 3.49Å; I70-Y74 PolarHBondContact O-N 3.07Å; L71-Y74 PolarHBondContact O-N 3.07Å; K72-Y74 VanDerWaalsContact C-N 3.31Å; K72-Y74 PolarHBondContact O-N 3.28Å; Y74-S76 VanDerWaalsContact C-N 3.29Å; Y74-S76 PolarHBondContact O-N 3.18Å; Y74-V77 WeakPolarHBondContact O-CB 3.45Å; Y74-V77 PolarHBondContact O-N 3.14Å; Y74-V77 VanDerWaalsContact O-N 3.11Å; Y74-I78 WeakPolarHBondContact O-CG1 3.21Å; Y74-I78 PolarHBondContact O-N 3.14Å; Y74-I78 VanDerWaalsContact O-N 3.1Å; Y74-C90 HydrophobicContact CD1-CB 4.15Å; Y74-F93 HydrophobicContact CD1-CB 4.34Å; Y74-F93 HydrophobicContact CD1-CD1 4.48Å; Y74-F93 HydrophobicContact CE1-CB 4.3Å; Y74-F93 AromaticContact CE1-CD1 3.66Å; Y74-F93 HydrophobicContact CE1-CD1 3.66Å; Y74-F93 HydrophobicContact CE1-CE1 4.29Å; Y74-F93 HydrophobicContact CE1-CG 4.21Å; Y74-F93 AromaticContact CZ-CD1 3.73Å; Y74-F193 HydrophobicContact CE2-CE1 4.14Å; Y74-V195 HydrophobicContact CD1-CG1 4.14Å; Y74-V195 HydrophobicContact CD1-CG2 3.61Å; Y74-V195 HydrophobicContact CD2-CG2 4.15Å; Y74-V195 HydrophobicContact CE1-CG1 3.97Å; Y74-V195 HydrophobicContact CE1-CG2 3.66Å; Y74-V195 HydrophobicContact CE2-CG2 4.19Å; Y74-V195 HydrophobicContact CG-CG2 3.86Å
75L97.3Very high94.3Very high14 Ų1442 Ų427%0.07323%0.228CC..Hα-helixtrans-61.2-37.6175.8179.263.7000112.1L71 K72 V77 I78 E79 I94 F116 A119 L120L71-L75 PolarHBondContact O-N 3.28Å; K72-L75 CarbonylContact O-C 3.39Å; K72-L75 PolarHBondContact O-N 3.28Å; L75-V77 VanDerWaalsContact C-N 3.25Å; L75-V77 PolarHBondContact O-N 3.28Å; L75-I78 HydrophobicContact CD1-CB 4.38Å; L75-I78 HydrophobicContact CD1-CD1 4.4Å; L75-I78 WeakPolarHBondContact O-CA 3.45Å; L75-I78 VanDerWaalsContact O-CB 3.32Å; L75-I78 WeakPolarHBondContact O-CB 3.25Å; L75-I78 PolarHBondContact O-N 2.78Å; L75-E79 HydrophobicContact CD1-CG 4.35Å; L75-E79 HydrophobicContact CG-CG 4.45Å; L75-E79 WeakPolarHBondContact O-CG 3.44Å; L75-E79 PolarHBondContact O-N 3.39Å; L75-I94 HydrophobicContact CB-CD1 4.32Å; L75-F116 HydrophobicContact CB-CE2 3.81Å; L75-F116 HydrophobicContact CD2-CD2 3.61Å; L75-F116 HydrophobicContact CD2-CE2 3.67Å; L75-F116 HydrophobicContact CG-CE2 4.32Å; L75-A119 HydrophobicContact CD1-CB 4.05Å; L75-A119 HydrophobicContact CD2-CB 3.69Å; L75-A119 HydrophobicContact CG-CB 4.46Å; L75-L120 HydrophobicContact CD1-CD2 4.04Å
76S96Very high93.9Very high57 Ų5736.5 Ų36.540%0.39920%0.202SC..Hα-helixtrans-59-38.7174.7-174.60000111.4K72 S73 Y74 E79 H80K72-S76 WeakPolarHBondContact O-CB 3.38Å; K72-S76 PolarHBondContact O-N 3.07Å; S73-S76 PolarHBondContact O-N 2.99Å; Y74-S76 VanDerWaalsContact C-N 3.29Å; Y74-S76 PolarHBondContact O-N 3.18Å; S76-E79 PolarHBondContact O-N 3.15Å; S76-H80 WeakPolarHBondContact O-CB 3.4Å; S76-H80 PolarHBondContact O-N 3.42Å; S76-H80 VanDerWaalsContact O-N 3.16Å; S76-H80 PolarHBondContact O-ND1 3.27Å
77V94.5Very high93.6Very high23 Ų2339.9 Ų39.914%0.13922%0.215CC..Hα-helixtrans-66.4-41.3174.2179.40000110.6S73 Y74 L75 E79 H80 D81 V86 V195 I197S73-V77 PolarHBondContact O-N 3.26Å; Y74-V77 WeakPolarHBondContact O-CB 3.45Å; Y74-V77 PolarHBondContact O-N 3.14Å; Y74-V77 VanDerWaalsContact O-N 3.11Å; L75-V77 VanDerWaalsContact C-N 3.25Å; L75-V77 PolarHBondContact O-N 3.28Å; V77-E79 VanDerWaalsContact C-N 3.27Å; V77-E79 PolarHBondContact O-N 3.16Å; V77-H80 PolarHBondContact O-N 2.89Å; V77-D81 HydrophobicContact CG1-CB 4.02Å; V77-D81 VanDerWaalsContact O-CB 3.22Å; V77-D81 WeakPolarHBondContact O-CB 3.15Å; V77-D81 PolarHBondContact O-N 2.95Å; V77-V86 HydrophobicContact CG1-CG1 3.67Å; V77-V195 HydrophobicContact CG2-CB 3.98Å; V77-V195 HydrophobicContact CG2-CG1 4.12Å; V77-I197 HydrophobicContact CG1-CD1 4.4Å
78I95.3Very high93.3Very high5 Ų540.4 Ų40.43%0.02622%0.217CC..Hα-helixtrans-57.8-40.5175.8-63.4172.1000111.4Y74 L75 R87 C90 F91 I94 Y123Y74-I78 WeakPolarHBondContact O-CG1 3.21Å; Y74-I78 PolarHBondContact O-N 3.14Å; Y74-I78 VanDerWaalsContact O-N 3.1Å; L75-I78 HydrophobicContact CD1-CB 4.38Å; L75-I78 HydrophobicContact CD1-CD1 4.4Å; L75-I78 WeakPolarHBondContact O-CA 3.45Å; L75-I78 VanDerWaalsContact O-CB 3.32Å; L75-I78 WeakPolarHBondContact O-CB 3.25Å; L75-I78 PolarHBondContact O-N 2.78Å; I78-R87 HydrophobicContact CG2-CB 4.48Å; I78-R87 WeakPolarHBondContact O-CD 3.47Å; I78-C90 HydrophobicContact CD1-CB 4.21Å; I78-C90 HydrophobicContact CG1-CB 3.75Å; I78-F91 HydrophobicContact CD1-CB 3.83Å; I78-F91 HydrophobicContact CD1-CD2 4.13Å; I78-F91 HydrophobicContact CD1-CG 4.43Å; I78-I94 HydrophobicContact CD1-CD1 3.68Å; I78-Y123 HydrophobicContact CG2-CD1 3.66Å; I78-Y123 HydrophobicContact CG2-CD2 3.33Å; I78-Y123 HydrophobicContact CG2-CE1 4.04Å; I78-Y123 HydrophobicContact CG2-CE2 3.74Å; I78-Y123 HydrophobicContact CG2-CG 3.3Å
79E95.4Very high93.1Very high111 Ų11140.1 Ų40.152%0.51922%0.216SC..Hα-helixtrans-77.8-27.8-176.5-70.3179.7153.800113.7L75 S76 V77L75-E79 HydrophobicContact CD1-CG 4.35Å; L75-E79 HydrophobicContact CG-CG 4.45Å; L75-E79 WeakPolarHBondContact O-CG 3.44Å; L75-E79 PolarHBondContact O-N 3.39Å; S76-E79 PolarHBondContact O-N 3.15Å; V77-E79 VanDerWaalsContact C-N 3.27Å; V77-E79 PolarHBondContact O-N 3.16Å
80H93.3Very high92.9Very high145 Ų14538 Ų3867%0.67120%0.201SC*.Hα-helixtrans-116.1-20.5-168.1-59.384.7000115S76 V77S76-H80 WeakPolarHBondContact O-CB 3.4Å; S76-H80 PolarHBondContact O-N 3.42Å; S76-H80 VanDerWaalsContact O-N 3.16Å; S76-H80 PolarHBondContact O-ND1 3.27Å; V77-H80 PolarHBondContact O-N 2.89Å
81D90.5Very high92.8Very high46 Ų4637.9 Ų37.925%0.24620%0.2CC..  trans-74.6139.8-179.8-158.8-69.8000111.5V77 K83 V86 R87V77-D81 HydrophobicContact CG1-CB 4.02Å; V77-D81 VanDerWaalsContact O-CB 3.22Å; V77-D81 WeakPolarHBondContact O-CB 3.15Å; V77-D81 PolarHBondContact O-N 2.95Å; D81-K83 WeakPolarHBondContact OD1-CB 3.42Å; D81-K83 PolarHBondContact OD1-N 3.28Å; D81-V86 HydrophobicContact CB-CG1 4.19Å; D81-R87 HydrophobicContact CB-CG 4.1Å; D81-R87 WeakPolarHBondContact O-CD 3.49Å
82S88.4Confident92.7Very high112 Ų11237.9 Ų37.978%0.78320%0.2SC*.SBendtrans-80.1-24.1-178.859.80000113.1
83K86.5Confident92.6Very high64 Ų6434.1 Ų34.128%0.27818%0.184SC..  trans-89.3120.4-176-57.3179.8179.2178.20109.8D81 I85 V86 R87 M201D81-K83 WeakPolarHBondContact OD1-CB 3.42Å; D81-K83 PolarHBondContact OD1-N 3.28Å; K83-I85 HydrophobicContact CB-CG2 4.05Å; K83-I85 PolarHBondContact O-N 2.84Å; K83-V86 HydrophobicContact CB-CB 4.28Å; K83-V86 HydrophobicContact CB-CG2 3.92Å; K83-V86 HydrophobicContact CD-CG2 4.11Å; K83-V86 PolarHBondContact O-N 3.34Å; K83-R87 WeakPolarHBondContact O-CG 3.43Å; K83-R87 PolarHBondContact O-N 2.69Å; K83-M201 HydrophobicContact CD-CG 4.47Å
84A87.8Confident92.7Very high23 Ų2333.1 Ų33.119%0.1918%0.177CC..Hα-helixtrans-62.1-34.5-178.400000111.9V86 R87 D88 N694A84-V86 VanDerWaalsContact C-N 3.34Å; A84-V86 PolarHBondContact O-N 3.2Å; A84-R87 VanDerWaalsContact CB-NH2 3.31Å; A84-R87 PolarHBondContact O-N 2.71Å; A84-D88 WeakPolarHBondContact O-CB 3.22Å; A84-D88 PolarHBondContact O-N 3Å; A84-N694 WeakPolarHBondContact CA-O 3.37Å; A84-N694 VanDerWaalsContact CB-O 3.28Å; A84-N694 WeakPolarHBondContact CB-O 3.03Å; A84-N694 PolarHBondContact N-O 3.44Å
85I86.1Confident92.8Very high1 Ų133 Ų331%0.00518%0.177CC..Hα-helixtrans-58.8-39.3177.1-153.3163.2000114.2K83 L89 M201 F204 N694K83-I85 HydrophobicContact CB-CG2 4.05Å; K83-I85 PolarHBondContact O-N 2.84Å; I85-L89 PolarHBondContact O-N 3.5Å; I85-L89 VanDerWaalsContact O-N 3.14Å; I85-M201 HydrophobicContact CG2-CG 4.5Å; I85-F204 HydrophobicContact CB-CE2 4.25Å; I85-F204 HydrophobicContact CD1-CB 3.98Å; I85-F204 HydrophobicContact CD1-CD1 3.67Å; I85-F204 HydrophobicContact CD1-CD2 3.27Å; I85-F204 HydrophobicContact CD1-CE1 3.86Å; I85-F204 HydrophobicContact CD1-CE2 3.56Å; I85-F204 HydrophobicContact CD1-CG 3.34Å; I85-F204 HydrophobicContact CD1-CZ 3.82Å; I85-F204 HydrophobicContact CG1-CD1 4.15Å; I85-F204 HydrophobicContact CG1-CD2 3.14Å; I85-F204 HydrophobicContact CG1-CE1 3.92Å; I85-F204 HydrophobicContact CG1-CE2 2.93Å; I85-F204 HydrophobicContact CG1-CG 3.77Å; I85-F204 HydrophobicContact CG1-CZ 3.33Å; I85-N694 PolarHBondContact N-O 3.37Å
86V88Confident92.7Very high3 Ų333.2 Ų33.22%0.01818%0.176CC..Hα-helixtrans-71.7-42.7177.9171.90000110.1V77 D81 K83 A84 L89 C90 I197 F199V77-V86 HydrophobicContact CG1-CG1 3.67Å; D81-V86 HydrophobicContact CB-CG1 4.19Å; K83-V86 HydrophobicContact CB-CB 4.28Å; K83-V86 HydrophobicContact CB-CG2 3.92Å; K83-V86 HydrophobicContact CD-CG2 4.11Å; K83-V86 PolarHBondContact O-N 3.34Å; A84-V86 VanDerWaalsContact C-N 3.34Å; A84-V86 PolarHBondContact O-N 3.2Å; V86-L89 WeakPolarHBondContact O-CB 3.47Å; V86-L89 PolarHBondContact O-N 3.14Å; V86-C90 PolarHBondContact O-N 2.98Å; V86-C90 VanDerWaalsContact O-N 3.11Å; V86-I197 HydrophobicContact CG1-CD1 4.47Å; V86-I197 HydrophobicContact CG1-CG2 3.64Å; V86-F199 HydrophobicContact CG2-CE1 3.84Å; V86-F199 HydrophobicContact CG2-CZ 3.77Å
87R91.3Very high92.8Very high75 Ų7530.5 Ų30.528%0.28316%0.157SC..Hα-helixtrans-61.7-44176.4-59.5-175.4-62.3-152.91.6111.3I78 D81 K83 A84 L89 C90 F91 Y123I78-R87 HydrophobicContact CG2-CB 4.48Å; I78-R87 WeakPolarHBondContact O-CD 3.47Å; D81-R87 HydrophobicContact CB-CG 4.1Å; D81-R87 WeakPolarHBondContact O-CD 3.49Å; K83-R87 WeakPolarHBondContact O-CG 3.43Å; K83-R87 PolarHBondContact O-N 2.69Å; A84-R87 VanDerWaalsContact CB-NH2 3.31Å; A84-R87 PolarHBondContact O-N 2.71Å; R87-L89 VanDerWaalsContact C-N 3.34Å; R87-L89 PolarHBondContact O-N 2.98Å; R87-C90 PolarHBondContact O-N 3.34Å; R87-F91 WeakPolarHBondContact O-CB 3.41Å; R87-F91 PolarHBondContact O-N 2.79Å; R87-Y123 HydrophobicContact CB-CE1 4.48Å; R87-Y123 HydrophobicContact CB-CE2 3.85Å; R87-Y123 WeakPolarHBondContact CB-OH 2.98Å
88D91.5Very high92.9Very high10 Ų1029.5 Ų29.55%0.05315%0.151CC..Hα-helixtrans-63.5-36.6177.1-88.411.8000112.6A84 F91 S92 Y123 R127 L151A84-D88 WeakPolarHBondContact O-CB 3.22Å; A84-D88 PolarHBondContact O-N 3Å; D88-F91 PolarHBondContact O-N 3.24Å; D88-S92 WeakPolarHBondContact O-CB 3.38Å; D88-S92 PolarHBondContact O-N 3.09Å; D88-Y123 PolarHBondContact N-OH 2.9Å; D88-Y123 WeakPolarHBondContact OD1-CE1 3.11Å; D88-Y123 PolarHBondContact OD1-OH 3.34Å; D88-R127 IonicContact OD1-CZ 3.86Å; D88-R127 IonicContact OD1-NE 2.82Å; D88-R127 PolarHBondContact OD1-NE 2.97Å; D88-R127 IonicContact OD1-NH2 3.4Å; D88-R127 IonicContact OD2-CZ 3.5Å; D88-R127 IonicContact OD2-NE 3.63Å; D88-R127 PolarHBondContact OD2-NE 2.78Å; D88-R127 IonicContact OD2-NH2 2.69Å; D88-R127 PolarHBondContact OD2-NH2 3.27Å; D88-L151 HydrophobicContact CB-CD1 3.71Å
89L91.2Very high93Very high3 Ų329.3 Ų29.32%0.01615%0.15CC..Hα-helixtrans-61.4-51.9173.1177.469.2000111.5W43 I85 V86 R87 F91 S92 F93 F199 F206W43-L89 HydrophobicContact CB-CD1 4.49Å; W43-L89 HydrophobicContact CD2-CD1 4.44Å; W43-L89 HydrophobicContact CD2-CD2 3.85Å; W43-L89 HydrophobicContact CE3-CD1 4.46Å; W43-L89 HydrophobicContact CE3-CD2 3.53Å; W43-L89 HydrophobicContact CE3-CG 4.5Å; W43-L89 HydrophobicContact CG-CD1 4.49Å; W43-L89 HydrophobicContact CH2-CD2 4.02Å; W43-L89 HydrophobicContact CZ2-CD2 4.27Å; W43-L89 HydrophobicContact CZ3-CD2 3.63Å; I85-L89 PolarHBondContact O-N 3.5Å; I85-L89 VanDerWaalsContact O-N 3.14Å; V86-L89 WeakPolarHBondContact O-CB 3.47Å; V86-L89 PolarHBondContact O-N 3.14Å; R87-L89 VanDerWaalsContact C-N 3.34Å; R87-L89 PolarHBondContact O-N 2.98Å; L89-F91 VanDerWaalsContact C-N 3.27Å; L89-F91 PolarHBondContact O-N 3.47Å; L89-S92 VanDerWaalsContact O-CB 3.26Å; L89-S92 WeakPolarHBondContact O-CB 3.45Å; L89-S92 PolarHBondContact O-N 3.4Å; L89-F93 HydrophobicContact CD1-CD2 4.24Å; L89-F93 HydrophobicContact CD1-CE2 3.65Å; L89-F93 HydrophobicContact CG-CD2 4.47Å; L89-F93 HydrophobicContact CG-CE2 4.11Å; L89-F93 WeakPolarHBondContact O-CD2 3.47Å; L89-F93 PolarHBondContact O-N 3.03Å; L89-F93 VanDerWaalsContact O-N 3.12Å; L89-F199 HydrophobicContact CD2-CE1 3.86Å; L89-F199 HydrophobicContact CD2-CZ 3.97Å; L89-F206 HydrophobicContact CD1-CD2 3.7Å; L89-F206 HydrophobicContact CD1-CE2 3.99Å
90C93.3Very high93Very high1 Ų124.3 Ų24.31%0.00713%0.127CC..Hα-helixtrans-60.7-38.9176.8-71.40000111.8Y74 I78 V86 R87 S92 F93 I94 I197Y74-C90 HydrophobicContact CD1-CB 4.15Å; I78-C90 HydrophobicContact CD1-CB 4.21Å; I78-C90 HydrophobicContact CG1-CB 3.75Å; V86-C90 PolarHBondContact O-N 2.98Å; V86-C90 VanDerWaalsContact O-N 3.11Å; R87-C90 PolarHBondContact O-N 3.34Å; C90-S92 VanDerWaalsContact C-N 3.35Å; C90-S92 PolarHBondContact O-N 2.71Å; C90-F93 WeakPolarHBondContact O-CB 3.45Å; C90-F93 PolarHBondContact O-N 2.98Å; C90-I94 WeakPolarHBondContact O-CG1 3.47Å; C90-I94 PolarHBondContact O-N 3.05Å; C90-I94 VanDerWaalsContact O-N 3.17Å; C90-I197 WeakPolarHBondContact SG-CD1 3.38Å
91F95.3Very high93.1Very high0 Ų017.4 Ų17.40%010%0.095CC..Hα-helixtrans-61.3-45.1176.2-170.9-136.1000111.2I78 R87 D88 L89 F93 I94 L95 L120 Y123 E124 L151 W155I78-F91 HydrophobicContact CD1-CB 3.83Å; I78-F91 HydrophobicContact CD1-CD2 4.13Å; I78-F91 HydrophobicContact CD1-CG 4.43Å; R87-F91 WeakPolarHBondContact O-CB 3.41Å; R87-F91 PolarHBondContact O-N 2.79Å; D88-F91 PolarHBondContact O-N 3.24Å; L89-F91 VanDerWaalsContact C-N 3.27Å; L89-F91 PolarHBondContact O-N 3.47Å; F91-F93 VanDerWaalsContact C-N 3.32Å; F91-F93 PolarHBondContact O-N 3.34Å; F91-I94 PolarHBondContact O-N 3.15Å; F91-L95 HydrophobicContact CD1-CD1 4.06Å; F91-L95 HydrophobicContact CD2-CD1 4.44Å; F91-L95 HydrophobicContact CD2-CD2 4.32Å; F91-L95 HydrophobicContact CD2-CG 4.1Å; F91-L95 HydrophobicContact CE1-CD1 3.67Å; F91-L95 HydrophobicContact CE1-CG 4.34Å; F91-L95 HydrophobicContact CE2-CD1 4.07Å; F91-L95 HydrophobicContact CE2-CD2 3.69Å; F91-L95 HydrophobicContact CE2-CG 3.86Å; F91-L95 HydrophobicContact CG-CD1 4.42Å; F91-L95 HydrophobicContact CG-CG 4.42Å; F91-L95 HydrophobicContact CZ-CD1 3.67Å; F91-L95 HydrophobicContact CZ-CD2 3.91Å; F91-L95 HydrophobicContact CZ-CG 3.99Å; F91-L95 WeakPolarHBondContact O-CG 3.49Å; F91-L95 PolarHBondContact O-N 3.47Å; F91-L120 HydrophobicContact CD2-CD2 3.98Å; F91-L120 HydrophobicContact CE2-CB 4.03Å; F91-L120 HydrophobicContact CE2-CD2 3.92Å; F91-L120 HydrophobicContact CE2-CG 4.44Å; F91-Y123 HydrophobicContact CB-CD1 4.15Å; F91-Y123 HydrophobicContact CB-CE1 3.82Å; F91-Y123 AromaticContact CD1-CD1 3.89Å; F91-Y123 HydrophobicContact CD1-CD1 3.89Å; F91-Y123 AromaticContact CD1-CE1 3.83Å; F91-Y123 HydrophobicContact CD1-CE1 3.83Å; F91-Y123 AromaticContact CD2-CD1 3.98Å; F91-Y123 HydrophobicContact CD2-CD1 3.98Å; F91-Y123 HydrophobicContact CD2-CE1 4.49Å; F91-Y123 HydrophobicContact CE1-CD1 4.25Å; F91-Y123 HydrophobicContact CE2-CD1 4.35Å; F91-Y123 AromaticContact CG-CD1 3.75Å; F91-Y123 HydrophobicContact CG-CD1 3.75Å; F91-Y123 AromaticContact CG-CE1 3.81Å; F91-Y123 HydrophobicContact CG-CE1 3.81Å; F91-Y123 HydrophobicContact CZ-CD1 4.47Å; F91-E124 HydrophobicContact CE1-CB 4.31Å; F91-E124 HydrophobicContact CZ-CB 4.01Å; F91-L151 HydrophobicContact CD1-CB 4.36Å; F91-L151 HydrophobicContact CD1-CD1 4.27Å; F91-L151 HydrophobicContact CE1-CB 4.47Å; F91-W155 HydrophobicContact CE2-CE3 4.47Å; F91-W155 AromaticContact CZ-CE3 3.98Å; F91-W155 HydrophobicContact CZ-CE3 3.98Å
92S94.8Very high93.4Very high0 Ų015.3 Ų15.30%08%0.084CC..Hα-helixtrans-54.9-44.6173.6-167.50000112.6D88 L89 C90 I94 L95 R96D88-S92 WeakPolarHBondContact O-CB 3.38Å; D88-S92 PolarHBondContact O-N 3.09Å; L89-S92 VanDerWaalsContact O-CB 3.26Å; L89-S92 WeakPolarHBondContact O-CB 3.45Å; L89-S92 PolarHBondContact O-N 3.4Å; C90-S92 VanDerWaalsContact C-N 3.35Å; C90-S92 PolarHBondContact O-N 2.71Å; S92-I94 VanDerWaalsContact C-N 3.34Å; S92-I94 PolarHBondContact O-N 3.3Å; S92-L95 PolarHBondContact O-N 3.3Å; S92-R96 WeakPolarHBondContact O-CB 3.45Å; S92-R96 WeakPolarHBondContact O-CD 3.42Å; S92-R96 WeakPolarHBondContact O-CG 3.41Å; S92-R96 PolarHBondContact O-N 3.24Å; S92-R96 PolarHBondContact OG-NE 3.25Å
93F95.8Very high93.7Very high1 Ų112.4 Ų12.40%0.0046%0.058CC..Hα-helixtrans-60.9-44.3179.3-83.7-132.1000111.5L38 W43 A46 Q47 T50 Y74 L89 C90 F91 T97L38-F93 HydrophobicContact CD2-CE1 4.09Å; L38-F93 HydrophobicContact CD2-CZ 4.36Å; W43-F93 WeakPolarHBondContact O-CZ 3.34Å; A46-F93 HydrophobicContact CB-CE1 3.88Å; A46-F93 HydrophobicContact CB-CZ 3.94Å; Q47-F93 VanDerWaalsContact CA-CE1 3.48Å; Q47-F93 HydrophobicContact CB-CD1 4.38Å; Q47-F93 HydrophobicContact CB-CD2 4.22Å; Q47-F93 HydrophobicContact CB-CE1 3.99Å; Q47-F93 HydrophobicContact CB-CE2 3.79Å; Q47-F93 HydrophobicContact CB-CZ 3.67Å; Q47-F93 HydrophobicContact CG-CD2 4.27Å; Q47-F93 HydrophobicContact CG-CE2 4.31Å; Q47-F93 HydrophobicContact CG-CG 4.49Å; T50-F93 HydrophobicContact CG2-CD1 4.33Å; Y74-F93 HydrophobicContact CD1-CB 4.34Å; Y74-F93 HydrophobicContact CD1-CD1 4.48Å; Y74-F93 HydrophobicContact CE1-CB 4.3Å; Y74-F93 AromaticContact CE1-CD1 3.66Å; Y74-F93 HydrophobicContact CE1-CD1 3.66Å; Y74-F93 HydrophobicContact CE1-CE1 4.29Å; Y74-F93 HydrophobicContact CE1-CG 4.21Å; Y74-F93 AromaticContact CZ-CD1 3.73Å; L89-F93 HydrophobicContact CD1-CD2 4.24Å; L89-F93 HydrophobicContact CD1-CE2 3.65Å; L89-F93 HydrophobicContact CG-CD2 4.47Å; L89-F93 HydrophobicContact CG-CE2 4.11Å; L89-F93 WeakPolarHBondContact O-CD2 3.47Å; L89-F93 PolarHBondContact O-N 3.03Å; L89-F93 VanDerWaalsContact O-N 3.12Å; C90-F93 WeakPolarHBondContact O-CB 3.45Å; C90-F93 PolarHBondContact O-N 2.98Å; F91-F93 VanDerWaalsContact C-N 3.32Å; F91-F93 PolarHBondContact O-N 3.34Å; F93-T97 WeakPolarHBondContact O-CB 3.46Å; F93-T97 PolarHBondContact O-N 3.3Å; F93-T97 PolarHBondContact O-OG1 3.32Å
94I98.1Very high94.2Very high0 Ų011.1 Ų11.10%05%0.053CC..Hα-helixtrans-64-53.7177.7-63.5167.4000110.2L71 L75 I78 C90 F91 S92 R96 T97 L98 F116 L120L71-I94 HydrophobicContact CD2-CG1 4.43Å; L75-I94 HydrophobicContact CB-CD1 4.32Å; I78-I94 HydrophobicContact CD1-CD1 3.68Å; C90-I94 WeakPolarHBondContact O-CG1 3.47Å; C90-I94 PolarHBondContact O-N 3.05Å; C90-I94 VanDerWaalsContact O-N 3.17Å; F91-I94 PolarHBondContact O-N 3.15Å; S92-I94 VanDerWaalsContact C-N 3.34Å; S92-I94 PolarHBondContact O-N 3.3Å; I94-R96 PolarHBondContact O-N 3.43Å; I94-T97 PolarHBondContact O-N 2.98Å; I94-L98 HydrophobicContact CG2-CD1 4.17Å; I94-L98 HydrophobicContact CG2-CG 4.29Å; I94-L98 WeakPolarHBondContact O-CG 3.37Å; I94-L98 PolarHBondContact O-N 3.02Å; I94-F116 HydrophobicContact CD1-CZ 4Å; I94-F116 HydrophobicContact CG1-CZ 4.32Å; I94-F116 HydrophobicContact CG2-CE1 3.62Å; I94-F116 HydrophobicContact CG2-CZ 3.65Å; I94-L120 HydrophobicContact CD1-CD2 3.89Å; I94-L120 HydrophobicContact CG2-CD1 3.75Å; I94-L120 HydrophobicContact CG2-CD2 4.05Å
95L97.7Very high94.6Very high0 Ų010 Ų100%04%0.044CC..Hα-helixtrans-60.4-33-175.9-66.1-170.7000112.8F91 S92 T97 L98 P99 L151 L154 W155 I158F91-L95 HydrophobicContact CD1-CD1 4.06Å; F91-L95 HydrophobicContact CD2-CD1 4.44Å; F91-L95 HydrophobicContact CD2-CD2 4.32Å; F91-L95 HydrophobicContact CD2-CG 4.1Å; F91-L95 HydrophobicContact CE1-CD1 3.67Å; F91-L95 HydrophobicContact CE1-CG 4.34Å; F91-L95 HydrophobicContact CE2-CD1 4.07Å; F91-L95 HydrophobicContact CE2-CD2 3.69Å; F91-L95 HydrophobicContact CE2-CG 3.86Å; F91-L95 HydrophobicContact CG-CD1 4.42Å; F91-L95 HydrophobicContact CG-CG 4.42Å; F91-L95 HydrophobicContact CZ-CD1 3.67Å; F91-L95 HydrophobicContact CZ-CD2 3.91Å; F91-L95 HydrophobicContact CZ-CG 3.99Å; F91-L95 WeakPolarHBondContact O-CG 3.49Å; F91-L95 PolarHBondContact O-N 3.47Å; S92-L95 PolarHBondContact O-N 3.3Å; L95-T97 VanDerWaalsContact C-N 3.34Å; L95-L98 HydrophobicContact CD2-CD1 4.46Å; L95-P99 WeakPolarHBondContact O-CD 3.43Å; L95-L151 HydrophobicContact CD1-CD2 4.35Å; L95-L154 HydrophobicContact CB-CD2 3.48Å; L95-L154 VanDerWaalsContact CB-CD2 3.48Å; L95-L154 HydrophobicContact CB-CG 3.87Å; L95-L154 HydrophobicContact CD1-CB 4.32Å; L95-L154 HydrophobicContact CD1-CD2 4.15Å; L95-L154 HydrophobicContact CD1-CG 4.1Å; L95-L154 HydrophobicContact CG-CD2 4.5Å; L95-W155 HydrophobicContact CD1-CB 4.48Å; L95-W155 HydrophobicContact CD2-CE3 3.82Å; L95-W155 HydrophobicContact CD2-CZ3 4.24Å; L95-I158 HydrophobicContact CB-CG1 4.48Å; L95-I158 HydrophobicContact CD2-CG1 4.2Å; L95-I158 WeakPolarHBondContact O-CD1 3.42Å
96R96.7Very high95.2Very high18 Ų1811.8 Ų11.87%0.0686%0.057CC..Hα-helixtrans-79.7-17.6177.7-66.2169.2164.8-90.5-3.8113.5I51 S92 I94 L154 F235I51-R96 HydrophobicContact CD1-CB 4.02Å; S92-R96 WeakPolarHBondContact O-CB 3.45Å; S92-R96 WeakPolarHBondContact O-CD 3.42Å; S92-R96 WeakPolarHBondContact O-CG 3.41Å; S92-R96 PolarHBondContact O-N 3.24Å; S92-R96 PolarHBondContact OG-NE 3.25Å; I94-R96 PolarHBondContact O-N 3.43Å; R96-L154 HydrophobicContact CG-CD2 3.78Å; R96-F235 HydrophobicContact CG-CZ 3.94Å
97T97Very high95.5Very high0 Ų016.8 Ų16.80%08%0.083CC..Hα-helixtrans-87.5-37.8178.5-57.30000112C54 L71 F93 I94 L95 I100 V101C54-T97 HydrophobicContact CB-CG2 3.46Å; C54-T97 VanDerWaalsContact CB-CG2 3.46Å; L71-T97 HydrophobicContact CD2-CG2 4.04Å; F93-T97 WeakPolarHBondContact O-CB 3.46Å; F93-T97 PolarHBondContact O-N 3.3Å; F93-T97 PolarHBondContact O-OG1 3.32Å; I94-T97 PolarHBondContact O-N 2.98Å; L95-T97 VanDerWaalsContact C-N 3.34Å; T97-I100 PolarHBondContact O-N 3.16Å; T97-V101 HydrophobicContact CG2-CG1 4.48Å; T97-V101 HydrophobicContact CG2-CG2 4.04Å; T97-V101 PolarHBondContact O-N 3.33Å
98L97.6Very high95.8Very high1 Ų117 Ų171%0.0059%0.09CC..Hα-helixtrans-52.5-38.1-177.8-74.8175.4000115.4I94 L95 I100 V101 G102 L113 L120 I158 W166I94-L98 HydrophobicContact CG2-CD1 4.17Å; I94-L98 HydrophobicContact CG2-CG 4.29Å; I94-L98 WeakPolarHBondContact O-CG 3.37Å; I94-L98 PolarHBondContact O-N 3.02Å; L95-L98 HydrophobicContact CD2-CD1 4.46Å; L98-I100 PolarHBondContact O-N 2.88Å; L98-I100 VanDerWaalsContact O-N 3.15Å; L98-V101 PolarHBondContact O-N 3.34Å; L98-G102 WeakPolarHBondContact O-CA 3.34Å; L98-G102 PolarHBondContact O-N 3.04Å; L98-L113 HydrophobicContact CD2-CD1 4.35Å; L98-L120 HydrophobicContact CD1-CD1 4.08Å; L98-I158 HydrophobicContact CB-CD1 3.97Å; L98-I158 HydrophobicContact CD1-CG2 3.91Å; L98-W166 HydrophobicContact CB-CZ3 4.06Å; L98-W166 HydrophobicContact CD1-CH2 4.34Å; L98-W166 HydrophobicContact CD1-CZ3 4.4Å; L98-W166 HydrophobicContact CD2-CH2 4.31Å; L98-W166 HydrophobicContact CD2-CZ3 4.31Å; L98-W166 HydrophobicContact CG-CZ3 4.5Å
99P96.4Very high96.1Very high2 Ų218.1 Ų18.11%0.01310%0.095CC..Hα-helixtrans-59.3-28176.4-27.437.6000113.3L95 I158 L161 R173 I232 L236L95-P99 WeakPolarHBondContact O-CD 3.43Å; P99-I158 HydrophobicContact CG-CD1 3.69Å; P99-L161 HydrophobicContact CB-CD2 4.28Å; P99-R173 PolarHBondContact O-NH2 3.49Å; P99-I232 HydrophobicContact CB-CD1 4.17Å; P99-I232 HydrophobicContact CB-CG1 3.88Å; P99-I232 HydrophobicContact CG-CD1 3.55Å; P99-I232 HydrophobicContact CG-CG1 3.84Å; P99-L236 HydrophobicContact CB-CD1 4.41Å; P99-L236 HydrophobicContact CB-CD2 4.06Å
100I94.9Very high96.3Very high6 Ų621.2 Ų21.23%0.03112%0.116CC..Hα-helixtrans-85.5-39.8-178.1-57.6-58.1000111.4I51 S55 N58 T97 L98 Y171 R173I51-I100 HydrophobicContact CG2-CB 4.37Å; I51-I100 HydrophobicContact CG2-CG1 3.72Å; S55-I100 VanDerWaalsContact CB-CG2 3.49Å; N58-I100 PolarHBondContact ND2-O 3.18Å; T97-I100 PolarHBondContact O-N 3.16Å; L98-I100 PolarHBondContact O-N 2.88Å; L98-I100 VanDerWaalsContact O-N 3.15Å; I100-Y171 HydrophobicContact CD1-CD2 3.77Å; I100-Y171 HydrophobicContact CD1-CE2 3.36Å; I100-R173 PolarHBondContact O-NH1 3.49Å
101V96.1Very high96.6Very high0 Ų027.9 Ų27.90%015%0.151CC..Hα-helixtrans-111.4-10.6-168.2-58.50000114.9C54 V57 L71 T97 L98 E103 Q104 L105C54-V101 HydrophobicContact CB-CG1 3.94Å; C54-V101 WeakPolarHBondContact O-CG1 3.44Å; V57-V101 HydrophobicContact CG1-CB 4.07Å; V57-V101 HydrophobicContact CG1-CG1 3.83Å; L71-V101 HydrophobicContact CD1-CG2 4.47Å; T97-V101 HydrophobicContact CG2-CG1 4.48Å; T97-V101 HydrophobicContact CG2-CG2 4.04Å; T97-V101 PolarHBondContact O-N 3.33Å; L98-V101 PolarHBondContact O-N 3.34Å; V101-E103 VanDerWaalsContact C-N 3.32Å; V101-E103 PolarHBondContact O-N 2.86Å; V101-Q104 PolarHBondContact O-N 3.1Å; V101-L105 HydrophobicContact CB-CD1 4.31Å; V101-L105 HydrophobicContact CB-CG 4.47Å; V101-L105 HydrophobicContact CG2-CD1 3.76Å; V101-L105 HydrophobicContact CG2-CG 4.44Å; V101-L105 WeakPolarHBondContact O-CG 3.49Å; V101-L105 PolarHBondContact O-N 2.9Å
102G96.7Very high96.7Very high1 Ų131.3 Ų31.31%0.0117%0.167CC..Hα-helixtrans-57.4-41.4-172.100000113.5L98 L105 S106L98-G102 WeakPolarHBondContact O-CA 3.34Å; L98-G102 PolarHBondContact O-N 3.04Å; G102-L105 PolarHBondContact O-N 3.27Å; G102-S106 WeakPolarHBondContact O-CB 3.45Å; G102-S106 PolarHBondContact O-N 3.46Å
103E96Very high96.8Very high51 Ų5131.6 Ų31.624%0.23817%0.169CC..Hα-helixtrans-60.8-49.8177.3-172.7-175.4-179.500111.5V101 L105 S106 N107 W166 K176V101-E103 VanDerWaalsContact C-N 3.32Å; V101-E103 PolarHBondContact O-N 2.86Å; E103-L105 PolarHBondContact O-N 2.99Å; E103-S106 PolarHBondContact O-N 3.29Å; E103-N107 VanDerWaalsContact O-CG 3.24Å; E103-N107 PolarHBondContact O-N 2.89Å; E103-N107 PolarHBondContact O-ND2 3.24Å; E103-W166 HydrophobicContact CB-CB 4.22Å; E103-K176 IonicContact OE1-NZ 3.01Å; E103-K176 PolarHBondContact OE1-NZ 2.99Å; E103-K176 WeakPolarHBondContact OE2-CE 3.11Å; E103-K176 IonicContact OE2-NZ 2.86Å; E103-K176 PolarHBondContact OE2-NZ 2.88Å
104Q95.3Very high96.9Very high37 Ų3733.9 Ų33.917%0.17318%0.179CC..Hα-helixtrans-63.9-44.5-179.6-17262.240.500111.5V57 N58 V101 S106 N107 D108V57-Q104 HydrophobicContact CG1-CB 4.33Å; V57-Q104 HydrophobicContact CG1-CG 4.2Å; V57-Q104 HydrophobicContact CG2-CG 4.2Å; N58-Q104 VanDerWaalsContact OD1-CB 3.25Å; N58-Q104 WeakPolarHBondContact OD1-CB 3.28Å; V101-Q104 PolarHBondContact O-N 3.1Å; Q104-S106 VanDerWaalsContact C-N 3.33Å; Q104-S106 PolarHBondContact O-N 3.45Å; Q104-N107 PolarHBondContact O-N 3.16Å; Q104-D108 PolarHBondContact NE2-OD1 3.43Å; Q104-D108 VanDerWaalsContact NE2-OD1 3.1Å; Q104-D108 PolarHBondContact NE2-OD2 3.46Å; Q104-D108 PolarHBondContact O-N 3.14Å
105L97.5Very high96.9Very high1 Ų137.1 Ų37.11%0.00520%0.202CC..Hα-helixtrans-65.5-36.8177.5-67.6178.1000112.3C67 I68 L71 V101 G102 E103 N107 M109 L113C67-L105 HydrophobicContact CB-CD2 4.23Å; I68-L105 HydrophobicContact CD1-CD1 4.22Å; L71-L105 HydrophobicContact CD1-CD1 4.08Å; V101-L105 HydrophobicContact CB-CD1 4.31Å; V101-L105 HydrophobicContact CB-CG 4.47Å; V101-L105 HydrophobicContact CG2-CD1 3.76Å; V101-L105 HydrophobicContact CG2-CG 4.44Å; V101-L105 WeakPolarHBondContact O-CG 3.49Å; V101-L105 PolarHBondContact O-N 2.9Å; G102-L105 PolarHBondContact O-N 3.27Å; E103-L105 PolarHBondContact O-N 2.99Å; L105-N107 VanDerWaalsContact C-N 3.27Å; L105-N107 PolarHBondContact O-N 3.42Å; L105-M109 HydrophobicContact CD2-CE 3.95Å; L105-M109 CarbonylContact O-C 3.3Å; L105-M109 VanDerWaalsContact O-C 3.3Å; L105-M109 WeakPolarHBondContact O-CA 3.4Å; L105-M109 PolarHBondContact O-N 3.15Å; L105-L113 HydrophobicContact CB-CD1 4.38Å; L105-L113 HydrophobicContact CB-CD2 4.05Å; L105-L113 HydrophobicContact CD1-CD1 4.46Å
106S97.4Very high96.9Very high38 Ų3837.3 Ų37.327%0.26620%0.203SC..Hα-helixtrans-66.7-32.2177.1-171.40000111.9G102 E103 Q104 P110 W166G102-S106 WeakPolarHBondContact O-CB 3.45Å; G102-S106 PolarHBondContact O-N 3.46Å; E103-S106 PolarHBondContact O-N 3.29Å; Q104-S106 VanDerWaalsContact C-N 3.33Å; Q104-S106 PolarHBondContact O-N 3.45Å; S106-P110 WeakPolarHBondContact O-CB 3.38Å; S106-W166 VanDerWaalsContact CB-CD1 3.45Å
107N95.6Very high97Very high108 Ų10836.8 Ų36.858%0.57820%0.201SC*.Hα-helixtrans-76.7-43.8177.2-68.8-27.7000112E103 Q104 L105E103-N107 VanDerWaalsContact O-CG 3.24Å; E103-N107 PolarHBondContact O-N 2.89Å; E103-N107 PolarHBondContact O-ND2 3.24Å; Q104-N107 PolarHBondContact O-N 3.16Å; L105-N107 VanDerWaalsContact C-N 3.27Å; L105-N107 PolarHBondContact O-N 3.42Å
108D96.7Very high97.1Very high80 Ų8043.2 Ų43.243%0.42823%0.225SC..Hα-helixtrans-84.1-36.6-173.1-65.9-12.3000113S64 Q104S64-D108 PolarHBondContact OG-OD2 3.13Å; Q104-D108 PolarHBondContact NE2-OD1 3.43Å; Q104-D108 VanDerWaalsContact NE2-OD1 3.1Å; Q104-D108 PolarHBondContact NE2-OD2 3.46Å; Q104-D108 PolarHBondContact O-N 3.14Å
109M97.3Very high97.1Very high33 Ų3343.6 Ų43.616%0.16323%0.228CC..  trans-143.462.3-171.5-58.1-172.2-54.500112.4S64 E65 I68 L105 D111 E112 L113S64-M109 VanDerWaalsContact C-CE 3.46Å; S64-M109 WeakPolarHBondContact O-CE 3.4Å; E65-M109 HydrophobicContact CG-SD 4.1Å; I68-M109 HydrophobicContact CB-CE 3.61Å; I68-M109 HydrophobicContact CG1-CE 4.29Å; I68-M109 HydrophobicContact CG2-CE 3.44Å; I68-M109 VanDerWaalsContact CG2-CE 3.44Å; I68-M109 HydrophobicContact CG2-SD 4.36Å; L105-M109 HydrophobicContact CD2-CE 3.95Å; L105-M109 CarbonylContact O-C 3.3Å; L105-M109 VanDerWaalsContact O-C 3.3Å; L105-M109 WeakPolarHBondContact O-CA 3.4Å; L105-M109 PolarHBondContact O-N 3.15Å; M109-D111 PolarHBondContact O-N 2.69Å; M109-E112 HydrophobicContact CB-CB 4.06Å; M109-E112 PolarHBondContact O-N 2.84Å; M109-L113 PolarHBondContact O-N 3.24Å
110P97.1Very high97.2Very high68 Ų6843.5 Ų43.544%0.44223%0.228SC..Hα-helixtrans-59.6-44.6-173.321.8-33.2000113.7S106 E112 L113 E114S106-P110 WeakPolarHBondContact O-CB 3.38Å; P110-E112 VanDerWaalsContact C-N 3.33Å; P110-E112 PolarHBondContact O-N 3.4Å; P110-L113 PolarHBondContact O-N 3.03Å; P110-E114 WeakPolarHBondContact O-CB 3.26Å; P110-E114 PolarHBondContact O-N 3.12Å
111D97.9Very high97.4Very high141 Ų14146.3 Ų46.375%0.75424%0.241SC*.Hα-helixtrans-66-38.2-178.3-66.2-39.1000112M109 E114 S115M109-D111 PolarHBondContact O-N 2.69Å; D111-E114 PolarHBondContact O-N 3.3Å; D111-S115 WeakPolarHBondContact O-CB 3.33Å; D111-S115 PolarHBondContact O-N 3.03Å
112E97.7Very high97.5Very high72 Ų7253.1 Ų53.134%0.33627%0.266SS..Hα-helixtrans-70.9-42.6179.5-162.862-133.500111.1I68 K72 M109 P110 E114 S115 F116I68-E112 HydrophobicContact CG1-CG 4.22Å; K72-E112 WeakPolarHBondContact CE-OE1 3.36Å; K72-E112 IonicContact NZ-OE1 3.41Å; K72-E112 PolarHBondContact NZ-OE1 2.73Å; M109-E112 HydrophobicContact CB-CB 4.06Å; M109-E112 PolarHBondContact O-N 2.84Å; P110-E112 VanDerWaalsContact C-N 3.33Å; P110-E112 PolarHBondContact O-N 3.4Å; E112-E114 VanDerWaalsContact C-N 3.32Å; E112-E114 PolarHBondContact O-N 3.39Å; E112-S115 PolarHBondContact O-N 3.19Å; E112-F116 VanDerWaalsContact O-CB 3.3Å; E112-F116 WeakPolarHBondContact O-CB 3.39Å; E112-F116 PolarHBondContact O-N 3.38Å
113L98Very high97.5Very high5 Ų554 Ų543%0.02627%0.269CS..Hα-helixtrans-63.2-39.2174.9-178.961.6000111.5L98 L105 M109 P110 F116 Y117 W166L98-L113 HydrophobicContact CD2-CD1 4.35Å; L105-L113 HydrophobicContact CB-CD1 4.38Å; L105-L113 HydrophobicContact CB-CD2 4.05Å; L105-L113 HydrophobicContact CD1-CD1 4.46Å; M109-L113 PolarHBondContact O-N 3.24Å; P110-L113 PolarHBondContact O-N 3.03Å; L113-F116 HydrophobicContact CD1-CD1 4.48Å; L113-F116 PolarHBondContact O-N 2.73Å; L113-Y117 WeakPolarHBondContact O-CB 3.42Å; L113-Y117 PolarHBondContact O-N 3.42Å; L113-W166 HydrophobicContact CD1-CZ2 4.35Å; L113-W166 HydrophobicContact CD2-CZ2 3.81Å; L113-W166 HydrophobicContact CG-CZ2 4.13Å
114E97.8Very high97.5Very high49 Ų4951.9 Ų51.923%0.22926%0.26CS..Hα-helixtrans-66.6-42.7176.8177.759.9-165.800111.9P110 D111 E112 F116 Y117 R118 R162P110-E114 WeakPolarHBondContact O-CB 3.26Å; P110-E114 PolarHBondContact O-N 3.12Å; D111-E114 PolarHBondContact O-N 3.3Å; E112-E114 VanDerWaalsContact C-N 3.32Å; E112-E114 PolarHBondContact O-N 3.39Å; E114-F116 VanDerWaalsContact C-N 3.35Å; E114-Y117 PolarHBondContact O-N 3.14Å; E114-R118 WeakPolarHBondContact O-CG 3.34Å; E114-R118 PolarHBondContact O-N 3.05Å; E114-R118 IonicContact OE1-CZ 3.39Å; E114-R118 IonicContact OE1-NE 2.93Å; E114-R118 PolarHBondContact OE1-NE 2.84Å; E114-R118 IonicContact OE1-NH2 2.8Å; E114-R118 PolarHBondContact OE1-NH2 3.1Å; E114-R162 IonicContact OE1-NH2 2.72Å; E114-R162 PolarHBondContact OE1-NH2 3.18Å; E114-R162 IonicContact OE2-CZ 2.66Å; E114-R162 IonicContact OE2-NE 3.08Å; E114-R162 PolarHBondContact OE2-NE 2.91Å; E114-R162 IonicContact OE2-NH2 3.59Å; E114-R162 PolarHBondContact OE2-NH2 3.38Å
115S97.9Very high97.5Very high69 Ų6955.7 Ų55.748%0.48328%0.281SS..Hα-helixtrans-60.1-45.9173.3-176.30000111.5D111 E112 R118 A119D111-S115 WeakPolarHBondContact O-CB 3.33Å; D111-S115 PolarHBondContact O-N 3.03Å; E112-S115 PolarHBondContact O-N 3.19Å; S115-R118 PolarHBondContact O-N 3.27Å; S115-A119 PolarHBondContact O-N 3.18Å
116F98.3Very high97.4Very high4 Ų462.3 Ų62.32%0.01832%0.316CS..Hα-helixtrans-60-47.5176.1-177.1-104000111.7I68 L71 K72 L75 I94 E112 L113 E114 R118 A119 L120I68-F116 HydrophobicContact CD1-CB 4.36Å; I68-F116 HydrophobicContact CD1-CD1 4.33Å; I68-F116 HydrophobicContact CD1-CD2 4.49Å; I68-F116 HydrophobicContact CD1-CG 4.16Å; L71-F116 HydrophobicContact CB-CE1 4.31Å; L71-F116 HydrophobicContact CB-CE2 4.12Å; L71-F116 HydrophobicContact CB-CZ 3.67Å; K72-F116 HydrophobicContact CG-CD2 4.01Å; K72-F116 HydrophobicContact CG-CE2 4.16Å; L75-F116 HydrophobicContact CB-CE2 3.81Å; L75-F116 HydrophobicContact CD2-CD2 3.61Å; L75-F116 HydrophobicContact CD2-CE2 3.67Å; L75-F116 HydrophobicContact CG-CE2 4.32Å; I94-F116 HydrophobicContact CD1-CZ 4Å; I94-F116 HydrophobicContact CG1-CZ 4.32Å; I94-F116 HydrophobicContact CG2-CE1 3.62Å; I94-F116 HydrophobicContact CG2-CZ 3.65Å; E112-F116 VanDerWaalsContact O-CB 3.3Å; E112-F116 WeakPolarHBondContact O-CB 3.39Å; E112-F116 PolarHBondContact O-N 3.38Å; L113-F116 HydrophobicContact CD1-CD1 4.48Å; L113-F116 PolarHBondContact O-N 2.73Å; E114-F116 VanDerWaalsContact C-N 3.35Å; F116-R118 VanDerWaalsContact C-N 3.34Å; F116-R118 PolarHBondContact O-N 2.82Å; F116-A119 WeakPolarHBondContact O-CB 3.43Å; F116-A119 PolarHBondContact O-N 2.9Å; F116-A119 VanDerWaalsContact O-N 3.1Å; F116-L120 HydrophobicContact CD1-CD1 3.99Å; F116-L120 HydrophobicContact CD1-CG 4.48Å; F116-L120 HydrophobicContact CE1-CD1 3.65Å; F116-L120 HydrophobicContact CE1-CG 4.24Å; F116-L120 HydrophobicContact CZ-CD1 4.3Å; F116-L120 HydrophobicContact CZ-CD2 4.36Å; F116-L120 WeakPolarHBondContact O-CG 3.44Å; F116-L120 PolarHBondContact O-N 3.11Å; F116-L120 VanDerWaalsContact O-N 3.13Å
117Y98.3Very high97.1Very high6 Ų661.5 Ų61.52%0.02431%0.307CS..Hα-helixtrans-58.2-42.9176.7178.1-86.9000112.2L113 E114 A119 L120 E121 W155 I158 R162 W166L113-Y117 WeakPolarHBondContact O-CB 3.42Å; L113-Y117 PolarHBondContact O-N 3.42Å; E114-Y117 PolarHBondContact O-N 3.14Å; Y117-A119 VanDerWaalsContact C-N 3.27Å; Y117-A119 PolarHBondContact O-N 2.7Å; Y117-L120 WeakPolarHBondContact O-CB 3.3Å; Y117-L120 PolarHBondContact O-N 3.31Å; Y117-E121 HydrophobicContact CE1-CB 4.48Å; Y117-E121 PolarHBondContact O-N 3.02Å; Y117-W155 AromaticContact CD2-CH2 3.98Å; Y117-W155 HydrophobicContact CD2-CH2 3.98Å; Y117-W155 HydrophobicContact CD2-CZ3 4.38Å; Y117-W155 HydrophobicContact CE1-CH2 4.04Å; Y117-W155 HydrophobicContact CE1-CZ2 4.22Å; Y117-W155 AromaticContact CE2-CH2 3.45Å; Y117-W155 HydrophobicContact CE2-CH2 3.45Å; Y117-W155 VanDerWaalsContact CE2-CH2 3.45Å; Y117-W155 HydrophobicContact CE2-CZ2 4.04Å; Y117-W155 AromaticContact CE2-CZ3 3.97Å; Y117-W155 HydrophobicContact CE2-CZ3 3.97Å; Y117-W155 HydrophobicContact CG-CH2 4.48Å; Y117-W155 AromaticContact CZ-CH2 3.47Å; Y117-W155 VanDerWaalsContact CZ-CH2 3.47Å; Y117-W155 AromaticContact CZ-CZ2 3.64Å; Y117-W155 WeakPolarHBondContact OH-CZ2 3.47Å; Y117-I158 HydrophobicContact CE2-CG2 4.47Å; Y117-R162 VanDerWaalsContact CE2-CD 3.46Å; Y117-W166 HydrophobicContact CD2-CH2 4.46Å
118R98.3Very high96.7Very high136 Ų13660.5 Ų60.551%0.51330%0.302SS..Hα-helixtrans-63.8-32.5177.1-71.7176.5-168.6173.85.4112.6E114 S115 F116 R122E114-R118 WeakPolarHBondContact O-CG 3.34Å; E114-R118 PolarHBondContact O-N 3.05Å; E114-R118 IonicContact OE1-CZ 3.39Å; E114-R118 IonicContact OE1-NE 2.93Å; E114-R118 PolarHBondContact OE1-NE 2.84Å; E114-R118 IonicContact OE1-NH2 2.8Å; E114-R118 PolarHBondContact OE1-NH2 3.1Å; S115-R118 PolarHBondContact O-N 3.27Å; F116-R118 VanDerWaalsContact C-N 3.34Å; F116-R118 PolarHBondContact O-N 2.82Å; R118-R122 WeakPolarHBondContact O-CG 3.49Å; R118-R122 PolarHBondContact O-N 2.93Å; R118-R122 VanDerWaalsContact O-N 3.11Å; R118-R122 PolarHBondContact O-NH1 2.95Å
119A98.3Very high96.3Very high8 Ų859 Ų597%0.06629%0.29CS..Hα-helixtrans-66.8-42.8174.100000111.6L75 S115 F116 Y117 E121 R122 Y123L75-A119 HydrophobicContact CD1-CB 4.05Å; L75-A119 HydrophobicContact CD2-CB 3.69Å; L75-A119 HydrophobicContact CG-CB 4.46Å; S115-A119 PolarHBondContact O-N 3.18Å; F116-A119 WeakPolarHBondContact O-CB 3.43Å; F116-A119 PolarHBondContact O-N 2.9Å; F116-A119 VanDerWaalsContact O-N 3.1Å; Y117-A119 VanDerWaalsContact C-N 3.27Å; Y117-A119 PolarHBondContact O-N 2.7Å; A119-E121 PolarHBondContact O-N 3.31Å; A119-R122 PolarHBondContact O-N 3.17Å; A119-Y123 PolarHBondContact O-N 3.42Å; A119-Y123 VanDerWaalsContact O-N 3.15Å
120L98.3Very high95.9Very high0 Ų061.4 Ų61.40%030%0.301CS..Hα-helixtrans-60.9-43.3173.5-62.1179000112.3L75 F91 I94 L98 F116 Y117 R122 Y123 E124 W155L75-L120 HydrophobicContact CD1-CD2 4.04Å; F91-L120 HydrophobicContact CD2-CD2 3.98Å; F91-L120 HydrophobicContact CE2-CB 4.03Å; F91-L120 HydrophobicContact CE2-CD2 3.92Å; F91-L120 HydrophobicContact CE2-CG 4.44Å; I94-L120 HydrophobicContact CD1-CD2 3.89Å; I94-L120 HydrophobicContact CG2-CD1 3.75Å; I94-L120 HydrophobicContact CG2-CD2 4.05Å; L98-L120 HydrophobicContact CD1-CD1 4.08Å; F116-L120 HydrophobicContact CD1-CD1 3.99Å; F116-L120 HydrophobicContact CD1-CG 4.48Å; F116-L120 HydrophobicContact CE1-CD1 3.65Å; F116-L120 HydrophobicContact CE1-CG 4.24Å; F116-L120 HydrophobicContact CZ-CD1 4.3Å; F116-L120 HydrophobicContact CZ-CD2 4.36Å; F116-L120 WeakPolarHBondContact O-CG 3.44Å; F116-L120 PolarHBondContact O-N 3.11Å; F116-L120 VanDerWaalsContact O-N 3.13Å; Y117-L120 WeakPolarHBondContact O-CB 3.3Å; Y117-L120 PolarHBondContact O-N 3.31Å; L120-R122 VanDerWaalsContact C-N 3.33Å; L120-R122 PolarHBondContact O-N 3.26Å; L120-Y123 PolarHBondContact O-N 3.39Å; L120-Y123 VanDerWaalsContact O-N 3.14Å; L120-E124 PolarHBondContact O-N 2.83Å; L120-W155 HydrophobicContact CB-CH2 4.06Å; L120-W155 HydrophobicContact CB-CZ3 3.76Å
121E98.3Very high95.5Very high65 Ų6560.9 Ų60.930%0.30429%0.294SS..Hα-helixtrans-63-38.9178.3-174169.9-12100112Y117 A119 Y123 E124 N125 W155Y117-E121 HydrophobicContact CE1-CB 4.48Å; Y117-E121 PolarHBondContact O-N 3.02Å; A119-E121 PolarHBondContact O-N 3.31Å; E121-Y123 VanDerWaalsContact C-N 3.33Å; E121-Y123 PolarHBondContact O-N 3.25Å; E121-E124 PolarHBondContact O-N 2.85Å; E121-N125 PolarHBondContact O-N 3.02Å; E121-N125 PolarHBondContact O-ND2 2.89Å; E121-W155 HydrophobicContact CB-CH2 3.78Å; E121-W155 HydrophobicContact CB-CZ2 3.57Å; E121-W155 HydrophobicContact CG-CZ2 3.81Å
122R97.9Very high95.1Very high143 Ų14354.3 Ų54.354%0.5426%0.259SS..Hα-helixtrans-59.8-45172.9-73.8-171.4-58.7-917.7111.2R118 A119 L120 N125 L126R118-R122 WeakPolarHBondContact O-CG 3.49Å; R118-R122 PolarHBondContact O-N 2.93Å; R118-R122 VanDerWaalsContact O-N 3.11Å; R118-R122 PolarHBondContact O-NH1 2.95Å; A119-R122 PolarHBondContact O-N 3.17Å; L120-R122 VanDerWaalsContact C-N 3.33Å; L120-R122 PolarHBondContact O-N 3.26Å; R122-N125 PolarHBondContact O-N 3.46Å; R122-L126 WeakPolarHBondContact O-CG 3.17Å; R122-L126 PolarHBondContact O-N 3.24Å
123Y97.1Very high94.9Very high19 Ų1951 Ų518%0.07524%0.244CC..Hα-helixtrans-63.4-48.3178.6-179.7-112.3000112I78 R87 D88 F91 A119 L120 E121 N125 L126 R127I78-Y123 HydrophobicContact CG2-CD1 3.66Å; I78-Y123 HydrophobicContact CG2-CD2 3.33Å; I78-Y123 HydrophobicContact CG2-CE1 4.04Å; I78-Y123 HydrophobicContact CG2-CE2 3.74Å; I78-Y123 HydrophobicContact CG2-CG 3.3Å; R87-Y123 HydrophobicContact CB-CE1 4.48Å; R87-Y123 HydrophobicContact CB-CE2 3.85Å; R87-Y123 WeakPolarHBondContact CB-OH 2.98Å; D88-Y123 PolarHBondContact N-OH 2.9Å; D88-Y123 WeakPolarHBondContact OD1-CE1 3.11Å; D88-Y123 PolarHBondContact OD1-OH 3.34Å; F91-Y123 HydrophobicContact CB-CD1 4.15Å; F91-Y123 HydrophobicContact CB-CE1 3.82Å; F91-Y123 AromaticContact CD1-CD1 3.89Å; F91-Y123 HydrophobicContact CD1-CD1 3.89Å; F91-Y123 AromaticContact CD1-CE1 3.83Å; F91-Y123 HydrophobicContact CD1-CE1 3.83Å; F91-Y123 AromaticContact CD2-CD1 3.98Å; F91-Y123 HydrophobicContact CD2-CD1 3.98Å; F91-Y123 HydrophobicContact CD2-CE1 4.49Å; F91-Y123 HydrophobicContact CE1-CD1 4.25Å; F91-Y123 HydrophobicContact CE2-CD1 4.35Å; F91-Y123 AromaticContact CG-CD1 3.75Å; F91-Y123 HydrophobicContact CG-CD1 3.75Å; F91-Y123 AromaticContact CG-CE1 3.81Å; F91-Y123 HydrophobicContact CG-CE1 3.81Å; F91-Y123 HydrophobicContact CZ-CD1 4.47Å; A119-Y123 PolarHBondContact O-N 3.42Å; A119-Y123 VanDerWaalsContact O-N 3.15Å; L120-Y123 PolarHBondContact O-N 3.39Å; L120-Y123 VanDerWaalsContact O-N 3.14Å; E121-Y123 VanDerWaalsContact C-N 3.33Å; E121-Y123 PolarHBondContact O-N 3.25Å; Y123-N125 PolarHBondContact O-N 3.32Å; Y123-N125 VanDerWaalsContact O-N 3.17Å; Y123-L126 WeakPolarHBondContact O-CB 3.38Å; Y123-L126 PolarHBondContact O-N 3.46Å; Y123-R127 HydrophobicContact CD1-CG 4.31Å; Y123-R127 HydrophobicContact CE1-CG 3.82Å; Y123-R127 HydrophobicContact CE2-CG 4.29Å; Y123-R127 PolarHBondContact O-N 3.39Å
124E96.6Very high94.7Very high7 Ų756.7 Ų56.73%0.03327%0.265CS..Hα-helixtrans-57.6-33179.7172.461.2-174.200113.3F91 L120 E121 L126 R127 R129 S152 W155F91-E124 HydrophobicContact CE1-CB 4.31Å; F91-E124 HydrophobicContact CZ-CB 4.01Å; L120-E124 PolarHBondContact O-N 2.83Å; E121-E124 PolarHBondContact O-N 2.85Å; E124-L126 VanDerWaalsContact C-N 3.33Å; E124-R127 IonicContact OE1-NH1 3.31Å; E124-R127 VanDerWaalsContact OE2-CD 3.31Å; E124-R127 WeakPolarHBondContact OE2-CD 3.47Å; E124-R127 IonicContact OE2-CZ 3.58Å; E124-R127 IonicContact OE2-NE 3.79Å; E124-R127 IonicContact OE2-NH1 2.71Å; E124-R127 PolarHBondContact OE2-NH1 3.12Å; E124-R129 PolarHBondContact O-NH1 2.72Å; E124-R129 PolarHBondContact O-NH2 3.39Å; E124-R129 IonicContact OE1-CZ 3Å; E124-R129 VanDerWaalsContact OE1-CZ 3.29Å; E124-R129 IonicContact OE1-NH1 3.42Å; E124-R129 PolarHBondContact OE1-NH1 3.36Å; E124-R129 IonicContact OE1-NH2 2.6Å; E124-R129 IonicContact OE2-NH1 3.62Å; E124-R129 PolarHBondContact OE2-NH1 2.71Å; E124-R129 VanDerWaalsContact OE2-NH1 3.1Å; E124-S152 WeakPolarHBondContact OE1-CA 3.43Å; E124-S152 WeakPolarHBondContact OE1-CB 3.41Å; E124-S152 PolarHBondContact OE1-OG 2.89Å; E124-W155 HydrophobicContact CB-CD2 4.32Å; E124-W155 HydrophobicContact CB-CG 4.43Å; E124-W155 HydrophobicContact CG-CB 4.26Å; E124-W155 HydrophobicContact CG-CD2 4.1Å; E124-W155 HydrophobicContact CG-CG 3.72Å
125N96.2Very high94.4Very high117 Ų11754.5 Ų54.563%0.62626%0.255SS*.Hα-helixtrans-75.6-18.1176.2-71.6-40.5000113.9E121 R122 Y123E121-N125 PolarHBondContact O-N 3.02Å; E121-N125 PolarHBondContact O-ND2 2.89Å; R122-N125 PolarHBondContact O-N 3.46Å; Y123-N125 PolarHBondContact O-N 3.32Å; Y123-N125 VanDerWaalsContact O-N 3.17Å
126L94.3Very high94.2Very high141 Ų14151.3 Ų51.374%0.73823%0.232SC*.Hα-helixtrans-91.1-15.1179-70170.4000113.6R122 Y123 E124R122-L126 WeakPolarHBondContact O-CG 3.17Å; R122-L126 PolarHBondContact O-N 3.24Å; Y123-L126 WeakPolarHBondContact O-CB 3.38Å; Y123-L126 PolarHBondContact O-N 3.46Å; E124-L126 VanDerWaalsContact C-N 3.33Å
127R92.3Very high94.1Very high21 Ų2152.1 Ų52.18%0.07924%0.236CC..  trans-70.2130-175-68.3171.370.5-121.6-9.3112.1D88 Y123 E124 R129 Y132 E149 S152D88-R127 IonicContact OD1-CZ 3.86Å; D88-R127 IonicContact OD1-NE 2.82Å; D88-R127 PolarHBondContact OD1-NE 2.97Å; D88-R127 IonicContact OD1-NH2 3.4Å; D88-R127 IonicContact OD2-CZ 3.5Å; D88-R127 IonicContact OD2-NE 3.63Å; D88-R127 PolarHBondContact OD2-NE 2.78Å; D88-R127 IonicContact OD2-NH2 2.69Å; D88-R127 PolarHBondContact OD2-NH2 3.27Å; Y123-R127 HydrophobicContact CD1-CG 4.31Å; Y123-R127 HydrophobicContact CE1-CG 3.82Å; Y123-R127 HydrophobicContact CE2-CG 4.29Å; Y123-R127 PolarHBondContact O-N 3.39Å; E124-R127 IonicContact OE1-NH1 3.31Å; E124-R127 VanDerWaalsContact OE2-CD 3.31Å; E124-R127 WeakPolarHBondContact OE2-CD 3.47Å; E124-R127 IonicContact OE2-CZ 3.58Å; E124-R127 IonicContact OE2-NE 3.79Å; E124-R127 IonicContact OE2-NH1 2.71Å; E124-R127 PolarHBondContact OE2-NH1 3.12Å; R127-R129 PolarHBondContact O-N 3.32Å; R127-Y132 PolarHBondContact NH2-OH 2.66Å; R127-Y132 VanDerWaalsContact NH2-OH 3.09Å; R127-E149 IonicContact CZ-OE2 3.8Å; R127-E149 IonicContact NH1-OE2 3.91Å; R127-E149 PolarHBondContact NH1-OE2 3.08Å; R127-E149 IonicContact NH2-OE1 2.69Å; R127-E149 PolarHBondContact NH2-OE1 3.01Å; R127-E149 VanDerWaalsContact NH2-OE1 3.13Å; R127-E149 IonicContact NH2-OE2 2.86Å; R127-E149 PolarHBondContact NH2-OE2 3.33Å; R127-S152 PolarHBondContact NH1-OG 2.95Å
128D86.2Confident94Very high87 Ų8752 Ų5247%0.46524%0.236SC..  trans-87.288.7169179.616.7000110.7N131 Y132D128-N131 PolarHBondContact OD1-ND2 2.97Å; D128-N131 PolarHBondContact OD2-ND2 2.92Å; D128-Y132 WeakPolarHBondContact O-CD1 3.37Å; D128-Y132 WeakPolarHBondContact O-CE1 3.49Å
129R88.2Confident94Very high49 Ų4945.8 Ų45.819%0.18521%0.213CC..  trans-94.5-31.3-177.256.2-176.7142.4-101-5.3115E124 R127 N131 Y132 L133 E149 S152E124-R129 PolarHBondContact O-NH1 2.72Å; E124-R129 PolarHBondContact O-NH2 3.39Å; E124-R129 IonicContact OE1-CZ 3Å; E124-R129 VanDerWaalsContact OE1-CZ 3.29Å; E124-R129 IonicContact OE1-NH1 3.42Å; E124-R129 PolarHBondContact OE1-NH1 3.36Å; E124-R129 IonicContact OE1-NH2 2.6Å; E124-R129 IonicContact OE2-NH1 3.62Å; E124-R129 PolarHBondContact OE2-NH1 2.71Å; E124-R129 VanDerWaalsContact OE2-NH1 3.1Å; R127-R129 PolarHBondContact O-N 3.32Å; R129-N131 PolarHBondContact O-N 2.73Å; R129-Y132 VanDerWaalsContact CA-CE1 3.5Å; R129-Y132 HydrophobicContact CB-CE1 4.29Å; R129-L133 WeakPolarHBondContact O-CB 3.34Å; R129-L133 PolarHBondContact O-N 2.78Å; R129-L133 VanDerWaalsContact O-N 3.08Å; R129-E149 HydrophobicContact CB-CB 4.25Å; R129-E149 HydrophobicContact CB-CG 4.05Å; R129-S152 WeakPolarHBondContact CD-OG 3.36Å; R129-S152 PolarHBondContact NE-OG 3.17Å; R129-S152 VanDerWaalsContact NE-OG 3.17Å; R129-S152 PolarHBondContact NH1-OG 3.3Å
130E89.1Confident93.8Very high83 Ų8349.4 Ų49.439%0.38823%0.234SC..Hα-helixtrans-69.7-35.1-169.7-67.8-67.4163.600111.9R134 R146E130-R134 WeakPolarHBondContact O-CG 3.43Å; E130-R146 VanDerWaalsContact CD-NH2 3.33Å; E130-R146 IonicContact OE1-CZ 3.23Å; E130-R146 IonicContact OE1-NH2 3.19Å; E130-R146 PolarHBondContact OE1-NH2 3.15Å; E130-R146 IonicContact OE2-NH2 3.18Å; E130-R146 PolarHBondContact OE2-NH2 2.91Å; E130-R146 VanDerWaalsContact OE2-NH2 3.16Å
131N88.2Confident93.7Very high56 Ų5651.4 Ų51.430%0.29925%0.248SC..Hα-helixtrans-65.8-51.3-177.3-73.3-28.3000111.8D128 R129 W688 A691D128-N131 PolarHBondContact OD1-ND2 2.97Å; D128-N131 PolarHBondContact OD2-ND2 2.92Å; R129-N131 PolarHBondContact O-N 2.73Å; N131-W688 WeakPolarHBondContact O-CB 3.13Å; N131-W688 VanDerWaalsContact O-CG 3.29Å; N131-A691 HydrophobicContact CB-CB 3.88Å
132Y89.8Confident93.5Very high3 Ų352.8 Ų52.81%0.01226%0.258CS..Hα-helixtrans-78-26-179.670.7-104.9000113.2R127 D128 R129 R134 L135 I136 E149 R207 F692R127-Y132 PolarHBondContact NH2-OH 2.66Å; R127-Y132 VanDerWaalsContact NH2-OH 3.09Å; D128-Y132 WeakPolarHBondContact O-CD1 3.37Å; D128-Y132 WeakPolarHBondContact O-CE1 3.49Å; R129-Y132 VanDerWaalsContact CA-CE1 3.5Å; R129-Y132 HydrophobicContact CB-CE1 4.29Å; Y132-R134 PolarHBondContact O-N 3.03Å; Y132-L135 WeakPolarHBondContact O-CB 3.4Å; Y132-L135 PolarHBondContact O-N 3.35Å; Y132-I136 HydrophobicContact CD2-CD1 3.9Å; Y132-I136 HydrophobicContact CE2-CD1 4.1Å; Y132-E149 HydrophobicContact CE2-CG 3.85Å; Y132-E149 VanDerWaalsContact OH-CD 3.31Å; Y132-E149 VanDerWaalsContact OH-CG 3.24Å; Y132-E149 WeakPolarHBondContact OH-CG 3.37Å; Y132-E149 PolarHBondContact OH-OE1 3.22Å; Y132-R207 HydrophobicContact CD2-CB 4.41Å; Y132-R207 HydrophobicContact CD2-CG 4.26Å; Y132-R207 HydrophobicContact CE2-CB 4.16Å; Y132-R207 HydrophobicContact CE2-CG 3.85Å; Y132-F692 HydrophobicContact CD2-CD2 4.38Å
133L93.7Very high93.3Very high4 Ų454.3 Ų54.32%0.02127%0.268CS..Hα-helixtrans-58.1-34.5177.2-179.761.7000111.5R129 L135 I136 Q137 E149R129-L133 WeakPolarHBondContact O-CB 3.34Å; R129-L133 PolarHBondContact O-N 2.78Å; R129-L133 VanDerWaalsContact O-N 3.08Å; L133-L135 PolarHBondContact O-N 3.09Å; L133-L135 VanDerWaalsContact O-N 3.16Å; L133-I136 HydrophobicContact CD1-CG1 4.3Å; L133-I136 PolarHBondContact O-N 3.47Å; L133-Q137 HydrophobicContact CD1-CB 4.39Å; L133-Q137 WeakPolarHBondContact O-CB 3.45Å; L133-Q137 WeakPolarHBondContact O-CG 3.33Å; L133-Q137 PolarHBondContact O-N 3.05Å; L133-E149 HydrophobicContact CD1-CB 4.29Å; L133-E149 HydrophobicContact CD2-CB 4.3Å
134R93.2Very high93.2Very high124 Ų12456.9 Ų56.947%0.46829%0.287SS..Hα-helixtrans-56.9-30.1176.3-70.5174.3-178.3-147.10.5113.8E130 Y132 W688E130-R134 WeakPolarHBondContact O-CG 3.43Å; Y132-R134 PolarHBondContact O-N 3.03Å; R134-W688 HydrophobicContact CB-CD2 4.04Å; R134-W688 HydrophobicContact CB-CE3 3.94Å; R134-W688 HydrophobicContact CB-CH2 4.46Å; R134-W688 HydrophobicContact CB-CZ3 4.15Å
135L92.7Very high93Very high2 Ų258.4 Ų58.41%0.0129%0.294CS..Hα-helixtrans-81.1-29.2177.8-77-179.9000113.4Y132 L133 C652 T656 W688 F689 F692Y132-L135 WeakPolarHBondContact O-CB 3.4Å; Y132-L135 PolarHBondContact O-N 3.35Å; L133-L135 PolarHBondContact O-N 3.09Å; L133-L135 VanDerWaalsContact O-N 3.16Å; L135-C652 HydrophobicContact CD2-CB 3.81Å; L135-T656 HydrophobicContact CB-CG2 3.59Å; L135-T656 HydrophobicContact CD1-CG2 4.16Å; L135-T656 HydrophobicContact CD2-CG2 4.14Å; L135-T656 HydrophobicContact CG-CG2 4.18Å; L135-W688 VanDerWaalsContact CD1-C 3.42Å; L135-W688 HydrophobicContact CD1-CB 3.61Å; L135-W688 HydrophobicContact CD2-CB 4.38Å; L135-W688 HydrophobicContact CD2-CE3 3.92Å; L135-W688 HydrophobicContact CG-CB 3.65Å; L135-W688 HydrophobicContact CG-CE3 4.12Å; L135-F689 HydrophobicContact CD1-CB 4.19Å; L135-F692 HydrophobicContact CD1-CB 4.43Å
136I93.1Very high93Very high2 Ų257.3 Ų57.31%0.0128%0.281CS..Hα-helixtrans-114.4-1.6-168.264.9171.8000114.7Y132 L133 R207 L285 T656 F692Y132-I136 HydrophobicContact CD2-CD1 3.9Å; Y132-I136 HydrophobicContact CE2-CD1 4.1Å; L133-I136 HydrophobicContact CD1-CG1 4.3Å; L133-I136 PolarHBondContact O-N 3.47Å; I136-R207 HydrophobicContact CD1-CB 4.09Å; I136-L285 HydrophobicContact CB-CB 4.11Å; I136-L285 HydrophobicContact CG2-CB 4.35Å; I136-T656 HydrophobicContact CG2-CG2 4.48Å; I136-F692 HydrophobicContact CD1-CE2 4.49Å; I136-F692 HydrophobicContact CG2-CD2 4.03Å; I136-F692 HydrophobicContact CG2-CE2 3.63Å; I136-F692 HydrophobicContact CG2-CZ 4.33Å
137Q95.5Very high93.1Very high21 Ų2150.6 Ų50.610%0.09825%0.246CC..  trans-73.1138.6172.463.5-172.6-10.700111.5L133 W139 T140 Q147L133-Q137 HydrophobicContact CD1-CB 4.39Å; L133-Q137 WeakPolarHBondContact O-CB 3.45Å; L133-Q137 WeakPolarHBondContact O-CG 3.33Å; L133-Q137 PolarHBondContact O-N 3.05Å; Q137-W139 PolarHBondContact OE1-O 3.37Å; Q137-T140 HydrophobicContact CG-CG2 4.35Å; Q137-Q147 HydrophobicContact CB-CB 4.01Å
138V97.7Very high93.2Very high5 Ų550.8 Ų50.83%0.0325%0.248CC..SBendtrans-71.5-40.2176.4176.70000111F211 F283 M328 N329 C332V138-F211 HydrophobicContact CB-CD2 4.22Å; V138-F211 HydrophobicContact CB-CE2 4.41Å; V138-F211 HydrophobicContact CG1-CD2 4.36Å; V138-F211 HydrophobicContact CG1-CE2 4.06Å; V138-F211 HydrophobicContact CG2-CD2 3.92Å; V138-F211 HydrophobicContact CG2-CE2 4.39Å; V138-F283 HydrophobicContact CG1-CB 4.25Å; V138-F283 HydrophobicContact CG2-CB 3.9Å; V138-M328 HydrophobicContact CG1-CE 4.01Å; V138-M328 HydrophobicContact CG1-CG 4.3Å; V138-M328 CarbonylContact O-C 3.27Å; V138-M328 VanDerWaalsContact O-CA 3.24Å; V138-M328 WeakPolarHBondContact O-CA 3.37Å; V138-N329 PolarHBondContact O-N 2.98Å; V138-C332 HydrophobicContact CG1-CB 4.13Å
139W97.7Very high93.7Very high5 Ų546.9 Ų46.92%0.01923%0.227CC..BIsolated β-bridgetrans-120.2134.3172.8-66.3-75.9000110.2Q137 S141 Q147 F211 R212 M213 L321 R324 S327 M328Q137-W139 PolarHBondContact OE1-O 3.37Å; W139-S141 VanDerWaalsContact C-N 3.3Å; W139-Q147 HydrophobicContact CB-CG 4.2Å; W139-Q147 HydrophobicContact CE3-CG 4.16Å; W139-F211 HydrophobicContact CE3-CE2 4.34Å; W139-F211 HydrophobicContact CH2-CD2 4.42Å; W139-F211 AromaticContact CH2-CE2 3.42Å; W139-F211 HydrophobicContact CH2-CE2 3.42Å; W139-F211 VanDerWaalsContact CH2-CE2 3.42Å; W139-F211 AromaticContact CH2-CZ 3.56Å; W139-F211 HydrophobicContact CH2-CZ 3.56Å; W139-F211 HydrophobicContact CZ2-CE2 4.49Å; W139-F211 AromaticContact CZ3-CD2 3.9Å; W139-F211 HydrophobicContact CZ3-CD2 3.9Å; W139-F211 AromaticContact CZ3-CE2 3.32Å; W139-F211 HydrophobicContact CZ3-CE2 3.32Å; W139-F211 AromaticContact CZ3-CZ 3.79Å; W139-F211 HydrophobicContact CZ3-CZ 3.79Å; W139-R212 WeakPolarHBondContact CZ3-O 3.38Å; W139-M213 HydrophobicContact CH2-CB 3.86Å; W139-M213 HydrophobicContact CZ3-CB 4.17Å; W139-L321 HydrophobicContact CH2-CD2 3.91Å; W139-L321 HydrophobicContact CZ2-CD2 3.7Å; W139-R324 VanDerWaalsContact CD1-O 3.23Å; W139-R324 HydrophobicContact CZ2-CB 4.33Å; W139-R324 VanDerWaalsContact NE1-CB 3.34Å; W139-R324 PolarHBondContact NE1-O 3.08Å; W139-R324 VanDerWaalsContact NE1-O 3.16Å; W139-S327 CarbonylContact C-O 3.13Å; W139-S327 VanDerWaalsContact CA-O 3.31Å; W139-S327 WeakPolarHBondContact CA-O 3.5Å; W139-M328 HydrophobicContact CH2-CE 4.41Å; W139-M328 HydrophobicContact CZ2-CE 3.45Å; W139-M328 VanDerWaalsContact CZ2-CE 3.45Å
140T94.4Very high94Very high84 Ų8445.5 Ų45.552%0.51522%0.222SC..SBendtrans-80.9-12.6174.561.90000113.4Q137 S327Q137-T140 HydrophobicContact CG-CG2 4.35Å; T140-S327 PolarHBondContact N-O 3.38Å; T140-S327 WeakPolarHBondContact OG1-CB 3.33Å; T140-S327 PolarHBondContact OG1-O 3.06Å
141S95.1Very high94.3Very high42 Ų4241.8 Ų41.829%0.29421%0.205SC..  trans-84.4132.2175.4172.80000110.6W139 K143 S327W139-S141 VanDerWaalsContact C-N 3.3Å; S141-K143 PolarHBondContact O-N 2.88Å; S141-K143 PolarHBondContact OG-N 3.44Å; S141-K143 PolarHBondContact OG-O 2.61Å; S141-S327 WeakPolarHBondContact CB-OG 3.42Å
142D94.5Very high94.7Very high94 Ų9439.8 Ų39.850%0.50320%0.195SC..  trans-71.5-11.3170.3-70-30.4000113.3H145 R146D142-H145 CarbonylContact O-C 3.29Å; D142-H145 VanDerWaalsContact O-C 3.27Å; D142-R146 HydrophobicContact CB-CB 4.19Å; D142-R146 PolarHBondContact O-N 2.9Å; D142-R146 VanDerWaalsContact OD1-CD 3.25Å; D142-R146 WeakPolarHBondContact OD1-CD 3.47Å; D142-R146 WeakPolarHBondContact OD1-CG 3.25Å; D142-R146 IonicContact OD1-NE 2.86Å; D142-R146 PolarHBondContact OD1-NE 2.7Å
143K94.3Very high95Very high174 Ų17439.8 Ų39.876%0.75720%0.196SC*.SBendtrans-109.4140-178.7-64.3-175.8-178.6179.90111.8S141 H145S141-K143 PolarHBondContact O-N 2.88Å; S141-K143 PolarHBondContact OG-N 3.44Å; S141-K143 PolarHBondContact OG-O 2.61Å; K143-H145 VanDerWaalsContact C-N 3.33Å
144P93.9Very high95.2Very high73 Ų7339.6 Ų39.647%0.47420%0.195SC..SBendcis-77-17.7-7.230.4-32.1000113
145H93.6Very high95.4Very high40 Ų4034.2 Ų34.219%0.18517%0.174CC..  trans-126.5118.8179-53.7-56.4000111.4D142 K143 Q147 R212 M213D142-H145 CarbonylContact O-C 3.29Å; D142-H145 VanDerWaalsContact O-C 3.27Å; K143-H145 VanDerWaalsContact C-N 3.33Å; H145-Q147 PolarHBondContact O-N 2.85Å; H145-Q147 PolarHBondContact O-NE2 3.08Å; H145-R212 HydrophobicContact CB-CB 3.96Å; H145-M213 PolarHBondContact CD2-O 2.98Å; H145-M213 VanDerWaalsContact CD2-O 3.29Å; H145-M213 PolarHBondContact NE2-O 3.16Å
146R94.9Very high95.7Very high93 Ų9337.3 Ų37.335%0.35119%0.19SC..  trans-63.9131.1168.5-179.7165.5-169.3-157.6-3.8110.3E130 D142 E148E130-R146 VanDerWaalsContact CD-NH2 3.33Å; E130-R146 IonicContact OE1-CZ 3.23Å; E130-R146 IonicContact OE1-NH2 3.19Å; E130-R146 PolarHBondContact OE1-NH2 3.15Å; E130-R146 IonicContact OE2-NH2 3.18Å; E130-R146 PolarHBondContact OE2-NH2 2.91Å; E130-R146 VanDerWaalsContact OE2-NH2 3.16Å; D142-R146 HydrophobicContact CB-CB 4.19Å; D142-R146 PolarHBondContact O-N 2.9Å; D142-R146 VanDerWaalsContact OD1-CD 3.25Å; D142-R146 WeakPolarHBondContact OD1-CD 3.47Å; D142-R146 WeakPolarHBondContact OD1-CG 3.25Å; D142-R146 IonicContact OD1-NE 2.86Å; D142-R146 PolarHBondContact OD1-NE 2.7Å; R146-E148 HydrophobicContact CG-CG 4.26Å; R146-E148 PolarHBondContact O-N 2.65Å
147Q96.1Very high96Very high1 Ų137.4 Ų37.41%0.00519%0.191CC..  trans-83.696.8173.2-54.1-55-71.100108.1Q137 W139 H145 S209 V210 R212Q137-Q147 HydrophobicContact CB-CB 4.01Å; W139-Q147 HydrophobicContact CB-CG 4.2Å; W139-Q147 HydrophobicContact CE3-CG 4.16Å; H145-Q147 PolarHBondContact O-N 2.85Å; H145-Q147 PolarHBondContact O-NE2 3.08Å; Q147-S209 WeakPolarHBondContact CB-OG 3.26Å; Q147-V210 PolarHBondContact OE1-O 3.41Å; Q147-R212 PolarHBondContact NE2-O 3.08Å
148E96.1Very high96.1Very high25 Ų2536.4 Ų36.412%0.11719%0.186CC..EExtended strand (participates in β ladder)trans-77.5153.8-174-65.2177.3-136.500111.4R146 C153 S209 V210 K229 H230R146-E148 HydrophobicContact CG-CG 4.26Å; R146-E148 PolarHBondContact O-N 2.65Å; E148-C153 HydrophobicContact CB-CB 4.05Å; E148-S209 CarbonylContact O-C 3.56Å; E148-S209 WeakPolarHBondContact O-CA 3.38Å; E148-S209 PolarHBondContact O-OG 2.89Å; E148-V210 PolarHBondContact O-N 3.4Å; E148-K229 IonicContact OE1-NZ 2.63Å; E148-K229 PolarHBondContact OE1-NZ 3.29Å; E148-H230 VanDerWaalsContact CD-NE2 3.33Å; E148-H230 IonicContact OE1-CE1 3.54Å; E148-H230 IonicContact OE1-NE2 3.74Å; E148-H230 PolarHBondContact OE1-NE2 3.25Å; E148-H230 VanDerWaalsContact OE1-NE2 3.08Å; E148-H230 IonicContact OE2-CD2 2.62Å; E148-H230 IonicContact OE2-CE1 3Å; E148-H230 IonicContact OE2-NE2 3.73Å; E148-H230 PolarHBondContact OE2-NE2 2.85Å
149E95.4Very high96.1Very high4 Ų440.6 Ų40.62%0.01920%0.204CC..EExtended strand (participates in β ladder)trans-67.9136.8168-170-83.7138.600109.6R127 R129 Y132 L133 L151 S152 C153R127-E149 IonicContact CZ-OE2 3.8Å; R127-E149 IonicContact NH1-OE2 3.91Å; R127-E149 PolarHBondContact NH1-OE2 3.08Å; R127-E149 IonicContact NH2-OE1 2.69Å; R127-E149 PolarHBondContact NH2-OE1 3.01Å; R127-E149 VanDerWaalsContact NH2-OE1 3.13Å; R127-E149 IonicContact NH2-OE2 2.86Å; R127-E149 PolarHBondContact NH2-OE2 3.33Å; R129-E149 HydrophobicContact CB-CB 4.25Å; R129-E149 HydrophobicContact CB-CG 4.05Å; Y132-E149 HydrophobicContact CE2-CG 3.85Å; Y132-E149 VanDerWaalsContact OH-CD 3.31Å; Y132-E149 VanDerWaalsContact OH-CG 3.24Å; Y132-E149 WeakPolarHBondContact OH-CG 3.37Å; Y132-E149 PolarHBondContact OH-OE1 3.22Å; L133-E149 HydrophobicContact CD1-CB 4.29Å; L133-E149 HydrophobicContact CD2-CB 4.3Å; E149-L151 VanDerWaalsContact CD-N 3.28Å; E149-L151 PolarHBondContact O-N 3.06Å; E149-L151 WeakPolarHBondContact OE1-CB 3.45Å; E149-L151 PolarHBondContact OE1-N 3.08Å; E149-L151 WeakPolarHBondContact OE2-CB 3.25Å; E149-L151 PolarHBondContact OE2-N 3.19Å; E149-S152 PolarHBondContact O-N 3.48Å; E149-S152 PolarHBondContact OE2-N 2.97Å; E149-S152 PolarHBondContact OE2-OG 3.33Å; E149-C153 WeakPolarHBondContact O-CB 3.27Å; E149-C153 PolarHBondContact O-N 3.12Å
150F95.1Very high96.1Very high21 Ų2142.4 Ų42.49%0.09222%0.22CC..Hα-helixtrans-56.2-49.9-170.7170.7-97.3000113.7C153 L154 M208 V210 F235F150-C153 PolarHBondContact O-N 3.49Å; F150-L154 HydrophobicContact CE1-CD2 4.08Å; F150-L154 HydrophobicContact CZ-CB 4.41Å; F150-L154 HydrophobicContact CZ-CD2 3.83Å; F150-L154 WeakPolarHBondContact O-CB 3.49Å; F150-L154 PolarHBondContact O-N 3.15Å; F150-M208 HydrophobicContact CB-CB 3.88Å; F150-M208 HydrophobicContact CB-CE 4.22Å; F150-M208 VanDerWaalsContact CB-O 3.27Å; F150-M208 WeakPolarHBondContact CB-O 3.32Å; F150-M208 HydrophobicContact CD1-CE 3.6Å; F150-M208 HydrophobicContact CD2-CE 3.99Å; F150-M208 HydrophobicContact CE1-CE 4.03Å; F150-M208 HydrophobicContact CE2-CE 4.37Å; F150-M208 HydrophobicContact CG-CB 4.47Å; F150-M208 HydrophobicContact CG-CE 3.63Å; F150-M208 HydrophobicContact CZ-CE 4.42Å; F150-M208 PolarHBondContact N-O 3.29Å; F150-V210 HydrophobicContact CB-CG2 4.25Å; F150-V210 HydrophobicContact CD2-CG2 4.25Å; F150-F235 HydrophobicContact CE2-CE2 4.1Å; F150-F235 HydrophobicContact CZ-CE2 4.01Å
151L95.6Very high96.2Very high4 Ų438.6 Ų38.62%0.02120%0.196CC..Hα-helixtrans-69.2-35.2-176.8-66.5172.4000111.8D88 F91 L95 E149 L154 W155D88-L151 HydrophobicContact CB-CD1 3.71Å; F91-L151 HydrophobicContact CD1-CB 4.36Å; F91-L151 HydrophobicContact CD1-CD1 4.27Å; F91-L151 HydrophobicContact CE1-CB 4.47Å; L95-L151 HydrophobicContact CD1-CD2 4.35Å; E149-L151 VanDerWaalsContact CD-N 3.28Å; E149-L151 PolarHBondContact O-N 3.06Å; E149-L151 WeakPolarHBondContact OE1-CB 3.45Å; E149-L151 PolarHBondContact OE1-N 3.08Å; E149-L151 WeakPolarHBondContact OE2-CB 3.25Å; E149-L151 PolarHBondContact OE2-N 3.19Å; L151-L154 PolarHBondContact O-N 3.2Å; L151-W155 VanDerWaalsContact O-CB 3.32Å; L151-W155 WeakPolarHBondContact O-CB 3.19Å; L151-W155 PolarHBondContact O-N 3.06Å
152S95.9Very high96.4Very high14 Ų1440.3 Ų40.310%0.09820%0.196CC..Hα-helixtrans-68.1-40.1173.7-71.30000113.3E124 R127 R129 E149 W155 L156E124-S152 WeakPolarHBondContact OE1-CA 3.43Å; E124-S152 WeakPolarHBondContact OE1-CB 3.41Å; E124-S152 PolarHBondContact OE1-OG 2.89Å; R127-S152 PolarHBondContact NH1-OG 2.95Å; R129-S152 WeakPolarHBondContact CD-OG 3.36Å; R129-S152 PolarHBondContact NE-OG 3.17Å; R129-S152 VanDerWaalsContact NE-OG 3.17Å; R129-S152 PolarHBondContact NH1-OG 3.3Å; E149-S152 PolarHBondContact O-N 3.48Å; E149-S152 PolarHBondContact OE2-N 2.97Å; E149-S152 PolarHBondContact OE2-OG 3.33Å; S152-W155 WeakPolarHBondContact O-CB 3.38Å; S152-W155 PolarHBondContact O-N 3.46Å; S152-L156 WeakPolarHBondContact O-CG 3.22Å; S152-L156 PolarHBondContact O-N 3.33Å
153C97.1Very high96.5Very high3 Ų341 Ų412%0.0220%0.204CC..Hα-helixtrans-63-45.1173.4-174.40000110.6E148 E149 F150 W155 L156 Q157 V210E148-C153 HydrophobicContact CB-CB 4.05Å; E149-C153 WeakPolarHBondContact O-CB 3.27Å; E149-C153 PolarHBondContact O-N 3.12Å; F150-C153 PolarHBondContact O-N 3.49Å; C153-W155 VanDerWaalsContact C-N 3.32Å; C153-W155 PolarHBondContact O-N 3.46Å; C153-L156 PolarHBondContact O-N 3.24Å; C153-Q157 WeakPolarHBondContact O-CG 3.38Å; C153-Q157 PolarHBondContact O-N 2.77Å; C153-V210 HydrophobicContact CB-CG2 3.66Å
154L97.7Very high96.5Very high0 Ų037 Ų370%019%0.191CC..Hα-helixtrans-63.8-37.4176-17758.2000112.2L95 R96 F150 L151 L156 Q157 I158 I232 F235L95-L154 HydrophobicContact CB-CD2 3.48Å; L95-L154 VanDerWaalsContact CB-CD2 3.48Å; L95-L154 HydrophobicContact CB-CG 3.87Å; L95-L154 HydrophobicContact CD1-CB 4.32Å; L95-L154 HydrophobicContact CD1-CD2 4.15Å; L95-L154 HydrophobicContact CD1-CG 4.1Å; L95-L154 HydrophobicContact CG-CD2 4.5Å; R96-L154 HydrophobicContact CG-CD2 3.78Å; F150-L154 HydrophobicContact CE1-CD2 4.08Å; F150-L154 HydrophobicContact CZ-CB 4.41Å; F150-L154 HydrophobicContact CZ-CD2 3.83Å; F150-L154 WeakPolarHBondContact O-CB 3.49Å; F150-L154 PolarHBondContact O-N 3.15Å; L151-L154 PolarHBondContact O-N 3.2Å; L154-L156 PolarHBondContact O-N 3.2Å; L154-Q157 WeakPolarHBondContact O-CB 3.5Å; L154-Q157 PolarHBondContact O-N 3.08Å; L154-I158 HydrophobicContact CD1-CG1 4.46Å; L154-I158 WeakPolarHBondContact O-CG1 3.35Å; L154-I158 PolarHBondContact O-N 3.09Å; L154-I232 HydrophobicContact CD1-CD1 4.3Å; L154-F235 HydrophobicContact CD1-CD1 3.85Å; L154-F235 HydrophobicContact CD1-CD2 3.81Å; L154-F235 HydrophobicContact CD1-CE1 3.99Å; L154-F235 HydrophobicContact CD1-CE2 3.96Å; L154-F235 HydrophobicContact CD1-CG 3.77Å; L154-F235 HydrophobicContact CD1-CZ 4.06Å; L154-F235 HydrophobicContact CD2-CE2 4.36Å; L154-F235 HydrophobicContact CD2-CZ 4.39Å
155W98Very high96.6Very high12 Ų1241.4 Ų41.45%0.04521%0.205CC..Hα-helixtrans-60.6-44.6173.7174.7-107.1000112F91 L95 Y117 L120 E121 E124 L151 S152 C153 Q157 I158 K159F91-W155 HydrophobicContact CE2-CE3 4.47Å; F91-W155 AromaticContact CZ-CE3 3.98Å; F91-W155 HydrophobicContact CZ-CE3 3.98Å; L95-W155 HydrophobicContact CD1-CB 4.48Å; L95-W155 HydrophobicContact CD2-CE3 3.82Å; L95-W155 HydrophobicContact CD2-CZ3 4.24Å; Y117-W155 AromaticContact CD2-CH2 3.98Å; Y117-W155 HydrophobicContact CD2-CH2 3.98Å; Y117-W155 HydrophobicContact CD2-CZ3 4.38Å; Y117-W155 HydrophobicContact CE1-CH2 4.04Å; Y117-W155 HydrophobicContact CE1-CZ2 4.22Å; Y117-W155 AromaticContact CE2-CH2 3.45Å; Y117-W155 HydrophobicContact CE2-CH2 3.45Å; Y117-W155 VanDerWaalsContact CE2-CH2 3.45Å; Y117-W155 HydrophobicContact CE2-CZ2 4.04Å; Y117-W155 AromaticContact CE2-CZ3 3.97Å; Y117-W155 HydrophobicContact CE2-CZ3 3.97Å; Y117-W155 HydrophobicContact CG-CH2 4.48Å; Y117-W155 AromaticContact CZ-CH2 3.47Å; Y117-W155 VanDerWaalsContact CZ-CH2 3.47Å; Y117-W155 AromaticContact CZ-CZ2 3.64Å; Y117-W155 WeakPolarHBondContact OH-CZ2 3.47Å; L120-W155 HydrophobicContact CB-CH2 4.06Å; L120-W155 HydrophobicContact CB-CZ3 3.76Å; E121-W155 HydrophobicContact CB-CH2 3.78Å; E121-W155 HydrophobicContact CB-CZ2 3.57Å; E121-W155 HydrophobicContact CG-CZ2 3.81Å; E124-W155 HydrophobicContact CB-CD2 4.32Å; E124-W155 HydrophobicContact CB-CG 4.43Å; E124-W155 HydrophobicContact CG-CB 4.26Å; E124-W155 HydrophobicContact CG-CD2 4.1Å; E124-W155 HydrophobicContact CG-CG 3.72Å; L151-W155 VanDerWaalsContact O-CB 3.32Å; L151-W155 WeakPolarHBondContact O-CB 3.19Å; L151-W155 PolarHBondContact O-N 3.06Å; S152-W155 WeakPolarHBondContact O-CB 3.38Å; S152-W155 PolarHBondContact O-N 3.46Å; C153-W155 VanDerWaalsContact C-N 3.32Å; C153-W155 PolarHBondContact O-N 3.46Å; W155-Q157 VanDerWaalsContact C-N 3.26Å; W155-Q157 PolarHBondContact O-N 3.01Å; W155-I158 PolarHBondContact O-N 2.85Å; W155-K159 WeakPolarHBondContact O-CB 3.18Å; W155-K159 PolarHBondContact O-N 3.19Å
156L98.2Very high96.7Very high66 Ų6640 Ų4035%0.34620%0.199SC..Hα-helixtrans-61.4-36.8175.6-68.1175.7000111.7S152 C153 L154 K159 A160 H230S152-L156 WeakPolarHBondContact O-CG 3.22Å; S152-L156 PolarHBondContact O-N 3.33Å; C153-L156 PolarHBondContact O-N 3.24Å; L154-L156 PolarHBondContact O-N 3.2Å; L156-K159 PolarHBondContact O-N 3.09Å; L156-A160 WeakPolarHBondContact O-CB 3.43Å; L156-A160 PolarHBondContact O-N 3.47Å; L156-H230 HydrophobicContact CB-CB 4.44Å; L156-H230 WeakPolarHBondContact CD1-NE2 3.26Å
157Q98.3Very high96.6Very high4 Ų439.6 Ų39.62%0.01920%0.203CC..Hα-helixtrans-67-41.2174.2-65.8163.3-20.300112.7C153 L154 W155 K159 A160 L161 K229 H230 I232 F235C153-Q157 WeakPolarHBondContact O-CG 3.38Å; C153-Q157 PolarHBondContact O-N 2.77Å; L154-Q157 WeakPolarHBondContact O-CB 3.5Å; L154-Q157 PolarHBondContact O-N 3.08Å; W155-Q157 VanDerWaalsContact C-N 3.26Å; W155-Q157 PolarHBondContact O-N 3.01Å; Q157-K159 VanDerWaalsContact C-N 3.35Å; Q157-A160 PolarHBondContact O-N 3.21Å; Q157-L161 WeakPolarHBondContact O-CB 3.43Å; Q157-L161 PolarHBondContact O-N 3.02Å; Q157-K229 PolarHBondContact NE2-O 3.16Å; Q157-H230 WeakPolarHBondContact CA-O 3.15Å; Q157-I232 HydrophobicContact CB-CD1 4.06Å; Q157-F235 VanDerWaalsContact OE1-CB 3.23Å
158I98.4Very high96.2Very high0 Ų040 Ų400%021%0.205CC..Hα-helixtrans-65.7-39.2174-67.6-59000111.3L95 L98 P99 Y117 L154 W155 L161 R162 W166 I232L95-I158 HydrophobicContact CB-CG1 4.48Å; L95-I158 HydrophobicContact CD2-CG1 4.2Å; L95-I158 WeakPolarHBondContact O-CD1 3.42Å; L98-I158 HydrophobicContact CB-CD1 3.97Å; L98-I158 HydrophobicContact CD1-CG2 3.91Å; P99-I158 HydrophobicContact CG-CD1 3.69Å; Y117-I158 HydrophobicContact CE2-CG2 4.47Å; L154-I158 HydrophobicContact CD1-CG1 4.46Å; L154-I158 WeakPolarHBondContact O-CG1 3.35Å; L154-I158 PolarHBondContact O-N 3.09Å; W155-I158 PolarHBondContact O-N 2.85Å; I158-L161 PolarHBondContact O-N 3.02Å; I158-R162 WeakPolarHBondContact O-CB 3.41Å; I158-R162 PolarHBondContact O-N 2.96Å; I158-W166 HydrophobicContact CG2-CH2 4.35Å; I158-W166 HydrophobicContact CG2-CZ3 4.24Å; I158-I232 HydrophobicContact CD1-CD1 4.06Å
159K98.1Very high95.7Very high93 Ų9342.9 Ų42.940%0.40423%0.228SC..Hα-helixtrans-62.1-44.9174.7-175.5172.6-178.6169.90111.3W155 L156 Q157 R162 T163W155-K159 WeakPolarHBondContact O-CB 3.18Å; W155-K159 PolarHBondContact O-N 3.19Å; L156-K159 PolarHBondContact O-N 3.09Å; Q157-K159 VanDerWaalsContact C-N 3.35Å; K159-R162 PolarHBondContact O-N 3.33Å; K159-T163 PolarHBondContact O-N 2.94Å; K159-T163 PolarHBondContact O-OG1 3.42Å
160A97.6Very high95.2Very high43 Ų4343.9 Ų43.936%0.35523%0.232SC..Hα-helixtrans-61.8-44.117500000111.9L156 Q157 R162 T163 N164 H230L156-A160 WeakPolarHBondContact O-CB 3.43Å; L156-A160 PolarHBondContact O-N 3.47Å; Q157-A160 PolarHBondContact O-N 3.21Å; A160-R162 PolarHBondContact O-N 3.47Å; A160-T163 WeakPolarHBondContact O-CB 3.47Å; A160-T163 PolarHBondContact O-N 3.3Å; A160-N164 PolarHBondContact O-N 3.49Å; A160-H230 WeakPolarHBondContact CB-O 2.98Å
161L97.4Very high94.5Very high4 Ų443.9 Ų43.92%0.02123%0.232CC..Hα-helixtrans-59.7-45.1174.9175.958.5000111.9P99 Q157 I158 T163 N164 E165 W166 D168 I232P99-L161 HydrophobicContact CB-CD2 4.28Å; Q157-L161 WeakPolarHBondContact O-CB 3.43Å; Q157-L161 PolarHBondContact O-N 3.02Å; I158-L161 PolarHBondContact O-N 3.02Å; L161-T163 VanDerWaalsContact C-N 3.33Å; L161-T163 PolarHBondContact O-N 2.84Å; L161-N164 CarbonylContact O-C 3.58Å; L161-N164 VanDerWaalsContact O-C 3.25Å; L161-N164 WeakPolarHBondContact O-CA 3.46Å; L161-N164 PolarHBondContact O-N 2.98Å; L161-E165 PolarHBondContact O-N 3.47Å; L161-W166 HydrophobicContact CD2-CE3 3.99Å; L161-W166 HydrophobicContact CD2-CZ3 4.48Å; L161-W166 HydrophobicContact CG-CE3 4.04Å; L161-W166 WeakPolarHBondContact O-CA 2.77Å; L161-W166 PolarHBondContact O-N 3.29Å; L161-D168 HydrophobicContact CD1-CB 4.43Å; L161-I232 HydrophobicContact CB-CB 4.23Å; L161-I232 HydrophobicContact CB-CG2 4.22Å; L161-I232 HydrophobicContact CD1-CG2 3.97Å; L161-I232 HydrophobicContact CD2-CB 4.45Å; L161-I232 HydrophobicContact CD2-CG1 4.14Å; L161-I232 HydrophobicContact CD2-CG2 4.31Å; L161-I232 HydrophobicContact CG-CG2 4.38Å
162R97.4Very high93.8Very high78 Ų7847.1 Ų47.129%0.29425%0.247SC..Hα-helixtrans-61.4-41.6175.7178.6179.7169.4-80.12.2111.6E114 Y117 I158 K159 A160 N164 E165 W166E114-R162 IonicContact OE1-NH2 2.72Å; E114-R162 PolarHBondContact OE1-NH2 3.18Å; E114-R162 IonicContact OE2-CZ 2.66Å; E114-R162 IonicContact OE2-NE 3.08Å; E114-R162 PolarHBondContact OE2-NE 2.91Å; E114-R162 IonicContact OE2-NH2 3.59Å; E114-R162 PolarHBondContact OE2-NH2 3.38Å; Y117-R162 VanDerWaalsContact CE2-CD 3.46Å; I158-R162 WeakPolarHBondContact O-CB 3.41Å; I158-R162 PolarHBondContact O-N 2.96Å; K159-R162 PolarHBondContact O-N 3.33Å; A160-R162 PolarHBondContact O-N 3.47Å; R162-N164 PolarHBondContact O-N 2.76Å; R162-E165 PolarHBondContact O-N 3.43Å; R162-W166 HydrophobicContact CB-CH2 4.25Å; R162-W166 HydrophobicContact CB-CZ2 3.96Å; R162-W166 HydrophobicContact CG-CZ2 3.89Å
163T96.8Very high93.4Very high108 Ų10847.3 Ų47.366%0.66325%0.246SC*.Hα-helixtrans-62.6-29.3174.5-63.80000112K159 A160 L161 E165K159-T163 PolarHBondContact O-N 2.94Å; K159-T163 PolarHBondContact O-OG1 3.42Å; A160-T163 WeakPolarHBondContact O-CB 3.47Å; A160-T163 PolarHBondContact O-N 3.3Å; L161-T163 VanDerWaalsContact C-N 3.33Å; L161-T163 PolarHBondContact O-N 2.84Å; T163-E165 PolarHBondContact O-N 2.93Å
164N95.9Very high93Very high92 Ų9251.9 Ų51.949%0.49226%0.263SS..THydrogen-bonded Turntrans-9029.3172.3-160.445.9000113.3A160 L161 R162 W166 N167A160-N164 PolarHBondContact O-N 3.49Å; L161-N164 CarbonylContact O-C 3.58Å; L161-N164 VanDerWaalsContact O-C 3.25Å; L161-N164 WeakPolarHBondContact O-CA 3.46Å; L161-N164 PolarHBondContact O-N 2.98Å; R162-N164 PolarHBondContact O-N 2.76Å; N164-W166 PolarHBondContact O-N 3.32Å; N164-W166 VanDerWaalsContact O-N 3.13Å; N164-N167 PolarHBondContact ND2-O 2.98Å; N164-N167 WeakPolarHBondContact O-CB 3.45Å; N164-N167 PolarHBondContact O-N 2.9Å
165E95.6Very high92.6Very high164 Ų16452.3 Ų52.377%0.76627%0.266SS*.THydrogen-bonded Turntrans54.635.2176.1-57.2-178.9169.800113.7L161 R162 T163 N167L161-E165 PolarHBondContact O-N 3.47Å; R162-E165 PolarHBondContact O-N 3.43Å; T163-E165 PolarHBondContact O-N 2.93Å; E165-N167 PolarHBondContact O-N 3.2Å; E165-N167 VanDerWaalsContact O-N 3.13Å
166W95.5Very high92.2Very high12 Ų1256.4 Ų56.45%0.04528%0.284CS..THydrogen-bonded Turntrans61.315.8-178.5-53.796.1000115.5L98 E103 S106 L113 Y117 I158 L161 R162 N164L98-W166 HydrophobicContact CB-CZ3 4.06Å; L98-W166 HydrophobicContact CD1-CH2 4.34Å; L98-W166 HydrophobicContact CD1-CZ3 4.4Å; L98-W166 HydrophobicContact CD2-CH2 4.31Å; L98-W166 HydrophobicContact CD2-CZ3 4.31Å; L98-W166 HydrophobicContact CG-CZ3 4.5Å; E103-W166 HydrophobicContact CB-CB 4.22Å; S106-W166 VanDerWaalsContact CB-CD1 3.45Å; L113-W166 HydrophobicContact CD1-CZ2 4.35Å; L113-W166 HydrophobicContact CD2-CZ2 3.81Å; L113-W166 HydrophobicContact CG-CZ2 4.13Å; Y117-W166 HydrophobicContact CD2-CH2 4.46Å; I158-W166 HydrophobicContact CG2-CH2 4.35Å; I158-W166 HydrophobicContact CG2-CZ3 4.24Å; L161-W166 HydrophobicContact CD2-CE3 3.99Å; L161-W166 HydrophobicContact CD2-CZ3 4.48Å; L161-W166 HydrophobicContact CG-CE3 4.04Å; L161-W166 WeakPolarHBondContact O-CA 2.77Å; L161-W166 PolarHBondContact O-N 3.29Å; R162-W166 HydrophobicContact CB-CH2 4.25Å; R162-W166 HydrophobicContact CB-CZ2 3.96Å; R162-W166 HydrophobicContact CG-CZ2 3.89Å; N164-W166 PolarHBondContact O-N 3.32Å; N164-W166 VanDerWaalsContact O-N 3.13Å
167N91.9Very high91.8Very high84 Ų8456.9 Ų56.945%0.44929%0.293SS..  trans-89.4116.5178.1-169.74.1000110.3N164 E165N164-N167 PolarHBondContact ND2-O 2.98Å; N164-N167 WeakPolarHBondContact O-CB 3.45Å; N164-N167 PolarHBondContact O-N 2.9Å; E165-N167 PolarHBondContact O-N 3.2Å; E165-N167 VanDerWaalsContact O-N 3.13Å
168D88.7Confident91.5Very high9 Ų960 Ų605%0.04831%0.307CS..  trans-101.5147.6166.978.6107000110.9L161 Y170 Y171 R173 I232L161-D168 HydrophobicContact CD1-CB 4.43Å; D168-Y170 PolarHBondContact OD1-N 2.91Å; D168-Y170 VanDerWaalsContact OD1-N 3.15Å; D168-Y171 PolarHBondContact OD1-N 3.4Å; D168-Y171 VanDerWaalsContact OD1-N 3.07Å; D168-R173 IonicContact OD2-CZ 3.33Å; D168-R173 IonicContact OD2-NE 2.73Å; D168-R173 PolarHBondContact OD2-NE 3.01Å; D168-R173 IonicContact OD2-NH2 2.77Å; D168-R173 PolarHBondContact OD2-NH2 2.83Å; D168-I232 HydrophobicContact CB-CG2 3.98Å
169S84.9Confident91Very high85 Ų8563 Ų6359%0.59433%0.328SS*.SBendtrans-94.8-1.1176.260.50000113.8E233S169-E233 PolarHBondContact N-OE1 3.3Å; S169-E233 WeakPolarHBondContact OG-CG 3.48Å; S169-E233 PolarHBondContact OG-OE1 2.71Å
170Y85.3Confident90.5Very high25 Ų2565 Ų6510%0.09834%0.342CS..SBendtrans-79.8-62.2-167.5-176.4-103000112.5D168 L236 L237 D240 Y262D168-Y170 PolarHBondContact OD1-N 2.91Å; D168-Y170 VanDerWaalsContact OD1-N 3.15Å; Y170-L236 HydrophobicContact CD1-CB 3.52Å; Y170-L236 HydrophobicContact CD1-CD1 3.91Å; Y170-L236 HydrophobicContact CD1-CG 4.34Å; Y170-L236 HydrophobicContact CD2-CB 4.45Å; Y170-L236 HydrophobicContact CE1-CB 3.67Å; Y170-L236 HydrophobicContact CG-CB 3.93Å; Y170-L236 HydrophobicContact CG-CD1 4.19Å; Y170-L237 HydrophobicContact CE2-CB 3.82Å; Y170-L237 HydrophobicContact CE2-CD1 4.22Å; Y170-L237 VanDerWaalsContact OH-CA 3.31Å; Y170-L237 WeakPolarHBondContact OH-CA 3.49Å; Y170-D240 WeakPolarHBondContact CE1-OD2 3.42Å; Y170-D240 PolarHBondContact OH-OD2 3.48Å; Y170-Y262 PolarHBondContact OH-OH 3.15Å
171Y79.6Confident90.3Very high22 Ų2267.2 Ų67.29%0.08635%0.347CS..SBendtrans-75.7142-172.1-74.1-62.9000112.2T6 I100 D168 R173 L236 R265T6-Y171 HydrophobicContact CG2-CD1 4.44Å; T6-Y171 HydrophobicContact CG2-CG 4.25Å; I100-Y171 HydrophobicContact CD1-CD2 3.77Å; I100-Y171 HydrophobicContact CD1-CE2 3.36Å; D168-Y171 PolarHBondContact OD1-N 3.4Å; D168-Y171 VanDerWaalsContact OD1-N 3.07Å; Y171-R173 PolarHBondContact O-N 3.21Å; Y171-L236 HydrophobicContact CD2-CD1 3.95Å; Y171-L236 HydrophobicContact CE2-CB 4.35Å; Y171-L236 HydrophobicContact CE2-CD1 3.61Å; Y171-L236 HydrophobicContact CE2-CD2 3.66Å; Y171-L236 HydrophobicContact CE2-CG 4.06Å; Y171-R265 PolarHBondContact O-NH1 3.49Å
172M81.3Confident90Very high71 Ų7167.1 Ų67.135%0.3535%0.347SS..  trans-72.1112.6155.4-17353.2169.200108.2T6 Y174 R265T6-M172 PolarHBondContact OG1-O 2.87Å; M172-Y174 HydrophobicContact CB-CD2 4.25Å; M172-Y174 HydrophobicContact CB-CE2 3.78Å; M172-Y174 HydrophobicContact CG-CD1 4.35Å; M172-Y174 HydrophobicContact CG-CD2 4.15Å; M172-Y174 HydrophobicContact CG-CE1 4.11Å; M172-Y174 HydrophobicContact CG-CE2 3.87Å; M172-Y174 HydrophobicContact CG-CG 4.38Å; M172-Y174 VanDerWaalsContact O-CD2 3.24Å; M172-Y174 WeakPolarHBondContact O-CD2 3.38Å; M172-Y174 PolarHBondContact O-N 3.44Å; M172-Y174 VanDerWaalsContact O-N 3.15Å; M172-R265 PolarHBondContact SD-NH2 2.64Å
173R86.8Confident89.5Confident18 Ų1866.8 Ų66.87%0.06836%0.356CS..  trans-82.480.6177.3-59.5-70.1-177.2163.12.7109.3P99 I100 D168 Y171 E175 K176P99-R173 PolarHBondContact O-NH2 3.49Å; I100-R173 PolarHBondContact O-NH1 3.49Å; D168-R173 IonicContact OD2-CZ 3.33Å; D168-R173 IonicContact OD2-NE 2.73Å; D168-R173 PolarHBondContact OD2-NE 3.01Å; D168-R173 IonicContact OD2-NH2 2.77Å; D168-R173 PolarHBondContact OD2-NH2 2.83Å; Y171-R173 PolarHBondContact O-N 3.21Å; R173-E175 VanDerWaalsContact CA-OE2 3.25Å; R173-E175 WeakPolarHBondContact CA-OE2 3.33Å; R173-E175 WeakPolarHBondContact CB-OE1 3.43Å; R173-E175 WeakPolarHBondContact CD-OE1 3.39Å; R173-E175 IonicContact NH1-OE1 3.34Å; R173-E175 PolarHBondContact O-N 3.24Å; R173-K176 HydrophobicContact CB-CB 4.28Å; R173-K176 HydrophobicContact CB-CD 3.78Å; R173-K176 HydrophobicContact CB-CG 3.78Å; R173-K176 HydrophobicContact CG-CD 4.31Å; R173-K176 WeakPolarHBondContact O-CB 3.41Å; R173-K176 PolarHBondContact O-N 3.46Å
174Y89.8Confident89.2Confident99 Ų9967.1 Ų67.139%0.38835%0.354SS..Hα-helixtrans-60.5-28.4-175.7-73.4-84.8000113.3V7 M172 K176 S177 H178V7-Y174 HydrophobicContact CG2-CD2 3.7Å; V7-Y174 HydrophobicContact CG2-CE2 3.37Å; V7-Y174 HydrophobicContact CG2-CG 4.48Å; M172-Y174 HydrophobicContact CB-CD2 4.25Å; M172-Y174 HydrophobicContact CB-CE2 3.78Å; M172-Y174 HydrophobicContact CG-CD1 4.35Å; M172-Y174 HydrophobicContact CG-CD2 4.15Å; M172-Y174 HydrophobicContact CG-CE1 4.11Å; M172-Y174 HydrophobicContact CG-CE2 3.87Å; M172-Y174 HydrophobicContact CG-CG 4.38Å; M172-Y174 VanDerWaalsContact O-CD2 3.24Å; M172-Y174 WeakPolarHBondContact O-CD2 3.38Å; M172-Y174 PolarHBondContact O-N 3.44Å; M172-Y174 VanDerWaalsContact O-N 3.15Å; Y174-K176 VanDerWaalsContact C-N 3.3Å; Y174-K176 PolarHBondContact O-N 2.84Å; Y174-S177 WeakPolarHBondContact O-CB 3.41Å; Y174-S177 PolarHBondContact O-N 3.39Å; Y174-H178 PolarHBondContact O-ND1 3.11Å
175E90Very high88.9Confident10 Ų1063.5 Ų63.55%0.04734%0.336CS..Hα-helixtrans-59.1-38.4171.368.7-81.3-16500112.1N58 R173 S177 H178 S179 L182N58-E175 HydrophobicContact CB-CG 3.95Å; R173-E175 VanDerWaalsContact CA-OE2 3.25Å; R173-E175 WeakPolarHBondContact CA-OE2 3.33Å; R173-E175 WeakPolarHBondContact CB-OE1 3.43Å; R173-E175 WeakPolarHBondContact CD-OE1 3.39Å; R173-E175 IonicContact NH1-OE1 3.34Å; R173-E175 PolarHBondContact O-N 3.24Å; E175-S177 PolarHBondContact O-N 3.24Å; E175-H178 CarbonylContact O-C 3.54Å; E175-H178 PolarHBondContact O-N 3.22Å; E175-S179 PolarHBondContact O-N 3.43Å; E175-L182 HydrophobicContact CB-CD1 4.02Å
176K89.8Confident88.7Confident97 Ų9761.2 Ų61.242%0.42233%0.328SS..Hα-helixtrans-65.1-30.8178.1-65-172.2-175.1-173.40111.7E103 R173 Y174 H178 S179E103-K176 IonicContact OE1-NZ 3.01Å; E103-K176 PolarHBondContact OE1-NZ 2.99Å; E103-K176 WeakPolarHBondContact OE2-CE 3.11Å; E103-K176 IonicContact OE2-NZ 2.86Å; E103-K176 PolarHBondContact OE2-NZ 2.88Å; R173-K176 HydrophobicContact CB-CB 4.28Å; R173-K176 HydrophobicContact CB-CD 3.78Å; R173-K176 HydrophobicContact CB-CG 3.78Å; R173-K176 HydrophobicContact CG-CD 4.31Å; R173-K176 WeakPolarHBondContact O-CB 3.41Å; R173-K176 PolarHBondContact O-N 3.46Å; Y174-K176 VanDerWaalsContact C-N 3.3Å; Y174-K176 PolarHBondContact O-N 2.84Å; K176-H178 PolarHBondContact O-N 3.39Å; K176-S179 PolarHBondContact O-OG 3.43Å
177S89.5Confident88.7Confident77 Ų7762.1 Ų62.154%0.53834%0.338SS..Hα-helixtrans-71.8-18.1175.5-55.80000113.1Y174 E175Y174-S177 WeakPolarHBondContact O-CB 3.41Å; Y174-S177 PolarHBondContact O-N 3.39Å; E175-S177 PolarHBondContact O-N 3.24Å
178H90.6Very high88.9Confident68 Ų6858.2 Ų58.232%0.31532%0.317SS..THydrogen-bonded Turntrans-117.316.8-179.7-59.988.1000112.4L14 Y174 E175 K176 I180 L181 L182L14-H178 HydrophobicContact CD2-CB 4.35Å; Y174-H178 PolarHBondContact O-ND1 3.11Å; E175-H178 CarbonylContact O-C 3.54Å; E175-H178 PolarHBondContact O-N 3.22Å; K176-H178 PolarHBondContact O-N 3.39Å; H178-I180 VanDerWaalsContact C-N 3.31Å; H178-I180 PolarHBondContact O-N 3.34Å; H178-L181 WeakPolarHBondContact O-CB 3.21Å; H178-L181 PolarHBondContact O-N 2.83Å; H178-L182 HydrophobicContact CB-CD1 3.96Å; H178-L182 HydrophobicContact CB-CG 4.13Å; H178-L182 WeakPolarHBondContact O-CG 3.18Å; H178-L182 PolarHBondContact O-N 2.9Å
179S87.7Confident89.1Confident64 Ų6462.2 Ų62.245%0.44835%0.346SS..Hα-helixtrans-52.9-44.3-171.655.80000113.3E175 K176 L181 L182 S183E175-S179 PolarHBondContact O-N 3.43Å; K176-S179 PolarHBondContact O-OG 3.43Å; S179-L181 VanDerWaalsContact C-N 3.3Å; S179-L181 PolarHBondContact O-N 3.27Å; S179-L182 PolarHBondContact O-N 3.06Å; S179-S183 WeakPolarHBondContact O-CB 3.41Å; S179-S183 PolarHBondContact O-N 3.4Å; S179-S183 PolarHBondContact O-OG 3.49Å
180I89.3Confident89.4Confident135 Ų13559 Ų5969%0.69232%0.322SS*.Hα-helixtrans-62.2-36178.3-60.9170.4000112.2H178 S183 N184H178-I180 VanDerWaalsContact C-N 3.31Å; H178-I180 PolarHBondContact O-N 3.34Å; I180-S183 PolarHBondContact O-OG 2.9Å; I180-N184 PolarHBondContact O-ND2 2.99Å
181L91.8Very high89.3Confident90 Ų9060.4 Ų60.447%0.47135%0.345SS..Hα-helixtrans-75.3-47.3178-69.3173.3000110.2L14 L17 H178 S179 S183 N184L14-L181 HydrophobicContact CD2-CB 4.47Å; L14-L181 HydrophobicContact CD2-CD1 4.38Å; L17-L181 HydrophobicContact CD2-CB 3.98Å; L17-L181 WeakPolarHBondContact CD2-O 3.34Å; H178-L181 WeakPolarHBondContact O-CB 3.21Å; H178-L181 PolarHBondContact O-N 2.83Å; S179-L181 VanDerWaalsContact C-N 3.3Å; S179-L181 PolarHBondContact O-N 3.27Å; L181-S183 VanDerWaalsContact C-N 3.31Å; L181-S183 PolarHBondContact O-N 3.48Å; L181-N184 PolarHBondContact O-N 2.89Å
182L91.6Very high89.5Confident2 Ų267.7 Ų67.71%0.0139%0.385CS..Hα-helixtrans-68.1-29.5-176.6-64.2172.6000112.2G13 L14 C59 H60 E175 H178 S179 N184 S185G13-L182 VanDerWaalsContact C-CD2 3.48Å; L14-L182 HydrophobicContact CD2-CD2 4.05Å; L14-L182 HydrophobicContact CG-CD2 4.35Å; C59-L182 HydrophobicContact CB-CD1 4.36Å; H60-L182 WeakPolarHBondContact CB-O 3.48Å; E175-L182 HydrophobicContact CB-CD1 4.02Å; H178-L182 HydrophobicContact CB-CD1 3.96Å; H178-L182 HydrophobicContact CB-CG 4.13Å; H178-L182 WeakPolarHBondContact O-CG 3.18Å; H178-L182 PolarHBondContact O-N 2.9Å; S179-L182 PolarHBondContact O-N 3.06Å; L182-N184 PolarHBondContact O-N 2.96Å; L182-N184 VanDerWaalsContact O-N 3.16Å; L182-S185 WeakPolarHBondContact O-CB 3.43Å; L182-S185 PolarHBondContact O-N 3.24Å
183S87.3Confident90Very high70 Ų7065.2 Ų65.249%0.4937%0.372SS..THydrogen-bonded Turntrans-64.2-17.9175.365.80000113.6S179 I180 L181 S185S179-S183 WeakPolarHBondContact O-CB 3.41Å; S179-S183 PolarHBondContact O-N 3.4Å; S179-S183 PolarHBondContact O-OG 3.49Å; I180-S183 PolarHBondContact O-OG 2.9Å; L181-S183 VanDerWaalsContact C-N 3.31Å; L181-S183 PolarHBondContact O-N 3.48Å; S183-S185 VanDerWaalsContact C-N 3.34Å
184N89.4Confident90.2Very high115 Ų11568.1 Ų68.162%0.61540%0.4SS*.THydrogen-bonded Turntrans-89.4-1.7174-60.8-47000112.8L17 I180 L181 L182L17-N184 HydrophobicContact CD1-CB 4.12Å; I180-N184 PolarHBondContact O-ND2 2.99Å; L181-N184 PolarHBondContact O-N 2.89Å; L182-N184 PolarHBondContact O-N 2.96Å; L182-N184 VanDerWaalsContact O-N 3.16Å
185S90.2Very high90.3Very high16 Ų1664.2 Ų64.211%0.11239%0.387CS..SBendtrans-74.9143.1177.11790000110.3N16 H60 L182 S183N16-S185 PolarHBondContact ND2-OG 3.18Å; H60-S185 PolarHBondContact O-OG 3.13Å; L182-S185 WeakPolarHBondContact O-CB 3.43Å; L182-S185 PolarHBondContact O-N 3.24Å; S183-S185 VanDerWaalsContact C-N 3.34Å
186I92.3Very high90.1Very high117 Ų11765.5 Ų65.560%0.640%0.396SS*.PPolyproline II helixtrans-88.6120.3169-55.1173.3000107.2N16 Y20N16-I186 PolarHBondContact ND2-O 3.34Å; Y20-I186 HydrophobicContact CD2-CB 3.81Å; Y20-I186 HydrophobicContact CD2-CG2 4.14Å; Y20-I186 HydrophobicContact CE2-CB 3.68Å; Y20-I186 HydrophobicContact CE2-CG2 3.5Å; Y20-I186 VanDerWaalsContact CE2-CG2 3.5Å; Y20-I186 WeakPolarHBondContact CE2-O 3.26Å
187A94.3Very high89.3Confident31 Ų3162.6 Ų62.626%0.25638%0.384SS..PPolyproline II helixtrans-78.2145.2177.300000111.2T63T63-A187 HydrophobicContact CG2-CB 3.94Å
188H96.2Very high88.2Confident2 Ų262.8 Ų62.81%0.00940%0.398CS..BIsolated β-bridgetrans-88.6141.6176.2-62.6-84.6000110.8N16 Y20 N24 I27 S61 I62 T63N16-H188 PolarHBondContact OD1-NE2 3.48Å; Y20-H188 AromaticContact CD1-CE1 3.75Å; Y20-H188 AromaticContact CD2-CE1 3.39Å; Y20-H188 WeakPolarHBondContact CD2-CE1 3.39Å; Y20-H188 AromaticContact CD2-NE2 3.59Å; Y20-H188 AromaticContact CE1-CE1 3.47Å; Y20-H188 VanDerWaalsContact CE1-CE1 3.47Å; Y20-H188 WeakPolarHBondContact CE1-CE1 3.4Å; Y20-H188 AromaticContact CE1-ND1 3.86Å; Y20-H188 AromaticContact CE2-CE1 3.09Å; Y20-H188 WeakPolarHBondContact CE2-CE1 3.42Å; Y20-H188 AromaticContact CE2-ND1 3.55Å; Y20-H188 AromaticContact CE2-NE2 3.52Å; Y20-H188 AromaticContact CG-CE1 3.72Å; Y20-H188 AromaticContact CZ-CE1 3.14Å; Y20-H188 AromaticContact CZ-ND1 3.31Å; Y20-H188 VanDerWaalsContact CZ-ND1 3.31Å; Y20-H188 PolarHBondContact O-CE1 3.44Å; Y20-H188 PolarHBondContact O-NE2 3.43Å; Y20-H188 PolarHBondContact OH-ND1 3Å; N24-H188 VanDerWaalsContact CB-CE1 3.45Å; N24-H188 WeakPolarHBondContact CB-CE1 3.46Å; N24-H188 PolarHBondContact N-CE1 3.32Å; N24-H188 VanDerWaalsContact N-CE1 3.3Å; N24-H188 PolarHBondContact N-NE2 3.14Å; I27-H188 HydrophobicContact CD1-CB 3.71Å; S61-H188 PolarHBondContact O-CD2 3.25Å; S61-H188 VanDerWaalsContact O-CD2 3.23Å; S61-H188 PolarHBondContact O-N 2.85Å; I62-H188 WeakPolarHBondContact CA-O 3.46Å; T63-H188 PolarHBondContact N-O 2.96Å; T63-H188 VanDerWaalsContact N-O 3.1Å
189S94Very high87Confident93 Ų9360.4 Ų60.465%0.6539%0.387SS*.PPolyproline II helixtrans-85.8127.2166-168.80000109S66S66-S189 WeakPolarHBondContact OG-CA 3.28Å
190V90.1Very high85.7Confident17 Ų1763.5 Ų63.510%0.10340%0.399CS..PPolyproline II helixtrans-79132.4170.3176.90000107.9I27 L31 I62 S66 I70I27-V190 HydrophobicContact CG2-CG2 4.02Å; L31-V190 HydrophobicContact CD1-CB 4.49Å; L31-V190 HydrophobicContact CD1-CG1 3.47Å; L31-V190 VanDerWaalsContact CD1-CG1 3.47Å; L31-V190 HydrophobicContact CD1-CG2 4.37Å; L31-V190 HydrophobicContact CD2-CG1 4.14Å; L31-V190 HydrophobicContact CG-CG1 4.43Å; I62-V190 HydrophobicContact CG2-CG2 4.07Å; S66-V190 PolarHBondContact OG-N 3.18Å; I70-V190 HydrophobicContact CD1-CG1 4.27Å; I70-V190 HydrophobicContact CD1-CG2 4.32Å; I70-V190 HydrophobicContact CG1-CG1 4.47Å
191G82.6Confident84.1Confident55 Ų5559.1 Ų59.157%0.56738%0.376SS*.  trans-66.5179.3173.800000112.3F193G191-F193 PolarHBondContact O-N 3.48Å
192D84.5Confident82.3Confident175 Ų17557 Ų5794%0.93637%0.372SS*.  trans-58.7106.7-179.1-65.9-28000111.2
193F91.5Very high80.5Confident19 Ų1962.5 Ų62.58%0.08340%0.397CS..  trans-96.6119.5175.4172.9-104.8000109.1L31 L34 L38 I70 S73 Y74 G191 V195L31-F193 HydrophobicContact CD2-CD2 3.86Å; L31-F193 HydrophobicContact CD2-CE2 4.34Å; L31-F193 HydrophobicContact CD2-CG 4.36Å; L34-F193 HydrophobicContact CD2-CE2 3.98Å; L34-F193 HydrophobicContact CD2-CZ 3.7Å; L34-F193 HydrophobicContact CG-CE2 4.42Å; L34-F193 HydrophobicContact CG-CZ 4.28Å; L38-F193 HydrophobicContact CD1-CZ 4.28Å; I70-F193 HydrophobicContact CB-CD1 4.41Å; I70-F193 HydrophobicContact CG1-CB 4.45Å; I70-F193 HydrophobicContact CG1-CD1 4.29Å; I70-F193 HydrophobicContact CG2-CD1 4.09Å; I70-F193 HydrophobicContact CG2-CE1 4.13Å; S73-F193 VanDerWaalsContact CB-O 3.3Å; S73-F193 WeakPolarHBondContact CB-O 3.36Å; S73-F193 PolarHBondContact OG-O 3.44Å; Y74-F193 HydrophobicContact CE2-CE1 4.14Å; G191-F193 PolarHBondContact O-N 3.48Å; F193-V195 HydrophobicContact CD1-CG2 4.4Å; F193-V195 HydrophobicContact CE1-CG2 3.54Å; F193-V195 HydrophobicContact CZ-CG2 4.06Å
194A92Very high79Confident79 Ų7961.6 Ų61.665%0.65338%0.384SS*.  trans-111.2131.6168.800000108.6P196A194-P196 WeakPolarHBondContact O-CD 3.48Å
195V91.1Very high77.5Confident17 Ų1757.5 Ų57.510%0.10336%0.364CS..  trans-67.3112.8-179.9172.50000108.8L38 Y74 V77 F193 I197L38-V195 HydrophobicContact CD1-CG1 4.43Å; Y74-V195 HydrophobicContact CD1-CG1 4.14Å; Y74-V195 HydrophobicContact CD1-CG2 3.61Å; Y74-V195 HydrophobicContact CD2-CG2 4.15Å; Y74-V195 HydrophobicContact CE1-CG1 3.97Å; Y74-V195 HydrophobicContact CE1-CG2 3.66Å; Y74-V195 HydrophobicContact CE2-CG2 4.19Å; Y74-V195 HydrophobicContact CG-CG2 3.86Å; V77-V195 HydrophobicContact CG2-CB 3.98Å; V77-V195 HydrophobicContact CG2-CG1 4.12Å; F193-V195 HydrophobicContact CD1-CG2 4.4Å; F193-V195 HydrophobicContact CE1-CG2 3.54Å; F193-V195 HydrophobicContact CZ-CG2 4.06Å; V195-I197 VanDerWaalsContact C-N 3.26Å; V195-I197 HydrophobicContact CG1-CB 4.22Å; V195-I197 HydrophobicContact CG1-CD1 3.24Å; V195-I197 HydrophobicContact CG1-CG1 3.45Å; V195-I197 VanDerWaalsContact CG1-CG1 3.45Å; V195-I197 PolarHBondContact O-N 3.31Å
196P86Confident76.2Confident37 Ų3757.6 Ų57.624%0.2436%0.363CS..  trans-83.871.9-177.135.1-33.7000109.7C35 L38 K39 A194C35-P196 HydrophobicContact CB-CG 4.22Å; L38-P196 HydrophobicContact CB-CG 4.07Å; L38-P196 HydrophobicContact CD1-CG 4.35Å; K39-P196 HydrophobicContact CG-CB 4.19Å; K39-P196 HydrophobicContact CG-CG 4.26Å; A194-P196 WeakPolarHBondContact O-CD 3.48Å
197I73.6Confident75.8Confident35 Ų3552.5 Ų52.518%0.17934%0.336CS..  trans-96122.9176.9-76.8168.3000110V77 V86 C90 V195 F199V77-I197 HydrophobicContact CG1-CD1 4.4Å; V86-I197 HydrophobicContact CG1-CD1 4.47Å; V86-I197 HydrophobicContact CG1-CG2 3.64Å; C90-I197 WeakPolarHBondContact SG-CD1 3.38Å; V195-I197 VanDerWaalsContact C-N 3.26Å; V195-I197 HydrophobicContact CG1-CB 4.22Å; V195-I197 HydrophobicContact CG1-CD1 3.24Å; V195-I197 HydrophobicContact CG1-CG1 3.45Å; V195-I197 VanDerWaalsContact CG1-CG1 3.45Å; V195-I197 PolarHBondContact O-N 3.31Å; I197-F199 HydrophobicContact CG2-CD1 3.77Å; I197-F199 HydrophobicContact CG2-CE1 3.75Å
198G66.1Low75.6Confident81 Ų8151.8 Ų51.884%0.83533%0.327SS*.  trans-161.663.317600000110.1
199F65.2Low75.5Confident18 Ų1852.8 Ų52.88%0.07934%0.335CS..  trans-109.5149.9178.168.4-84.4000111.8T41 W43 V86 L89 I197T41-F199 HydrophobicContact CG2-CB 3.63Å; T41-F199 HydrophobicContact CG2-CG 4.42Å; W43-F199 HydrophobicContact CH2-CB 4.27Å; W43-F199 AromaticContact CH2-CD1 3.18Å; W43-F199 HydrophobicContact CH2-CD1 3.18Å; W43-F199 AromaticContact CH2-CE1 3.45Å; W43-F199 HydrophobicContact CH2-CE1 3.45Å; W43-F199 VanDerWaalsContact CH2-CE1 3.45Å; W43-F199 AromaticContact CH2-CG 3.8Å; W43-F199 HydrophobicContact CH2-CG 3.8Å; W43-F199 HydrophobicContact CH2-CZ 4.27Å; W43-F199 HydrophobicContact CZ2-CB 3.95Å; W43-F199 AromaticContact CZ2-CD1 3.28Å; W43-F199 HydrophobicContact CZ2-CD1 3.28Å; W43-F199 AromaticContact CZ2-CD2 3.82Å; W43-F199 HydrophobicContact CZ2-CD2 3.82Å; W43-F199 AromaticContact CZ2-CE1 3.54Å; W43-F199 HydrophobicContact CZ2-CE1 3.54Å; W43-F199 HydrophobicContact CZ2-CE2 4.07Å; W43-F199 AromaticContact CZ2-CG 3.42Å; W43-F199 HydrophobicContact CZ2-CG 3.42Å; W43-F199 VanDerWaalsContact CZ2-CG 3.42Å; W43-F199 AromaticContact CZ2-CZ 3.93Å; W43-F199 HydrophobicContact CZ2-CZ 3.93Å; W43-F199 HydrophobicContact CZ3-CD1 4.36Å; W43-F199 HydrophobicContact CZ3-CE1 4.35Å; V86-F199 HydrophobicContact CG2-CE1 3.84Å; V86-F199 HydrophobicContact CG2-CZ 3.77Å; L89-F199 HydrophobicContact CD2-CE1 3.86Å; L89-F199 HydrophobicContact CD2-CZ 3.97Å; I197-F199 HydrophobicContact CG2-CD1 3.77Å; I197-F199 HydrophobicContact CG2-CE1 3.75Å
200D59.8Low75.5Confident130 Ų13049 Ų4970%0.69531%0.308SS*.  trans-84.5148.9170.4-125.1-16.3000110.4A202D200-A202 PolarHBondContact O-N 2.99Å
201M57.4Low75.9Confident42 Ų4248.9 Ų48.921%0.20731%0.306CS..THydrogen-bonded Turntrans-60.6-8.2-166.3-71.6-169.1-85.200115.6K83 I85 E203 Q663K83-M201 HydrophobicContact CD-CG 4.47Å; I85-M201 HydrophobicContact CG2-CG 4.5Å; M201-E203 VanDerWaalsContact C-N 3.29Å; M201-E203 PolarHBondContact O-N 3.3Å; M201-Q663 PolarHBondContact SD-NE2 3.04Å
202A52.6Low76.6Confident46 Ų4647.2 Ų47.238%0.3828%0.283SS..THydrogen-bonded Turntrans-66.2-22.9-171.600000114.7D200 I660D200-A202 PolarHBondContact O-N 2.99Å; A202-I660 HydrophobicContact CB-CG2 4.21Å; A202-I660 WeakPolarHBondContact O-CD1 3.48Å
203E54Low77.1Confident117 Ų11738.9 Ų38.955%0.54724%0.238SC..SBendtrans-117.160.1-176.3-65.6-172.3162.600111.4T41 W43 M201 P205T41-E203 WeakPolarHBondContact CB-OE2 3.12Å; T41-E203 PolarHBondContact OG1-OE2 3.45Å; W43-E203 PolarHBondContact NE1-O 3.07Å; M201-E203 VanDerWaalsContact C-N 3.29Å; M201-E203 PolarHBondContact O-N 3.3Å; E203-P205 VanDerWaalsContact O-CD 3.26Å; E203-P205 WeakPolarHBondContact O-CD 3.43Å
204F55.7Low77.3Confident51 Ų5138.5 Ų38.522%0.22424%0.236CC..  trans-87.6122.3-178.1-175.5-118.1000112.9I85 R207I85-F204 HydrophobicContact CB-CE2 4.25Å; I85-F204 HydrophobicContact CD1-CB 3.98Å; I85-F204 HydrophobicContact CD1-CD1 3.67Å; I85-F204 HydrophobicContact CD1-CD2 3.27Å; I85-F204 HydrophobicContact CD1-CE1 3.86Å; I85-F204 HydrophobicContact CD1-CE2 3.56Å; I85-F204 HydrophobicContact CD1-CG 3.34Å; I85-F204 HydrophobicContact CD1-CZ 3.82Å; I85-F204 HydrophobicContact CG1-CD1 4.15Å; I85-F204 HydrophobicContact CG1-CD2 3.14Å; I85-F204 HydrophobicContact CG1-CE1 3.92Å; I85-F204 HydrophobicContact CG1-CE2 2.93Å; I85-F204 HydrophobicContact CG1-CG 3.77Å; I85-F204 HydrophobicContact CG1-CZ 3.33Å; F204-R207 HydrophobicContact CE1-CB 3.73Å; F204-R207 HydrophobicContact CE1-CG 3.57Å; F204-R207 HydrophobicContact CZ-CB 4.34Å; F204-R207 HydrophobicContact CZ-CG 3.81Å
205P58.7Low77.1Confident29 Ų2937 Ų3719%0.18822%0.217CC..  trans-107.2147.3156.224.9-5.3000110W43 E203W43-P205 HydrophobicContact CB-CG 3.91Å; W43-P205 HydrophobicContact CG-CG 3.7Å; E203-P205 VanDerWaalsContact O-CD 3.26Å; E203-P205 WeakPolarHBondContact O-CD 3.43Å
206F63.1Low76.8Confident19 Ų1939.8 Ų39.88%0.08324%0.235CC..  trans106.516.5154.4-42.8-61.4000120.4W43 E44 L89 M208W43-F206 HydrophobicContact CB-CE2 3.75Å; W43-F206 HydrophobicContact CB-CZ 4.34Å; E44-F206 HydrophobicContact CG-CE1 4.44Å; E44-F206 HydrophobicContact CG-CZ 3.88Å; L89-F206 HydrophobicContact CD1-CD2 3.7Å; L89-F206 HydrophobicContact CD1-CE2 3.99Å; F206-M208 HydrophobicContact CB-CE 4.08Å; F206-M208 HydrophobicContact CD1-CE 3.88Å; F206-M208 HydrophobicContact CD1-SD 4.28Å; F206-M208 HydrophobicContact CG-CE 4.44Å; F206-M208 PolarHBondContact O-N 3.43Å
207R83.5Confident77Confident10 Ų1042.9 Ų42.94%0.03826%0.257CS..  trans-81.5112.5148.7-76.9171.3-159.1-140.817.6108.7Y132 I136 F204 A691 F692 N694Y132-R207 HydrophobicContact CD2-CB 4.41Å; Y132-R207 HydrophobicContact CD2-CG 4.26Å; Y132-R207 HydrophobicContact CE2-CB 4.16Å; Y132-R207 HydrophobicContact CE2-CG 3.85Å; I136-R207 HydrophobicContact CD1-CB 4.09Å; F204-R207 HydrophobicContact CE1-CB 3.73Å; F204-R207 HydrophobicContact CE1-CG 3.57Å; F204-R207 HydrophobicContact CZ-CB 4.34Å; F204-R207 HydrophobicContact CZ-CG 3.81Å; R207-A691 PolarHBondContact NH1-O 3.27Å; R207-A691 PolarHBondContact NH2-O 2.83Å; R207-F692 HydrophobicContact CB-CD2 4.12Å; R207-F692 HydrophobicContact CB-CE2 3.63Å; R207-F692 WeakPolarHBondContact CD-O 3.18Å; R207-F692 HydrophobicContact CG-CE2 4.47Å; R207-F692 PolarHBondContact NE-O 3.16Å; R207-F692 PolarHBondContact NH1-O 2.98Å; R207-F692 PolarHBondContact NH2-O 3.25Å; R207-N694 PolarHBondContact NH2-OXT 3.47Å
208M88.9Confident77.8Confident15 Ų1542.7 Ų42.77%0.07426%0.256CS..  trans-137.8147.5-174.5-60.9176.4-70.100109F150 F206 R284F150-M208 HydrophobicContact CB-CB 3.88Å; F150-M208 HydrophobicContact CB-CE 4.22Å; F150-M208 VanDerWaalsContact CB-O 3.27Å; F150-M208 WeakPolarHBondContact CB-O 3.32Å; F150-M208 HydrophobicContact CD1-CE 3.6Å; F150-M208 HydrophobicContact CD2-CE 3.99Å; F150-M208 HydrophobicContact CE1-CE 4.03Å; F150-M208 HydrophobicContact CE2-CE 4.37Å; F150-M208 HydrophobicContact CG-CB 4.47Å; F150-M208 HydrophobicContact CG-CE 3.63Å; F150-M208 HydrophobicContact CZ-CE 4.42Å; F150-M208 PolarHBondContact N-O 3.29Å; F206-M208 HydrophobicContact CB-CE 4.08Å; F206-M208 HydrophobicContact CD1-CE 3.88Å; F206-M208 HydrophobicContact CD1-SD 4.28Å; F206-M208 HydrophobicContact CG-CE 4.44Å; F206-M208 PolarHBondContact O-N 3.43Å; M208-R284 PolarHBondContact SD-NH1 2.84Å; M208-R284 VanDerWaalsContact SD-NH1 3.43Å; M208-R284 PolarHBondContact SD-NH2 3.18Å
209S93.8Very high78.9Confident24 Ų2439.5 Ų39.517%0.16822%0.221CC..EExtended strand (participates in β ladder)trans-94.9144.1162-175.10000109.4Q147 E148 F211Q147-S209 WeakPolarHBondContact CB-OG 3.26Å; E148-S209 CarbonylContact O-C 3.56Å; E148-S209 WeakPolarHBondContact O-CA 3.38Å; E148-S209 PolarHBondContact O-OG 2.89Å; S209-F211 PolarHBondContact O-N 3.35Å
210V95.9Very high79.7Confident14 Ų1440.9 Ų40.99%0.08523%0.232CC..EExtended strand (participates in β ladder)trans-79.3111.3173.4-176.50000108.8Q147 E148 F150 C153 R212Q147-V210 PolarHBondContact OE1-O 3.41Å; E148-V210 PolarHBondContact O-N 3.4Å; F150-V210 HydrophobicContact CB-CG2 4.25Å; F150-V210 HydrophobicContact CD2-CG2 4.25Å; C153-V210 HydrophobicContact CB-CG2 3.66Å; V210-R212 HydrophobicContact CG1-CG 4.15Å; V210-R212 VanDerWaalsContact CG1-NH1 3.25Å; V210-R212 VanDerWaalsContact CG1-NH2 3.33Å; V210-R212 PolarHBondContact O-N 2.99Å
211F97.6Very high80.5Confident14 Ų1444.3 Ų44.36%0.06124%0.244CC..  trans-71123.8176.5-176.3-96.8000110.8V138 W139 S209 M213 E276 F279 G280 F283 L321V138-F211 HydrophobicContact CB-CD2 4.22Å; V138-F211 HydrophobicContact CB-CE2 4.41Å; V138-F211 HydrophobicContact CG1-CD2 4.36Å; V138-F211 HydrophobicContact CG1-CE2 4.06Å; V138-F211 HydrophobicContact CG2-CD2 3.92Å; V138-F211 HydrophobicContact CG2-CE2 4.39Å; W139-F211 HydrophobicContact CE3-CE2 4.34Å; W139-F211 HydrophobicContact CH2-CD2 4.42Å; W139-F211 AromaticContact CH2-CE2 3.42Å; W139-F211 HydrophobicContact CH2-CE2 3.42Å; W139-F211 VanDerWaalsContact CH2-CE2 3.42Å; W139-F211 AromaticContact CH2-CZ 3.56Å; W139-F211 HydrophobicContact CH2-CZ 3.56Å; W139-F211 HydrophobicContact CZ2-CE2 4.49Å; W139-F211 AromaticContact CZ3-CD2 3.9Å; W139-F211 HydrophobicContact CZ3-CD2 3.9Å; W139-F211 AromaticContact CZ3-CE2 3.32Å; W139-F211 HydrophobicContact CZ3-CE2 3.32Å; W139-F211 AromaticContact CZ3-CZ 3.79Å; W139-F211 HydrophobicContact CZ3-CZ 3.79Å; S209-F211 PolarHBondContact O-N 3.35Å; F211-M213 HydrophobicContact CE1-CB 3.91Å; F211-M213 HydrophobicContact CE1-CG 3.76Å; F211-M213 HydrophobicContact CE1-SD 3.62Å; F211-M213 HydrophobicContact CZ-CB 3.98Å; F211-M213 HydrophobicContact CZ-CG 4.18Å; F211-M213 HydrophobicContact CZ-SD 3.8Å; F211-E276 HydrophobicContact CD1-CG 3.86Å; F211-E276 VanDerWaalsContact CD1-O 3.24Å; F211-E276 WeakPolarHBondContact CD1-O 3.35Å; F211-E276 HydrophobicContact CE1-CG 4.02Å; F211-E276 WeakPolarHBondContact CE1-O 3.38Å; F211-F279 HydrophobicContact CE1-CB 3.88Å; F211-F279 HydrophobicContact CZ-CB 3.93Å; F211-G280 VanDerWaalsContact CB-CA 3.46Å; F211-G280 VanDerWaalsContact CD1-CA 3.48Å; F211-F283 AromaticContact CE2-CD2 3.9Å; F211-F283 HydrophobicContact CE2-CD2 3.9Å; F211-F283 HydrophobicContact CZ-CD2 4.12Å; F211-L321 HydrophobicContact CZ-CD2 4.5Å
212R97.1Very high81.3Confident20 Ų2045.6 Ų45.68%0.07527%0.268CS..  trans-137.7126.4175.1-63.5-65.1178.1-110.910.4109.6W139 H145 Q147 V210 E238 E276W139-R212 WeakPolarHBondContact CZ3-O 3.38Å; H145-R212 HydrophobicContact CB-CB 3.96Å; Q147-R212 PolarHBondContact NE2-O 3.08Å; V210-R212 HydrophobicContact CG1-CG 4.15Å; V210-R212 VanDerWaalsContact CG1-NH1 3.25Å; V210-R212 VanDerWaalsContact CG1-NH2 3.33Å; V210-R212 PolarHBondContact O-N 2.99Å; R212-E238 IonicContact CZ-OE1 3.94Å; R212-E238 IonicContact CZ-OE2 2.73Å; R212-E238 VanDerWaalsContact NH1-CD 3.31Å; R212-E238 IonicContact NH1-OE1 3.29Å; R212-E238 PolarHBondContact NH1-OE1 3.49Å; R212-E238 IonicContact NH1-OE2 3.1Å; R212-E238 PolarHBondContact NH1-OE2 2.93Å; R212-E238 VanDerWaalsContact NH2-CD 3.34Å; R212-E238 IonicContact NH2-OE1 3.56Å; R212-E238 PolarHBondContact NH2-OE1 3.37Å; R212-E238 IonicContact NH2-OE2 2.8Å; R212-E238 PolarHBondContact NH2-OE2 3.3Å; R212-E276 WeakPolarHBondContact CA-OE1 3.41Å
213M96.4Very high82.3Confident0 Ų047 Ų470%027%0.266CS..  trans-131.9-33.718074.2178.1-70.200113.9W139 H145 F211 E276 F279 A317 I320 L321 R324W139-M213 HydrophobicContact CH2-CB 3.86Å; W139-M213 HydrophobicContact CZ3-CB 4.17Å; H145-M213 PolarHBondContact CD2-O 2.98Å; H145-M213 VanDerWaalsContact CD2-O 3.29Å; H145-M213 PolarHBondContact NE2-O 3.16Å; F211-M213 HydrophobicContact CE1-CB 3.91Å; F211-M213 HydrophobicContact CE1-CG 3.76Å; F211-M213 HydrophobicContact CE1-SD 3.62Å; F211-M213 HydrophobicContact CZ-CB 3.98Å; F211-M213 HydrophobicContact CZ-CG 4.18Å; F211-M213 HydrophobicContact CZ-SD 3.8Å; M213-E276 HydrophobicContact CG-CG 4.08Å; M213-E276 PolarHBondContact N-OE1 3.34Å; M213-F279 HydrophobicContact SD-CD2 4.15Å; M213-A317 HydrophobicContact CE-CB 3.73Å; M213-I320 HydrophobicContact CE-CB 3.98Å; M213-I320 HydrophobicContact CE-CD1 4.46Å; M213-I320 HydrophobicContact CE-CG2 3.87Å; M213-L321 HydrophobicContact CE-CD2 4.24Å; M213-L321 HydrophobicContact CE-CG 4.21Å; M213-R324 PolarHBondContact O-NH1 3.34Å; M213-R324 PolarHBondContact O-NH2 3.25Å; M213-R324 VanDerWaalsContact O-NH2 3.08Å
214F94.7Very high83.4Confident10 Ų1042.5 Ų42.54%0.04425%0.25CC..  trans-96.1147.8-175.9-66.5-56.2000112.8D218 L226 Y272 E276 V313 A317 I320F214-D218 WeakPolarHBondContact CA-OD2 3.28Å; F214-D218 HydrophobicContact CB-CB 4.46Å; F214-D218 HydrophobicContact CD1-CB 3.98Å; F214-L226 HydrophobicContact CB-CD1 4.1Å; F214-Y272 AromaticContact CD1-CD1 3.92Å; F214-Y272 HydrophobicContact CD1-CD1 3.92Å; F214-Y272 HydrophobicContact CD1-CE1 4.39Å; F214-Y272 HydrophobicContact CD2-CD1 4.02Å; F214-Y272 AromaticContact CE1-CD1 3.88Å; F214-Y272 HydrophobicContact CE1-CD1 3.88Å; F214-Y272 HydrophobicContact CE1-CE1 4.2Å; F214-Y272 HydrophobicContact CE2-CD1 4Å; F214-Y272 WeakPolarHBondContact CE2-O 3.44Å; F214-Y272 AromaticContact CG-CD1 3.99Å; F214-Y272 HydrophobicContact CG-CD1 3.99Å; F214-Y272 AromaticContact CZ-CD1 3.92Å; F214-Y272 HydrophobicContact CZ-CD1 3.92Å; F214-E276 HydrophobicContact CD2-CB 3.84Å; F214-E276 HydrophobicContact CD2-CG 4.39Å; F214-E276 HydrophobicContact CE2-CB 4.04Å; F214-E276 PolarHBondContact N-OE1 3.47Å; F214-E276 VanDerWaalsContact N-OE1 3.08Å; F214-V313 HydrophobicContact CZ-CG1 4.03Å; F214-A317 HydrophobicContact CE1-CB 4.4Å; F214-A317 HydrophobicContact CZ-CB 3.93Å; F214-I320 HydrophobicContact CD1-CD1 3.83Å; F214-I320 HydrophobicContact CE1-CD1 3.82Å
215D87.1Confident84.7Confident47 Ų4746 Ų4625%0.25127%0.271SS..  trans-113.5176.2167.367.733.8000112.5S217 D218 L226D215-S217 PolarHBondContact O-N 3.44Å; D215-S217 VanDerWaalsContact OD1-CA 3.26Å; D215-S217 WeakPolarHBondContact OD1-CA 3.36Å; D215-S217 WeakPolarHBondContact OD1-CB 3.48Å; D215-S217 PolarHBondContact OD1-N 3.36Å; D215-S217 PolarHBondContact OD1-OG 3.3Å; D215-S217 PolarHBondContact OD2-OG 3.07Å; D215-S217 VanDerWaalsContact OD2-OG 3.11Å; D215-D218 PolarHBondContact N-OD2 3.26Å; D215-D218 WeakPolarHBondContact O-CB 3.41Å; D215-D218 PolarHBondContact O-N 3.43Å; D215-D218 PolarHBondContact OD1-N 2.91Å; D215-L226 VanDerWaalsContact O-CD1 3.23Å; D215-L226 WeakPolarHBondContact O-CD1 3.23Å
216T86.1Confident86.1Confident77 Ų7745.5 Ų45.547%0.47227%0.266SS..SBendtrans-67.2-27.3179.6-31.50000112.1D218 C219 L225T216-D218 VanDerWaalsContact C-N 3.34Å; T216-C219 PolarHBondContact O-N 3.06Å; T216-L225 HydrophobicContact CG2-CB 4.39Å; T216-L225 HydrophobicContact CG2-CD2 3.47Å; T216-L225 VanDerWaalsContact CG2-CD2 3.47Å
217S88.6Confident87.3Confident102 Ų10245.7 Ų45.771%0.71327%0.269SS*.THydrogen-bonded Turntrans-75.1-21176.135.40000113.7D215 C219D215-S217 PolarHBondContact O-N 3.44Å; D215-S217 VanDerWaalsContact OD1-CA 3.26Å; D215-S217 WeakPolarHBondContact OD1-CA 3.36Å; D215-S217 WeakPolarHBondContact OD1-CB 3.48Å; D215-S217 PolarHBondContact OD1-N 3.36Å; D215-S217 PolarHBondContact OD1-OG 3.3Å; D215-S217 PolarHBondContact OD2-OG 3.07Å; D215-S217 VanDerWaalsContact OD2-OG 3.11Å; S217-C219 PolarHBondContact O-N 2.97Å
218D90.9Very high87.7Confident30 Ų3050.1 Ų50.116%0.1629%0.294CS..THydrogen-bonded Turntrans-70-22.5172.7-73.3-49.7000112.2F214 D215 T216 Y272 Q316F214-D218 WeakPolarHBondContact CA-OD2 3.28Å; F214-D218 HydrophobicContact CB-CB 4.46Å; F214-D218 HydrophobicContact CD1-CB 3.98Å; D215-D218 PolarHBondContact N-OD2 3.26Å; D215-D218 WeakPolarHBondContact O-CB 3.41Å; D215-D218 PolarHBondContact O-N 3.43Å; D215-D218 PolarHBondContact OD1-N 2.91Å; T216-D218 VanDerWaalsContact C-N 3.34Å; D218-Y272 HydrophobicContact CB-CE1 4.39Å; D218-Y272 VanDerWaalsContact O-CE1 3.23Å; D218-Y272 WeakPolarHBondContact O-CE1 3.48Å; D218-Y272 PolarHBondContact O-OH 3.17Å; D218-Q316 VanDerWaalsContact CB-NE2 3.32Å; D218-Q316 PolarHBondContact O-NE2 3.16Å; D218-Q316 PolarHBondContact O-OE1 3.49Å; D218-Q316 PolarHBondContact OD1-NE2 3.25Å; D218-Q316 VanDerWaalsContact OD1-NE2 3.11Å
219C89.6Confident87.9Confident14 Ų1453.1 Ų53.110%0.09531%0.306CS..SBendtrans-88.3140.7-175.3-65.20000111.7T216 S217 P269T216-C219 PolarHBondContact O-N 3.06Å; S217-C219 PolarHBondContact O-N 2.97Å; C219-P269 HydrophobicContact CB-CB 4.3Å; C219-P269 HydrophobicContact CB-CG 4.36Å
220P82.9Confident88Confident48 Ų4854.1 Ų54.131%0.31231%0.308SS..PPolyproline II helixtrans-63.7140178.9-19.431.7000111.7G222 K223 Y272P220-G222 PolarHBondContact O-N 3.04Å; P220-K223 HydrophobicContact CB-CD 4.15Å; P220-K223 HydrophobicContact CB-CG 4.22Å; P220-K223 HydrophobicContact CG-CD 4Å; P220-K223 PolarHBondContact O-N 2.6Å; P220-Y272 VanDerWaalsContact CD-CE2 3.49Å; P220-Y272 WeakPolarHBondContact CD-OH 3.49Å; P220-Y272 HydrophobicContact CG-CE2 4.23Å
221E74.9Confident88Confident202 Ų20254.4 Ų54.494%0.94431%0.311SS*.THydrogen-bonded Turntrans-53.8136173.7-68.1-173.7173.700111.2K223E221-K223 VanDerWaalsContact C-N 3.34Å; E221-K223 PolarHBondContact O-N 3.02Å
222G74.6Confident87.9Confident69 Ų6953.9 Ų53.971%0.71131%0.308SS*.THydrogen-bonded Turntrans83.3-5.5178.900000116.1P220 G224 N267P220-G222 PolarHBondContact O-N 3.04Å; G222-G224 VanDerWaalsContact C-N 3.27Å; G222-G224 PolarHBondContact O-N 3.14Å; G222-N267 PolarHBondContact O-ND2 3.38Å
223K73.7Confident87.7Confident76 Ų7654.9 Ų54.933%0.3331%0.314SS..SBendtrans-89.219.1174.3-67.8-161.4-180-1790114.4P220 E221 M268 T309P220-K223 HydrophobicContact CB-CD 4.15Å; P220-K223 HydrophobicContact CB-CG 4.22Å; P220-K223 HydrophobicContact CG-CD 4Å; P220-K223 PolarHBondContact O-N 2.6Å; E221-K223 VanDerWaalsContact C-N 3.34Å; E221-K223 PolarHBondContact O-N 3.02Å; K223-M268 CarbonylContact O-C 3.36Å; K223-T309 PolarHBondContact NZ-OG1 3.3Å
224G77.2Confident87.5Confident21 Ų2155.3 Ų55.322%0.21632%0.316CS..  trans86-177.6-175.900000113G222 N267G222-G224 VanDerWaalsContact C-N 3.27Å; G222-G224 PolarHBondContact O-N 3.14Å; G224-N267 VanDerWaalsContact CA-O 3.22Å; G224-N267 WeakPolarHBondContact CA-O 3.36Å; G224-N267 PolarHBondContact N-ND2 2.8Å
225L84.1Confident87.6Confident126 Ų12655.3 Ų55.366%0.6632%0.316SS*.  trans-111.2144.1178.2-62.5169.7000109T216T216-L225 HydrophobicContact CG2-CB 4.39Å; T216-L225 HydrophobicContact CG2-CD2 3.47Å; T216-L225 VanDerWaalsContact CG2-CD2 3.47Å
226L87.8Confident87.9Confident17 Ų1753.3 Ų53.39%0.08931%0.305CS..PPolyproline II helixtrans-60.9129.8166.6-77.3170000108.6F214 D215 P269 I273F214-L226 HydrophobicContact CB-CD1 4.1Å; D215-L226 VanDerWaalsContact O-CD1 3.23Å; D215-L226 WeakPolarHBondContact O-CD1 3.23Å; L226-P269 HydrophobicContact CD2-CG 3.7Å; L226-P269 HydrophobicContact CG-CG 3.9Å; L226-I273 HydrophobicContact CD2-CD1 3.95Å; L226-I273 HydrophobicContact CD2-CG1 3.5Å; L226-I273 VanDerWaalsContact CD2-CG1 3.5Å
227P88.9Confident88.2Confident24 Ų2449.7 Ų49.716%0.15628%0.283CS..PPolyproline II helixtrans-57.8143172.6-22.632.9000110.4K229 R234 M268P227-K229 PolarHBondContact O-N 3.27Å; P227-R234 HydrophobicContact CB-CB 4Å; P227-R234 PolarHBondContact O-NH1 3.35Å; P227-M268 HydrophobicContact CG-SD 3.88Å
228D91.2Very high88.5Confident103 Ų10345.8 Ų45.855%0.55125%0.253SS*.PPolyproline II helixtrans-54.2136.1178.1-179.4-90.1000110.2H230 S231 R234D228-H230 PolarHBondContact O-N 2.93Å; D228-H230 VanDerWaalsContact O-N 3.14Å; D228-H230 WeakPolarHBondContact OD1-CA 3.41Å; D228-H230 WeakPolarHBondContact OD1-CB 3.27Å; D228-H230 PolarHBondContact OD1-N 2.77Å; D228-S231 WeakPolarHBondContact O-CB 3.15Å; D228-S231 PolarHBondContact O-N 2.71Å; D228-S231 PolarHBondContact O-OG 3.22Å; D228-S231 PolarHBondContact OD1-N 3.37Å; D228-R234 VanDerWaalsContact O-CB 3.24Å; D228-R234 WeakPolarHBondContact O-CB 3.48Å
229K93.2Very high88.6Confident78 Ų7845.2 Ų45.234%0.33925%0.249SC..THydrogen-bonded Turntrans-61.5-25.6-174.262.1170.5-176.6161.40113.4E148 Q157 P227E148-K229 IonicContact OE1-NZ 2.63Å; E148-K229 PolarHBondContact OE1-NZ 3.29Å; Q157-K229 PolarHBondContact NE2-O 3.16Å; P227-K229 PolarHBondContact O-N 3.27Å
230H95.8Very high88.8Confident45 Ų4544.7 Ų44.721%0.20825%0.246CC..THydrogen-bonded Turntrans-10313.5177.2-61.4151000112.5E148 L156 Q157 A160 D228E148-H230 VanDerWaalsContact CD-NE2 3.33Å; E148-H230 IonicContact OE1-CE1 3.54Å; E148-H230 IonicContact OE1-NE2 3.74Å; E148-H230 PolarHBondContact OE1-NE2 3.25Å; E148-H230 VanDerWaalsContact OE1-NE2 3.08Å; E148-H230 IonicContact OE2-CD2 2.62Å; E148-H230 IonicContact OE2-CE1 3Å; E148-H230 IonicContact OE2-NE2 3.73Å; E148-H230 PolarHBondContact OE2-NE2 2.85Å; L156-H230 HydrophobicContact CB-CB 4.44Å; L156-H230 WeakPolarHBondContact CD1-NE2 3.26Å; Q157-H230 WeakPolarHBondContact CA-O 3.15Å; A160-H230 WeakPolarHBondContact CB-O 2.98Å; D228-H230 PolarHBondContact O-N 2.93Å; D228-H230 VanDerWaalsContact O-N 3.14Å; D228-H230 WeakPolarHBondContact OD1-CA 3.41Å; D228-H230 WeakPolarHBondContact OD1-CB 3.27Å; D228-H230 PolarHBondContact OD1-N 2.77Å
231S94.7Very high89.4Confident19 Ų1942.5 Ų42.513%0.13323%0.231CC..SBendtrans-79.9146.8165.267.80000111.4D228 E233 R234D228-S231 WeakPolarHBondContact O-CB 3.15Å; D228-S231 PolarHBondContact O-N 2.71Å; D228-S231 PolarHBondContact O-OG 3.22Å; D228-S231 PolarHBondContact OD1-N 3.37Å; S231-E233 VanDerWaalsContact C-N 3.28Å; S231-R234 WeakPolarHBondContact O-CB 3.21Å; S231-R234 PolarHBondContact O-N 3.34Å; S231-R234 WeakPolarHBondContact OG-CB 3.41Å; S231-R234 PolarHBondContact OG-N 3.43Å
232I96Very high90.3Very high3 Ų334.8 Ų34.82%0.01520%0.196CC..Hα-helixtrans-70.3-30.8175.3-164.363.5000111.5P99 L154 Q157 I158 L161 D168 R234 F235 L236P99-I232 HydrophobicContact CB-CD1 4.17Å; P99-I232 HydrophobicContact CB-CG1 3.88Å; P99-I232 HydrophobicContact CG-CD1 3.55Å; P99-I232 HydrophobicContact CG-CG1 3.84Å; L154-I232 HydrophobicContact CD1-CD1 4.3Å; Q157-I232 HydrophobicContact CB-CD1 4.06Å; I158-I232 HydrophobicContact CD1-CD1 4.06Å; L161-I232 HydrophobicContact CB-CB 4.23Å; L161-I232 HydrophobicContact CB-CG2 4.22Å; L161-I232 HydrophobicContact CD1-CG2 3.97Å; L161-I232 HydrophobicContact CD2-CB 4.45Å; L161-I232 HydrophobicContact CD2-CG1 4.14Å; L161-I232 HydrophobicContact CD2-CG2 4.31Å; L161-I232 HydrophobicContact CG-CG2 4.38Å; D168-I232 HydrophobicContact CB-CG2 3.98Å; I232-R234 PolarHBondContact O-N 3.5Å; I232-F235 HydrophobicContact CD1-CB 4.25Å; I232-F235 HydrophobicContact CD1-CD1 3.75Å; I232-F235 HydrophobicContact CD1-CG 4.33Å; I232-F235 WeakPolarHBondContact O-CB 3.17Å; I232-F235 PolarHBondContact O-N 3.26Å; I232-F235 VanDerWaalsContact O-N 3.1Å; I232-L236 HydrophobicContact CG1-CD1 4.18Å; I232-L236 HydrophobicContact CG1-CG 4.2Å; I232-L236 WeakPolarHBondContact O-CG 3.37Å; I232-L236 PolarHBondContact O-N 3.45Å
233E92.5Very high91.2Very high42 Ų4232.7 Ų32.720%0.19617%0.167CC..Hα-helixtrans-55.1-41.8173.7-72.175-174.400111.4S169 S231 F235 L236 L237S169-E233 PolarHBondContact N-OE1 3.3Å; S169-E233 WeakPolarHBondContact OG-CG 3.48Å; S169-E233 PolarHBondContact OG-OE1 2.71Å; S231-E233 VanDerWaalsContact C-N 3.28Å; E233-F235 VanDerWaalsContact C-N 3.34Å; E233-F235 PolarHBondContact O-N 2.86Å; E233-L236 PolarHBondContact O-N 3.22Å; E233-L237 VanDerWaalsContact O-CB 3.31Å; E233-L237 WeakPolarHBondContact O-CB 3.12Å; E233-L237 PolarHBondContact O-N 3.02Å
234R93.7Very high92.2Very high8 Ų829.3 Ų29.33%0.0315%0.152CC..Hα-helixtrans-60.6-45.3176.7-177.162.9-173.7-114.4-0.9111.7P227 D228 S231 I232 E238 E276P227-R234 HydrophobicContact CB-CB 4Å; P227-R234 PolarHBondContact O-NH1 3.35Å; D228-R234 VanDerWaalsContact O-CB 3.24Å; D228-R234 WeakPolarHBondContact O-CB 3.48Å; S231-R234 WeakPolarHBondContact O-CB 3.21Å; S231-R234 PolarHBondContact O-N 3.34Å; S231-R234 WeakPolarHBondContact OG-CB 3.41Å; S231-R234 PolarHBondContact OG-N 3.43Å; I232-R234 PolarHBondContact O-N 3.5Å; R234-E238 IonicContact CZ-OE1 3.49Å; R234-E238 VanDerWaalsContact CZ-OE1 3.23Å; R234-E238 IonicContact NE-OE1 2.64Å; R234-E238 PolarHBondContact NE-OE1 3.13Å; R234-E238 IonicContact NH2-OE1 3.15Å; R234-E238 PolarHBondContact NH2-OE1 3.2Å; R234-E238 WeakPolarHBondContact O-CG 3.34Å; R234-E238 PolarHBondContact O-N 2.95Å; R234-E238 VanDerWaalsContact O-N 3.1Å; R234-E276 IonicContact CZ-OE2 3.16Å; R234-E276 IonicContact NH2-OE2 3.52Å; R234-E276 PolarHBondContact NH2-OE2 3.4Å
235F95.3Very high93.1Very high10 Ų1028.3 Ų28.34%0.04414%0.142CC..Hα-helixtrans-64.4-48178.4166.1-101.5000112.4R96 F150 L154 Q157 I232 E233 L237 E238 Q239R96-F235 HydrophobicContact CG-CZ 3.94Å; F150-F235 HydrophobicContact CE2-CE2 4.1Å; F150-F235 HydrophobicContact CZ-CE2 4.01Å; L154-F235 HydrophobicContact CD1-CD1 3.85Å; L154-F235 HydrophobicContact CD1-CD2 3.81Å; L154-F235 HydrophobicContact CD1-CE1 3.99Å; L154-F235 HydrophobicContact CD1-CE2 3.96Å; L154-F235 HydrophobicContact CD1-CG 3.77Å; L154-F235 HydrophobicContact CD1-CZ 4.06Å; L154-F235 HydrophobicContact CD2-CE2 4.36Å; L154-F235 HydrophobicContact CD2-CZ 4.39Å; Q157-F235 VanDerWaalsContact OE1-CB 3.23Å; I232-F235 HydrophobicContact CD1-CB 4.25Å; I232-F235 HydrophobicContact CD1-CD1 3.75Å; I232-F235 HydrophobicContact CD1-CG 4.33Å; I232-F235 WeakPolarHBondContact O-CB 3.17Å; I232-F235 PolarHBondContact O-N 3.26Å; I232-F235 VanDerWaalsContact O-N 3.1Å; E233-F235 VanDerWaalsContact C-N 3.34Å; E233-F235 PolarHBondContact O-N 2.86Å; F235-L237 VanDerWaalsContact C-N 3.3Å; F235-L237 PolarHBondContact O-N 2.69Å; F235-E238 PolarHBondContact O-N 3.45Å; F235-Q239 HydrophobicContact CZ-CB 4.35Å; F235-Q239 HydrophobicContact CZ-CG 4.35Å; F235-Q239 VanDerWaalsContact O-CB 3.26Å; F235-Q239 WeakPolarHBondContact O-CB 3.48Å; F235-Q239 PolarHBondContact O-N 3.49Å
236L93.9Very high93.6Very high5 Ų524 Ų243%0.02612%0.12CC..Hα-helixtrans-62.5-40-178.1-65.8174.3000111.6P99 Y170 Y171 I232 E233 Q239 D240P99-L236 HydrophobicContact CB-CD1 4.41Å; P99-L236 HydrophobicContact CB-CD2 4.06Å; Y170-L236 HydrophobicContact CD1-CB 3.52Å; Y170-L236 HydrophobicContact CD1-CD1 3.91Å; Y170-L236 HydrophobicContact CD1-CG 4.34Å; Y170-L236 HydrophobicContact CD2-CB 4.45Å; Y170-L236 HydrophobicContact CE1-CB 3.67Å; Y170-L236 HydrophobicContact CG-CB 3.93Å; Y170-L236 HydrophobicContact CG-CD1 4.19Å; Y171-L236 HydrophobicContact CD2-CD1 3.95Å; Y171-L236 HydrophobicContact CE2-CB 4.35Å; Y171-L236 HydrophobicContact CE2-CD1 3.61Å; Y171-L236 HydrophobicContact CE2-CD2 3.66Å; Y171-L236 HydrophobicContact CE2-CG 4.06Å; I232-L236 HydrophobicContact CG1-CD1 4.18Å; I232-L236 HydrophobicContact CG1-CG 4.2Å; I232-L236 WeakPolarHBondContact O-CG 3.37Å; I232-L236 PolarHBondContact O-N 3.45Å; E233-L236 PolarHBondContact O-N 3.22Å; L236-Q239 PolarHBondContact O-N 3.33Å; L236-D240 WeakPolarHBondContact O-CB 3.34Å; L236-D240 PolarHBondContact O-N 3.49Å
237L92.9Very high93.8Very high1 Ų127.5 Ų27.51%0.00513%0.134CC..Hα-helixtrans-60.2-51.6173177.166000112.7Y170 E233 F235 Q239 D240 L241 Y262 M268 L270 I273Y170-L237 HydrophobicContact CE2-CB 3.82Å; Y170-L237 HydrophobicContact CE2-CD1 4.22Å; Y170-L237 VanDerWaalsContact OH-CA 3.31Å; Y170-L237 WeakPolarHBondContact OH-CA 3.49Å; E233-L237 VanDerWaalsContact O-CB 3.31Å; E233-L237 WeakPolarHBondContact O-CB 3.12Å; E233-L237 PolarHBondContact O-N 3.02Å; F235-L237 VanDerWaalsContact C-N 3.3Å; F235-L237 PolarHBondContact O-N 2.69Å; L237-Q239 VanDerWaalsContact C-N 3.27Å; L237-Q239 PolarHBondContact O-N 3.47Å; L237-D240 PolarHBondContact O-N 2.73Å; L237-L241 HydrophobicContact CD1-CD1 4.13Å; L237-L241 HydrophobicContact CD1-CG 4.39Å; L237-L241 HydrophobicContact CG-CD1 4.28Å; L237-L241 WeakPolarHBondContact O-CG 3.3Å; L237-L241 PolarHBondContact O-N 2.96Å; L237-L241 VanDerWaalsContact O-N 3.13Å; L237-Y262 HydrophobicContact CD1-CE1 3.92Å; L237-M268 HydrophobicContact CD1-CE 3.88Å; L237-M268 HydrophobicContact CD2-CE 3.26Å; L237-M268 HydrophobicContact CD2-SD 4.19Å; L237-M268 HydrophobicContact CG-CE 4.19Å; L237-L270 HydrophobicContact CD1-CD1 4.49Å; L237-I273 HydrophobicContact CD2-CD1 3.48Å; L237-I273 VanDerWaalsContact CD2-CD1 3.48Å; L237-I273 HydrophobicContact CD2-CG2 3.92Å; L237-I273 HydrophobicContact CG-CG2 4.34Å
238E94.9Very high94.1Very high21 Ų2126.5 Ų26.510%0.09813%0.128CC..Hα-helixtrans-61.4-41.6179.4-72.2-179.517300111.1R212 R234 F235 D240 L241 I242 I273 I277R212-E238 IonicContact CZ-OE1 3.94Å; R212-E238 IonicContact CZ-OE2 2.73Å; R212-E238 VanDerWaalsContact NH1-CD 3.31Å; R212-E238 IonicContact NH1-OE1 3.29Å; R212-E238 PolarHBondContact NH1-OE1 3.49Å; R212-E238 IonicContact NH1-OE2 3.1Å; R212-E238 PolarHBondContact NH1-OE2 2.93Å; R212-E238 VanDerWaalsContact NH2-CD 3.34Å; R212-E238 IonicContact NH2-OE1 3.56Å; R212-E238 PolarHBondContact NH2-OE1 3.37Å; R212-E238 IonicContact NH2-OE2 2.8Å; R212-E238 PolarHBondContact NH2-OE2 3.3Å; R234-E238 IonicContact CZ-OE1 3.49Å; R234-E238 VanDerWaalsContact CZ-OE1 3.23Å; R234-E238 IonicContact NE-OE1 2.64Å; R234-E238 PolarHBondContact NE-OE1 3.13Å; R234-E238 IonicContact NH2-OE1 3.15Å; R234-E238 PolarHBondContact NH2-OE1 3.2Å; R234-E238 WeakPolarHBondContact O-CG 3.34Å; R234-E238 PolarHBondContact O-N 2.95Å; R234-E238 VanDerWaalsContact O-N 3.1Å; F235-E238 PolarHBondContact O-N 3.45Å; E238-D240 PolarHBondContact O-N 2.91Å; E238-L241 PolarHBondContact O-N 2.99Å; E238-I242 WeakPolarHBondContact O-CB 2.92Å; E238-I242 WeakPolarHBondContact O-CD1 3.24Å; E238-I242 WeakPolarHBondContact O-CG1 3.49Å; E238-I242 PolarHBondContact O-N 2.86Å; E238-I273 HydrophobicContact CG-CG2 4.48Å; E238-I277 HydrophobicContact CB-CD1 4.11Å; E238-I277 HydrophobicContact CB-CG1 4.45Å; E238-I277 HydrophobicContact CG-CD1 3.95Å; E238-I277 HydrophobicContact CG-CG1 4.13Å
239Q93.8Very high94.3Very high17 Ų1726.7 Ų26.78%0.07912%0.121CC..Hα-helixtrans-62.1-43.6179.1-170.161.742.300112.2F235 L236 L237 I242 W243F235-Q239 HydrophobicContact CZ-CB 4.35Å; F235-Q239 HydrophobicContact CZ-CG 4.35Å; F235-Q239 VanDerWaalsContact O-CB 3.26Å; F235-Q239 WeakPolarHBondContact O-CB 3.48Å; F235-Q239 PolarHBondContact O-N 3.49Å; L236-Q239 PolarHBondContact O-N 3.33Å; L237-Q239 VanDerWaalsContact C-N 3.27Å; L237-Q239 PolarHBondContact O-N 3.47Å; Q239-I242 PolarHBondContact O-N 3.35Å; Q239-W243 HydrophobicContact CG-CD2 4.01Å; Q239-W243 HydrophobicContact CG-CE3 3.98Å; Q239-W243 HydrophobicContact CG-CH2 3.84Å; Q239-W243 HydrophobicContact CG-CZ2 3.81Å; Q239-W243 HydrophobicContact CG-CZ3 3.92Å; Q239-W243 PolarHBondContact O-N 3Å
240D92.5Very high94.5Very high4 Ų428.3 Ų28.32%0.02114%0.138CC..Hα-helixtrans-62.6-44.6177.1-88.2-7.2000112.5Y3 Y170 L236 L237 E238 W243 L244 Y262Y3-D240 VanDerWaalsContact CA-OD1 3.29Å; Y3-D240 WeakPolarHBondContact CA-OD1 3.36Å; Y3-D240 WeakPolarHBondContact CB-OD1 3.4Å; Y170-D240 WeakPolarHBondContact CE1-OD2 3.42Å; Y170-D240 PolarHBondContact OH-OD2 3.48Å; L236-D240 WeakPolarHBondContact O-CB 3.34Å; L236-D240 PolarHBondContact O-N 3.49Å; L237-D240 PolarHBondContact O-N 2.73Å; E238-D240 PolarHBondContact O-N 2.91Å; D240-W243 PolarHBondContact O-N 3.26Å; D240-L244 WeakPolarHBondContact O-CB 3.38Å; D240-L244 PolarHBondContact O-N 3.48Å; D240-Y262 HydrophobicContact CB-CE2 4.2Å; D240-Y262 PolarHBondContact OD2-OH 3.31Å
241L95.2Very high94.5Very high1 Ų129.6 Ų29.61%0.00515%0.146CC..Hα-helixtrans-67.9-39179.4-65.6177.1000111.5L237 E238 L244 I245 L259 Y262 L270 I273 I277L237-L241 HydrophobicContact CD1-CD1 4.13Å; L237-L241 HydrophobicContact CD1-CG 4.39Å; L237-L241 HydrophobicContact CG-CD1 4.28Å; L237-L241 WeakPolarHBondContact O-CG 3.3Å; L237-L241 PolarHBondContact O-N 2.96Å; L237-L241 VanDerWaalsContact O-N 3.13Å; E238-L241 PolarHBondContact O-N 2.99Å; L241-L244 PolarHBondContact O-N 2.89Å; L241-I245 WeakPolarHBondContact O-CG1 3.46Å; L241-I245 PolarHBondContact O-N 3.25Å; L241-L259 HydrophobicContact CB-CD2 4.41Å; L241-L259 HydrophobicContact CD2-CD2 3.84Å; L241-Y262 HydrophobicContact CD2-CD1 3.89Å; L241-Y262 HydrophobicContact CD2-CD2 3.94Å; L241-Y262 HydrophobicContact CD2-CE1 4.3Å; L241-Y262 HydrophobicContact CD2-CE2 4.34Å; L241-Y262 HydrophobicContact CD2-CG 3.71Å; L241-L270 HydrophobicContact CD1-CD1 3.96Å; L241-L270 HydrophobicContact CD2-CD1 4.42Å; L241-I273 HydrophobicContact CD1-CG2 4.09Å; L241-I277 HydrophobicContact CB-CD1 3.65Å; L241-I277 HydrophobicContact CD1-CD1 3.6Å; L241-I277 HydrophobicContact CG-CD1 4.25Å
242I95.3Very high94.7Very high40 Ų4030.1 Ų30.121%0.20515%0.149CC..Hα-helixtrans-60.2-47.7172.7-70.4165.1000110.3E238 Q239 L244 I245 D246 I277 L281E238-I242 WeakPolarHBondContact O-CB 2.92Å; E238-I242 WeakPolarHBondContact O-CD1 3.24Å; E238-I242 WeakPolarHBondContact O-CG1 3.49Å; E238-I242 PolarHBondContact O-N 2.86Å; Q239-I242 PolarHBondContact O-N 3.35Å; I242-L244 VanDerWaalsContact C-N 3.26Å; I242-L244 PolarHBondContact O-N 3.06Å; I242-I245 WeakPolarHBondContact O-CB 3.44Å; I242-I245 PolarHBondContact O-N 3.36Å; I242-I245 VanDerWaalsContact O-N 3.13Å; I242-D246 PolarHBondContact O-N 2.89Å; I242-I277 HydrophobicContact CD1-CG2 4.44Å; I242-I277 HydrophobicContact CG1-CG2 3.64Å; I242-L281 HydrophobicContact CG1-CD1 4.46Å
243W93.1Very high94.8Very high26 Ų2636.5 Ų36.510%0.09818%0.177CC..Hα-helixtrans-62-33.4176.3-74.5-30.4000113.3P2 M5 I48 Q239 D240 K247P2-W243 HydrophobicContact CB-CD2 3.48Å; P2-W243 VanDerWaalsContact CB-CD2 3.48Å; P2-W243 HydrophobicContact CB-CE3 3.48Å; P2-W243 VanDerWaalsContact CB-CE3 3.48Å; P2-W243 HydrophobicContact CB-CG 4.13Å; P2-W243 HydrophobicContact CB-CH2 3.64Å; P2-W243 HydrophobicContact CB-CZ2 3.66Å; P2-W243 HydrophobicContact CB-CZ3 3.55Å; P2-W243 HydrophobicContact CG-CD2 3.98Å; P2-W243 HydrophobicContact CG-CE3 4.41Å; P2-W243 HydrophobicContact CG-CG 4.12Å; P2-W243 HydrophobicContact CG-CZ2 4.45Å; M5-W243 HydrophobicContact CE-CH2 4.45Å; I48-W243 HydrophobicContact CG1-CZ2 4.26Å; Q239-W243 HydrophobicContact CG-CD2 4.01Å; Q239-W243 HydrophobicContact CG-CE3 3.98Å; Q239-W243 HydrophobicContact CG-CH2 3.84Å; Q239-W243 HydrophobicContact CG-CZ2 3.81Å; Q239-W243 HydrophobicContact CG-CZ3 3.92Å; Q239-W243 PolarHBondContact O-N 3Å; D240-W243 PolarHBondContact O-N 3.26Å; W243-K247 VanDerWaalsContact O-CB 3.32Å; W243-K247 WeakPolarHBondContact O-CB 3.49Å; W243-K247 PolarHBondContact O-N 3.28Å
244L94.6Very high95Very high4 Ų439.1 Ų39.12%0.02119%0.188CC..Hα-helixtrans-69.6-38.1175.7-167.162.8000111.7Y3 D240 L241 I242 N248 E258 L259 Y262Y3-L244 HydrophobicContact CE1-CD1 4.34Å; D240-L244 WeakPolarHBondContact O-CB 3.38Å; D240-L244 PolarHBondContact O-N 3.48Å; L241-L244 PolarHBondContact O-N 2.89Å; I242-L244 VanDerWaalsContact C-N 3.26Å; I242-L244 PolarHBondContact O-N 3.06Å; L244-N248 PolarHBondContact O-N 2.98Å; L244-N248 PolarHBondContact O-ND2 2.9Å; L244-E258 HydrophobicContact CD1-CB 4.09Å; L244-E258 HydrophobicContact CD2-CB 4Å; L244-E258 HydrophobicContact CG-CB 4.15Å; L244-L259 HydrophobicContact CD2-CD2 3.98Å; L244-L259 HydrophobicContact CD2-CG 4.26Å; L244-Y262 HydrophobicContact CD2-CD2 4.15Å
245I96.6Very high95.2Very high1 Ų138.8 Ų38.81%0.00519%0.186CC..Hα-helixtrans-63-51.6172.5-70.7166.4000109.9L241 I242 K247 N248 Y249 L259 I277 I278 L281 F294 L298L241-I245 WeakPolarHBondContact O-CG1 3.46Å; L241-I245 PolarHBondContact O-N 3.25Å; I242-I245 WeakPolarHBondContact O-CB 3.44Å; I242-I245 PolarHBondContact O-N 3.36Å; I242-I245 VanDerWaalsContact O-N 3.13Å; I245-K247 PolarHBondContact O-N 3.19Å; I245-N248 CarbonylContact O-C 3.46Å; I245-N248 PolarHBondContact O-N 3.23Å; I245-Y249 PolarHBondContact O-N 3.41Å; I245-L259 HydrophobicContact CD1-CD1 4.48Å; I245-L259 HydrophobicContact CG1-CD1 3.97Å; I245-L259 HydrophobicContact CG1-CD2 4.19Å; I245-I277 HydrophobicContact CD1-CG2 3.94Å; I245-I278 HydrophobicContact CD1-CG1 4.13Å; I245-L281 HydrophobicContact CD1-CD1 3.89Å; I245-L281 HydrophobicContact CG2-CD1 4.25Å; I245-F294 HydrophobicContact CG2-CE1 3.68Å; I245-F294 HydrophobicContact CG2-CZ 3.9Å; I245-L298 HydrophobicContact CG1-CD2 4.42Å
246D93Very high95.3Very high35 Ų3538.3 Ų38.319%0.18719%0.185CC..Hα-helixtrans-62.3-31-179.5-76.6-33000112.8I242 N248 Y249 K290I242-D246 PolarHBondContact O-N 2.89Å; D246-N248 VanDerWaalsContact C-N 3.33Å; D246-Y249 VanDerWaalsContact O-CD1 3.26Å; D246-Y249 WeakPolarHBondContact O-CD1 3.5Å; D246-K290 WeakPolarHBondContact OD1-CE 3.22Å; D246-K290 IonicContact OD1-NZ 3.13Å
247K92.2Very high95.5Very high91 Ų9141.3 Ų41.340%0.39620%0.203SC..Hα-helixtrans-68.2-33.5173.8-179.4-175173.6-161.70112.7Y3 W243 I245Y3-K247 HydrophobicContact CE1-CD 4.02Å; Y3-K247 PolarHBondContact OH-NZ 3.49Å; W243-K247 VanDerWaalsContact O-CB 3.32Å; W243-K247 WeakPolarHBondContact O-CB 3.49Å; W243-K247 PolarHBondContact O-N 3.28Å; I245-K247 PolarHBondContact O-N 3.19Å
248N95.1Very high95.6Very high3 Ų344.8 Ų44.82%0.01622%0.219CC..Hα-helixtrans-116.213.7-168.4-60.7-69.1000113.3L244 I245 D246 T250 D251 K254 C255L244-N248 PolarHBondContact O-N 2.98Å; L244-N248 PolarHBondContact O-ND2 2.9Å; I245-N248 CarbonylContact O-C 3.46Å; I245-N248 PolarHBondContact O-N 3.23Å; D246-N248 VanDerWaalsContact C-N 3.33Å; N248-T250 PolarHBondContact O-N 2.93Å; N248-T250 VanDerWaalsContact O-N 3.08Å; N248-D251 CarbonylContact O-C 3.16Å; N248-D251 PolarHBondContact O-N 3.34Å; N248-D251 VanDerWaalsContact O-O 3.09Å; N248-K254 VanDerWaalsContact OD1-CE 3.27Å; N248-K254 WeakPolarHBondContact OD1-CE 3.41Å; N248-C255 HydrophobicContact CB-CB 3.62Å
249Y95.7Very high95.6Very high106 Ų10643.9 Ų43.942%0.41622%0.215SC..THydrogen-bonded Turntrans-63-21.2-171.881.8-83.3000114.6I245 D246 D251 K290 F294I245-Y249 PolarHBondContact O-N 3.41Å; D246-Y249 VanDerWaalsContact O-CD1 3.26Å; D246-Y249 WeakPolarHBondContact O-CD1 3.5Å; Y249-D251 VanDerWaalsContact C-N 3.3Å; Y249-K290 HydrophobicContact CD1-CD 4.25Å; Y249-K290 HydrophobicContact CD2-CD 3.77Å; Y249-K290 HydrophobicContact CD2-CG 4.21Å; Y249-K290 HydrophobicContact CE2-CD 4.14Å; Y249-K290 HydrophobicContact CG-CD 3.82Å; Y249-K290 HydrophobicContact CG-CG 4.2Å; Y249-F294 VanDerWaalsContact CA-CE2 3.42Å; Y249-F294 WeakPolarHBondContact O-CD2 3.48Å; Y249-F294 WeakPolarHBondContact O-CE2 3.41Å
250T96.8Very high95.6Very high112 Ų11244.4 Ų44.469%0.68722%0.22SC*.THydrogen-bonded Turntrans-78.2-13.9177.153.70000113.3N248N248-T250 PolarHBondContact O-N 2.93Å; N248-T250 VanDerWaalsContact O-N 3.08Å
251D97.6Very high95.6Very high72 Ų7250.2 Ų50.239%0.38525%0.251SS..  trans-135.190.8178.3-176-15.9000110N248 Y249 K253 K254 C255N248-D251 CarbonylContact O-C 3.16Å; N248-D251 PolarHBondContact O-N 3.34Å; N248-D251 VanDerWaalsContact O-O 3.09Å; Y249-D251 VanDerWaalsContact C-N 3.3Å; D251-K253 PolarHBondContact O-N 3.28Å; D251-K253 PolarHBondContact OD1-N 3.38Å; D251-K253 VanDerWaalsContact OD1-N 3.13Å; D251-K254 HydrophobicContact CB-CB 3.91Å; D251-K254 VanDerWaalsContact CG-CB 3.42Å; D251-K254 PolarHBondContact O-N 3.29Å; D251-K254 PolarHBondContact OD1-N 3.32Å; D251-K254 WeakPolarHBondContact OD2-CB 3.26Å; D251-C255 WeakPolarHBondContact O-CB 3.41Å; D251-C255 PolarHBondContact O-N 3.23Å
252P97.7Very high95.4Very high31 Ų3152 Ų5220%0.20126%0.259CS..Hα-helixtrans-56.6-32.5-179.2-24.732.4000113.7A256 F294 C297 L298 E301P252-A256 WeakPolarHBondContact O-CB 3.32Å; P252-A256 PolarHBondContact O-N 3.05Å; P252-F294 HydrophobicContact CB-CE2 4.43Å; P252-F294 HydrophobicContact CG-CD2 4.01Å; P252-F294 HydrophobicContact CG-CE2 4.23Å; P252-C297 HydrophobicContact CB-CB 3.99Å; P252-C297 HydrophobicContact CG-CB 3.86Å; P252-L298 WeakPolarHBondContact O-CD1 3.25Å; P252-E301 HydrophobicContact CB-CG 4.25Å
253K98Very high94.9Very high136 Ų13659 Ų5959%0.59128%0.284SS*.Hα-helixtrans-71.6-47.5-179.3178.8176.3178.7-178.90110.6D251 C255 A256 V257 E301D251-K253 PolarHBondContact O-N 3.28Å; D251-K253 PolarHBondContact OD1-N 3.38Å; D251-K253 VanDerWaalsContact OD1-N 3.13Å; K253-C255 VanDerWaalsContact C-N 3.3Å; K253-C255 PolarHBondContact O-N 2.95Å; K253-A256 PolarHBondContact O-N 3.21Å; K253-V257 WeakPolarHBondContact O-CG2 3.39Å; K253-V257 PolarHBondContact O-N 2.99Å; K253-E301 HydrophobicContact CB-CG 4.16Å
254K97.5Very high94.2Very high98 Ų9858.7 Ų58.743%0.42629%0.285SS..Hα-helixtrans-60.9-42.9173.7-178.1-176.9177.8-171.90111.1N248 D251 A256 V257 E258N248-K254 VanDerWaalsContact OD1-CE 3.27Å; N248-K254 WeakPolarHBondContact OD1-CE 3.41Å; D251-K254 HydrophobicContact CB-CB 3.91Å; D251-K254 VanDerWaalsContact CG-CB 3.42Å; D251-K254 PolarHBondContact O-N 3.29Å; D251-K254 PolarHBondContact OD1-N 3.32Å; D251-K254 WeakPolarHBondContact OD2-CB 3.26Å; K254-A256 PolarHBondContact O-N 3.43Å; K254-V257 PolarHBondContact O-N 3.32Å; K254-E258 HydrophobicContact CG-CG 4.38Å; K254-E258 WeakPolarHBondContact O-CG 3.38Å; K254-E258 PolarHBondContact O-N 3.27Å
255C97.9Very high93.2Very high0 Ų063.7 Ų63.70%030%0.304CS..Hα-helixtrans-57.3-48.7176.3-169.50000111.5N248 D251 K253 V257 E258 L259 L298N248-C255 HydrophobicContact CB-CB 3.62Å; D251-C255 WeakPolarHBondContact O-CB 3.41Å; D251-C255 PolarHBondContact O-N 3.23Å; K253-C255 VanDerWaalsContact C-N 3.3Å; K253-C255 PolarHBondContact O-N 2.95Å; C255-V257 VanDerWaalsContact C-N 3.35Å; C255-V257 PolarHBondContact O-N 3.35Å; C255-E258 PolarHBondContact O-N 3.2Å; C255-L259 WeakPolarHBondContact O-CB 3.34Å; C255-L259 WeakPolarHBondContact O-CG 3.42Å; C255-L259 PolarHBondContact O-N 2.87Å; C255-L298 HydrophobicContact CB-CD1 3.79Å
256A98.1Very high92.2Very high1 Ų166.7 Ų66.71%0.00834%0.335CS..Hα-helixtrans-60-4117700000113P252 K253 K254 S260 L298 E301 L302P252-A256 WeakPolarHBondContact O-CB 3.32Å; P252-A256 PolarHBondContact O-N 3.05Å; K253-A256 PolarHBondContact O-N 3.21Å; K254-A256 PolarHBondContact O-N 3.43Å; A256-S260 VanDerWaalsContact O-CB 3.26Å; A256-S260 WeakPolarHBondContact O-CB 3.18Å; A256-S260 PolarHBondContact O-N 2.82Å; A256-S260 PolarHBondContact O-OG 3.17Å; A256-L298 HydrophobicContact CB-CD1 4.07Å; A256-E301 HydrophobicContact CB-CB 3.65Å; A256-L302 HydrophobicContact CB-CD2 3.88Å; A256-L302 HydrophobicContact CB-CG 3.93Å
257V96.6Very high91.6Very high68 Ų6870.3 Ų70.341%0.41236%0.355SS..Hα-helixtrans-65.3-46.3177.3170.90000111.3K253 K254 C255 S260 N261K253-V257 WeakPolarHBondContact O-CG2 3.39Å; K253-V257 PolarHBondContact O-N 2.99Å; K254-V257 PolarHBondContact O-N 3.32Å; C255-V257 VanDerWaalsContact C-N 3.35Å; C255-V257 PolarHBondContact O-N 3.35Å; V257-S260 PolarHBondContact O-N 3.33Å; V257-N261 WeakPolarHBondContact CG1-ND2 3.34Å; V257-N261 WeakPolarHBondContact O-CB 3.23Å; V257-N261 VanDerWaalsContact O-CG 3.27Å; V257-N261 PolarHBondContact O-N 3.29Å; V257-N261 PolarHBondContact O-ND2 3.21Å
258E95Very high91.3Very high74 Ų7467.9 Ų67.935%0.34635%0.345SS..Hα-helixtrans-64.4-42.6179.1-70.2-84163.100111.5L244 K254 C255 N261 Y262L244-E258 HydrophobicContact CD1-CB 4.09Å; L244-E258 HydrophobicContact CD2-CB 4Å; L244-E258 HydrophobicContact CG-CB 4.15Å; K254-E258 HydrophobicContact CG-CG 4.38Å; K254-E258 WeakPolarHBondContact O-CG 3.38Å; K254-E258 PolarHBondContact O-N 3.27Å; C255-E258 PolarHBondContact O-N 3.2Å; E258-N261 CarbonylContact O-C 3.57Å; E258-N261 PolarHBondContact O-N 2.99Å; E258-Y262 PolarHBondContact O-N 3.31Å
259L95.8Very high91.1Very high2 Ų267.9 Ų67.91%0.0135%0.345CS..Hα-helixtrans-62.7-42.9174.2-73.2166.1000111.9L241 L244 I245 C255 N261 Y262 T274 L298 L302L241-L259 HydrophobicContact CB-CD2 4.41Å; L241-L259 HydrophobicContact CD2-CD2 3.84Å; L244-L259 HydrophobicContact CD2-CD2 3.98Å; L244-L259 HydrophobicContact CD2-CG 4.26Å; I245-L259 HydrophobicContact CD1-CD1 4.48Å; I245-L259 HydrophobicContact CG1-CD1 3.97Å; I245-L259 HydrophobicContact CG1-CD2 4.19Å; C255-L259 WeakPolarHBondContact O-CB 3.34Å; C255-L259 WeakPolarHBondContact O-CG 3.42Å; C255-L259 PolarHBondContact O-N 2.87Å; L259-N261 PolarHBondContact O-N 3.35Å; L259-Y262 VanDerWaalsContact O-CB 3.28Å; L259-Y262 WeakPolarHBondContact O-CB 3.16Å; L259-Y262 PolarHBondContact O-N 3.1Å; L259-T274 HydrophobicContact CB-CG2 4.48Å; L259-T274 HydrophobicContact CD1-CG2 4.15Å; L259-T274 HydrophobicContact CD2-CG2 4.29Å; L259-L298 HydrophobicContact CD1-CD1 4.18Å; L259-L298 HydrophobicContact CD1-CD2 4.22Å; L259-L302 HydrophobicContact CB-CD2 4.36Å
260S93.5Very high90.9Very high27 Ų2764.4 Ų64.419%0.18933%0.334CS..Hα-helixtrans-65.8-29178.8-61.30000112.8A256 V257A256-S260 VanDerWaalsContact O-CB 3.26Å; A256-S260 WeakPolarHBondContact O-CB 3.18Å; A256-S260 PolarHBondContact O-N 2.82Å; A256-S260 PolarHBondContact O-OG 3.17Å; V257-S260 PolarHBondContact O-N 3.33Å
261N92Very high90.7Very high126 Ų12659.7 Ų59.767%0.67431%0.306SS*.THydrogen-bonded Turntrans-95.14178.8-67.8-27.8000113V257 E258 L259 Y263V257-N261 WeakPolarHBondContact CG1-ND2 3.34Å; V257-N261 WeakPolarHBondContact O-CB 3.23Å; V257-N261 VanDerWaalsContact O-CG 3.27Å; V257-N261 PolarHBondContact O-N 3.29Å; V257-N261 PolarHBondContact O-ND2 3.21Å; E258-N261 CarbonylContact O-C 3.57Å; E258-N261 PolarHBondContact O-N 2.99Å; L259-N261 PolarHBondContact O-N 3.35Å; N261-Y263 PolarHBondContact O-N 3.05Å; N261-Y263 VanDerWaalsContact O-N 3.14Å
262Y91.3Very high90.6Very high40 Ų4056.8 Ų56.816%0.15729%0.289CS..  trans-63.3117.6179.8-176.5-90000109.8Y170 L237 D240 L241 L244 E258 L259 C264 L270Y170-Y262 PolarHBondContact OH-OH 3.15Å; L237-Y262 HydrophobicContact CD1-CE1 3.92Å; D240-Y262 HydrophobicContact CB-CE2 4.2Å; D240-Y262 PolarHBondContact OD2-OH 3.31Å; L241-Y262 HydrophobicContact CD2-CD1 3.89Å; L241-Y262 HydrophobicContact CD2-CD2 3.94Å; L241-Y262 HydrophobicContact CD2-CE1 4.3Å; L241-Y262 HydrophobicContact CD2-CE2 4.34Å; L241-Y262 HydrophobicContact CD2-CG 3.71Å; L244-Y262 HydrophobicContact CD2-CD2 4.15Å; E258-Y262 PolarHBondContact O-N 3.31Å; L259-Y262 VanDerWaalsContact O-CB 3.28Å; L259-Y262 WeakPolarHBondContact O-CB 3.16Å; L259-Y262 PolarHBondContact O-N 3.1Å; Y262-C264 HydrophobicContact CD1-CB 4.34Å; Y262-C264 HydrophobicContact CE1-CB 4.08Å; Y262-C264 PolarHBondContact O-N 2.93Å; Y262-L270 HydrophobicContact CD1-CD1 4.24Å; Y262-L270 HydrophobicContact CD1-CD2 4.34Å
263Y84.3Confident90.5Very high186 Ų18655.3 Ų55.373%0.72928%0.28SS*.  trans-83109.8176.9177.5-96.6000109.4N261 R265N261-Y263 PolarHBondContact O-N 3.05Å; N261-Y263 VanDerWaalsContact O-N 3.14Å; Y263-R265 HydrophobicContact CE1-CG 3.97Å
264C78.2Confident90.4Very high20 Ų2049.2 Ų49.214%0.13525%0.254CS..  trans-98.6140.6164.9-164.90000110.8Y262 M268Y262-C264 HydrophobicContact CD1-CB 4.34Å; Y262-C264 HydrophobicContact CE1-CB 4.08Å; Y262-C264 PolarHBondContact O-N 2.93Å; C264-M268 HydrophobicContact CB-CE 3.65Å; C264-M268 WeakPolarHBondContact SG-CE 3.32Å
265R74.4Confident90.4Very high108 Ų10844.6 Ų44.641%0.40823%0.234SC..SBendtrans-67.7136.4168.3-76.7179.8169.5-172.7-9.6110.1Y171 M172 Y263Y171-R265 PolarHBondContact O-NH1 3.49Å; M172-R265 PolarHBondContact SD-NH2 2.64Å; Y263-R265 HydrophobicContact CE1-CG 3.97Å
266G76.4Confident90.4Very high65 Ų6544.7 Ų44.767%0.6723%0.234SC*.SBendtrans84.9172.3-179.800000113.4
267N80Confident90.4Very high111 Ų11145.1 Ų45.159%0.59424%0.236SC*.SBendtrans-89.7113.5174.5-167.817.7000107.8G222 G224G222-N267 PolarHBondContact O-ND2 3.38Å; G224-N267 VanDerWaalsContact CA-O 3.22Å; G224-N267 WeakPolarHBondContact CA-O 3.36Å; G224-N267 PolarHBondContact N-ND2 2.8Å
268M86.1Confident90.5Very high40 Ų4041.9 Ų41.920%0.19722%0.217CC..  trans-138.6150-179.8-56.8-171-29.800110.7K223 P227 L237 C264 L270 I273K223-M268 CarbonylContact O-C 3.36Å; P227-M268 HydrophobicContact CG-SD 3.88Å; L237-M268 HydrophobicContact CD1-CE 3.88Å; L237-M268 HydrophobicContact CD2-CE 3.26Å; L237-M268 HydrophobicContact CD2-SD 4.19Å; L237-M268 HydrophobicContact CG-CE 4.19Å; C264-M268 HydrophobicContact CB-CE 3.65Å; C264-M268 WeakPolarHBondContact SG-CE 3.32Å; M268-L270 PolarHBondContact O-N 3.44Å; M268-I273 HydrophobicContact CE-CD1 4.17Å
269P90.6Very high90.7Very high3 Ų338.4 Ų38.42%0.01920%0.2CC..  trans-77.367.5178.732.9-36.4000111.3C219 L226 S271 Y272 I273C219-P269 HydrophobicContact CB-CB 4.3Å; C219-P269 HydrophobicContact CB-CG 4.36Å; L226-P269 HydrophobicContact CD2-CG 3.7Å; L226-P269 HydrophobicContact CG-CG 3.9Å; P269-S271 PolarHBondContact O-N 3.26Å; P269-S271 VanDerWaalsContact O-N 3.13Å; P269-Y272 HydrophobicContact CB-CD2 3.92Å; P269-Y272 HydrophobicContact CB-CG 4.39Å; P269-Y272 WeakPolarHBondContact O-CB 3.28Å; P269-Y272 PolarHBondContact O-N 2.9Å; P269-I273 PolarHBondContact O-N 2.83Å
270L91.3Very high90.8Very high32 Ų3238.9 Ų38.917%0.16821%0.206CC..Hα-helixtrans-56.8-33.5-172.4-175.364.5000113.6L237 L241 Y262 M268 Y272 I273 T274L237-L270 HydrophobicContact CD1-CD1 4.49Å; L241-L270 HydrophobicContact CD1-CD1 3.96Å; L241-L270 HydrophobicContact CD2-CD1 4.42Å; Y262-L270 HydrophobicContact CD1-CD1 4.24Å; Y262-L270 HydrophobicContact CD1-CD2 4.34Å; M268-L270 PolarHBondContact O-N 3.44Å; L270-Y272 VanDerWaalsContact C-N 3.34Å; L270-Y272 PolarHBondContact O-N 2.85Å; L270-I273 PolarHBondContact O-N 3.31Å; L270-T274 VanDerWaalsContact O-CB 3.23Å; L270-T274 WeakPolarHBondContact O-CB 3.36Å; L270-T274 PolarHBondContact O-N 2.99Å; L270-T274 PolarHBondContact O-OG1 2.91Å
271S93.2Very high91Very high14 Ų1438 Ų3810%0.09820%0.199CC..Hα-helixtrans-63.2-39176.156.50000112.3P269 L275P269-S271 PolarHBondContact O-N 3.26Å; P269-S271 VanDerWaalsContact O-N 3.13Å; S271-L275 WeakPolarHBondContact O-CB 3.44Å; S271-L275 WeakPolarHBondContact O-CD1 3.33Å; S271-L275 PolarHBondContact O-N 3.11Å
272Y95Very high91.3Very high11 Ų1132.2 Ų32.24%0.04317%0.168CC..Hα-helixtrans-67.6-47.9177.4-75.6-101.6000110.6F214 D218 P220 P269 L270 T274 L275 E276 V313 Q316F214-Y272 AromaticContact CD1-CD1 3.92Å; F214-Y272 HydrophobicContact CD1-CD1 3.92Å; F214-Y272 HydrophobicContact CD1-CE1 4.39Å; F214-Y272 HydrophobicContact CD2-CD1 4.02Å; F214-Y272 AromaticContact CE1-CD1 3.88Å; F214-Y272 HydrophobicContact CE1-CD1 3.88Å; F214-Y272 HydrophobicContact CE1-CE1 4.2Å; F214-Y272 HydrophobicContact CE2-CD1 4Å; F214-Y272 WeakPolarHBondContact CE2-O 3.44Å; F214-Y272 AromaticContact CG-CD1 3.99Å; F214-Y272 HydrophobicContact CG-CD1 3.99Å; F214-Y272 AromaticContact CZ-CD1 3.92Å; F214-Y272 HydrophobicContact CZ-CD1 3.92Å; D218-Y272 HydrophobicContact CB-CE1 4.39Å; D218-Y272 VanDerWaalsContact O-CE1 3.23Å; D218-Y272 WeakPolarHBondContact O-CE1 3.48Å; D218-Y272 PolarHBondContact O-OH 3.17Å; P220-Y272 VanDerWaalsContact CD-CE2 3.49Å; P220-Y272 WeakPolarHBondContact CD-OH 3.49Å; P220-Y272 HydrophobicContact CG-CE2 4.23Å; P269-Y272 HydrophobicContact CB-CD2 3.92Å; P269-Y272 HydrophobicContact CB-CG 4.39Å; P269-Y272 WeakPolarHBondContact O-CB 3.28Å; P269-Y272 PolarHBondContact O-N 2.9Å; L270-Y272 VanDerWaalsContact C-N 3.34Å; L270-Y272 PolarHBondContact O-N 2.85Å; Y272-T274 VanDerWaalsContact C-N 3.33Å; Y272-T274 PolarHBondContact O-N 3.24Å; Y272-L275 PolarHBondContact O-N 3.07Å; Y272-E276 VanDerWaalsContact O-CB 3.31Å; Y272-E276 WeakPolarHBondContact O-CB 3.27Å; Y272-E276 PolarHBondContact O-N 2.93Å; Y272-V313 HydrophobicContact CD1-CG1 3.77Å; Y272-V313 HydrophobicContact CD2-CG1 4.14Å; Y272-V313 HydrophobicContact CD2-CG2 4.01Å; Y272-V313 HydrophobicContact CE1-CG1 3.84Å; Y272-V313 HydrophobicContact CE1-CG2 4.36Å; Y272-V313 HydrophobicContact CE2-CG1 4.18Å; Y272-V313 HydrophobicContact CE2-CG2 3.5Å; Y272-V313 HydrophobicContact CG-CG1 3.92Å; Y272-Q316 PolarHBondContact OH-OE1 3.13Å
273I95Very high91.6Very high0 Ų030.3 Ų30.30%016%0.16CC..Hα-helixtrans-62.4-43.3179.9-59.6173.3000110.5L226 L237 E238 L241 M268 P269 L270 E276 I277L226-I273 HydrophobicContact CD2-CD1 3.95Å; L226-I273 HydrophobicContact CD2-CG1 3.5Å; L226-I273 VanDerWaalsContact CD2-CG1 3.5Å; L237-I273 HydrophobicContact CD2-CD1 3.48Å; L237-I273 VanDerWaalsContact CD2-CD1 3.48Å; L237-I273 HydrophobicContact CD2-CG2 3.92Å; L237-I273 HydrophobicContact CG-CG2 4.34Å; E238-I273 HydrophobicContact CG-CG2 4.48Å; L241-I273 HydrophobicContact CD1-CG2 4.09Å; M268-I273 HydrophobicContact CE-CD1 4.17Å; P269-I273 PolarHBondContact O-N 2.83Å; L270-I273 PolarHBondContact O-N 3.31Å; I273-E276 PolarHBondContact O-N 2.84Å; I273-I277 HydrophobicContact CG2-CD1 4Å; I273-I277 VanDerWaalsContact O-CG1 3.24Å; I273-I277 WeakPolarHBondContact O-CG1 3.43Å; I273-I277 PolarHBondContact O-N 3.18Å
274T96.5Very high92.1Very high7 Ų724.4 Ų24.44%0.04314%0.137CC..Hα-helixtrans-63.3-45179-61.90000111.4L259 L270 Y272 I277 I278 L302L259-T274 HydrophobicContact CB-CG2 4.48Å; L259-T274 HydrophobicContact CD1-CG2 4.15Å; L259-T274 HydrophobicContact CD2-CG2 4.29Å; L270-T274 VanDerWaalsContact O-CB 3.23Å; L270-T274 WeakPolarHBondContact O-CB 3.36Å; L270-T274 PolarHBondContact O-N 2.99Å; L270-T274 PolarHBondContact O-OG1 2.91Å; Y272-T274 VanDerWaalsContact C-N 3.33Å; Y272-T274 PolarHBondContact O-N 3.24Å; T274-I277 PolarHBondContact O-N 3.09Å; T274-I278 HydrophobicContact CG2-CD1 3.9Å; T274-I278 VanDerWaalsContact O-CG1 3.27Å; T274-I278 WeakPolarHBondContact O-CG1 3.08Å; T274-I278 PolarHBondContact O-N 2.96Å; T274-L302 HydrophobicContact CG2-CD1 4.18Å
275L97.6Very high92.9Very high1 Ų123.6 Ų23.61%0.00513%0.131CC..Hα-helixtrans-67.5-40.1177.8-93.659.2000111.9S271 Y272 I277 I278 F279 L299 L302 V310 V313 V314S271-L275 WeakPolarHBondContact O-CB 3.44Å; S271-L275 WeakPolarHBondContact O-CD1 3.33Å; S271-L275 PolarHBondContact O-N 3.11Å; Y272-L275 PolarHBondContact O-N 3.07Å; L275-I277 VanDerWaalsContact C-N 3.3Å; L275-I277 PolarHBondContact O-N 2.99Å; L275-I278 PolarHBondContact O-N 2.93Å; L275-F279 HydrophobicContact CB-CD2 4.49Å; L275-F279 HydrophobicContact CB-CE2 4.44Å; L275-F279 WeakPolarHBondContact O-CD2 3.35Å; L275-F279 PolarHBondContact O-N 2.94Å; L275-L299 HydrophobicContact CD1-CD2 4.21Å; L275-L299 HydrophobicContact CG-CD2 3.92Å; L275-L302 HydrophobicContact CD1-CD1 4.33Å; L275-V310 HydrophobicContact CD1-CG1 4.23Å; L275-V310 HydrophobicContact CD2-CG1 4.48Å; L275-V313 HydrophobicContact CB-CG1 4.5Å; L275-V313 HydrophobicContact CD2-CB 3.73Å; L275-V313 HydrophobicContact CD2-CG1 3.54Å; L275-V314 HydrophobicContact CD2-CB 4.42Å; L275-V314 HydrophobicContact CD2-CG2 3.61Å; L275-V314 HydrophobicContact CG-CG2 4.47Å
276E97.7Very high93.6Very high2 Ų219.7 Ų19.71%0.00912%0.12CC..Hα-helixtrans-59.2-42174.5-175.6165.1-132.500111.6F211 R212 M213 F214 R234 Y272 I273 G280F211-E276 HydrophobicContact CD1-CG 3.86Å; F211-E276 VanDerWaalsContact CD1-O 3.24Å; F211-E276 WeakPolarHBondContact CD1-O 3.35Å; F211-E276 HydrophobicContact CE1-CG 4.02Å; F211-E276 WeakPolarHBondContact CE1-O 3.38Å; R212-E276 WeakPolarHBondContact CA-OE1 3.41Å; M213-E276 HydrophobicContact CG-CG 4.08Å; M213-E276 PolarHBondContact N-OE1 3.34Å; F214-E276 HydrophobicContact CD2-CB 3.84Å; F214-E276 HydrophobicContact CD2-CG 4.39Å; F214-E276 HydrophobicContact CE2-CB 4.04Å; F214-E276 PolarHBondContact N-OE1 3.47Å; F214-E276 VanDerWaalsContact N-OE1 3.08Å; R234-E276 IonicContact CZ-OE2 3.16Å; R234-E276 IonicContact NH2-OE2 3.52Å; R234-E276 PolarHBondContact NH2-OE2 3.4Å; Y272-E276 VanDerWaalsContact O-CB 3.31Å; Y272-E276 WeakPolarHBondContact O-CB 3.27Å; Y272-E276 PolarHBondContact O-N 2.93Å; I273-E276 PolarHBondContact O-N 2.84Å; E276-G280 PolarHBondContact O-N 2.87Å
277I98Very high94.3Very high11 Ų1122.1 Ų22.16%0.05611%0.112CC..Hα-helixtrans-63.8-46.5173.8-68.5166.3000110.9E238 L241 I242 I245 I273 T274 L275 F279 G280 L281E238-I277 HydrophobicContact CB-CD1 4.11Å; E238-I277 HydrophobicContact CB-CG1 4.45Å; E238-I277 HydrophobicContact CG-CD1 3.95Å; E238-I277 HydrophobicContact CG-CG1 4.13Å; L241-I277 HydrophobicContact CB-CD1 3.65Å; L241-I277 HydrophobicContact CD1-CD1 3.6Å; L241-I277 HydrophobicContact CG-CD1 4.25Å; I242-I277 HydrophobicContact CD1-CG2 4.44Å; I242-I277 HydrophobicContact CG1-CG2 3.64Å; I245-I277 HydrophobicContact CD1-CG2 3.94Å; I273-I277 HydrophobicContact CG2-CD1 4Å; I273-I277 VanDerWaalsContact O-CG1 3.24Å; I273-I277 WeakPolarHBondContact O-CG1 3.43Å; I273-I277 PolarHBondContact O-N 3.18Å; T274-I277 PolarHBondContact O-N 3.09Å; L275-I277 VanDerWaalsContact C-N 3.3Å; L275-I277 PolarHBondContact O-N 2.99Å; I277-F279 PolarHBondContact O-N 3.36Å; I277-G280 PolarHBondContact O-N 2.91Å; I277-L281 HydrophobicContact CG2-CD1 3.8Å; I277-L281 HydrophobicContact CG2-CG 4.2Å; I277-L281 WeakPolarHBondContact O-CB 3.41Å; I277-L281 VanDerWaalsContact O-CG 3.24Å; I277-L281 WeakPolarHBondContact O-CG 3.33Å; I277-L281 PolarHBondContact O-N 3.47Å
278I98.6Very high95Very high0 Ų017.9 Ų17.90%09%0.09CC..Hα-helixtrans-62.2-45.2-178.4-69.1165.5000110.9I245 T274 L275 L281 M282 Y295 L298 L299 L302I245-I278 HydrophobicContact CD1-CG1 4.13Å; T274-I278 HydrophobicContact CG2-CD1 3.9Å; T274-I278 VanDerWaalsContact O-CG1 3.27Å; T274-I278 WeakPolarHBondContact O-CG1 3.08Å; T274-I278 PolarHBondContact O-N 2.96Å; L275-I278 PolarHBondContact O-N 2.93Å; I278-L281 PolarHBondContact O-N 2.85Å; I278-M282 WeakPolarHBondContact O-CB 3.42Å; I278-M282 PolarHBondContact O-N 2.85Å; I278-Y295 HydrophobicContact CG2-CD1 4.2Å; I278-L298 HydrophobicContact CD1-CD2 3.66Å; I278-L298 HydrophobicContact CD1-CG 3.99Å; I278-L298 HydrophobicContact CG1-CD2 3.89Å; I278-L299 HydrophobicContact CB-CD2 4.48Å; I278-L299 HydrophobicContact CD1-CD2 4.16Å; I278-L299 HydrophobicContact CG2-CD1 4.09Å; I278-L299 HydrophobicContact CG2-CD2 4Å; I278-L299 HydrophobicContact CG2-CG 3.87Å; I278-L302 HydrophobicContact CD1-CD1 3.36Å
279F98.6Very high95.3Very high0 Ų018 Ų180%09%0.094CC..Hα-helixtrans-64.8-41.9173.8-74.3-57.1000111.8F211 M213 L275 I277 L281 M282 F283 L299 A317 L321 W339F211-F279 HydrophobicContact CE1-CB 3.88Å; F211-F279 HydrophobicContact CZ-CB 3.93Å; M213-F279 HydrophobicContact SD-CD2 4.15Å; L275-F279 HydrophobicContact CB-CD2 4.49Å; L275-F279 HydrophobicContact CB-CE2 4.44Å; L275-F279 WeakPolarHBondContact O-CD2 3.35Å; L275-F279 PolarHBondContact O-N 2.94Å; I277-F279 PolarHBondContact O-N 3.36Å; F279-L281 VanDerWaalsContact C-N 3.31Å; F279-L281 PolarHBondContact O-N 3.16Å; F279-M282 HydrophobicContact CD1-CE 4.44Å; F279-M282 PolarHBondContact O-N 3.14Å; F279-F283 HydrophobicContact CB-CD2 4.01Å; F279-F283 HydrophobicContact CB-CE2 3.89Å; F279-F283 AromaticContact CD1-CE2 3.65Å; F279-F283 HydrophobicContact CD1-CE2 3.65Å; F279-F283 HydrophobicContact CD1-CZ 4.07Å; F279-F283 HydrophobicContact CG-CE2 4.11Å; F279-F283 WeakPolarHBondContact O-CB 3.36Å; F279-F283 WeakPolarHBondContact O-CD2 3.41Å; F279-F283 WeakPolarHBondContact O-CG 3.31Å; F279-F283 PolarHBondContact O-N 3.34Å; F279-L299 HydrophobicContact CE1-CD1 3.97Å; F279-L299 HydrophobicContact CZ-CD1 4Å; F279-A317 HydrophobicContact CD2-CB 4.19Å; F279-A317 HydrophobicContact CE2-CB 3.52Å; F279-A317 HydrophobicContact CZ-CB 4.23Å; F279-L321 HydrophobicContact CD1-CD1 4.17Å; F279-L321 HydrophobicContact CE1-CD1 4.1Å; F279-L321 HydrophobicContact CZ-CD1 4.44Å; F279-W339 HydrophobicContact CE1-CD2 4.04Å; F279-W339 AromaticContact CE1-CE2 3.89Å; F279-W339 AromaticContact CE1-CE3 3.8Å; F279-W339 HydrophobicContact CE1-CE3 3.8Å; F279-W339 AromaticContact CE1-CH2 3.41Å; F279-W339 HydrophobicContact CE1-CH2 3.41Å; F279-W339 VanDerWaalsContact CE1-CH2 3.41Å; F279-W339 AromaticContact CE1-CZ2 3.61Å; F279-W339 HydrophobicContact CE1-CZ2 3.61Å; F279-W339 AromaticContact CE1-CZ3 3.49Å; F279-W339 HydrophobicContact CE1-CZ3 3.49Å; F279-W339 VanDerWaalsContact CE1-CZ3 3.49Å; F279-W339 AromaticContact CZ-CH2 3.38Å; F279-W339 HydrophobicContact CZ-CH2 3.38Å; F279-W339 AromaticContact CZ-CZ2 3.6Å; F279-W339 HydrophobicContact CZ-CZ2 3.6Å; F279-W339 AromaticContact CZ-CZ3 3.92Å; F279-W339 HydrophobicContact CZ-CZ3 3.92Å
280G97.8Very high95.5Very high12 Ų1220 Ų2012%0.12410%0.103CC..Hα-helixtrans-60.3-38.817600000113.3F211 E276 I277 R284F211-G280 VanDerWaalsContact CB-CA 3.46Å; F211-G280 VanDerWaalsContact CD1-CA 3.48Å; E276-G280 PolarHBondContact O-N 2.87Å; I277-G280 PolarHBondContact O-N 2.91Å; G280-R284 WeakPolarHBondContact O-CA 3.49Å; G280-R284 WeakPolarHBondContact O-CB 3.45Å; G280-R284 PolarHBondContact O-N 3.43Å
281L97.6Very high95.6Very high10 Ų1024.5 Ų24.55%0.05213%0.126CC..Hα-helixtrans-69.8-41.8174.5-68.3171.1000111.7I242 I245 I277 I278 F279 R284 P288 P289 Y295I242-L281 HydrophobicContact CG1-CD1 4.46Å; I245-L281 HydrophobicContact CD1-CD1 3.89Å; I245-L281 HydrophobicContact CG2-CD1 4.25Å; I277-L281 HydrophobicContact CG2-CD1 3.8Å; I277-L281 HydrophobicContact CG2-CG 4.2Å; I277-L281 WeakPolarHBondContact O-CB 3.41Å; I277-L281 VanDerWaalsContact O-CG 3.24Å; I277-L281 WeakPolarHBondContact O-CG 3.33Å; I277-L281 PolarHBondContact O-N 3.47Å; I278-L281 PolarHBondContact O-N 2.85Å; F279-L281 VanDerWaalsContact C-N 3.31Å; F279-L281 PolarHBondContact O-N 3.16Å; L281-R284 WeakPolarHBondContact O-CB 3.38Å; L281-R284 PolarHBondContact O-N 3.48Å; L281-P288 WeakPolarHBondContact O-CB 3.47Å; L281-P289 HydrophobicContact CD2-CG 3.98Å; L281-P289 WeakPolarHBondContact O-CD 3.26Å; L281-Y295 HydrophobicContact CB-CD1 4.31Å; L281-Y295 HydrophobicContact CB-CE1 3.55Å; L281-Y295 HydrophobicContact CD1-CE1 4.05Å; L281-Y295 HydrophobicContact CG-CE1 4.44Å
282M98.2Very high95.7Very high3 Ų327.3 Ų27.32%0.01514%0.137CC..Hα-helixtrans-65.7-39.7177.1-171.2-166.6-62.100112.1I278 F279 R284 P288 Y295 L299 R335 W339I278-M282 WeakPolarHBondContact O-CB 3.42Å; I278-M282 PolarHBondContact O-N 2.85Å; F279-M282 HydrophobicContact CD1-CE 4.44Å; F279-M282 PolarHBondContact O-N 3.14Å; M282-R284 VanDerWaalsContact C-N 3.35Å; M282-P288 VanDerWaalsContact O-CG 3.31Å; M282-P288 WeakPolarHBondContact O-CG 3.48Å; M282-Y295 HydrophobicContact CB-CD2 4.03Å; M282-Y295 HydrophobicContact CB-CG 4.14Å; M282-Y295 VanDerWaalsContact CE-CB 3.46Å; M282-Y295 HydrophobicContact CG-CD2 4.24Å; M282-L299 HydrophobicContact CE-CD1 4.08Å; M282-R335 WeakPolarHBondContact O-CD 3.32Å; M282-R335 PolarHBondContact O-NH1 3.18Å; M282-R335 VanDerWaalsContact O-NH1 3.13Å; M282-W339 HydrophobicContact CE-CB 4.1Å; M282-W339 HydrophobicContact CE-CD2 4.19Å; M282-W339 HydrophobicContact CE-CG 3.66Å; M282-W339 HydrophobicContact SD-CB 3.63Å; M282-W339 HydrophobicContact SD-CD2 4.28Å; M282-W339 HydrophobicContact SD-CG 3.75Å
283F98.1Very high95.7Very high0 Ų031.3 Ų31.30%016%0.159CC..SBendtrans-90.62.5179.8-58.9-45.3000113.4V138 F211 F279 L285 L321 C332 R335 F336V138-F283 HydrophobicContact CG1-CB 4.25Å; V138-F283 HydrophobicContact CG2-CB 3.9Å; F211-F283 AromaticContact CE2-CD2 3.9Å; F211-F283 HydrophobicContact CE2-CD2 3.9Å; F211-F283 HydrophobicContact CZ-CD2 4.12Å; F279-F283 HydrophobicContact CB-CD2 4.01Å; F279-F283 HydrophobicContact CB-CE2 3.89Å; F279-F283 AromaticContact CD1-CE2 3.65Å; F279-F283 HydrophobicContact CD1-CE2 3.65Å; F279-F283 HydrophobicContact CD1-CZ 4.07Å; F279-F283 HydrophobicContact CG-CE2 4.11Å; F279-F283 WeakPolarHBondContact O-CB 3.36Å; F279-F283 WeakPolarHBondContact O-CD2 3.41Å; F279-F283 WeakPolarHBondContact O-CG 3.31Å; F279-F283 PolarHBondContact O-N 3.34Å; F283-L285 PolarHBondContact O-N 3.29Å; F283-L321 HydrophobicContact CD2-CD2 4.45Å; F283-L321 HydrophobicContact CE2-CD1 3.82Å; F283-L321 HydrophobicContact CE2-CD2 3.74Å; F283-L321 HydrophobicContact CE2-CG 4.46Å; F283-L321 HydrophobicContact CZ-CD1 4Å; F283-L321 HydrophobicContact CZ-CD2 4.45Å; F283-C332 HydrophobicContact CB-CB 4.31Å; F283-C332 HydrophobicContact CD1-CB 4.01Å; F283-C332 HydrophobicContact CG-CB 4.35Å; F283-C332 PolarHBondContact O-SG 3.18Å; F283-C332 VanDerWaalsContact O-SG 3.33Å; F283-R335 HydrophobicContact CD1-CB 4.09Å; F283-R335 HydrophobicContact CE1-CB 4.05Å; F283-F336 HydrophobicContact CE1-CB 3.98Å; F283-F336 HydrophobicContact CZ-CB 4.08Å; F283-F336 HydrophobicContact CZ-CG 4.49Å
284R95.6Very high95.9Very high62 Ų6231.8 Ų31.823%0.23416%0.161CC..  trans-58.9128179.3-176.5163.3165.2-170.6-10.1111.3M208 G280 L281 M282 K287 R335M208-R284 PolarHBondContact SD-NH1 2.84Å; M208-R284 VanDerWaalsContact SD-NH1 3.43Å; M208-R284 PolarHBondContact SD-NH2 3.18Å; G280-R284 WeakPolarHBondContact O-CA 3.49Å; G280-R284 WeakPolarHBondContact O-CB 3.45Å; G280-R284 PolarHBondContact O-N 3.43Å; L281-R284 WeakPolarHBondContact O-CB 3.38Å; L281-R284 PolarHBondContact O-N 3.48Å; M282-R284 VanDerWaalsContact C-N 3.35Å; R284-K287 CarbonylContact O-C 3.53Å; R284-K287 VanDerWaalsContact O-C 3.22Å; R284-R335 PolarHBondContact O-NH1 3.28Å
285L93.7Very high96Very high3 Ų331.5 Ų31.52%0.01616%0.159CC..SBendtrans-98.9146.1174.5-63.6172.7000110.1I136 F283 N329 A331I136-L285 HydrophobicContact CB-CB 4.11Å; I136-L285 HydrophobicContact CG2-CB 4.35Å; F283-L285 PolarHBondContact O-N 3.29Å; L285-N329 HydrophobicContact CD1-CB 4.02Å; L285-N329 WeakPolarHBondContact CD1-ND2 3.24Å; L285-A331 HydrophobicContact CD2-CB 3.85Å
286P90.5Very high96Very high27 Ų2731.6 Ų31.618%0.17516%0.16CC..SBendcis-72.8-35.72.4-21.534.4000115R335 T656 F692P286-R335 PolarHBondContact O-NH2 3.22Å; P286-T656 VanDerWaalsContact CB-O 3.25Å; P286-T656 WeakPolarHBondContact CB-O 3.23Å; P286-F692 HydrophobicContact CG-CE1 4.13Å; P286-F692 HydrophobicContact CG-CZ 3.65Å
287K91.1Very high96Very high116 Ų11633.2 Ų33.250%0.50417%0.171SC..SBendtrans-132.7150.5-178.4-64.6179.6-175.6170.80110.3R284 T657R284-K287 CarbonylContact O-C 3.53Å; R284-K287 VanDerWaalsContact O-C 3.22Å; K287-T657 WeakPolarHBondContact CE-O 3.41Å; K287-T657 PolarHBondContact NZ-O 3.45Å
288P93.8Very high96.1Very high21 Ų2132.7 Ų32.714%0.13617%0.169CC..  trans-64.1145.8173.1-19.535.3000110.3L281 M282 K290 E292 Y295L281-P288 WeakPolarHBondContact O-CB 3.47Å; M282-P288 VanDerWaalsContact O-CG 3.31Å; M282-P288 WeakPolarHBondContact O-CG 3.48Å; P288-K290 WeakPolarHBondContact CB-O 3.32Å; P288-K290 PolarHBondContact O-N 3.15Å; P288-E292 HydrophobicContact CG-CG 3.8Å; P288-Y295 HydrophobicContact CB-CE2 3.82Å
289P92.1Very high96.1Very high43 Ų4332.7 Ų32.728%0.27917%0.169SC..SBendtrans-62.7-27.3-178.4-27.336.7000114.5L281 Y295L281-P289 HydrophobicContact CD2-CG 3.98Å; L281-P289 WeakPolarHBondContact O-CD 3.26Å; P289-Y295 WeakPolarHBondContact CD-OH 3.3Å
290K94.4Very high96Very high46 Ų4633.2 Ų33.220%0.217%0.171CC..SBendtrans-126.1167.6175.3-50.7-61171-153.60109.3D246 Y249 P288 E292 F294 Y295D246-K290 WeakPolarHBondContact OD1-CE 3.22Å; D246-K290 IonicContact OD1-NZ 3.13Å; Y249-K290 HydrophobicContact CD1-CD 4.25Å; Y249-K290 HydrophobicContact CD2-CD 3.77Å; Y249-K290 HydrophobicContact CD2-CG 4.21Å; Y249-K290 HydrophobicContact CE2-CD 4.14Å; Y249-K290 HydrophobicContact CG-CD 3.82Å; Y249-K290 HydrophobicContact CG-CG 4.2Å; P288-K290 WeakPolarHBondContact CB-O 3.32Å; P288-K290 PolarHBondContact O-N 3.15Å; K290-E292 PolarHBondContact O-N 2.91Å; K290-F294 HydrophobicContact CB-CD1 4.1Å; K290-Y295 HydrophobicContact CB-CE2 4.32Å; K290-Y295 PolarHBondContact N-OH 3.26Å; K290-Y295 VanDerWaalsContact N-OH 3.11Å; K290-Y295 WeakPolarHBondContact O-CE2 3.5Å
291I95.1Very high96.1Very high126 Ų12634.5 Ų34.565%0.64617%0.174SC*.  trans-56.1136.8177.4-169.5169.8000111.7L293 F294I291-L293 PolarHBondContact O-N 2.97Å; I291-L293 VanDerWaalsContact O-N 3.16Å; I291-F294 HydrophobicContact CG2-CB 3.99Å; I291-F294 VanDerWaalsContact O-CB 3.26Å; I291-F294 WeakPolarHBondContact O-CB 3.44Å; I291-F294 PolarHBondContact O-N 3.41Å
292E94.4Very high96.1Very high72 Ų7234.2 Ų34.234%0.33617%0.172SC..Hα-helixtrans-54.1-39.6-175.1-70.2173.6-171.900113.4P288 K290 F294 Y295 G296 R335P288-E292 HydrophobicContact CG-CG 3.8Å; K290-E292 PolarHBondContact O-N 2.91Å; E292-F294 PolarHBondContact O-N 3.23Å; E292-Y295 PolarHBondContact O-N 3.18Å; E292-Y295 VanDerWaalsContact O-N 3.14Å; E292-G296 PolarHBondContact O-N 3.43Å; E292-R335 WeakPolarHBondContact OE1-CD 3.42Å; E292-R335 WeakPolarHBondContact OE1-CG 3.38Å; E292-R335 IonicContact OE1-NE 2.66Å; E292-R335 PolarHBondContact OE1-NE 3.18Å; E292-R335 VanDerWaalsContact OE1-NE 3.15Å
293L96.1Very high96.1Very high95 Ų9534.5 Ų34.550%0.49717%0.174SC..Hα-helixtrans-57.1-32.5178.9-177.262.2000112.8I291 Y295 G296 C297 F342I291-L293 PolarHBondContact O-N 2.97Å; I291-L293 VanDerWaalsContact O-N 3.16Å; L293-Y295 VanDerWaalsContact C-N 3.34Å; L293-Y295 PolarHBondContact O-N 3.02Å; L293-G296 PolarHBondContact O-N 3.28Å; L293-C297 PolarHBondContact O-N 3.02Å; L293-C297 PolarHBondContact O-SG 3.1Å; L293-C297 VanDerWaalsContact O-SG 3.39Å; L293-F342 HydrophobicContact CD1-CD1 4.43Å; L293-F342 HydrophobicContact CD1-CD2 4.21Å; L293-F342 HydrophobicContact CD1-CE1 4.04Å; L293-F342 HydrophobicContact CD1-CE2 3.8Å; L293-F342 HydrophobicContact CD1-CG 4.5Å; L293-F342 HydrophobicContact CD1-CZ 3.71Å
294F98Very high96Very high11 Ų1140.3 Ų40.35%0.04820%0.2CC..Hα-helixtrans-58.3-47178.2160.8-105.4000111.3I245 Y249 P252 K290 I291 E292 G296 C297 L298I245-F294 HydrophobicContact CG2-CE1 3.68Å; I245-F294 HydrophobicContact CG2-CZ 3.9Å; Y249-F294 VanDerWaalsContact CA-CE2 3.42Å; Y249-F294 WeakPolarHBondContact O-CD2 3.48Å; Y249-F294 WeakPolarHBondContact O-CE2 3.41Å; P252-F294 HydrophobicContact CB-CE2 4.43Å; P252-F294 HydrophobicContact CG-CD2 4.01Å; P252-F294 HydrophobicContact CG-CE2 4.23Å; K290-F294 HydrophobicContact CB-CD1 4.1Å; I291-F294 HydrophobicContact CG2-CB 3.99Å; I291-F294 VanDerWaalsContact O-CB 3.26Å; I291-F294 WeakPolarHBondContact O-CB 3.44Å; I291-F294 PolarHBondContact O-N 3.41Å; E292-F294 PolarHBondContact O-N 3.23Å; F294-G296 VanDerWaalsContact C-N 3.33Å; F294-G296 PolarHBondContact O-N 3.27Å; F294-C297 PolarHBondContact O-N 2.91Å; F294-L298 HydrophobicContact CE1-CD2 4.17Å; F294-L298 HydrophobicContact CE2-CB 4.42Å; F294-L298 HydrophobicContact CZ-CB 4.39Å; F294-L298 HydrophobicContact CZ-CD2 3.84Å; F294-L298 WeakPolarHBondContact O-CB 3.49Å; F294-L298 PolarHBondContact O-N 2.92Å
295Y98.6Very high96Very high1 Ų139.8 Ų39.80%0.00421%0.209CC..Hα-helixtrans-65.7-37.8-178.3-56.6-69.4000111.6I278 L281 M282 P288 P289 K290 E292 L293 L298 L299I278-Y295 HydrophobicContact CG2-CD1 4.2Å; L281-Y295 HydrophobicContact CB-CD1 4.31Å; L281-Y295 HydrophobicContact CB-CE1 3.55Å; L281-Y295 HydrophobicContact CD1-CE1 4.05Å; L281-Y295 HydrophobicContact CG-CE1 4.44Å; M282-Y295 HydrophobicContact CB-CD2 4.03Å; M282-Y295 HydrophobicContact CB-CG 4.14Å; M282-Y295 VanDerWaalsContact CE-CB 3.46Å; M282-Y295 HydrophobicContact CG-CD2 4.24Å; P288-Y295 HydrophobicContact CB-CE2 3.82Å; P289-Y295 WeakPolarHBondContact CD-OH 3.3Å; K290-Y295 HydrophobicContact CB-CE2 4.32Å; K290-Y295 PolarHBondContact N-OH 3.26Å; K290-Y295 VanDerWaalsContact N-OH 3.11Å; K290-Y295 WeakPolarHBondContact O-CE2 3.5Å; E292-Y295 PolarHBondContact O-N 3.18Å; E292-Y295 VanDerWaalsContact O-N 3.14Å; L293-Y295 VanDerWaalsContact C-N 3.34Å; L293-Y295 PolarHBondContact O-N 3.02Å; Y295-L298 PolarHBondContact O-N 3.12Å; Y295-L299 WeakPolarHBondContact O-CG 3.47Å; Y295-L299 PolarHBondContact O-N 3.49Å
296G97.8Very high96.1Very high2 Ų242.6 Ų42.62%0.02122%0.222CC..Hα-helixtrans-61-46.517300000112.6E292 L293 F294 L299 I300E292-G296 PolarHBondContact O-N 3.43Å; L293-G296 PolarHBondContact O-N 3.28Å; F294-G296 VanDerWaalsContact C-N 3.33Å; F294-G296 PolarHBondContact O-N 3.27Å; G296-L299 PolarHBondContact O-N 3.39Å; G296-I300 WeakPolarHBondContact O-CG1 3.5Å; G296-I300 PolarHBondContact O-N 2.98Å
297C98.4Very high96.3Very high37 Ų3745.1 Ų45.125%0.2524%0.237CC..Hα-helixtrans-62.9-41.4174.9-69.70000112.3P252 L293 F294 L299 I300 E301P252-C297 HydrophobicContact CB-CB 3.99Å; P252-C297 HydrophobicContact CG-CB 3.86Å; L293-C297 PolarHBondContact O-N 3.02Å; L293-C297 PolarHBondContact O-SG 3.1Å; L293-C297 VanDerWaalsContact O-SG 3.39Å; F294-C297 PolarHBondContact O-N 2.91Å; C297-L299 PolarHBondContact O-N 3.36Å; C297-I300 PolarHBondContact O-N 2.96Å; C297-E301 WeakPolarHBondContact O-CG 3.45Å; C297-E301 PolarHBondContact O-N 3.47Å
298L98.7Very high96.4Very high0 Ų049 Ų490%025%0.25CC..Hα-helixtrans-61.3-44.2178.7179.259.3000111.6I245 P252 C255 A256 L259 I278 F294 Y295 I300 E301 L302I245-L298 HydrophobicContact CG1-CD2 4.42Å; P252-L298 WeakPolarHBondContact O-CD1 3.25Å; C255-L298 HydrophobicContact CB-CD1 3.79Å; A256-L298 HydrophobicContact CB-CD1 4.07Å; L259-L298 HydrophobicContact CD1-CD1 4.18Å; L259-L298 HydrophobicContact CD1-CD2 4.22Å; I278-L298 HydrophobicContact CD1-CD2 3.66Å; I278-L298 HydrophobicContact CD1-CG 3.99Å; I278-L298 HydrophobicContact CG1-CD2 3.89Å; F294-L298 HydrophobicContact CE1-CD2 4.17Å; F294-L298 HydrophobicContact CE2-CB 4.42Å; F294-L298 HydrophobicContact CZ-CB 4.39Å; F294-L298 HydrophobicContact CZ-CD2 3.84Å; F294-L298 WeakPolarHBondContact O-CB 3.49Å; F294-L298 PolarHBondContact O-N 2.92Å; Y295-L298 PolarHBondContact O-N 3.12Å; L298-I300 VanDerWaalsContact C-N 3.32Å; L298-I300 PolarHBondContact O-N 2.93Å; L298-E301 PolarHBondContact O-N 3.42Å; L298-L302 HydrophobicContact CD1-CD1 4.41Å; L298-L302 HydrophobicContact CD1-CG 4.39Å; L298-L302 HydrophobicContact CG-CD1 4.15Å; L298-L302 WeakPolarHBondContact O-CG 3.49Å; L298-L302 PolarHBondContact O-N 3.15Å
299L98.5Very high96.4Very high0 Ų049.7 Ų49.70%025%0.254CS..Hα-helixtrans-62.2-39.1176.3-72.8168.7000112L275 I278 F279 M282 Y295 G296 C297 L302 C303 V314 W339L275-L299 HydrophobicContact CD1-CD2 4.21Å; L275-L299 HydrophobicContact CG-CD2 3.92Å; I278-L299 HydrophobicContact CB-CD2 4.48Å; I278-L299 HydrophobicContact CD1-CD2 4.16Å; I278-L299 HydrophobicContact CG2-CD1 4.09Å; I278-L299 HydrophobicContact CG2-CD2 4Å; I278-L299 HydrophobicContact CG2-CG 3.87Å; F279-L299 HydrophobicContact CE1-CD1 3.97Å; F279-L299 HydrophobicContact CZ-CD1 4Å; M282-L299 HydrophobicContact CE-CD1 4.08Å; Y295-L299 WeakPolarHBondContact O-CG 3.47Å; Y295-L299 PolarHBondContact O-N 3.49Å; G296-L299 PolarHBondContact O-N 3.39Å; C297-L299 PolarHBondContact O-N 3.36Å; L299-L302 PolarHBondContact O-N 3.18Å; L299-C303 PolarHBondContact O-N 3.27Å; L299-C303 PolarHBondContact O-SG 3.21Å; L299-C303 VanDerWaalsContact O-SG 3.38Å; L299-V314 HydrophobicContact CD2-CG2 4.45Å; L299-W339 HydrophobicContact CD1-CZ2 3.9Å; L299-W339 VanDerWaalsContact CD1-NE1 3.31Å
300I98.3Very high96.6Very high10 Ų1047.7 Ų47.75%0.05124%0.241CC..Hα-helixtrans-62.6-45.9174.4-68.5166.3000110.9G296 C297 L298 L302 C303 K304 F342 N346 F347G296-I300 WeakPolarHBondContact O-CG1 3.5Å; G296-I300 PolarHBondContact O-N 2.98Å; C297-I300 PolarHBondContact O-N 2.96Å; L298-I300 VanDerWaalsContact C-N 3.32Å; L298-I300 PolarHBondContact O-N 2.93Å; I300-L302 VanDerWaalsContact C-N 3.34Å; I300-C303 WeakPolarHBondContact O-CB 3.45Å; I300-C303 PolarHBondContact O-N 3.46Å; I300-K304 WeakPolarHBondContact O-CG 3.5Å; I300-K304 PolarHBondContact O-N 2.91Å; I300-K304 VanDerWaalsContact O-N 3.11Å; I300-F342 HydrophobicContact CD1-CD1 4.34Å; I300-F342 HydrophobicContact CD1-CE1 3.57Å; I300-F342 HydrophobicContact CD1-CZ 4.05Å; I300-N346 HydrophobicContact CD1-CB 3.8Å; I300-F347 HydrophobicContact CG1-CE2 4.01Å; I300-F347 HydrophobicContact CG1-CZ 4.44Å; I300-F347 HydrophobicContact CG2-CZ 4.47Å
301E98.4Very high96.7Very high40 Ų4048 Ų4819%0.18725%0.247CC..Hα-helixtrans-67-34.3178.8-68-57.9130.400112.3P252 K253 A256 C297 L298 K304 A305P252-E301 HydrophobicContact CB-CG 4.25Å; K253-E301 HydrophobicContact CB-CG 4.16Å; A256-E301 HydrophobicContact CB-CB 3.65Å; C297-E301 WeakPolarHBondContact O-CG 3.45Å; C297-E301 PolarHBondContact O-N 3.47Å; L298-E301 PolarHBondContact O-N 3.42Å; E301-K304 PolarHBondContact O-N 3.45Å; E301-K304 IonicContact OE1-NZ 2.87Å; E301-K304 PolarHBondContact OE1-NZ 2.94Å; E301-A305 WeakPolarHBondContact O-CB 3.36Å; E301-A305 PolarHBondContact O-N 3.48Å
302L98.3Very high96.7Very high3 Ų348.4 Ų48.42%0.01625%0.246CC..Hα-helixtrans-66.1-41.3171.8-74.9168.9000112.3A256 L259 T274 L275 I278 L298 L299 I300 K304 A305 Q306 V310A256-L302 HydrophobicContact CB-CD2 3.88Å; A256-L302 HydrophobicContact CB-CG 3.93Å; L259-L302 HydrophobicContact CB-CD2 4.36Å; T274-L302 HydrophobicContact CG2-CD1 4.18Å; L275-L302 HydrophobicContact CD1-CD1 4.33Å; I278-L302 HydrophobicContact CD1-CD1 3.36Å; L298-L302 HydrophobicContact CD1-CD1 4.41Å; L298-L302 HydrophobicContact CD1-CG 4.39Å; L298-L302 HydrophobicContact CG-CD1 4.15Å; L298-L302 WeakPolarHBondContact O-CG 3.49Å; L298-L302 PolarHBondContact O-N 3.15Å; L299-L302 PolarHBondContact O-N 3.18Å; I300-L302 VanDerWaalsContact C-N 3.34Å; L302-K304 PolarHBondContact O-N 3.33Å; L302-A305 PolarHBondContact O-N 3.33Å; L302-Q306 PolarHBondContact O-N 3.42Å; L302-V310 HydrophobicContact CB-CG1 3.99Å
303C97.7Very high96.8Very high9 Ų945 Ų456%0.06123%0.231CC..Hα-helixtrans-57.6-37.5172.5-76.20000111.7L299 I300 V307 P311 F347L299-C303 PolarHBondContact O-N 3.27Å; L299-C303 PolarHBondContact O-SG 3.21Å; L299-C303 VanDerWaalsContact O-SG 3.38Å; I300-C303 WeakPolarHBondContact O-CB 3.45Å; I300-C303 PolarHBondContact O-N 3.46Å; C303-V307 WeakPolarHBondContact O-CA 3.49Å; C303-V307 WeakPolarHBondContact O-CG1 3.38Å; C303-V307 PolarHBondContact O-N 2.89Å; C303-P311 HydrophobicContact CB-CG 4.17Å; C303-F347 HydrophobicContact CB-CZ 4.23Å
304K96.7Very high96.9Very high122 Ų12240.6 Ų40.653%0.5321%0.208SC..Hα-helixtrans-72.5-38.9175.8-66.1171.4-171168.10112.5I300 E301 L302 V307I300-K304 WeakPolarHBondContact O-CG 3.5Å; I300-K304 PolarHBondContact O-N 2.91Å; I300-K304 VanDerWaalsContact O-N 3.11Å; E301-K304 PolarHBondContact O-N 3.45Å; E301-K304 IonicContact OE1-NZ 2.87Å; E301-K304 PolarHBondContact OE1-NZ 2.94Å; L302-K304 PolarHBondContact O-N 3.33Å; K304-V307 WeakPolarHBondContact O-CG1 3.37Å
305A95.7Very high96.9Very high52 Ų5242 Ų4243%0.4322%0.221SC..Hα-helixtrans-70.5-35.5-179.200000112.5E301 L302E301-A305 WeakPolarHBondContact O-CB 3.36Å; E301-A305 PolarHBondContact O-N 3.48Å; L302-A305 PolarHBondContact O-N 3.33Å
306Q94.5Very high96.9Very high61 Ų6144.7 Ų44.729%0.28523%0.233SC..THydrogen-bonded Turntrans-130.760.1-174.3-65.3-173-18.500112.2L302 Y308 T309 V310 P311L302-Q306 PolarHBondContact O-N 3.42Å; Q306-Y308 PolarHBondContact O-N 3.15Å; Q306-T309 PolarHBondContact O-N 3.31Å; Q306-T309 VanDerWaalsContact O-N 3.08Å; Q306-V310 HydrophobicContact CB-CB 4.21Å; Q306-V310 HydrophobicContact CB-CG2 3.6Å; Q306-V310 HydrophobicContact CG-CG2 4.37Å; Q306-V310 PolarHBondContact O-N 3.47Å; Q306-P311 WeakPolarHBondContact O-CD 3.38Å
307V95.2Very high96.9Very high80 Ų8044.6 Ų44.649%0.48523%0.232SC..THydrogen-bonded Turntrans-54.4-26.3-170.8-60.90000116C303 K304 P311C303-V307 WeakPolarHBondContact O-CA 3.49Å; C303-V307 WeakPolarHBondContact O-CG1 3.38Å; C303-V307 PolarHBondContact O-N 2.89Å; K304-V307 WeakPolarHBondContact O-CG1 3.37Å; V307-P311 WeakPolarHBondContact O-CG 3.46Å
308Y93Very high96.9Very high198 Ų19842.8 Ų42.878%0.77622%0.221SC*.THydrogen-bonded Turntrans-93.1-12.6-176.9-59.6-68.2000114.3Q306Q306-Y308 PolarHBondContact O-N 3.15Å
309T93.4Very high96.8Very high36 Ų3645.4 Ų45.422%0.22123%0.233CC..THydrogen-bonded Turntrans-122.5-55.5-175.9-60.40000111.3K223 Q306 Q312 V313K223-T309 PolarHBondContact NZ-OG1 3.3Å; Q306-T309 PolarHBondContact O-N 3.31Å; Q306-T309 VanDerWaalsContact O-N 3.08Å; T309-Q312 PolarHBondContact O-N 3.02Å; T309-Q312 VanDerWaalsContact O-N 3.16Å; T309-V313 HydrophobicContact CG2-CG2 4.19Å; T309-V313 WeakPolarHBondContact O-CG2 3.31Å; T309-V313 PolarHBondContact O-N 2.97Å
310V96.6Very high96.8Very high1 Ų146.3 Ų46.31%0.00624%0.237CC..Hα-helixtrans-59.4-44.3-171.1170.30000113.2L275 L302 Q306 Q312 V313 V314L275-V310 HydrophobicContact CD1-CG1 4.23Å; L275-V310 HydrophobicContact CD2-CG1 4.48Å; L302-V310 HydrophobicContact CB-CG1 3.99Å; Q306-V310 HydrophobicContact CB-CB 4.21Å; Q306-V310 HydrophobicContact CB-CG2 3.6Å; Q306-V310 HydrophobicContact CG-CG2 4.37Å; Q306-V310 PolarHBondContact O-N 3.47Å; V310-Q312 VanDerWaalsContact C-N 3.25Å; V310-Q312 PolarHBondContact O-N 2.93Å; V310-V313 PolarHBondContact O-N 3.04Å; V310-V313 VanDerWaalsContact O-N 3.09Å; V310-V314 HydrophobicContact CG1-CG2 3.95Å; V310-V314 WeakPolarHBondContact O-CG2 3.44Å; V310-V314 PolarHBondContact O-N 2.99Å
311P97.1Very high96.8Very high52 Ų5245.9 Ų45.934%0.33824%0.235SC..Hα-helixtrans-56.9-36.7179-28.437.1000114.1C303 Q306 V307 A315C303-P311 HydrophobicContact CB-CG 4.17Å; Q306-P311 WeakPolarHBondContact O-CD 3.38Å; V307-P311 WeakPolarHBondContact O-CG 3.46Å; P311-A315 PolarHBondContact O-N 3.4Å
312Q95.7Very high96.8Very high135 Ų13544 Ų4463%0.63123%0.226SC*.Hα-helixtrans-68.4-42.8177.3-65.3175.1-12.800111.2T309 V310 A315 Q316T309-Q312 PolarHBondContact O-N 3.02Å; T309-Q312 VanDerWaalsContact O-N 3.16Å; V310-Q312 VanDerWaalsContact C-N 3.25Å; V310-Q312 PolarHBondContact O-N 2.93Å; Q312-A315 PolarHBondContact O-N 3.38Å; Q312-Q316 PolarHBondContact O-N 2.91Å
313V96.6Very high96.7Very high1 Ų149.1 Ų49.11%0.00625%0.25CS..Hα-helixtrans-67.3-37.2177.7-171.60000111.1F214 Y272 L275 T309 V310 Q316 A317F214-V313 HydrophobicContact CZ-CG1 4.03Å; Y272-V313 HydrophobicContact CD1-CG1 3.77Å; Y272-V313 HydrophobicContact CD2-CG1 4.14Å; Y272-V313 HydrophobicContact CD2-CG2 4.01Å; Y272-V313 HydrophobicContact CE1-CG1 3.84Å; Y272-V313 HydrophobicContact CE1-CG2 4.36Å; Y272-V313 HydrophobicContact CE2-CG1 4.18Å; Y272-V313 HydrophobicContact CE2-CG2 3.5Å; Y272-V313 HydrophobicContact CG-CG1 3.92Å; L275-V313 HydrophobicContact CB-CG1 4.5Å; L275-V313 HydrophobicContact CD2-CB 3.73Å; L275-V313 HydrophobicContact CD2-CG1 3.54Å; T309-V313 HydrophobicContact CG2-CG2 4.19Å; T309-V313 WeakPolarHBondContact O-CG2 3.31Å; T309-V313 PolarHBondContact O-N 2.97Å; V310-V313 PolarHBondContact O-N 3.04Å; V310-V313 VanDerWaalsContact O-N 3.09Å; V313-Q316 PolarHBondContact O-N 3.11Å; V313-A317 VanDerWaalsContact O-CB 3.26Å; V313-A317 WeakPolarHBondContact O-CB 3.41Å; V313-A317 PolarHBondContact O-N 3Å
314V98.2Very high96.7Very high2 Ų250.7 Ų50.71%0.01226%0.255CS..Hα-helixtrans-61.1-47.6172.5174.20000110.3L275 L299 V310 Q316 A317 T318 W339L275-V314 HydrophobicContact CD2-CB 4.42Å; L275-V314 HydrophobicContact CD2-CG2 3.61Å; L275-V314 HydrophobicContact CG-CG2 4.47Å; L299-V314 HydrophobicContact CD2-CG2 4.45Å; V310-V314 HydrophobicContact CG1-CG2 3.95Å; V310-V314 WeakPolarHBondContact O-CG2 3.44Å; V310-V314 PolarHBondContact O-N 2.99Å; V314-Q316 PolarHBondContact O-N 3Å; V314-A317 WeakPolarHBondContact O-CB 3.22Å; V314-A317 PolarHBondContact O-N 3.1Å; V314-T318 PolarHBondContact O-N 3.43Å; V314-T318 PolarHBondContact O-OG1 3.21Å; V314-W339 HydrophobicContact CG1-CH2 4.44Å; V314-W339 HydrophobicContact CG1-CZ2 4.17Å
315A97.6Very high96.7Very high40 Ų4045 Ų4533%0.33123%0.23SC..Hα-helixtrans-61-45.4179.200000112P311 Q312 A317 T318 E319 W351P311-A315 PolarHBondContact O-N 3.4Å; Q312-A315 PolarHBondContact O-N 3.38Å; A315-A317 PolarHBondContact O-N 2.78Å; A315-T318 PolarHBondContact O-N 3.49Å; A315-E319 PolarHBondContact O-N 2.97Å; A315-W351 HydrophobicContact CB-CH2 4.38Å; A315-W351 HydrophobicContact CB-CZ3 4.23Å
316Q97.4Very high96.7Very high57 Ų5744.5 Ų44.527%0.26623%0.23SC..Hα-helixtrans-61.3-43.4174.9-176.1179.91.400111.8D218 Y272 Q312 V313 V314 E319 I320D218-Q316 VanDerWaalsContact CB-NE2 3.32Å; D218-Q316 PolarHBondContact O-NE2 3.16Å; D218-Q316 PolarHBondContact O-OE1 3.49Å; D218-Q316 PolarHBondContact OD1-NE2 3.25Å; D218-Q316 VanDerWaalsContact OD1-NE2 3.11Å; Y272-Q316 PolarHBondContact OH-OE1 3.13Å; Q312-Q316 PolarHBondContact O-N 2.91Å; V313-Q316 PolarHBondContact O-N 3.11Å; V314-Q316 PolarHBondContact O-N 3Å; Q316-E319 PolarHBondContact O-N 3.32Å; Q316-I320 HydrophobicContact CG-CD1 4.17Å; Q316-I320 WeakPolarHBondContact O-CG1 3.37Å; Q316-I320 PolarHBondContact O-N 3.15Å
317A98.3Very high96.8Very high0 Ų042.6 Ų42.60%022%0.224CC..Hα-helixtrans-60.4-47.9176.800000111.4M213 F214 F279 V313 V314 A315 E319 I320 L321M213-A317 HydrophobicContact CE-CB 3.73Å; F214-A317 HydrophobicContact CE1-CB 4.4Å; F214-A317 HydrophobicContact CZ-CB 3.93Å; F279-A317 HydrophobicContact CD2-CB 4.19Å; F279-A317 HydrophobicContact CE2-CB 3.52Å; F279-A317 HydrophobicContact CZ-CB 4.23Å; V313-A317 VanDerWaalsContact O-CB 3.26Å; V313-A317 WeakPolarHBondContact O-CB 3.41Å; V313-A317 PolarHBondContact O-N 3Å; V314-A317 WeakPolarHBondContact O-CB 3.22Å; V314-A317 PolarHBondContact O-N 3.1Å; A315-A317 PolarHBondContact O-N 2.78Å; A317-E319 VanDerWaalsContact C-N 3.27Å; A317-E319 PolarHBondContact O-N 3.42Å; A317-I320 PolarHBondContact O-N 2.87Å; A317-L321 VanDerWaalsContact O-CG 3.25Å; A317-L321 WeakPolarHBondContact O-CG 3.48Å; A317-L321 PolarHBondContact O-N 3.46Å
318T98.6Very high96.9Very high0 Ų039.1 Ų39.10%020%0.202CC..Hα-helixtrans-55.3-43.9176.2-59.70000111.4V314 A315 L321 F322 F336 W339 F340 W351 W356V314-T318 PolarHBondContact O-N 3.43Å; V314-T318 PolarHBondContact O-OG1 3.21Å; A315-T318 PolarHBondContact O-N 3.49Å; T318-L321 PolarHBondContact O-N 3.26Å; T318-F322 WeakPolarHBondContact O-CB 3.43Å; T318-F322 PolarHBondContact O-N 3.12Å; T318-F336 HydrophobicContact CG2-CE2 4.08Å; T318-F336 HydrophobicContact CG2-CZ 3.95Å; T318-W339 WeakPolarHBondContact OG1-CH2 3.49Å; T318-F340 HydrophobicContact CG2-CD1 4.5Å; T318-F340 HydrophobicContact CG2-CD2 4.06Å; T318-F340 HydrophobicContact CG2-CE1 4.15Å; T318-F340 HydrophobicContact CG2-CE2 3.68Å; T318-F340 HydrophobicContact CG2-CG 4.48Å; T318-F340 HydrophobicContact CG2-CZ 3.73Å; T318-W351 HydrophobicContact CG2-CH2 3.66Å; T318-W351 HydrophobicContact CG2-CZ2 3.81Å; T318-W351 HydrophobicContact CG2-CZ3 4.39Å; T318-W356 HydrophobicContact CG2-CH2 4.09Å; T318-W356 HydrophobicContact CG2-CZ2 4.08Å
319E97.6Very high97.1Very high54 Ų5430.5 Ų30.525%0.25217%0.17SC..Hα-helixtrans-65.8-43.2178.6-17254.3-147.400111.7A315 Q316 A317 L321 F322 Q323 W356A315-E319 PolarHBondContact O-N 2.97Å; Q316-E319 PolarHBondContact O-N 3.32Å; A317-E319 VanDerWaalsContact C-N 3.27Å; A317-E319 PolarHBondContact O-N 3.42Å; E319-L321 VanDerWaalsContact C-N 3.33Å; E319-L321 PolarHBondContact O-N 2.86Å; E319-F322 PolarHBondContact O-N 3.13Å; E319-Q323 WeakPolarHBondContact O-CG 3.23Å; E319-Q323 PolarHBondContact O-N 3.05Å; E319-Q323 WeakPolarHBondContact OE1-CG 3.23Å; E319-Q323 PolarHBondContact OE1-NE2 3.36Å; E319-W356 PolarHBondContact OE2-NE1 3.3Å
320I97.4Very high97.2Very high20 Ų2029.7 Ų29.710%0.10316%0.164CC..Hα-helixtrans-59.8-44.1174.3-69.7169.5000111.3M213 F214 Q316 A317 F322 Q323 R324M213-I320 HydrophobicContact CE-CB 3.98Å; M213-I320 HydrophobicContact CE-CD1 4.46Å; M213-I320 HydrophobicContact CE-CG2 3.87Å; F214-I320 HydrophobicContact CD1-CD1 3.83Å; F214-I320 HydrophobicContact CE1-CD1 3.82Å; Q316-I320 HydrophobicContact CG-CD1 4.17Å; Q316-I320 WeakPolarHBondContact O-CG1 3.37Å; Q316-I320 PolarHBondContact O-N 3.15Å; A317-I320 PolarHBondContact O-N 2.87Å; I320-F322 VanDerWaalsContact C-N 3.35Å; I320-Q323 PolarHBondContact O-N 2.93Å; I320-R324 WeakPolarHBondContact O-CB 3.31Å; I320-R324 VanDerWaalsContact O-CG 3.31Å; I320-R324 WeakPolarHBondContact O-CG 3.32Å; I320-R324 PolarHBondContact O-N 2.64Å; I320-R324 VanDerWaalsContact O-N 3.16Å
321L98.4Very high97.2Very high0 Ų029.7 Ų29.70%016%0.164CC..Hα-helixtrans-60.9-45.6177.3-65.5172.4000110.6W139 F211 M213 F279 F283 A317 T318 E319 R324 L325 M328 F336 W339W139-L321 HydrophobicContact CH2-CD2 3.91Å; W139-L321 HydrophobicContact CZ2-CD2 3.7Å; F211-L321 HydrophobicContact CZ-CD2 4.5Å; M213-L321 HydrophobicContact CE-CD2 4.24Å; M213-L321 HydrophobicContact CE-CG 4.21Å; F279-L321 HydrophobicContact CD1-CD1 4.17Å; F279-L321 HydrophobicContact CE1-CD1 4.1Å; F279-L321 HydrophobicContact CZ-CD1 4.44Å; F283-L321 HydrophobicContact CD2-CD2 4.45Å; F283-L321 HydrophobicContact CE2-CD1 3.82Å; F283-L321 HydrophobicContact CE2-CD2 3.74Å; F283-L321 HydrophobicContact CE2-CG 4.46Å; F283-L321 HydrophobicContact CZ-CD1 4Å; F283-L321 HydrophobicContact CZ-CD2 4.45Å; A317-L321 VanDerWaalsContact O-CG 3.25Å; A317-L321 WeakPolarHBondContact O-CG 3.48Å; A317-L321 PolarHBondContact O-N 3.46Å; T318-L321 PolarHBondContact O-N 3.26Å; E319-L321 VanDerWaalsContact C-N 3.33Å; E319-L321 PolarHBondContact O-N 2.86Å; L321-R324 PolarHBondContact O-N 3.21Å; L321-L325 PolarHBondContact O-N 3.18Å; L321-M328 HydrophobicContact CD2-CE 3.79Å; L321-F336 HydrophobicContact CB-CD1 4.03Å; L321-F336 HydrophobicContact CB-CE1 3.48Å; L321-F336 VanDerWaalsContact CB-CE1 3.48Å; L321-F336 HydrophobicContact CB-CE2 4.44Å; L321-F336 HydrophobicContact CB-CZ 3.71Å; L321-F336 HydrophobicContact CD1-CD2 4.37Å; L321-F336 HydrophobicContact CD1-CE2 4.2Å; L321-F336 HydrophobicContact CD1-CZ 4.27Å; L321-W339 HydrophobicContact CD1-CZ3 4.1Å
322F98.2Very high97.2Very high0 Ų027.2 Ų27.20%015%0.148CC..Hα-helixtrans-62.1-45178.8-178.6-101.9000112.7T318 E319 I320 R324 L325 W356 Q368 F371 V372T318-F322 WeakPolarHBondContact O-CB 3.43Å; T318-F322 PolarHBondContact O-N 3.12Å; E319-F322 PolarHBondContact O-N 3.13Å; I320-F322 VanDerWaalsContact C-N 3.35Å; F322-R324 PolarHBondContact O-N 3.49Å; F322-L325 HydrophobicContact CD2-CD1 3.69Å; F322-L325 HydrophobicContact CE2-CD1 4.13Å; F322-L325 HydrophobicContact CG-CD1 4.37Å; F322-L325 WeakPolarHBondContact O-CD1 3.31Å; F322-L325 WeakPolarHBondContact O-CG 3.45Å; F322-L325 PolarHBondContact O-N 3.16Å; F322-W356 HydrophobicContact CB-CZ2 3.96Å; F322-W356 AromaticContact CD1-CD1 3.81Å; F322-W356 HydrophobicContact CD1-CD2 4.4Å; F322-W356 AromaticContact CD1-CE2 3.89Å; F322-W356 HydrophobicContact CD1-CG 4.36Å; F322-W356 HydrophobicContact CD1-CZ2 4.41Å; F322-W356 AromaticContact CD1-NE1 3.53Å; F322-W356 HydrophobicContact CD2-CD2 4.15Å; F322-W356 AromaticContact CD2-CE2 3.93Å; F322-W356 HydrophobicContact CD2-CE3 4.4Å; F322-W356 HydrophobicContact CD2-CH2 4.22Å; F322-W356 AromaticContact CD2-CZ2 3.98Å; F322-W356 HydrophobicContact CD2-CZ2 3.98Å; F322-W356 HydrophobicContact CD2-CZ3 4.44Å; F322-W356 HydrophobicContact CE1-CB 4.43Å; F322-W356 AromaticContact CE1-CD1 3.54Å; F322-W356 HydrophobicContact CE1-CD2 4.23Å; F322-W356 AromaticContact CE1-CG 3.85Å; F322-W356 HydrophobicContact CE1-CG 3.85Å; F322-W356 AromaticContact CE1-NE1 3.78Å; F322-W356 AromaticContact CE2-CD2 3.97Å; F322-W356 HydrophobicContact CE2-CD2 3.97Å; F322-W356 HydrophobicContact CE2-CE3 4.19Å; F322-W356 HydrophobicContact CE2-CG 4.24Å; F322-W356 HydrophobicContact CG-CD2 4.36Å; F322-W356 AromaticContact CG-CE2 3.76Å; F322-W356 AromaticContact CG-CZ2 3.86Å; F322-W356 HydrophobicContact CG-CZ2 3.86Å; F322-W356 AromaticContact CG-NE1 3.88Å; F322-W356 HydrophobicContact CZ-CB 4.1Å; F322-W356 AromaticContact CZ-CD1 3.97Å; F322-W356 HydrophobicContact CZ-CD2 4.01Å; F322-W356 AromaticContact CZ-CG 3.78Å; F322-W356 HydrophobicContact CZ-CG 3.78Å; F322-Q368 HydrophobicContact CD1-CG 4.47Å; F322-Q368 HydrophobicContact CD2-CG 4.45Å; F322-Q368 HydrophobicContact CE1-CB 4.41Å; F322-Q368 HydrophobicContact CE1-CG 3.95Å; F322-Q368 HydrophobicContact CE2-CB 3.94Å; F322-Q368 HydrophobicContact CE2-CG 3.92Å; F322-Q368 HydrophobicContact CZ-CB 3.68Å; F322-Q368 HydrophobicContact CZ-CG 3.66Å; F322-Q368 PolarHBondContact O-NE2 3.45Å; F322-F371 AromaticContact CD2-CD1 3.7Å; F322-F371 HydrophobicContact CD2-CD1 3.7Å; F322-F371 AromaticContact CD2-CE1 3.93Å; F322-F371 HydrophobicContact CD2-CE1 3.93Å; F322-F371 AromaticContact CE2-CD1 3.86Å; F322-F371 HydrophobicContact CE2-CD1 3.86Å; F322-F371 HydrophobicContact CE2-CE1 4.4Å; F322-V372 HydrophobicContact CE2-CG2 3.88Å; F322-V372 HydrophobicContact CZ-CG2 4.34Å
323Q97Very high97.4Very high112 Ų11221.6 Ų21.652%0.52312%0.122SC..Hα-helixtrans-66.8-24.1178.1-66.8-58.9-23.900113E319 I320E319-Q323 WeakPolarHBondContact O-CG 3.23Å; E319-Q323 PolarHBondContact O-N 3.05Å; E319-Q323 WeakPolarHBondContact OE1-CG 3.23Å; E319-Q323 PolarHBondContact OE1-NE2 3.36Å; I320-Q323 PolarHBondContact O-N 2.93Å
324R97.1Very high97.4Very high42 Ų4222.6 Ų22.616%0.15813%0.127CC..THydrogen-bonded Turntrans-101.213-178.5-61.1-179-170.4167.711.2113.9W139 M213 I320 L321 F322 G326 S327W139-R324 VanDerWaalsContact CD1-O 3.23Å; W139-R324 HydrophobicContact CZ2-CB 4.33Å; W139-R324 VanDerWaalsContact NE1-CB 3.34Å; W139-R324 PolarHBondContact NE1-O 3.08Å; W139-R324 VanDerWaalsContact NE1-O 3.16Å; M213-R324 PolarHBondContact O-NH1 3.34Å; M213-R324 PolarHBondContact O-NH2 3.25Å; M213-R324 VanDerWaalsContact O-NH2 3.08Å; I320-R324 WeakPolarHBondContact O-CB 3.31Å; I320-R324 VanDerWaalsContact O-CG 3.31Å; I320-R324 WeakPolarHBondContact O-CG 3.32Å; I320-R324 PolarHBondContact O-N 2.64Å; I320-R324 VanDerWaalsContact O-N 3.16Å; L321-R324 PolarHBondContact O-N 3.21Å; F322-R324 PolarHBondContact O-N 3.49Å; R324-G326 PolarHBondContact O-N 3.14Å; R324-S327 PolarHBondContact O-N 3.45Å
325L97.4Very high97.4Very high1 Ų123.2 Ų23.21%0.00513%0.13CC..G310 helixtrans-59-28.3178-74.7169000113.3L321 F322 S327 M328 I333 F336 P367 Q368 F371L321-L325 PolarHBondContact O-N 3.18Å; F322-L325 HydrophobicContact CD2-CD1 3.69Å; F322-L325 HydrophobicContact CE2-CD1 4.13Å; F322-L325 HydrophobicContact CG-CD1 4.37Å; F322-L325 WeakPolarHBondContact O-CD1 3.31Å; F322-L325 WeakPolarHBondContact O-CG 3.45Å; F322-L325 PolarHBondContact O-N 3.16Å; L325-S327 PolarHBondContact O-N 3.01Å; L325-S327 VanDerWaalsContact O-N 3.13Å; L325-M328 HydrophobicContact CD2-SD 4.17Å; L325-M328 PolarHBondContact O-N 3.13Å; L325-M328 VanDerWaalsContact O-N 3.12Å; L325-I333 HydrophobicContact CD2-CD1 4.16Å; L325-I333 HydrophobicContact CD2-CG1 3.85Å; L325-I333 HydrophobicContact CD2-CG2 4.24Å; L325-F336 HydrophobicContact CD2-CD1 4.06Å; L325-F336 HydrophobicContact CD2-CE1 4.35Å; L325-P367 HydrophobicContact CB-CB 3.72Å; L325-Q368 HydrophobicContact CD1-CG 4.07Å; L325-F371 HydrophobicContact CD1-CB 3.49Å; L325-F371 VanDerWaalsContact CD1-CB 3.49Å; L325-F371 HydrophobicContact CD1-CD1 3.98Å; L325-F371 HydrophobicContact CD1-CD2 4.19Å; L325-F371 HydrophobicContact CD1-CG 3.62Å; L325-F371 HydrophobicContact CD2-CB 4.45Å; L325-F371 HydrophobicContact CD2-CD2 4.12Å; L325-F371 HydrophobicContact CD2-CG 4.36Å
326G95Very high97.5Very high42 Ų4221.3 Ų21.343%0.43311%0.114SC..G310 helixtrans-57.3-28.5-176.500000115.9R324 R645R324-G326 PolarHBondContact O-N 3.14Å; G326-R645 PolarHBondContact O-NH1 2.85Å
327S96.1Very high97.5Very high22 Ų2218.7 Ų18.715%0.15410%0.102CC..G310 helixtrans-117.73.717862.10000112.9W139 T140 S141 R324 L325W139-S327 CarbonylContact C-O 3.13Å; W139-S327 VanDerWaalsContact CA-O 3.31Å; W139-S327 WeakPolarHBondContact CA-O 3.5Å; T140-S327 PolarHBondContact N-O 3.38Å; T140-S327 WeakPolarHBondContact OG1-CB 3.33Å; T140-S327 PolarHBondContact OG1-O 3.06Å; S141-S327 WeakPolarHBondContact CB-OG 3.42Å; R324-S327 PolarHBondContact O-N 3.45Å; L325-S327 PolarHBondContact O-N 3.01Å; L325-S327 VanDerWaalsContact O-N 3.13Å
328M98.1Very high97.5Very high7 Ų720.7 Ų20.73%0.03411%0.112CC..BIsolated β-bridgetrans-74.1138.9-177.3-173.8174.9-91.900111V138 W139 L321 L325 C332 I333V138-M328 HydrophobicContact CG1-CE 4.01Å; V138-M328 HydrophobicContact CG1-CG 4.3Å; V138-M328 CarbonylContact O-C 3.27Å; V138-M328 VanDerWaalsContact O-CA 3.24Å; V138-M328 WeakPolarHBondContact O-CA 3.37Å; W139-M328 HydrophobicContact CH2-CE 4.41Å; W139-M328 HydrophobicContact CZ2-CE 3.45Å; W139-M328 VanDerWaalsContact CZ2-CE 3.45Å; L321-M328 HydrophobicContact CD2-CE 3.79Å; L325-M328 HydrophobicContact CD2-SD 4.17Å; L325-M328 PolarHBondContact O-N 3.13Å; L325-M328 VanDerWaalsContact O-N 3.12Å; M328-C332 HydrophobicContact CG-CB 3.83Å; M328-C332 HydrophobicContact SD-CB 4.01Å; M328-I333 HydrophobicContact CB-CD1 4.2Å; M328-I333 HydrophobicContact CB-CG1 3.93Å; M328-I333 HydrophobicContact CG-CG1 3.78Å; M328-I333 HydrophobicContact SD-CG1 3.86Å
329N97Very high97.5Very high17 Ų1721.3 Ų21.39%0.09112%0.115CC..  trans-61.8136.1174.9-174.2-63000110.6V138 L285 A331 C332 I333V138-N329 PolarHBondContact O-N 2.98Å; L285-N329 HydrophobicContact CD1-CB 4.02Å; L285-N329 WeakPolarHBondContact CD1-ND2 3.24Å; N329-A331 PolarHBondContact O-N 3.38Å; N329-A331 WeakPolarHBondContact OD1-CB 3.46Å; N329-A331 PolarHBondContact OD1-N 2.88Å; N329-C332 HydrophobicContact CB-CB 4.47Å; N329-C332 WeakPolarHBondContact O-CA 3.24Å; N329-C332 WeakPolarHBondContact O-CB 3.14Å; N329-C332 PolarHBondContact O-N 2.95Å; N329-I333 PolarHBondContact O-N 3.43Å
330I96.4Very high97.5Very high18 Ų1818.8 Ų18.89%0.09210%0.103CC..Hα-helixtrans-58.2-35.4-173.8-158.765.1000113C332 I333 D334 I646 G649 Q653I330-C332 VanDerWaalsContact C-N 3.26Å; I330-C332 PolarHBondContact O-N 3.39Å; I330-I333 HydrophobicContact CD1-CD1 4.24Å; I330-I333 PolarHBondContact O-N 2.81Å; I330-D334 PolarHBondContact O-N 2.78Å; I330-I646 HydrophobicContact CD1-CG1 4.32Å; I330-I646 HydrophobicContact CD1-CG2 4.25Å; I330-G649 VanDerWaalsContact CG2-C 3.44Å; I330-G649 WeakPolarHBondContact CG2-O 3.4Å; I330-Q653 HydrophobicContact CG2-CB 4.16Å
331A96Very high97.6Very high2 Ų217.8 Ų17.82%0.01710%0.098CC..Hα-helixtrans-66.4-31.6177.100000111.7L285 N329 R335 Q653L285-A331 HydrophobicContact CD2-CB 3.85Å; N329-A331 PolarHBondContact O-N 3.38Å; N329-A331 WeakPolarHBondContact OD1-CB 3.46Å; N329-A331 PolarHBondContact OD1-N 2.88Å; A331-R335 VanDerWaalsContact O-CG 3.31Å; A331-R335 WeakPolarHBondContact O-CG 3.39Å; A331-R335 PolarHBondContact O-N 2.88Å; A331-Q653 HydrophobicContact CB-CG 3.87Å
332C98.1Very high97.6Very high0 Ų020 Ų200%011%0.108CC..Hα-helixtrans-75.4-36175.2-58.70000111.2V138 F283 M328 N329 I330 R335 F336V138-C332 HydrophobicContact CG1-CB 4.13Å; F283-C332 HydrophobicContact CB-CB 4.31Å; F283-C332 HydrophobicContact CD1-CB 4.01Å; F283-C332 HydrophobicContact CG-CB 4.35Å; F283-C332 PolarHBondContact O-SG 3.18Å; F283-C332 VanDerWaalsContact O-SG 3.33Å; M328-C332 HydrophobicContact CG-CB 3.83Å; M328-C332 HydrophobicContact SD-CB 4.01Å; N329-C332 HydrophobicContact CB-CB 4.47Å; N329-C332 WeakPolarHBondContact O-CA 3.24Å; N329-C332 WeakPolarHBondContact O-CB 3.14Å; N329-C332 PolarHBondContact O-N 2.95Å; I330-C332 VanDerWaalsContact C-N 3.26Å; I330-C332 PolarHBondContact O-N 3.39Å; C332-R335 PolarHBondContact O-N 3.47Å; C332-F336 WeakPolarHBondContact O-CB 3.24Å; C332-F336 PolarHBondContact O-N 2.88Å
333I98.1Very high97.6Very high17 Ų1721 Ų219%0.08711%0.112CC..Hα-helixtrans-60.9-46.4173.5-61.3179.2000110.3L325 M328 N329 I330 R335 F336 V337 F371L325-I333 HydrophobicContact CD2-CD1 4.16Å; L325-I333 HydrophobicContact CD2-CG1 3.85Å; L325-I333 HydrophobicContact CD2-CG2 4.24Å; M328-I333 HydrophobicContact CB-CD1 4.2Å; M328-I333 HydrophobicContact CB-CG1 3.93Å; M328-I333 HydrophobicContact CG-CG1 3.78Å; M328-I333 HydrophobicContact SD-CG1 3.86Å; N329-I333 PolarHBondContact O-N 3.43Å; I330-I333 HydrophobicContact CD1-CD1 4.24Å; I330-I333 PolarHBondContact O-N 2.81Å; I333-R335 VanDerWaalsContact C-N 3.3Å; I333-R335 PolarHBondContact O-N 3.21Å; I333-F336 WeakPolarHBondContact O-CB 3.44Å; I333-F336 PolarHBondContact O-N 3.42Å; I333-F336 VanDerWaalsContact O-N 3.1Å; I333-V337 WeakPolarHBondContact O-CG2 3.39Å; I333-V337 PolarHBondContact O-N 3.04Å; I333-F371 HydrophobicContact CG2-CD2 4.19Å
334D97.7Very high97.6Very high22 Ų2215.7 Ų15.712%0.1189%0.088CC..Hα-helixtrans-56.1-45.3175.8-74.8-7.7000112.1I330 F336 V337 N338 Q554 R650I330-D334 PolarHBondContact O-N 2.78Å; D334-F336 VanDerWaalsContact C-N 3.32Å; D334-V337 PolarHBondContact O-N 2.94Å; D334-N338 WeakPolarHBondContact O-CB 3.48Å; D334-N338 PolarHBondContact O-N 3.22Å; D334-N338 PolarHBondContact O-ND2 2.95Å; D334-Q554 PolarHBondContact O-NE2 3.16Å; D334-R650 IonicContact OD1-CZ 3.73Å; D334-R650 IonicContact OD1-NH1 3.55Å; D334-R650 PolarHBondContact OD1-NH1 3.29Å; D334-R650 IonicContact OD1-NH2 3.03Å; D334-R650 PolarHBondContact OD1-NH2 2.85Å; D334-R650 IonicContact OD2-CZ 2.77Å; D334-R650 IonicContact OD2-NH1 3.88Å; D334-R650 PolarHBondContact OD2-NH1 3.2Å; D334-R650 IonicContact OD2-NH2 4Å; D334-R650 PolarHBondContact OD2-NH2 3.37Å
335R98.1Very high97.7Very high15 Ų1515.4 Ų15.46%0.0579%0.092CC..Hα-helixtrans-65.8-37.1177.7-68.9-179.8-164152.911.6111.7M282 F283 R284 P286 E292 A331 C332 I333 N338 W339M282-R335 WeakPolarHBondContact O-CD 3.32Å; M282-R335 PolarHBondContact O-NH1 3.18Å; M282-R335 VanDerWaalsContact O-NH1 3.13Å; F283-R335 HydrophobicContact CD1-CB 4.09Å; F283-R335 HydrophobicContact CE1-CB 4.05Å; R284-R335 PolarHBondContact O-NH1 3.28Å; P286-R335 PolarHBondContact O-NH2 3.22Å; E292-R335 WeakPolarHBondContact OE1-CD 3.42Å; E292-R335 WeakPolarHBondContact OE1-CG 3.38Å; E292-R335 IonicContact OE1-NE 2.66Å; E292-R335 PolarHBondContact OE1-NE 3.18Å; E292-R335 VanDerWaalsContact OE1-NE 3.15Å; A331-R335 VanDerWaalsContact O-CG 3.31Å; A331-R335 WeakPolarHBondContact O-CG 3.39Å; A331-R335 PolarHBondContact O-N 2.88Å; C332-R335 PolarHBondContact O-N 3.47Å; I333-R335 VanDerWaalsContact C-N 3.3Å; I333-R335 PolarHBondContact O-N 3.21Å; R335-N338 PolarHBondContact O-N 3.41Å; R335-W339 VanDerWaalsContact O-CB 3.28Å; R335-W339 WeakPolarHBondContact O-CB 3.24Å; R335-W339 PolarHBondContact O-N 3.42Å
336F98.7Very high97.7Very high0 Ų019.2 Ų19.20%011%0.112CC..Hα-helixtrans-64.6-47.3175.8-176.9-164.7000110.4F283 T318 L321 L325 C332 I333 D334 N338 W339 F340 F371F283-F336 HydrophobicContact CE1-CB 3.98Å; F283-F336 HydrophobicContact CZ-CB 4.08Å; F283-F336 HydrophobicContact CZ-CG 4.49Å; T318-F336 HydrophobicContact CG2-CE2 4.08Å; T318-F336 HydrophobicContact CG2-CZ 3.95Å; L321-F336 HydrophobicContact CB-CD1 4.03Å; L321-F336 HydrophobicContact CB-CE1 3.48Å; L321-F336 VanDerWaalsContact CB-CE1 3.48Å; L321-F336 HydrophobicContact CB-CE2 4.44Å; L321-F336 HydrophobicContact CB-CZ 3.71Å; L321-F336 HydrophobicContact CD1-CD2 4.37Å; L321-F336 HydrophobicContact CD1-CE2 4.2Å; L321-F336 HydrophobicContact CD1-CZ 4.27Å; L325-F336 HydrophobicContact CD2-CD1 4.06Å; L325-F336 HydrophobicContact CD2-CE1 4.35Å; C332-F336 WeakPolarHBondContact O-CB 3.24Å; C332-F336 PolarHBondContact O-N 2.88Å; I333-F336 WeakPolarHBondContact O-CB 3.44Å; I333-F336 PolarHBondContact O-N 3.42Å; I333-F336 VanDerWaalsContact O-N 3.1Å; D334-F336 VanDerWaalsContact C-N 3.32Å; F336-N338 VanDerWaalsContact C-N 3.33Å; F336-N338 PolarHBondContact O-N 2.81Å; F336-W339 AromaticContact CD2-CE3 3.54Å; F336-W339 HydrophobicContact CD2-CE3 3.54Å; F336-W339 AromaticContact CD2-CZ3 3.57Å; F336-W339 HydrophobicContact CD2-CZ3 3.57Å; F336-W339 AromaticContact CE2-CE3 3.91Å; F336-W339 HydrophobicContact CE2-CE3 3.91Å; F336-W339 AromaticContact CE2-CZ3 3.45Å; F336-W339 HydrophobicContact CE2-CZ3 3.45Å; F336-W339 VanDerWaalsContact CE2-CZ3 3.45Å; F336-W339 PolarHBondContact O-N 3Å; F336-F340 HydrophobicContact CD2-CB 3.95Å; F336-F340 HydrophobicContact CE2-CB 3.86Å; F336-F340 HydrophobicContact CE2-CD1 4.43Å; F336-F340 HydrophobicContact CE2-CG 4.08Å; F336-F340 WeakPolarHBondContact O-CB 3.31Å; F336-F340 PolarHBondContact O-N 3.13Å; F336-F371 HydrophobicContact CB-CE2 4.03Å; F336-F371 HydrophobicContact CD1-CD2 4.03Å; F336-F371 AromaticContact CD1-CE2 3.3Å; F336-F371 HydrophobicContact CD1-CE2 3.3Å; F336-F371 AromaticContact CD1-CZ 3.68Å; F336-F371 HydrophobicContact CD1-CZ 3.68Å; F336-F371 AromaticContact CD2-CE2 3.94Å; F336-F371 HydrophobicContact CD2-CE2 3.94Å; F336-F371 AromaticContact CD2-CZ 3.91Å; F336-F371 HydrophobicContact CD2-CZ 3.91Å; F336-F371 HydrophobicContact CE1-CD2 4.36Å; F336-F371 HydrophobicContact CE1-CE1 4.16Å; F336-F371 AromaticContact CE1-CE2 3.6Å; F336-F371 HydrophobicContact CE1-CE2 3.6Å; F336-F371 AromaticContact CE1-CZ 3.47Å; F336-F371 HydrophobicContact CE1-CZ 3.47Å; F336-F371 VanDerWaalsContact CE1-CZ 3.47Å; F336-F371 HydrophobicContact CE2-CE2 4.2Å; F336-F371 AromaticContact CE2-CZ 3.72Å; F336-F371 HydrophobicContact CE2-CZ 3.72Å; F336-F371 HydrophobicContact CG-CD2 4.49Å; F336-F371 AromaticContact CG-CE2 3.49Å; F336-F371 HydrophobicContact CG-CE2 3.49Å; F336-F371 VanDerWaalsContact CG-CE2 3.49Å; F336-F371 AromaticContact CG-CZ 3.9Å; F336-F371 HydrophobicContact CG-CZ 3.9Å; F336-F371 HydrophobicContact CZ-CE1 4.2Å; F336-F371 HydrophobicContact CZ-CE2 4.06Å; F336-F371 AromaticContact CZ-CZ 3.51Å; F336-F371 HydrophobicContact CZ-CZ 3.51Å
337V98.5Very high97.7Very high2 Ų221 Ų211%0.01211%0.108CC..Hα-helixtrans-54.1-50.8174166.70000110.8I333 D334 F340 A341 F371 E374 R378I333-V337 WeakPolarHBondContact O-CG2 3.39Å; I333-V337 PolarHBondContact O-N 3.04Å; D334-V337 PolarHBondContact O-N 2.94Å; V337-F340 PolarHBondContact O-N 2.75Å; V337-A341 VanDerWaalsContact O-CB 3.27Å; V337-A341 WeakPolarHBondContact O-CB 3.4Å; V337-A341 PolarHBondContact O-N 3.02Å; V337-F371 HydrophobicContact CG2-CD2 3.54Å; V337-F371 HydrophobicContact CG2-CE2 3.66Å; V337-F371 HydrophobicContact CG2-CG 4.48Å; V337-E374 HydrophobicContact CG1-CB 4.11Å; V337-E374 HydrophobicContact CG2-CB 3.98Å; V337-R378 HydrophobicContact CG1-CB 4.12Å
338N98Very high97.7Very high42 Ų4229.9 Ų29.923%0.22514%0.138CC..Hα-helixtrans-64-49-177.7-74.2-27.3000112.6D334 R335 F336 F342 R378 Q554D334-N338 WeakPolarHBondContact O-CB 3.48Å; D334-N338 PolarHBondContact O-N 3.22Å; D334-N338 PolarHBondContact O-ND2 2.95Å; R335-N338 PolarHBondContact O-N 3.41Å; F336-N338 VanDerWaalsContact C-N 3.33Å; F336-N338 PolarHBondContact O-N 2.81Å; N338-F342 WeakPolarHBondContact O-CB 3.34Å; N338-F342 PolarHBondContact O-N 2.8Å; N338-F342 VanDerWaalsContact O-N 3.12Å; N338-R378 PolarHBondContact OD1-NE 3.4Å; N338-Q554 PolarHBondContact ND2-NE2 3.41Å
339W98.5Very high97.7Very high12 Ų1229.8 Ų29.85%0.04514%0.138CC..Hα-helixtrans-62.1-46.9177.9160.665.2000111.3F279 M282 L299 V314 T318 L321 R335 F336 F342 H343F279-W339 HydrophobicContact CE1-CD2 4.04Å; F279-W339 AromaticContact CE1-CE2 3.89Å; F279-W339 AromaticContact CE1-CE3 3.8Å; F279-W339 HydrophobicContact CE1-CE3 3.8Å; F279-W339 AromaticContact CE1-CH2 3.41Å; F279-W339 HydrophobicContact CE1-CH2 3.41Å; F279-W339 VanDerWaalsContact CE1-CH2 3.41Å; F279-W339 AromaticContact CE1-CZ2 3.61Å; F279-W339 HydrophobicContact CE1-CZ2 3.61Å; F279-W339 AromaticContact CE1-CZ3 3.49Å; F279-W339 HydrophobicContact CE1-CZ3 3.49Å; F279-W339 VanDerWaalsContact CE1-CZ3 3.49Å; F279-W339 AromaticContact CZ-CH2 3.38Å; F279-W339 HydrophobicContact CZ-CH2 3.38Å; F279-W339 AromaticContact CZ-CZ2 3.6Å; F279-W339 HydrophobicContact CZ-CZ2 3.6Å; F279-W339 AromaticContact CZ-CZ3 3.92Å; F279-W339 HydrophobicContact CZ-CZ3 3.92Å; M282-W339 HydrophobicContact CE-CB 4.1Å; M282-W339 HydrophobicContact CE-CD2 4.19Å; M282-W339 HydrophobicContact CE-CG 3.66Å; M282-W339 HydrophobicContact SD-CB 3.63Å; M282-W339 HydrophobicContact SD-CD2 4.28Å; M282-W339 HydrophobicContact SD-CG 3.75Å; L299-W339 HydrophobicContact CD1-CZ2 3.9Å; L299-W339 VanDerWaalsContact CD1-NE1 3.31Å; V314-W339 HydrophobicContact CG1-CH2 4.44Å; V314-W339 HydrophobicContact CG1-CZ2 4.17Å; T318-W339 WeakPolarHBondContact OG1-CH2 3.49Å; L321-W339 HydrophobicContact CD1-CZ3 4.1Å; R335-W339 VanDerWaalsContact O-CB 3.28Å; R335-W339 WeakPolarHBondContact O-CB 3.24Å; R335-W339 PolarHBondContact O-N 3.42Å; F336-W339 AromaticContact CD2-CE3 3.54Å; F336-W339 HydrophobicContact CD2-CE3 3.54Å; F336-W339 AromaticContact CD2-CZ3 3.57Å; F336-W339 HydrophobicContact CD2-CZ3 3.57Å; F336-W339 AromaticContact CE2-CE3 3.91Å; F336-W339 HydrophobicContact CE2-CE3 3.91Å; F336-W339 AromaticContact CE2-CZ3 3.45Å; F336-W339 HydrophobicContact CE2-CZ3 3.45Å; F336-W339 VanDerWaalsContact CE2-CZ3 3.45Å; F336-W339 PolarHBondContact O-N 3Å; W339-F342 WeakPolarHBondContact O-CB 3.45Å; W339-F342 PolarHBondContact O-N 3.32Å; W339-H343 WeakPolarHBondContact O-CB 3.42Å; W339-H343 PolarHBondContact O-N 3.2Å
340F98.6Very high97.6Very high1 Ų133.9 Ų33.90%0.00417%0.166CC..Hα-helixtrans-72.6-38.4-172.7-168.2-129000111.8T318 F336 V337 F342 H343 L344 W351 W356 F371 L375T318-F340 HydrophobicContact CG2-CD1 4.5Å; T318-F340 HydrophobicContact CG2-CD2 4.06Å; T318-F340 HydrophobicContact CG2-CE1 4.15Å; T318-F340 HydrophobicContact CG2-CE2 3.68Å; T318-F340 HydrophobicContact CG2-CG 4.48Å; T318-F340 HydrophobicContact CG2-CZ 3.73Å; F336-F340 HydrophobicContact CD2-CB 3.95Å; F336-F340 HydrophobicContact CE2-CB 3.86Å; F336-F340 HydrophobicContact CE2-CD1 4.43Å; F336-F340 HydrophobicContact CE2-CG 4.08Å; F336-F340 WeakPolarHBondContact O-CB 3.31Å; F336-F340 PolarHBondContact O-N 3.13Å; V337-F340 PolarHBondContact O-N 2.75Å; F340-F342 VanDerWaalsContact C-N 3.32Å; F340-F342 PolarHBondContact O-N 3.33Å; F340-H343 HydrophobicContact CD2-CB 4.46Å; F340-H343 PolarHBondContact O-N 3.28Å; F340-L344 HydrophobicContact CD1-CD1 3.92Å; F340-L344 HydrophobicContact CD1-CG 4.39Å; F340-L344 HydrophobicContact CD2-CG 4.27Å; F340-L344 HydrophobicContact CE1-CD1 3.64Å; F340-L344 HydrophobicContact CE1-CD2 4.36Å; F340-L344 HydrophobicContact CE1-CG 4.1Å; F340-L344 HydrophobicContact CE2-CD1 4.43Å; F340-L344 HydrophobicContact CE2-CD2 4Å; F340-L344 HydrophobicContact CE2-CG 3.98Å; F340-L344 HydrophobicContact CG-CD1 4.41Å; F340-L344 HydrophobicContact CG-CG 4.45Å; F340-L344 HydrophobicContact CZ-CD1 3.92Å; F340-L344 HydrophobicContact CZ-CD2 3.78Å; F340-L344 HydrophobicContact CZ-CG 3.89Å; F340-L344 WeakPolarHBondContact O-CB 3.36Å; F340-L344 VanDerWaalsContact O-CG 3.26Å; F340-L344 WeakPolarHBondContact O-CG 3.42Å; F340-L344 PolarHBondContact O-N 3.49Å; F340-W351 HydrophobicContact CE1-CD2 4.46Å; F340-W351 HydrophobicContact CE2-CE3 4.23Å; F340-W351 HydrophobicContact CE2-CZ3 4.31Å; F340-W351 AromaticContact CZ-CD2 3.64Å; F340-W351 HydrophobicContact CZ-CD2 3.64Å; F340-W351 AromaticContact CZ-CE2 3.88Å; F340-W351 AromaticContact CZ-CE3 3.75Å; F340-W351 HydrophobicContact CZ-CE3 3.75Å; F340-W351 HydrophobicContact CZ-CG 4.11Å; F340-W351 HydrophobicContact CZ-CH2 4.34Å; F340-W351 HydrophobicContact CZ-CZ2 4.24Å; F340-W351 HydrophobicContact CZ-CZ3 4.1Å; F340-W356 HydrophobicContact CD1-CH2 4.07Å; F340-W356 HydrophobicContact CD1-CZ3 4.36Å; F340-W356 AromaticContact CE1-CH2 3.36Å; F340-W356 HydrophobicContact CE1-CH2 3.36Å; F340-W356 HydrophobicContact CE1-CZ2 4.5Å; F340-W356 AromaticContact CE1-CZ3 3.67Å; F340-W356 HydrophobicContact CE1-CZ3 3.67Å; F340-W356 HydrophobicContact CZ-CH2 4.02Å; F340-F371 HydrophobicContact CD1-CZ 4.29Å; F340-L375 HydrophobicContact CB-CD1 4.05Å; F340-L375 HydrophobicContact CD1-CD1 3.66Å; F340-L375 HydrophobicContact CD1-CD2 3.53Å; F340-L375 HydrophobicContact CD1-CG 4.25Å; F340-L375 HydrophobicContact CE1-CD2 3.77Å; F340-L375 HydrophobicContact CG-CD1 4.26Å
341A98.1Very high97.7Very high0 Ų035.3 Ų35.30%017%0.171CC..Hα-helixtrans-58.9-43.9170.300000111.9V337 S345 L375 R378 F382V337-A341 VanDerWaalsContact O-CB 3.27Å; V337-A341 WeakPolarHBondContact O-CB 3.4Å; V337-A341 PolarHBondContact O-N 3.02Å; A341-S345 WeakPolarHBondContact O-CB 3.41Å; A341-S345 PolarHBondContact O-N 3.08Å; A341-L375 HydrophobicContact CB-CD1 3.98Å; A341-R378 HydrophobicContact CB-CB 3.67Å; A341-R378 HydrophobicContact CB-CG 3.46Å; A341-R378 VanDerWaalsContact CB-CG 3.46Å; A341-F382 HydrophobicContact CB-CD2 4.07Å; A341-F382 HydrophobicContact CB-CE2 3.83Å
342F98.2Very high97.7Very high46 Ų4638.8 Ų38.820%0.20219%0.192CC..Hα-helixtrans-62.7-46.1175.4173.4-104.2000111.4L293 I300 N338 W339 F340 S345 N346 F382L293-F342 HydrophobicContact CD1-CD1 4.43Å; L293-F342 HydrophobicContact CD1-CD2 4.21Å; L293-F342 HydrophobicContact CD1-CE1 4.04Å; L293-F342 HydrophobicContact CD1-CE2 3.8Å; L293-F342 HydrophobicContact CD1-CG 4.5Å; L293-F342 HydrophobicContact CD1-CZ 3.71Å; I300-F342 HydrophobicContact CD1-CD1 4.34Å; I300-F342 HydrophobicContact CD1-CE1 3.57Å; I300-F342 HydrophobicContact CD1-CZ 4.05Å; N338-F342 WeakPolarHBondContact O-CB 3.34Å; N338-F342 PolarHBondContact O-N 2.8Å; N338-F342 VanDerWaalsContact O-N 3.12Å; W339-F342 WeakPolarHBondContact O-CB 3.45Å; W339-F342 PolarHBondContact O-N 3.32Å; F340-F342 VanDerWaalsContact C-N 3.32Å; F340-F342 PolarHBondContact O-N 3.33Å; F342-S345 PolarHBondContact O-N 3.16Å; F342-S345 PolarHBondContact O-OG 3.13Å; F342-N346 WeakPolarHBondContact CE2-ND2 3.27Å; F342-N346 PolarHBondContact O-N 3.31Å; F342-N346 PolarHBondContact O-ND2 2.98Å; F342-F382 HydrophobicContact CB-CE2 4.24Å
343H98.3Very high97.6Very high20 Ų2039.2 Ų39.29%0.09319%0.193CC..Hα-helixtrans-58-52.9177-172.486.4000110.9W339 F340 S345 N346 F347W339-H343 WeakPolarHBondContact O-CB 3.42Å; W339-H343 PolarHBondContact O-N 3.2Å; F340-H343 HydrophobicContact CD2-CB 4.46Å; F340-H343 PolarHBondContact O-N 3.28Å; H343-S345 VanDerWaalsContact C-N 3.32Å; H343-S345 PolarHBondContact O-N 2.88Å; H343-N346 WeakPolarHBondContact O-CB 3.36Å; H343-N346 PolarHBondContact O-N 3.42Å; H343-F347 AromaticContact CD2-CD2 3.79Å; H343-F347 AromaticContact CE1-CD2 3.78Å; H343-F347 AromaticContact CE1-CE2 3.33Å; H343-F347 WeakPolarHBondContact CE1-CE2 3.48Å; H343-F347 AromaticContact ND1-CE2 3.75Å; H343-F347 AromaticContact NE2-CD2 3.52Å; H343-F347 AromaticContact NE2-CE2 3.55Å; H343-F347 VanDerWaalsContact O-CD2 3.25Å; H343-F347 WeakPolarHBondContact O-CD2 3.48Å; H343-F347 PolarHBondContact O-N 2.85Å
344L98.2Very high97.6Very high2 Ų242.3 Ų42.31%0.0122%0.215CC..Hα-helixtrans-55.9-44.1178.2-73176.3000112.2F340 N346 F347 R348 Y349 W351 W353 L375F340-L344 HydrophobicContact CD1-CD1 3.92Å; F340-L344 HydrophobicContact CD1-CG 4.39Å; F340-L344 HydrophobicContact CD2-CG 4.27Å; F340-L344 HydrophobicContact CE1-CD1 3.64Å; F340-L344 HydrophobicContact CE1-CD2 4.36Å; F340-L344 HydrophobicContact CE1-CG 4.1Å; F340-L344 HydrophobicContact CE2-CD1 4.43Å; F340-L344 HydrophobicContact CE2-CD2 4Å; F340-L344 HydrophobicContact CE2-CG 3.98Å; F340-L344 HydrophobicContact CG-CD1 4.41Å; F340-L344 HydrophobicContact CG-CG 4.45Å; F340-L344 HydrophobicContact CZ-CD1 3.92Å; F340-L344 HydrophobicContact CZ-CD2 3.78Å; F340-L344 HydrophobicContact CZ-CG 3.89Å; F340-L344 WeakPolarHBondContact O-CB 3.36Å; F340-L344 VanDerWaalsContact O-CG 3.26Å; F340-L344 WeakPolarHBondContact O-CG 3.42Å; F340-L344 PolarHBondContact O-N 3.49Å; L344-N346 PolarHBondContact O-N 3.46Å; L344-N346 VanDerWaalsContact O-N 3.16Å; L344-F347 CarbonylContact O-C 3.47Å; L344-F347 VanDerWaalsContact O-C 3.29Å; L344-F347 PolarHBondContact O-N 2.83Å; L344-R348 PolarHBondContact O-N 3.01Å; L344-R348 VanDerWaalsContact O-N 3.15Å; L344-Y349 HydrophobicContact CB-CD1 3.88Å; L344-Y349 WeakPolarHBondContact O-CA 3.25Å; L344-Y349 PolarHBondContact O-N 3.46Å; L344-W351 HydrophobicContact CD2-CB 3.86Å; L344-W351 HydrophobicContact CD2-CG 4.48Å; L344-W353 HydrophobicContact CD1-CH2 3.7Å; L344-W353 HydrophobicContact CD1-CZ2 3.82Å; L344-L375 HydrophobicContact CD1-CD1 4.37Å; L344-L375 HydrophobicContact CD1-CD2 4.4Å
345S97.8Very high97.5Very high36 Ų3646 Ų4625%0.25224%0.235SC..Hα-helixtrans-58-31178.176.80000113.6A341 F342 H343 Y349A341-S345 WeakPolarHBondContact O-CB 3.41Å; A341-S345 PolarHBondContact O-N 3.08Å; F342-S345 PolarHBondContact O-N 3.16Å; F342-S345 PolarHBondContact O-OG 3.13Å; H343-S345 VanDerWaalsContact C-N 3.32Å; H343-S345 PolarHBondContact O-N 2.88Å; S345-Y349 WeakPolarHBondContact CB-OH 3.36Å
346N97.4Very high97.4Very high80 Ų8045.3 Ų45.343%0.42823%0.232SC..Hα-helixtrans-81.1-19.7177.4-76.6-87.6000113I300 F342 H343 L344I300-N346 HydrophobicContact CD1-CB 3.8Å; F342-N346 WeakPolarHBondContact CE2-ND2 3.27Å; F342-N346 PolarHBondContact O-N 3.31Å; F342-N346 PolarHBondContact O-ND2 2.98Å; H343-N346 WeakPolarHBondContact O-CB 3.36Å; H343-N346 PolarHBondContact O-N 3.42Å; L344-N346 PolarHBondContact O-N 3.46Å; L344-N346 VanDerWaalsContact O-N 3.16Å
347F96.6Very high97.3Very high79 Ų7947.2 Ų47.235%0.34624%0.243SC..THydrogen-bonded Turntrans-112.831.7177.6-63.6-76.3000112.6I300 C303 H343 L344 Y349 C350I300-F347 HydrophobicContact CG1-CE2 4.01Å; I300-F347 HydrophobicContact CG1-CZ 4.44Å; I300-F347 HydrophobicContact CG2-CZ 4.47Å; C303-F347 HydrophobicContact CB-CZ 4.23Å; H343-F347 AromaticContact CD2-CD2 3.79Å; H343-F347 AromaticContact CE1-CD2 3.78Å; H343-F347 AromaticContact CE1-CE2 3.33Å; H343-F347 WeakPolarHBondContact CE1-CE2 3.48Å; H343-F347 AromaticContact ND1-CE2 3.75Å; H343-F347 AromaticContact NE2-CD2 3.52Å; H343-F347 AromaticContact NE2-CE2 3.55Å; H343-F347 VanDerWaalsContact O-CD2 3.25Å; H343-F347 WeakPolarHBondContact O-CD2 3.48Å; H343-F347 PolarHBondContact O-N 2.85Å; L344-F347 CarbonylContact O-C 3.47Å; L344-F347 VanDerWaalsContact O-C 3.29Å; L344-F347 PolarHBondContact O-N 2.83Å; F347-Y349 PolarHBondContact O-N 3.18Å; F347-Y349 VanDerWaalsContact O-N 3.14Å; F347-C350 WeakPolarHBondContact O-CB 3.32Å; F347-C350 PolarHBondContact O-N 2.98Å; F347-C350 VanDerWaalsContact O-N 3.14Å
348R96.2Very high97.2Very high209 Ų20950 Ų5079%0.78926%0.263SS*.THydrogen-bonded Turntrans56.727.6175.8-52.8179.1-176.8171.61.1114.1L344 C350L344-R348 PolarHBondContact O-N 3.01Å; L344-R348 VanDerWaalsContact O-N 3.15Å; R348-C350 PolarHBondContact O-N 2.65Å
349Y96.8Very high97.1Very high6 Ų648 Ų482%0.02425%0.253CS..THydrogen-bonded Turntrans58.726.3-177.5-50-86.6000114.3L344 S345 F347 W351 W353 C379 F382 S383 I388 I391L344-Y349 HydrophobicContact CB-CD1 3.88Å; L344-Y349 WeakPolarHBondContact O-CA 3.25Å; L344-Y349 PolarHBondContact O-N 3.46Å; S345-Y349 WeakPolarHBondContact CB-OH 3.36Å; F347-Y349 PolarHBondContact O-N 3.18Å; F347-Y349 VanDerWaalsContact O-N 3.14Å; Y349-W351 PolarHBondContact O-N 3.37Å; Y349-W353 PolarHBondContact O-NE1 2.93Å; Y349-C379 HydrophobicContact CD1-CB 4.2Å; Y349-C379 HydrophobicContact CE1-CB 3.88Å; Y349-F382 PolarHBondContact OH-O 2.88Å; Y349-S383 WeakPolarHBondContact OH-CB 3.22Å; Y349-I388 HydrophobicContact CD1-CD1 4.07Å; Y349-I388 HydrophobicContact CD2-CD1 4.21Å; Y349-I388 HydrophobicContact CE1-CD1 3.95Å; Y349-I388 HydrophobicContact CE2-CD1 4.1Å; Y349-I388 HydrophobicContact CG-CD1 4.21Å; Y349-I391 HydrophobicContact CD1-CD1 4.42Å; Y349-I391 HydrophobicContact CD2-CD1 4.47Å; Y349-I391 HydrophobicContact CG-CD1 3.85Å
350C95.8Very high96.9Very high103 Ų10349 Ų4970%0.69626%0.261SS*.  trans-73.7112.3175.1-171.40000109.8F347 R348F347-C350 WeakPolarHBondContact O-CB 3.32Å; F347-C350 PolarHBondContact O-N 2.98Å; F347-C350 VanDerWaalsContact O-N 3.14Å; R348-C350 PolarHBondContact O-N 2.65Å
351W97.2Very high96.7Very high47 Ų4756 Ų5618%0.17830%0.298CS..  trans-148.8157.1175-173.5-114.3000109.7A315 T318 F340 L344 Y349 W353 W356A315-W351 HydrophobicContact CB-CH2 4.38Å; A315-W351 HydrophobicContact CB-CZ3 4.23Å; T318-W351 HydrophobicContact CG2-CH2 3.66Å; T318-W351 HydrophobicContact CG2-CZ2 3.81Å; T318-W351 HydrophobicContact CG2-CZ3 4.39Å; F340-W351 HydrophobicContact CE1-CD2 4.46Å; F340-W351 HydrophobicContact CE2-CE3 4.23Å; F340-W351 HydrophobicContact CE2-CZ3 4.31Å; F340-W351 AromaticContact CZ-CD2 3.64Å; F340-W351 HydrophobicContact CZ-CD2 3.64Å; F340-W351 AromaticContact CZ-CE2 3.88Å; F340-W351 AromaticContact CZ-CE3 3.75Å; F340-W351 HydrophobicContact CZ-CE3 3.75Å; F340-W351 HydrophobicContact CZ-CG 4.11Å; F340-W351 HydrophobicContact CZ-CH2 4.34Å; F340-W351 HydrophobicContact CZ-CZ2 4.24Å; F340-W351 HydrophobicContact CZ-CZ3 4.1Å; L344-W351 HydrophobicContact CD2-CB 3.86Å; L344-W351 HydrophobicContact CD2-CG 4.48Å; Y349-W351 PolarHBondContact O-N 3.37Å; W351-W353 HydrophobicContact CB-CD2 4.17Å; W351-W353 HydrophobicContact CB-CG 4.41Å; W351-W353 HydrophobicContact CB-CZ2 4.16Å; W351-W353 AromaticContact CD1-CE3 4Å; W351-W353 VanDerWaalsContact O-CD1 3.28Å; W351-W353 PolarHBondContact O-N 3.32Å; W351-W356 AromaticContact CE2-CH2 3.88Å; W351-W356 AromaticContact CE2-CZ2 3.62Å; W351-W356 HydrophobicContact CZ2-CH2 4.05Å; W351-W356 AromaticContact CZ2-CZ2 3.48Å; W351-W356 HydrophobicContact CZ2-CZ2 3.48Å; W351-W356 VanDerWaalsContact CZ2-CZ2 3.48Å; W351-W356 AromaticContact NE1-CD2 3.6Å; W351-W356 AromaticContact NE1-CE2 3.38Å; W351-W356 AromaticContact NE1-CE3 3.72Å; W351-W356 AromaticContact NE1-CH2 3.5Å; W351-W356 AromaticContact NE1-CZ2 3.35Å; W351-W356 VanDerWaalsContact NE1-CZ2 3.35Å; W351-W356 AromaticContact NE1-CZ3 3.67Å
352T96.5Very high96.5Very high75 Ų7559.1 Ų59.146%0.4631%0.313SS..  trans-79.261.717350.70000110.7P354 D355T352-P354 VanDerWaalsContact C-N 3.26Å; T352-P354 VanDerWaalsContact O-N 3.11Å; T352-D355 WeakPolarHBondContact CB-OD2 2.96Å; T352-D355 WeakPolarHBondContact O-CB 3.43Å; T352-D355 PolarHBondContact O-N 2.87Å; T352-D355 PolarHBondContact OG1-OD2 3.36Å
353W97Very high96.1Very high9 Ų963.9 Ų63.93%0.03434%0.336CS..G310 helixtrans-47.7-36178.6-61.7109.7000115.5L344 Y349 W351 D355 W356 L375 L376 L392 P393 L396L344-W353 HydrophobicContact CD1-CH2 3.7Å; L344-W353 HydrophobicContact CD1-CZ2 3.82Å; Y349-W353 PolarHBondContact O-NE1 2.93Å; W351-W353 HydrophobicContact CB-CD2 4.17Å; W351-W353 HydrophobicContact CB-CG 4.41Å; W351-W353 HydrophobicContact CB-CZ2 4.16Å; W351-W353 AromaticContact CD1-CE3 4Å; W351-W353 VanDerWaalsContact O-CD1 3.28Å; W351-W353 PolarHBondContact O-N 3.32Å; W353-D355 PolarHBondContact O-N 2.97Å; W353-W356 HydrophobicContact CE3-CE3 4.49Å; W353-W356 HydrophobicContact CZ3-CE3 4.38Å; W353-W356 HydrophobicContact CZ3-CZ3 4.43Å; W353-W356 PolarHBondContact O-N 3.05Å; W353-W356 VanDerWaalsContact O-N 3.1Å; W353-L375 HydrophobicContact CH2-CD2 4.01Å; W353-L375 HydrophobicContact CZ3-CD2 4.01Å; W353-L376 HydrophobicContact CH2-CD2 3.98Å; W353-L376 HydrophobicContact CZ3-CD2 4Å; W353-L392 HydrophobicContact CD2-CD2 3.79Å; W353-L392 HydrophobicContact CE3-CD2 3.98Å; W353-L392 HydrophobicContact CG-CD2 4.14Å; W353-L392 HydrophobicContact CZ2-CD2 4.45Å; W353-L392 HydrophobicContact CZ3-CD2 4.38Å; W353-P393 HydrophobicContact CB-CG 3.98Å; W353-L396 HydrophobicContact CB-CD1 4.07Å; W353-L396 HydrophobicContact CE3-CD1 4.09Å
354P96.8Very high95.6Very high83 Ų8366.9 Ų66.954%0.53936%0.357SS..G310 helixtrans-56.8-27175.3-28.238000114.7T352 W356 T357T352-P354 VanDerWaalsContact C-N 3.26Å; T352-P354 VanDerWaalsContact O-N 3.11Å; P354-W356 PolarHBondContact O-N 3.48Å; P354-T357 PolarHBondContact O-N 3.38Å; P354-T357 PolarHBondContact O-OG1 3.04Å; P354-T357 VanDerWaalsContact O-OG1 3.12Å
355D96.3Very high95.2Very high100 Ų10071.6 Ų71.654%0.53538%0.375SS..G310 helixtrans-68.7-18.4-179.7-61.4-21000112.2T352 W353T352-D355 WeakPolarHBondContact CB-OD2 2.96Å; T352-D355 WeakPolarHBondContact O-CB 3.43Å; T352-D355 PolarHBondContact O-N 2.87Å; T352-D355 PolarHBondContact OG1-OD2 3.36Å; W353-D355 PolarHBondContact O-N 2.97Å
356W96.9Very high95Very high0 Ų070 Ų700%037%0.365CS..G310 helixtrans-107.82.6-175.5-65.8-3.3000113.6T318 E319 F322 F340 W351 W353 P354 S358 C359 F371 V372 L375T318-W356 HydrophobicContact CG2-CH2 4.09Å; T318-W356 HydrophobicContact CG2-CZ2 4.08Å; E319-W356 PolarHBondContact OE2-NE1 3.3Å; F322-W356 HydrophobicContact CB-CZ2 3.96Å; F322-W356 AromaticContact CD1-CD1 3.81Å; F322-W356 HydrophobicContact CD1-CD2 4.4Å; F322-W356 AromaticContact CD1-CE2 3.89Å; F322-W356 HydrophobicContact CD1-CG 4.36Å; F322-W356 HydrophobicContact CD1-CZ2 4.41Å; F322-W356 AromaticContact CD1-NE1 3.53Å; F322-W356 HydrophobicContact CD2-CD2 4.15Å; F322-W356 AromaticContact CD2-CE2 3.93Å; F322-W356 HydrophobicContact CD2-CE3 4.4Å; F322-W356 HydrophobicContact CD2-CH2 4.22Å; F322-W356 AromaticContact CD2-CZ2 3.98Å; F322-W356 HydrophobicContact CD2-CZ2 3.98Å; F322-W356 HydrophobicContact CD2-CZ3 4.44Å; F322-W356 HydrophobicContact CE1-CB 4.43Å; F322-W356 AromaticContact CE1-CD1 3.54Å; F322-W356 HydrophobicContact CE1-CD2 4.23Å; F322-W356 AromaticContact CE1-CG 3.85Å; F322-W356 HydrophobicContact CE1-CG 3.85Å; F322-W356 AromaticContact CE1-NE1 3.78Å; F322-W356 AromaticContact CE2-CD2 3.97Å; F322-W356 HydrophobicContact CE2-CD2 3.97Å; F322-W356 HydrophobicContact CE2-CE3 4.19Å; F322-W356 HydrophobicContact CE2-CG 4.24Å; F322-W356 HydrophobicContact CG-CD2 4.36Å; F322-W356 AromaticContact CG-CE2 3.76Å; F322-W356 AromaticContact CG-CZ2 3.86Å; F322-W356 HydrophobicContact CG-CZ2 3.86Å; F322-W356 AromaticContact CG-NE1 3.88Å; F322-W356 HydrophobicContact CZ-CB 4.1Å; F322-W356 AromaticContact CZ-CD1 3.97Å; F322-W356 HydrophobicContact CZ-CD2 4.01Å; F322-W356 AromaticContact CZ-CG 3.78Å; F322-W356 HydrophobicContact CZ-CG 3.78Å; F340-W356 HydrophobicContact CD1-CH2 4.07Å; F340-W356 HydrophobicContact CD1-CZ3 4.36Å; F340-W356 AromaticContact CE1-CH2 3.36Å; F340-W356 HydrophobicContact CE1-CH2 3.36Å; F340-W356 HydrophobicContact CE1-CZ2 4.5Å; F340-W356 AromaticContact CE1-CZ3 3.67Å; F340-W356 HydrophobicContact CE1-CZ3 3.67Å; F340-W356 HydrophobicContact CZ-CH2 4.02Å; W351-W356 AromaticContact CE2-CH2 3.88Å; W351-W356 AromaticContact CE2-CZ2 3.62Å; W351-W356 HydrophobicContact CZ2-CH2 4.05Å; W351-W356 AromaticContact CZ2-CZ2 3.48Å; W351-W356 HydrophobicContact CZ2-CZ2 3.48Å; W351-W356 VanDerWaalsContact CZ2-CZ2 3.48Å; W351-W356 AromaticContact NE1-CD2 3.6Å; W351-W356 AromaticContact NE1-CE2 3.38Å; W351-W356 AromaticContact NE1-CE3 3.72Å; W351-W356 AromaticContact NE1-CH2 3.5Å; W351-W356 AromaticContact NE1-CZ2 3.35Å; W351-W356 VanDerWaalsContact NE1-CZ2 3.35Å; W351-W356 AromaticContact NE1-CZ3 3.67Å; W353-W356 HydrophobicContact CE3-CE3 4.49Å; W353-W356 HydrophobicContact CZ3-CE3 4.38Å; W353-W356 HydrophobicContact CZ3-CZ3 4.43Å; W353-W356 PolarHBondContact O-N 3.05Å; W353-W356 VanDerWaalsContact O-N 3.1Å; P354-W356 PolarHBondContact O-N 3.48Å; W356-S358 PolarHBondContact O-N 3.44Å; W356-C359 PolarHBondContact O-N 3.46Å; W356-C359 PolarHBondContact O-SG 3.14Å; W356-F371 AromaticContact CH2-CE1 3.98Å; W356-F371 HydrophobicContact CH2-CE1 3.98Å; W356-F371 AromaticContact CZ3-CE1 3.89Å; W356-F371 HydrophobicContact CZ3-CE1 3.89Å; W356-V372 HydrophobicContact CE3-CG2 4.09Å; W356-L375 HydrophobicContact CZ3-CD2 3.8Å
357T96.6Very high94.9Very high39 Ų3967.1 Ų67.124%0.23935%0.35CS..G310 helixtrans-63.4-24.3-179.858.20000112.9P354 C359 C360 P393 E395 L396P354-T357 PolarHBondContact O-N 3.38Å; P354-T357 PolarHBondContact O-OG1 3.04Å; P354-T357 VanDerWaalsContact O-OG1 3.12Å; T357-C359 PolarHBondContact O-N 3.27Å; T357-C359 VanDerWaalsContact O-N 3.09Å; T357-C360 WeakPolarHBondContact O-CB 3.43Å; T357-C360 PolarHBondContact O-N 3.29Å; T357-P393 HydrophobicContact CG2-CG 4.11Å; T357-E395 HydrophobicContact CG2-CB 4Å; T357-E395 HydrophobicContact CG2-CG 4.47Å; T357-L396 HydrophobicContact CG2-CD2 4.47Å; T357-L396 HydrophobicContact CG2-CG 4.18Å
358S95.2Very high94.9Very high62 Ų6264.4 Ų64.443%0.43434%0.339SS..G310 helixtrans-62.7-15.7177.562.10000113.9W356 C360 D361W356-S358 PolarHBondContact O-N 3.44Å; S358-C360 PolarHBondContact O-N 3.45Å; S358-D361 PolarHBondContact O-N 3.37Å
359C95.9Very high94.9Very high0 Ų055.7 Ų55.70%031%0.307CS..G310 helixtrans-69.9-22.9174.976.30000112.5W356 T357 D361 Q362 Q368W356-C359 PolarHBondContact O-N 3.46Å; W356-C359 PolarHBondContact O-SG 3.14Å; T357-C359 PolarHBondContact O-N 3.27Å; T357-C359 VanDerWaalsContact O-N 3.09Å; C359-D361 PolarHBondContact O-N 2.99Å; C359-Q362 WeakPolarHBondContact O-CB 3.4Å; C359-Q362 PolarHBondContact O-N 3.5Å; C359-Q368 HydrophobicContact CB-CB 3.85Å
360C94.6Very high94.9Very high32 Ų3256.8 Ų56.822%0.21632%0.316CS..G310 helixtrans-66.4-24177.6-640000113.2T357 S358 Q362 H398T357-C360 WeakPolarHBondContact O-CB 3.43Å; T357-C360 PolarHBondContact O-N 3.29Å; S358-C360 PolarHBondContact O-N 3.45Å; C360-Q362 VanDerWaalsContact C-N 3.31Å; C360-H398 VanDerWaalsContact SG-CE1 3.56Å
361D94.2Very high95Very high148 Ų14852 Ų5279%0.79128%0.283SS*.G310 helixtrans-88.2-1178.9-58.5-44.7000112.7S358 C359S358-D361 PolarHBondContact O-N 3.37Å; C359-D361 PolarHBondContact O-N 2.99Å
362Q93.6Very high95Very high65 Ų6549.7 Ų49.730%0.30428%0.275SS..SBendtrans-86161.7-178.7-61.9-179.57.700111.9C359 C360 S366C359-Q362 WeakPolarHBondContact O-CB 3.4Å; C359-Q362 PolarHBondContact O-N 3.5Å; C360-Q362 VanDerWaalsContact C-N 3.31Å; Q362-S366 VanDerWaalsContact CB-OG 3.22Å; Q362-S366 WeakPolarHBondContact CB-OG 3.36Å; Q362-S366 PolarHBondContact OE1-OG 2.9Å
363E90.3Very high95Very high147 Ų14748 Ų4869%0.68726%0.264SS*.PPolyproline II helixtrans-56.2151175.8-69.6-67.3159.200112.1Y365 S366E363-Y365 PolarHBondContact O-N 3.48Å; E363-S366 WeakPolarHBondContact O-CB 3.35Å; E363-S366 PolarHBondContact O-N 2.76Å; E363-S366 PolarHBondContact O-OG 2.93Å
364P87.4Confident95Very high83 Ų8348.9 Ų48.954%0.53927%0.269SS..THydrogen-bonded Turntrans-51.7138.4172.7-26.335000111.8S366P364-S366 PolarHBondContact O-N 3.09Å
365Y89.2Confident95Very high100 Ų10044.9 Ų44.939%0.39224%0.243SC..THydrogen-bonded Turntrans65.69.3-178-40.9-62.5000115.5E363 S370 L552 D642 W643E363-Y365 PolarHBondContact O-N 3.48Å; Y365-S370 VanDerWaalsContact C-OG 3.28Å; Y365-S370 WeakPolarHBondContact CA-OG 3.2Å; Y365-S370 PolarHBondContact O-OG 3.26Å; Y365-L552 HydrophobicContact CD1-CD1 3.33Å; Y365-L552 HydrophobicContact CD2-CD1 4.08Å; Y365-L552 HydrophobicContact CE1-CD1 3.58Å; Y365-L552 HydrophobicContact CE2-CD1 4.28Å; Y365-L552 HydrophobicContact CG-CD1 3.59Å; Y365-D642 VanDerWaalsContact O-CB 3.32Å; Y365-D642 WeakPolarHBondContact O-CB 3.49Å; Y365-W643 HydrophobicContact CD2-CB 4.42Å
366S94.2Very high95Very high4 Ų440.2 Ų40.23%0.02822%0.218CC..  trans-52.1145.9168.460.70000110.6Q362 E363 P364 Q368 L369 S370 D642Q362-S366 VanDerWaalsContact CB-OG 3.22Å; Q362-S366 WeakPolarHBondContact CB-OG 3.36Å; Q362-S366 PolarHBondContact OE1-OG 2.9Å; E363-S366 WeakPolarHBondContact O-CB 3.35Å; E363-S366 PolarHBondContact O-N 2.76Å; E363-S366 PolarHBondContact O-OG 2.93Å; P364-S366 PolarHBondContact O-N 3.09Å; S366-Q368 VanDerWaalsContact C-N 3.3Å; S366-Q368 PolarHBondContact O-N 3.2Å; S366-L369 PolarHBondContact O-N 2.92Å; S366-L369 WeakPolarHBondContact OG-CB 3.04Å; S366-S370 WeakPolarHBondContact O-CB 3.29Å; S366-S370 PolarHBondContact O-N 3.32Å; S366-S370 PolarHBondContact O-OG 3.44Å; S366-D642 WeakPolarHBondContact CA-OD2 3.42Å
367P95.4Very high94.9Very high18 Ų1840.9 Ų40.912%0.11722%0.222CC..Hα-helixtrans-58.9-40.8-170.7-3.30.9000113L325 F371L325-P367 HydrophobicContact CB-CB 3.72Å; P367-F371 VanDerWaalsContact O-CB 3.23Å; P367-F371 WeakPolarHBondContact O-CB 3.26Å; P367-F371 PolarHBondContact O-N 3.03Å
368Q97.3Very high94.9Very high23 Ų2340.9 Ų40.911%0.10722%0.218CC..Hα-helixtrans-71.6-44.9-179-72.7178.2-2200111.6F322 L325 C359 S366 S370 F371 V372F322-Q368 HydrophobicContact CD1-CG 4.47Å; F322-Q368 HydrophobicContact CD2-CG 4.45Å; F322-Q368 HydrophobicContact CE1-CB 4.41Å; F322-Q368 HydrophobicContact CE1-CG 3.95Å; F322-Q368 HydrophobicContact CE2-CB 3.94Å; F322-Q368 HydrophobicContact CE2-CG 3.92Å; F322-Q368 HydrophobicContact CZ-CB 3.68Å; F322-Q368 HydrophobicContact CZ-CG 3.66Å; F322-Q368 PolarHBondContact O-NE2 3.45Å; L325-Q368 HydrophobicContact CD1-CG 4.07Å; C359-Q368 HydrophobicContact CB-CB 3.85Å; S366-Q368 VanDerWaalsContact C-N 3.3Å; S366-Q368 PolarHBondContact O-N 3.2Å; Q368-S370 VanDerWaalsContact C-N 3.34Å; Q368-S370 PolarHBondContact O-N 2.67Å; Q368-F371 PolarHBondContact O-N 3.35Å; Q368-V372 WeakPolarHBondContact O-CG2 3.24Å; Q368-V372 PolarHBondContact O-N 3.05Å
369L96.5Very high94.9Very high25 Ų2538 Ų3813%0.13120%0.198CC..Hα-helixtrans-60.1-45.9176-178.962.1000111.4S366 V372 T373 L399S366-L369 PolarHBondContact O-N 2.92Å; S366-L369 WeakPolarHBondContact OG-CB 3.04Å; L369-V372 PolarHBondContact O-N 2.93Å; L369-T373 WeakPolarHBondContact O-CB 3.41Å; L369-T373 PolarHBondContact O-N 2.94Å; L369-T373 PolarHBondContact O-OG1 3.47Å; L369-L399 HydrophobicContact CD1-CD1 3.8Å; L369-L399 HydrophobicContact CD1-CD2 3.5Å; L369-L399 HydrophobicContact CD1-CG 4.32Å
370S95.7Very high94.9Very high30 Ų3038.9 Ų38.921%0.2120%0.202CC..Hα-helixtrans-62.7-45.9178-54.20000110.9Y365 S366 Q368 V372 T373 E374Y365-S370 VanDerWaalsContact C-OG 3.28Å; Y365-S370 WeakPolarHBondContact CA-OG 3.2Å; Y365-S370 PolarHBondContact O-OG 3.26Å; S366-S370 WeakPolarHBondContact O-CB 3.29Å; S366-S370 PolarHBondContact O-N 3.32Å; S366-S370 PolarHBondContact O-OG 3.44Å; Q368-S370 VanDerWaalsContact C-N 3.34Å; Q368-S370 PolarHBondContact O-N 2.67Å; S370-V372 PolarHBondContact O-N 2.9Å; S370-T373 PolarHBondContact O-N 3.1Å; S370-E374 WeakPolarHBondContact O-CG 3.34Å; S370-E374 PolarHBondContact O-N 2.75Å
371F97.8Very high94.8Very high1 Ų139.4 Ų39.40%0.00421%0.206CC..Hα-helixtrans-58.9-47.8177.1173.1-95.3000112.4F322 L325 I333 F336 V337 F340 W356 P367 Q368 T373 E374 L375F322-F371 AromaticContact CD2-CD1 3.7Å; F322-F371 HydrophobicContact CD2-CD1 3.7Å; F322-F371 AromaticContact CD2-CE1 3.93Å; F322-F371 HydrophobicContact CD2-CE1 3.93Å; F322-F371 AromaticContact CE2-CD1 3.86Å; F322-F371 HydrophobicContact CE2-CD1 3.86Å; F322-F371 HydrophobicContact CE2-CE1 4.4Å; L325-F371 HydrophobicContact CD1-CB 3.49Å; L325-F371 VanDerWaalsContact CD1-CB 3.49Å; L325-F371 HydrophobicContact CD1-CD1 3.98Å; L325-F371 HydrophobicContact CD1-CD2 4.19Å; L325-F371 HydrophobicContact CD1-CG 3.62Å; L325-F371 HydrophobicContact CD2-CB 4.45Å; L325-F371 HydrophobicContact CD2-CD2 4.12Å; L325-F371 HydrophobicContact CD2-CG 4.36Å; I333-F371 HydrophobicContact CG2-CD2 4.19Å; F336-F371 HydrophobicContact CB-CE2 4.03Å; F336-F371 HydrophobicContact CD1-CD2 4.03Å; F336-F371 AromaticContact CD1-CE2 3.3Å; F336-F371 HydrophobicContact CD1-CE2 3.3Å; F336-F371 AromaticContact CD1-CZ 3.68Å; F336-F371 HydrophobicContact CD1-CZ 3.68Å; F336-F371 AromaticContact CD2-CE2 3.94Å; F336-F371 HydrophobicContact CD2-CE2 3.94Å; F336-F371 AromaticContact CD2-CZ 3.91Å; F336-F371 HydrophobicContact CD2-CZ 3.91Å; F336-F371 HydrophobicContact CE1-CD2 4.36Å; F336-F371 HydrophobicContact CE1-CE1 4.16Å; F336-F371 AromaticContact CE1-CE2 3.6Å; F336-F371 HydrophobicContact CE1-CE2 3.6Å; F336-F371 AromaticContact CE1-CZ 3.47Å; F336-F371 HydrophobicContact CE1-CZ 3.47Å; F336-F371 VanDerWaalsContact CE1-CZ 3.47Å; F336-F371 HydrophobicContact CE2-CE2 4.2Å; F336-F371 AromaticContact CE2-CZ 3.72Å; F336-F371 HydrophobicContact CE2-CZ 3.72Å; F336-F371 HydrophobicContact CG-CD2 4.49Å; F336-F371 AromaticContact CG-CE2 3.49Å; F336-F371 HydrophobicContact CG-CE2 3.49Å; F336-F371 VanDerWaalsContact CG-CE2 3.49Å; F336-F371 AromaticContact CG-CZ 3.9Å; F336-F371 HydrophobicContact CG-CZ 3.9Å; F336-F371 HydrophobicContact CZ-CE1 4.2Å; F336-F371 HydrophobicContact CZ-CE2 4.06Å; F336-F371 AromaticContact CZ-CZ 3.51Å; F336-F371 HydrophobicContact CZ-CZ 3.51Å; V337-F371 HydrophobicContact CG2-CD2 3.54Å; V337-F371 HydrophobicContact CG2-CE2 3.66Å; V337-F371 HydrophobicContact CG2-CG 4.48Å; F340-F371 HydrophobicContact CD1-CZ 4.29Å; W356-F371 AromaticContact CH2-CE1 3.98Å; W356-F371 HydrophobicContact CH2-CE1 3.98Å; W356-F371 AromaticContact CZ3-CE1 3.89Å; W356-F371 HydrophobicContact CZ3-CE1 3.89Å; P367-F371 VanDerWaalsContact O-CB 3.23Å; P367-F371 WeakPolarHBondContact O-CB 3.26Å; P367-F371 PolarHBondContact O-N 3.03Å; Q368-F371 PolarHBondContact O-N 3.35Å; F371-T373 VanDerWaalsContact C-N 3.34Å; F371-T373 PolarHBondContact O-N 2.87Å; F371-E374 PolarHBondContact O-N 3.49Å; F371-L375 HydrophobicContact CE1-CD2 3.97Å; F371-L375 HydrophobicContact CZ-CD2 4.33Å; F371-L375 WeakPolarHBondContact O-CB 3.41Å; F371-L375 PolarHBondContact O-N 2.72Å
372V97.8Very high94.8Very high0 Ų037.1 Ų37.10%019%0.189CC..Hα-helixtrans-63.7-42.8179.3175.20000110.5F322 W356 Q368 L369 S370 E374 L375 L376 L396 L399F322-V372 HydrophobicContact CE2-CG2 3.88Å; F322-V372 HydrophobicContact CZ-CG2 4.34Å; W356-V372 HydrophobicContact CE3-CG2 4.09Å; Q368-V372 WeakPolarHBondContact O-CG2 3.24Å; Q368-V372 PolarHBondContact O-N 3.05Å; L369-V372 PolarHBondContact O-N 2.93Å; S370-V372 PolarHBondContact O-N 2.9Å; V372-E374 PolarHBondContact O-N 3.36Å; V372-L375 PolarHBondContact O-N 2.84Å; V372-L376 HydrophobicContact CG1-CD1 4.01Å; V372-L376 HydrophobicContact CG1-CG 4.18Å; V372-L376 WeakPolarHBondContact O-CB 3.46Å; V372-L376 VanDerWaalsContact O-CG 3.25Å; V372-L376 WeakPolarHBondContact O-CG 3.48Å; V372-L376 PolarHBondContact O-N 3.41Å; V372-L396 HydrophobicContact CG1-CD2 4.32Å; V372-L399 HydrophobicContact CB-CD1 4.33Å; V372-L399 HydrophobicContact CG1-CD1 3.81Å
373T96Very high94.8Very high39 Ų3935.4 Ų35.424%0.23918%0.184CC..Hα-helixtrans-58.1-49.6177.6-560000111.5L369 S370 F371 L376 S377L369-T373 WeakPolarHBondContact O-CB 3.41Å; L369-T373 PolarHBondContact O-N 2.94Å; L369-T373 PolarHBondContact O-OG1 3.47Å; S370-T373 PolarHBondContact O-N 3.1Å; F371-T373 VanDerWaalsContact C-N 3.34Å; F371-T373 PolarHBondContact O-N 2.87Å; T373-L376 PolarHBondContact O-N 3.41Å; T373-S377 PolarHBondContact O-N 2.8Å
374E96.9Very high94.9Very high27 Ų2734.8 Ų34.813%0.12618%0.177CC..Hα-helixtrans-67.1-39.3178.5-65.6-60.6154.900112.3V337 S370 F371 V372 L376 S377 R378 K553 Q554V337-E374 HydrophobicContact CG1-CB 4.11Å; V337-E374 HydrophobicContact CG2-CB 3.98Å; S370-E374 WeakPolarHBondContact O-CG 3.34Å; S370-E374 PolarHBondContact O-N 2.75Å; F371-E374 PolarHBondContact O-N 3.49Å; V372-E374 PolarHBondContact O-N 3.36Å; E374-L376 VanDerWaalsContact C-N 3.35Å; E374-L376 PolarHBondContact O-N 3.44Å; E374-S377 PolarHBondContact O-N 2.93Å; E374-R378 WeakPolarHBondContact O-CB 3.5Å; E374-R378 PolarHBondContact O-N 2.84Å; E374-K553 WeakPolarHBondContact OE1-CA 3.34Å; E374-K553 WeakPolarHBondContact OE1-CB 3.38Å; E374-Q554 HydrophobicContact CG-CB 4.38Å; E374-Q554 PolarHBondContact OE1-N 3.38Å; E374-Q554 WeakPolarHBondContact OE2-CB 3.46Å; E374-Q554 PolarHBondContact OE2-N 3.1Å
375L97.7Very high95.2Very high0 Ų032.2 Ų32.20%016%0.157CC..Hα-helixtrans-59-45.2174.8177.868.2000111.7F340 A341 L344 W353 W356 F371 V372 R378 C379F340-L375 HydrophobicContact CB-CD1 4.05Å; F340-L375 HydrophobicContact CD1-CD1 3.66Å; F340-L375 HydrophobicContact CD1-CD2 3.53Å; F340-L375 HydrophobicContact CD1-CG 4.25Å; F340-L375 HydrophobicContact CE1-CD2 3.77Å; F340-L375 HydrophobicContact CG-CD1 4.26Å; A341-L375 HydrophobicContact CB-CD1 3.98Å; L344-L375 HydrophobicContact CD1-CD1 4.37Å; L344-L375 HydrophobicContact CD1-CD2 4.4Å; W353-L375 HydrophobicContact CH2-CD2 4.01Å; W353-L375 HydrophobicContact CZ3-CD2 4.01Å; W356-L375 HydrophobicContact CZ3-CD2 3.8Å; F371-L375 HydrophobicContact CE1-CD2 3.97Å; F371-L375 HydrophobicContact CZ-CD2 4.33Å; F371-L375 WeakPolarHBondContact O-CB 3.41Å; F371-L375 PolarHBondContact O-N 2.72Å; V372-L375 PolarHBondContact O-N 2.84Å; L375-R378 PolarHBondContact O-N 2.93Å; L375-C379 WeakPolarHBondContact O-CB 3.26Å; L375-C379 PolarHBondContact O-N 3.44Å; L375-C379 PolarHBondContact O-SG 3.08Å
376L96.5Very high95.5Very high1 Ų132.5 Ų32.51%0.00516%0.162CC..Hα-helixtrans-68.1-40.2178.7-68-176.4000111.6W353 V372 T373 E374 R378 C379 Q380 I388 L392 L399 L400W353-L376 HydrophobicContact CH2-CD2 3.98Å; W353-L376 HydrophobicContact CZ3-CD2 4Å; V372-L376 HydrophobicContact CG1-CD1 4.01Å; V372-L376 HydrophobicContact CG1-CG 4.18Å; V372-L376 WeakPolarHBondContact O-CB 3.46Å; V372-L376 VanDerWaalsContact O-CG 3.25Å; V372-L376 WeakPolarHBondContact O-CG 3.48Å; V372-L376 PolarHBondContact O-N 3.41Å; T373-L376 PolarHBondContact O-N 3.41Å; E374-L376 VanDerWaalsContact C-N 3.35Å; E374-L376 PolarHBondContact O-N 3.44Å; L376-R378 VanDerWaalsContact C-N 3.3Å; L376-R378 PolarHBondContact O-N 2.73Å; L376-C379 PolarHBondContact O-N 3.3Å; L376-Q380 WeakPolarHBondContact O-CB 3.31Å; L376-Q380 PolarHBondContact O-N 2.59Å; L376-I388 HydrophobicContact CD2-CG2 4.47Å; L376-L392 HydrophobicContact CD1-CD1 3.89Å; L376-L392 HydrophobicContact CD2-CD1 3.92Å; L376-L392 HydrophobicContact CD2-CD2 3.75Å; L376-L392 HydrophobicContact CD2-CG 4.4Å; L376-L399 HydrophobicContact CD1-CB 3.97Å; L376-L400 HydrophobicContact CB-CD1 3.93Å
377S94.7Very high95.5Very high14 Ų1436.3 Ų36.310%0.09818%0.176CC..Hα-helixtrans-58.1-43.5172.1-175.20000111.7T373 E374 Q380 S381 E517T373-S377 PolarHBondContact O-N 2.8Å; E374-S377 PolarHBondContact O-N 2.93Å; S377-Q380 PolarHBondContact O-N 2.89Å; S377-S381 PolarHBondContact O-N 2.63Å; S377-S381 PolarHBondContact O-OG 3.11Å; S377-E517 PolarHBondContact OG-OE2 2.95Å
378R95.9Very high95.6Very high40 Ų4035.4 Ų35.415%0.15117%0.17CC..Hα-helixtrans-67.8-41.1176.8-162.263.655.51647.1112.6V337 N338 A341 E374 L375 L376 Q380 S381 F382 Q554 E558V337-R378 HydrophobicContact CG1-CB 4.12Å; N338-R378 PolarHBondContact OD1-NE 3.4Å; A341-R378 HydrophobicContact CB-CB 3.67Å; A341-R378 HydrophobicContact CB-CG 3.46Å; A341-R378 VanDerWaalsContact CB-CG 3.46Å; E374-R378 WeakPolarHBondContact O-CB 3.5Å; E374-R378 PolarHBondContact O-N 2.84Å; L375-R378 PolarHBondContact O-N 2.93Å; L376-R378 VanDerWaalsContact C-N 3.3Å; L376-R378 PolarHBondContact O-N 2.73Å; R378-Q380 VanDerWaalsContact C-N 3.33Å; R378-Q380 PolarHBondContact O-N 3.37Å; R378-S381 WeakPolarHBondContact O-CB 3.36Å; R378-S381 PolarHBondContact O-N 3.08Å; R378-S381 VanDerWaalsContact O-N 3.14Å; R378-F382 HydrophobicContact CG-CD2 4.48Å; R378-F382 HydrophobicContact CG-CE2 3.88Å; R378-F382 HydrophobicContact CG-CZ 3.98Å; R378-F382 PolarHBondContact O-N 2.94Å; R378-F382 VanDerWaalsContact O-N 3.09Å; R378-Q554 VanDerWaalsContact NH2-CD 3.27Å; R378-E558 IonicContact CZ-OE1 2.78Å; R378-E558 VanDerWaalsContact CZ-OE1 3.25Å; R378-E558 IonicContact NH1-OE1 3.96Å; R378-E558 PolarHBondContact NH1-OE1 2.81Å; R378-E558 IonicContact NH1-OE2 3.36Å; R378-E558 IonicContact NH2-OE1 2.72Å; R378-E558 PolarHBondContact NH2-OE1 2.85Å; R378-E558 IonicContact NH2-OE2 3.9Å
379C96.2Very high95.5Very high1 Ų137 Ų371%0.00718%0.179CC..Hα-helixtrans-61-42.1175.2-71.60000111.8Y349 L375 L376 S381 F382 S383 I388Y349-C379 HydrophobicContact CD1-CB 4.2Å; Y349-C379 HydrophobicContact CE1-CB 3.88Å; L375-C379 WeakPolarHBondContact O-CB 3.26Å; L375-C379 PolarHBondContact O-N 3.44Å; L375-C379 PolarHBondContact O-SG 3.08Å; L376-C379 PolarHBondContact O-N 3.3Å; C379-S381 VanDerWaalsContact C-N 3.32Å; C379-S381 PolarHBondContact O-N 2.72Å; C379-F382 PolarHBondContact O-N 3.31Å; C379-S383 VanDerWaalsContact O-CB 3.28Å; C379-S383 WeakPolarHBondContact O-CB 3.23Å; C379-S383 PolarHBondContact O-N 3.1Å; C379-I388 HydrophobicContact CB-CD1 4.09Å
380Q94.2Very high95.4Very high19 Ų1943 Ų439%0.08921%0.207CC..Hα-helixtrans-62.1-39.8173.5179.2171.3-34.400111.4L376 S377 R378 F382 S383 H385 I388 L400 P401L376-Q380 WeakPolarHBondContact O-CB 3.31Å; L376-Q380 PolarHBondContact O-N 2.59Å; S377-Q380 PolarHBondContact O-N 2.89Å; R378-Q380 VanDerWaalsContact C-N 3.33Å; R378-Q380 PolarHBondContact O-N 3.37Å; Q380-F382 VanDerWaalsContact C-N 3.26Å; Q380-F382 PolarHBondContact O-N 3.29Å; Q380-S383 CarbonylContact O-C 3.55Å; Q380-S383 PolarHBondContact O-N 3.22Å; Q380-H385 PolarHBondContact OE1-ND1 3.24Å; Q380-I388 HydrophobicContact CB-CG1 4.46Å; Q380-L400 HydrophobicContact CB-CD1 4.3Å; Q380-P401 PolarHBondContact OE1-O 2.79Å
381S92.3Very high95.4Very high43 Ų4344.2 Ų44.230%0.30121%0.21SC..Hα-helixtrans-64.9-27.6176.8-61.20000113.5S377 R378 C379 S383S377-S381 PolarHBondContact O-N 2.63Å; S377-S381 PolarHBondContact O-OG 3.11Å; R378-S381 WeakPolarHBondContact O-CB 3.36Å; R378-S381 PolarHBondContact O-N 3.08Å; R378-S381 VanDerWaalsContact O-N 3.14Å; C379-S381 VanDerWaalsContact C-N 3.32Å; C379-S381 PolarHBondContact O-N 2.72Å; S381-S383 VanDerWaalsContact C-N 3.35Å
382F94.4Very high95.3Very high100 Ų10044.5 Ų44.544%0.43921%0.211SC..THydrogen-bonded Turntrans-88.8-0.8172.7-61.8-23.6000113.6A341 F342 Y349 R378 C379 Q380A341-F382 HydrophobicContact CB-CD2 4.07Å; A341-F382 HydrophobicContact CB-CE2 3.83Å; F342-F382 HydrophobicContact CB-CE2 4.24Å; Y349-F382 PolarHBondContact OH-O 2.88Å; R378-F382 HydrophobicContact CG-CD2 4.48Å; R378-F382 HydrophobicContact CG-CE2 3.88Å; R378-F382 HydrophobicContact CG-CZ 3.98Å; R378-F382 PolarHBondContact O-N 2.94Å; R378-F382 VanDerWaalsContact O-N 3.09Å; C379-F382 PolarHBondContact O-N 3.31Å; Q380-F382 VanDerWaalsContact C-N 3.26Å; Q380-F382 PolarHBondContact O-N 3.29Å
383S94.5Very high95.3Very high29 Ų2945.8 Ų45.820%0.20322%0.22CC..SBendtrans-143.9-146.5-173.6-164.40000110.4Y349 C379 Q380 S381 R387Y349-S383 WeakPolarHBondContact OH-CB 3.22Å; C379-S383 VanDerWaalsContact O-CB 3.28Å; C379-S383 WeakPolarHBondContact O-CB 3.23Å; C379-S383 PolarHBondContact O-N 3.1Å; Q380-S383 CarbonylContact O-C 3.55Å; Q380-S383 PolarHBondContact O-N 3.22Å; S381-S383 VanDerWaalsContact C-N 3.35Å; S383-R387 WeakPolarHBondContact OG-CD 3.43Å
384Y92.4Very high95.3Very high134 Ų13449.5 Ų49.553%0.52524%0.238SC..  trans-135.8155.6170.752.9-87.2000109.6E386 R387 I388Y384-E386 HydrophobicContact CD2-CB 4.04Å; Y384-E386 WeakPolarHBondContact CD2-OE2 3.35Å; Y384-E386 HydrophobicContact CE2-CB 4.19Å; Y384-E386 PolarHBondContact O-N 3.26Å; Y384-R387 HydrophobicContact CD1-CB 4.4Å; Y384-R387 HydrophobicContact CD2-CB 3.81Å; Y384-R387 HydrophobicContact CE1-CB 4.02Å; Y384-R387 HydrophobicContact CE2-CB 3.37Å; Y384-R387 HydrophobicContact CG-CB 4.31Å; Y384-R387 VanDerWaalsContact CZ-CB 3.49Å; Y384-R387 PolarHBondContact O-N 3.15Å; Y384-I388 PolarHBondContact O-N 3.25Å
385H93.7Very high95.3Very high28 Ų2853.3 Ų53.313%0.1326%0.256CS..Hα-helixtrans-55.8-46.6-168.4-178.478.6000112.6Q380 R387 I388 I389 P401 A403Q380-H385 PolarHBondContact OE1-ND1 3.24Å; H385-R387 PolarHBondContact O-N 3.1Å; H385-I388 PolarHBondContact O-N 3.4Å; H385-I389 WeakPolarHBondContact NE2-CD1 3.42Å; H385-I389 PolarHBondContact O-N 3.4Å; H385-P401 PolarHBondContact CE1-O 2.98Å; H385-P401 PolarHBondContact ND1-O 2.79Å; H385-P401 VanDerWaalsContact ND1-O 3.13Å; H385-A403 PolarHBondContact CE1-N 3.44Å
386E95Very high95.2Very high107 Ų10753.3 Ų53.350%0.526%0.256SS..Hα-helixtrans-59.7-44.4-177.1-63.373.5-163.100111.7Y384 I388 I389 E390Y384-E386 HydrophobicContact CD2-CB 4.04Å; Y384-E386 WeakPolarHBondContact CD2-OE2 3.35Å; Y384-E386 HydrophobicContact CE2-CB 4.19Å; Y384-E386 PolarHBondContact O-N 3.26Å; E386-I388 PolarHBondContact O-N 2.98Å; E386-I389 PolarHBondContact O-N 3.34Å; E386-E390 WeakPolarHBondContact O-CG 3.45Å; E386-E390 PolarHBondContact O-N 2.81Å
387R95.6Very high95.2Very high83 Ų8356.6 Ų56.631%0.31327%0.27SS..Hα-helixtrans-65.7-38.1179.5173.6170.2-179.4-158.43.4112.7S383 Y384 H385S383-R387 WeakPolarHBondContact OG-CD 3.43Å; Y384-R387 HydrophobicContact CD1-CB 4.4Å; Y384-R387 HydrophobicContact CD2-CB 3.81Å; Y384-R387 HydrophobicContact CE1-CB 4.02Å; Y384-R387 HydrophobicContact CE2-CB 3.37Å; Y384-R387 HydrophobicContact CG-CB 4.31Å; Y384-R387 VanDerWaalsContact CZ-CB 3.49Å; Y384-R387 PolarHBondContact O-N 3.15Å; H385-R387 PolarHBondContact O-N 3.1Å
388I96.2Very high95.1Very high0 Ų062.1 Ų62.10%029%0.294CS..Hα-helixtrans-72.5-35.6178.4-56.5-54.4000110.3Y349 L376 C379 Q380 Y384 H385 E386 E390 I391 L392 L400Y349-I388 HydrophobicContact CD1-CD1 4.07Å; Y349-I388 HydrophobicContact CD2-CD1 4.21Å; Y349-I388 HydrophobicContact CE1-CD1 3.95Å; Y349-I388 HydrophobicContact CE2-CD1 4.1Å; Y349-I388 HydrophobicContact CG-CD1 4.21Å; L376-I388 HydrophobicContact CD2-CG2 4.47Å; C379-I388 HydrophobicContact CB-CD1 4.09Å; Q380-I388 HydrophobicContact CB-CG1 4.46Å; Y384-I388 PolarHBondContact O-N 3.25Å; H385-I388 PolarHBondContact O-N 3.4Å; E386-I388 PolarHBondContact O-N 2.98Å; I388-E390 VanDerWaalsContact C-N 3.3Å; I388-E390 PolarHBondContact O-N 3.26Å; I388-I391 HydrophobicContact CD1-CD1 4.02Å; I388-I391 HydrophobicContact CG2-CD1 4.36Å; I388-I391 WeakPolarHBondContact O-CG1 3.47Å; I388-I391 PolarHBondContact O-N 3.28Å; I388-L392 HydrophobicContact CG2-CD1 4.06Å; I388-L392 VanDerWaalsContact O-CG 3.26Å; I388-L392 WeakPolarHBondContact O-CG 3.03Å; I388-L400 HydrophobicContact CB-CD1 4.12Å; I388-L400 HydrophobicContact CB-CD2 4.32Å; I388-L400 HydrophobicContact CG2-CD1 3.47Å; I388-L400 VanDerWaalsContact CG2-CD1 3.47Å; I388-L400 HydrophobicContact CG2-CD2 4.26Å
389I95.4Very high95Very high55 Ų5561.1 Ų61.128%0.28229%0.292SS..Hα-helixtrans-63.1-36.9174.5-116.5166.9000112.3H385 E386 I391 L392 K397 L400H385-I389 WeakPolarHBondContact NE2-CD1 3.42Å; H385-I389 PolarHBondContact O-N 3.4Å; E386-I389 PolarHBondContact O-N 3.34Å; I389-I391 VanDerWaalsContact C-N 3.34Å; I389-I391 PolarHBondContact O-N 2.93Å; I389-L392 PolarHBondContact O-N 2.79Å; I389-K397 HydrophobicContact CG1-CD 4.46Å; I389-K397 HydrophobicContact CG1-CG 4.32Å; I389-K397 WeakPolarHBondContact O-CE 3.44Å; I389-L400 HydrophobicContact CB-CD2 4.22Å; I389-L400 HydrophobicContact CD1-CD2 4.15Å; I389-L400 HydrophobicContact CG1-CD2 3.71Å
390E95.6Very high94.9Very high153 Ų15361.5 Ų61.572%0.71529%0.293SS*.Hα-helixtrans-68.5-29.2-177.7-78174.9-176.600113.7E386 I388E386-E390 WeakPolarHBondContact O-CG 3.45Å; E386-E390 PolarHBondContact O-N 2.81Å; I388-E390 VanDerWaalsContact C-N 3.3Å; I388-E390 PolarHBondContact O-N 3.26Å
391I95Very high94.5Very high54 Ų5461.3 Ų61.328%0.27729%0.294SS..Hα-helixtrans-86.1-13.4-179.159.8168.7000113.2Y349 I388 I389Y349-I391 HydrophobicContact CD1-CD1 4.42Å; Y349-I391 HydrophobicContact CD2-CD1 4.47Å; Y349-I391 HydrophobicContact CG-CD1 3.85Å; I388-I391 HydrophobicContact CD1-CD1 4.02Å; I388-I391 HydrophobicContact CG2-CD1 4.36Å; I388-I391 WeakPolarHBondContact O-CG1 3.47Å; I388-I391 PolarHBondContact O-N 3.28Å; I389-I391 VanDerWaalsContact C-N 3.34Å; I389-I391 PolarHBondContact O-N 2.93Å
392L96.5Very high94.3Very high8 Ų863.3 Ų63.34%0.04231%0.306CS..SBendtrans-93.6142.9-172.9-69.6173.4000112.3W353 L376 I388 I389 L396 K397 L400W353-L392 HydrophobicContact CD2-CD2 3.79Å; W353-L392 HydrophobicContact CE3-CD2 3.98Å; W353-L392 HydrophobicContact CG-CD2 4.14Å; W353-L392 HydrophobicContact CZ2-CD2 4.45Å; W353-L392 HydrophobicContact CZ3-CD2 4.38Å; L376-L392 HydrophobicContact CD1-CD1 3.89Å; L376-L392 HydrophobicContact CD2-CD1 3.92Å; L376-L392 HydrophobicContact CD2-CD2 3.75Å; L376-L392 HydrophobicContact CD2-CG 4.4Å; I388-L392 HydrophobicContact CG2-CD1 4.06Å; I388-L392 VanDerWaalsContact O-CG 3.26Å; I388-L392 WeakPolarHBondContact O-CG 3.03Å; I389-L392 PolarHBondContact O-N 2.79Å; L392-L396 HydrophobicContact CD2-CB 4.37Å; L392-L396 HydrophobicContact CD2-CD1 4.31Å; L392-K397 HydrophobicContact CB-CG 4.23Å; L392-K397 VanDerWaalsContact O-CE 3.25Å; L392-K397 WeakPolarHBondContact O-CE 3.35Å; L392-L400 HydrophobicContact CD1-CB 4.48Å
393P96.6Very high94.1Very high27 Ų2760.9 Ų60.918%0.17530%0.304CS..  trans-64.415416532-35.8000110.2W353 T357 E395 L396W353-P393 HydrophobicContact CB-CG 3.98Å; T357-P393 HydrophobicContact CG2-CG 4.11Å; P393-E395 WeakPolarHBondContact CB-OE2 3.43Å; P393-E395 PolarHBondContact O-N 3.36Å; P393-L396 HydrophobicContact CG-CB 4.28Å; P393-L396 HydrophobicContact CG-CD1 3.84Å; P393-L396 HydrophobicContact CG-CG 3.94Å; P393-L396 PolarHBondContact O-N 3.43Å; P393-L396 VanDerWaalsContact O-N 3.07Å
394D96Very high93.6Very high116 Ų11662.3 Ų62.362%0.6231%0.313SS*.G310 helixtrans-58.3-35.5-171.9-73.6-34.1000112.6L396 K397D394-L396 VanDerWaalsContact C-N 3.28Å; D394-L396 PolarHBondContact O-N 3.19Å; D394-K397 PolarHBondContact O-N 3.38Å; D394-K397 WeakPolarHBondContact OD1-CE 3.42Å; D394-K397 IonicContact OD1-NZ 3.47Å; D394-K397 PolarHBondContact OD1-NZ 2.65Å
395E96.1Very high93.3Very high107 Ų10762.9 Ų62.950%0.532%0.318SS..G310 helixtrans-60.4-35.1179.1-60.380.1-17800112T357 P393 H398T357-E395 HydrophobicContact CG2-CB 4Å; T357-E395 HydrophobicContact CG2-CG 4.47Å; P393-E395 WeakPolarHBondContact CB-OE2 3.43Å; P393-E395 PolarHBondContact O-N 3.36Å; E395-H398 PolarHBondContact O-CE1 2.91Å; E395-H398 PolarHBondContact O-ND1 3.32Å
396L96.7Very high93.2Very high0 Ų062.9 Ų62.90%032%0.32CS..G310 helixtrans-88.4-13.3-177.9-64.6-178.3000113.5W353 T357 V372 L392 P393 D394 H398 L399W353-L396 HydrophobicContact CB-CD1 4.07Å; W353-L396 HydrophobicContact CE3-CD1 4.09Å; T357-L396 HydrophobicContact CG2-CD2 4.47Å; T357-L396 HydrophobicContact CG2-CG 4.18Å; V372-L396 HydrophobicContact CG1-CD2 4.32Å; L392-L396 HydrophobicContact CD2-CB 4.37Å; L392-L396 HydrophobicContact CD2-CD1 4.31Å; P393-L396 HydrophobicContact CG-CB 4.28Å; P393-L396 HydrophobicContact CG-CD1 3.84Å; P393-L396 HydrophobicContact CG-CG 3.94Å; P393-L396 PolarHBondContact O-N 3.43Å; P393-L396 VanDerWaalsContact O-N 3.07Å; D394-L396 VanDerWaalsContact C-N 3.28Å; D394-L396 PolarHBondContact O-N 3.19Å; L396-H398 PolarHBondContact O-N 3.23Å; L396-L399 HydrophobicContact CD2-CD1 3.92Å; L396-L399 WeakPolarHBondContact O-CB 3.31Å; L396-L399 PolarHBondContact O-N 3.46Å
397K95.5Very high93.1Very high71 Ų7161.2 Ų61.231%0.30931%0.311SS..G310 helixtrans-61.2-30.7-173.1-70.9179.5-176170.80113.3I389 L392 D394 L399 L400I389-K397 HydrophobicContact CG1-CD 4.46Å; I389-K397 HydrophobicContact CG1-CG 4.32Å; I389-K397 WeakPolarHBondContact O-CE 3.44Å; L392-K397 HydrophobicContact CB-CG 4.23Å; L392-K397 VanDerWaalsContact O-CE 3.25Å; L392-K397 WeakPolarHBondContact O-CE 3.35Å; D394-K397 PolarHBondContact O-N 3.38Å; D394-K397 WeakPolarHBondContact OD1-CE 3.42Å; D394-K397 IonicContact OD1-NZ 3.47Å; D394-K397 PolarHBondContact OD1-NZ 2.65Å; K397-L399 PolarHBondContact O-N 2.94Å; K397-L400 WeakPolarHBondContact O-CB 3.48Å; K397-L400 PolarHBondContact O-N 2.68Å
398H93.6Very high92.9Very high130 Ų13058.2 Ų58.260%0.60230%0.301SS*.G310 helixtrans-72.3-16.7178.274.3-84.7000113.6C360 E395 L396C360-H398 VanDerWaalsContact SG-CE1 3.56Å; E395-H398 PolarHBondContact O-CE1 2.91Å; E395-H398 PolarHBondContact O-ND1 3.32Å; L396-H398 PolarHBondContact O-N 3.23Å
399L94.3Very high92.6Very high18 Ų1860.6 Ų60.69%0.09431%0.312CS..G310 helixtrans-83-18.3174.3-56.1-175.6000112.6L369 V372 L376 L396 K397L369-L399 HydrophobicContact CD1-CD1 3.8Å; L369-L399 HydrophobicContact CD1-CD2 3.5Å; L369-L399 HydrophobicContact CD1-CG 4.32Å; V372-L399 HydrophobicContact CB-CD1 4.33Å; V372-L399 HydrophobicContact CG1-CD1 3.81Å; L376-L399 HydrophobicContact CD1-CB 3.97Å; L396-L399 HydrophobicContact CD2-CD1 3.92Å; L396-L399 WeakPolarHBondContact O-CB 3.31Å; L396-L399 PolarHBondContact O-N 3.46Å; K397-L399 PolarHBondContact O-N 2.94Å
400L93Very high92.4Very high9 Ų958.6 Ų58.65%0.04730%0.301CS..SBendtrans-67.8135.9175.4-171.769.7000109.3L376 Q380 I388 I389 L392 K397L376-L400 HydrophobicContact CB-CD1 3.93Å; Q380-L400 HydrophobicContact CB-CD1 4.3Å; I388-L400 HydrophobicContact CB-CD1 4.12Å; I388-L400 HydrophobicContact CB-CD2 4.32Å; I388-L400 HydrophobicContact CG2-CD1 3.47Å; I388-L400 VanDerWaalsContact CG2-CD1 3.47Å; I388-L400 HydrophobicContact CG2-CD2 4.26Å; I389-L400 HydrophobicContact CB-CD2 4.22Å; I389-L400 HydrophobicContact CD1-CD2 4.15Å; I389-L400 HydrophobicContact CG1-CD2 3.71Å; L392-L400 HydrophobicContact CD1-CB 4.48Å; K397-L400 WeakPolarHBondContact O-CB 3.48Å; K397-L400 PolarHBondContact O-N 2.68Å
401P86.2Confident91.7Very high16 Ų1654.1 Ų54.110%0.10429%0.286CS..PPolyproline II helixtrans-54.7141.2172.4-26.135.6000110.8Q380 H385Q380-P401 PolarHBondContact OE1-O 2.79Å; H385-P401 PolarHBondContact CE1-O 2.98Å; H385-P401 PolarHBondContact ND1-O 2.79Å; H385-P401 VanDerWaalsContact ND1-O 3.13Å
402P88.9Confident90.8Very high85 Ų8556.4 Ų56.455%0.55230%0.295SS*.PPolyproline II helixtrans-58.5158.8178.2-18.127.5000111.5T515P402-T515 HydrophobicContact CB-CG2 3.87Å; P402-T515 HydrophobicContact CG-CG2 4.02Å
403A88.7Confident89.5Confident48 Ų4864.6 Ų64.640%0.39733%0.333SS..PPolyproline II helixtrans-50.4134.817800000111H385 K405 T515H385-A403 PolarHBondContact CE1-N 3.44Å; A403-K405 PolarHBondContact O-N 3.13Å; A403-K405 VanDerWaalsContact O-N 3.12Å; A403-T515 PolarHBondContact O-OG1 3.01Å
404P85Confident88.2Confident60 Ų6067.5 Ų67.539%0.3937%0.367SS..PPolyproline II helixtrans-61.7117.5-176.9-20.430.5000111.7T515 F516P404-T515 VanDerWaalsContact CA-OG1 3.29Å; P404-T515 WeakPolarHBondContact CA-OG1 3.43Å; P404-F516 HydrophobicContact CB-CD1 3.55Å; P404-F516 HydrophobicContact CB-CD2 4.34Å; P404-F516 HydrophobicContact CB-CE1 3.08Å; P404-F516 HydrophobicContact CB-CE2 3.94Å; P404-F516 HydrophobicContact CB-CG 4.16Å; P404-F516 HydrophobicContact CB-CZ 3.29Å; P404-F516 HydrophobicContact CG-CE1 4.23Å
405K85.7Confident87.2Confident145 Ų14565.5 Ų65.563%0.6336%0.359SS*.  trans-134137.3-175.6-171.9178.2179.3-176.20110.7A403 T515 F516A403-K405 PolarHBondContact O-N 3.13Å; A403-K405 VanDerWaalsContact O-N 3.12Å; K405-T515 PolarHBondContact N-OG1 2.86Å; K405-F516 VanDerWaalsContact C-CE2 3.48Å; K405-F516 WeakPolarHBondContact O-CE2 3.26Å
406V91.9Very high86.3Confident28 Ų2867 Ų6717%0.1738%0.376CS..  trans-89.6133.7171.7-1780000108.9V471 Q474 T512 F516V406-V471 HydrophobicContact CG1-CG2 3.97Å; V406-Q474 HydrophobicContact CG2-CB 3.76Å; V406-Q474 HydrophobicContact CG2-CG 4.46Å; V406-T512 HydrophobicContact CG1-CG2 4.04Å; V406-F516 HydrophobicContact CG2-CE2 3.79Å; V406-F516 HydrophobicContact CG2-CZ 4.36Å
407F92.6Very high85.5Confident73 Ų7370 Ų7032%0.3240%0.395SS..  trans-114.4116.3177.9-179.2-112.8000109.1K409 F412 E511 T512F407-K409 HydrophobicContact CD1-CB 4.08Å; F407-K409 HydrophobicContact CE1-CB 3.49Å; F407-K409 VanDerWaalsContact CE1-CB 3.49Å; F407-K409 HydrophobicContact CZ-CB 4.15Å; F407-F412 HydrophobicContact CD2-CD2 4.08Å; F407-F412 HydrophobicContact CD2-CE2 4.25Å; F407-F412 AromaticContact CE2-CD2 3.37Å; F407-F412 HydrophobicContact CE2-CD2 3.37Å; F407-F412 AromaticContact CE2-CE2 3.58Å; F407-F412 HydrophobicContact CE2-CE2 3.58Å; F407-F412 HydrophobicContact CE2-CG 4.03Å; F407-F412 HydrophobicContact CE2-CZ 4.38Å; F407-F412 HydrophobicContact CZ-CD2 4.19Å; F407-F412 HydrophobicContact CZ-CG 4.43Å; F407-E511 WeakPolarHBondContact CD1-O 3.37Å; F407-T512 PolarHBondContact N-O 3.36Å; F407-T512 VanDerWaalsContact O-CA 3.31Å; F407-T512 WeakPolarHBondContact O-CA 3.35Å
408D91.4Very high85.2Confident19 Ų1967.2 Ų67.210%0.10238%0.384CS..  trans-100.295.4171.9-173.7-2.7000108.8F410 S411 F412 Q468 V471D408-F410 PolarHBondContact O-N 2.92Å; D408-F410 VanDerWaalsContact O-N 3.13Å; D408-F410 PolarHBondContact OD1-N 3.35Å; D408-F410 VanDerWaalsContact OD1-N 3.13Å; D408-S411 WeakPolarHBondContact CB-OG 3.5Å; D408-S411 PolarHBondContact O-N 3.35Å; D408-S411 WeakPolarHBondContact OD2-CB 3.09Å; D408-S411 PolarHBondContact OD2-OG 3.44Å; D408-F412 PolarHBondContact O-N 2.85Å; D408-Q468 PolarHBondContact OD1-NE2 2.97Å; D408-V471 HydrophobicContact CB-CG1 4.46Å; D408-V471 HydrophobicContact CB-CG2 3.74Å
409K90.4Very high85.1Confident50 Ų5069 Ų6922%0.21739%0.393CS..THydrogen-bonded Turntrans-63.7-16.1-178.775.1178.3-175.4177.30113.6F407 E463 E511F407-K409 HydrophobicContact CD1-CB 4.08Å; F407-K409 HydrophobicContact CE1-CB 3.49Å; F407-K409 VanDerWaalsContact CE1-CB 3.49Å; F407-K409 HydrophobicContact CZ-CB 4.15Å; K409-E463 IonicContact NZ-OE2 2.66Å; K409-E463 PolarHBondContact NZ-OE2 3.48Å; K409-E511 VanDerWaalsContact CD-OE2 3.3Å; K409-E511 WeakPolarHBondContact CD-OE2 3.47Å; K409-E511 WeakPolarHBondContact CE-OE2 3.38Å; K409-E511 IonicContact NZ-OE2 2.66Å; K409-E511 PolarHBondContact NZ-OE2 3.41Å
410F90Very high85Confident14 Ų1468.6 Ų68.66%0.06139%0.391CS..THydrogen-bonded Turntrans-97.4-12.3-175.3-59.1-71.9000113.9D408 P417 S418 A421 Y460 E463 V464 S467D408-F410 PolarHBondContact O-N 2.92Å; D408-F410 VanDerWaalsContact O-N 3.13Å; D408-F410 PolarHBondContact OD1-N 3.35Å; D408-F410 VanDerWaalsContact OD1-N 3.13Å; F410-P417 WeakPolarHBondContact O-CA 3.33Å; F410-S418 PolarHBondContact O-N 2.91Å; F410-S418 VanDerWaalsContact O-N 3.11Å; F410-A421 HydrophobicContact CB-CB 3.54Å; F410-A421 HydrophobicContact CG-CB 4.13Å; F410-Y460 AromaticContact CE1-CE2 3.79Å; F410-Y460 HydrophobicContact CE1-CE2 3.79Å; F410-E463 HydrophobicContact CZ-CB 4.08Å; F410-V464 HydrophobicContact CD1-CG2 3.91Å; F410-V464 HydrophobicContact CE1-CG2 3.43Å; F410-V464 VanDerWaalsContact CE1-CG2 3.43Å; F410-V464 HydrophobicContact CE2-CB 4.37Å; F410-V464 HydrophobicContact CE2-CG2 4.1Å; F410-V464 HydrophobicContact CG-CG2 4.42Å; F410-V464 HydrophobicContact CZ-CB 4.2Å; F410-V464 HydrophobicContact CZ-CG2 3.51Å; F410-S467 WeakPolarHBondContact CE2-OG 3.29Å
411S82.2Confident85Confident58 Ų5868.4 Ų68.441%0.40639%0.39SS..SBendtrans-124.716.6174.769.10000112.6D408D408-S411 WeakPolarHBondContact CB-OG 3.5Å; D408-S411 PolarHBondContact O-N 3.35Å; D408-S411 WeakPolarHBondContact OD2-CB 3.09Å; D408-S411 PolarHBondContact OD2-OG 3.44Å
412F75.9Confident85.3Confident102 Ų10271.3 Ų71.345%0.44741%0.405SS..  trans-65.1135-176.7-168.4-102.9000112F407 D408 G414 T415F407-F412 HydrophobicContact CD2-CD2 4.08Å; F407-F412 HydrophobicContact CD2-CE2 4.25Å; F407-F412 AromaticContact CE2-CD2 3.37Å; F407-F412 HydrophobicContact CE2-CD2 3.37Å; F407-F412 AromaticContact CE2-CE2 3.58Å; F407-F412 HydrophobicContact CE2-CE2 3.58Å; F407-F412 HydrophobicContact CE2-CG 4.03Å; F407-F412 HydrophobicContact CE2-CZ 4.38Å; F407-F412 HydrophobicContact CZ-CD2 4.19Å; F407-F412 HydrophobicContact CZ-CG 4.43Å; D408-F412 PolarHBondContact O-N 2.85Å; F412-G414 PolarHBondContact O-N 3.25Å; F412-T415 PolarHBondContact O-N 3.43Å; F412-T415 VanDerWaalsContact O-N 3.16Å; F412-T415 PolarHBondContact O-OG1 3.3Å
413E68.1Low85.5Confident181 Ų18172 Ų7285%0.84640%0.4SS*.THydrogen-bonded Turntrans-59.2124.3178-76.6-175.5162.200110.8
414G69.6Low85.8Confident87 Ų8769.7 Ų69.790%0.89738%0.382SS*.THydrogen-bonded Turntrans98.7-5.4-179.600000115F412F412-G414 PolarHBondContact O-N 3.25Å
415T75.7Confident86.3Confident74 Ų7468.1 Ų68.145%0.45437%0.369SS..SBendtrans-107.3152.1168.8550000111.2F412 P417F412-T415 PolarHBondContact O-N 3.43Å; F412-T415 VanDerWaalsContact O-N 3.16Å; F412-T415 PolarHBondContact O-OG1 3.3Å; T415-P417 VanDerWaalsContact O-CD 3.28Å; T415-P417 WeakPolarHBondContact O-CD 3.45Å
416V78.1Confident86.7Confident139 Ų13967.7 Ų67.784%0.84237%0.369SS*.PPolyproline II helixtrans-65118.5172.2178.90000107.6S418V416-S418 PolarHBondContact O-N 2.96Å
417P79.6Confident86.9Confident64 Ų6466.4 Ų66.442%0.41636%0.361SS..PPolyproline II helixtrans-59.1137.2-179.5-23.434000110.6F410 T415 E419 L422F410-P417 WeakPolarHBondContact O-CA 3.33Å; T415-P417 VanDerWaalsContact O-CD 3.28Å; T415-P417 WeakPolarHBondContact O-CD 3.45Å; P417-E419 PolarHBondContact O-N 2.98Å; P417-L422 HydrophobicContact CB-CD1 3.93Å; P417-L422 HydrophobicContact CB-CG 4.46Å
418S89Confident87Confident11 Ų1163.3 Ų63.38%0.07735%0.348CS..PPolyproline II helixtrans-67.2122174.2167.70000109.4F410 V416 L420 A421 L422 Y460F410-S418 PolarHBondContact O-N 2.91Å; F410-S418 VanDerWaalsContact O-N 3.11Å; V416-S418 PolarHBondContact O-N 2.96Å; S418-L420 VanDerWaalsContact C-N 3.3Å; S418-L420 PolarHBondContact O-N 2.9Å; S418-A421 PolarHBondContact O-N 3.38Å; S418-A421 PolarHBondContact OG-N 2.89Å; S418-A421 VanDerWaalsContact OG-N 3.16Å; S418-L422 PolarHBondContact O-N 3.22Å; S418-L422 VanDerWaalsContact O-N 3.07Å; S418-Y460 WeakPolarHBondContact CB-OH 3.48Å; S418-Y460 PolarHBondContact OG-OH 3.4Å
419E90.1Very high87.2Confident168 Ų16868.5 Ų68.579%0.78537%0.37SS*.Hα-helixtrans-59.4-44.2176-67.5-175172.400110.5P417 A421 L422 E423P417-E419 PolarHBondContact O-N 2.98Å; E419-A421 VanDerWaalsContact C-N 3.33Å; E419-A421 PolarHBondContact O-N 3.12Å; E419-L422 PolarHBondContact O-N 2.93Å; E419-E423 PolarHBondContact O-N 3.22Å
420L92.4Very high87.4Confident10 Ų1069.4 Ų69.45%0.05239%0.386CS..Hα-helixtrans-57.9-44.5175.317962.7000111.8S418 L422 E423 L424 I440 L441 E456 Y460 K461 V464S418-L420 VanDerWaalsContact C-N 3.3Å; S418-L420 PolarHBondContact O-N 2.9Å; L420-L422 PolarHBondContact O-N 3.12Å; L420-E423 PolarHBondContact O-N 3.43Å; L420-L424 HydrophobicContact CD1-CD1 3.88Å; L420-L424 HydrophobicContact CD1-CG 4.03Å; L420-L424 HydrophobicContact CD2-CD1 4.45Å; L420-L424 HydrophobicContact CG-CD1 3.85Å; L420-L424 HydrophobicContact CG-CG 4.41Å; L420-L424 WeakPolarHBondContact O-CB 3.48Å; L420-L424 VanDerWaalsContact O-CG 3.29Å; L420-L424 WeakPolarHBondContact O-CG 3.19Å; L420-L424 PolarHBondContact O-N 3.04Å; L420-I440 HydrophobicContact CD1-CG2 3.75Å; L420-L441 HydrophobicContact CD1-CD2 4.4Å; L420-L441 HydrophobicContact CD2-CD2 4.41Å; L420-E456 VanDerWaalsContact CD2-OE2 3.23Å; L420-E456 WeakPolarHBondContact CD2-OE2 3.4Å; L420-Y460 HydrophobicContact CD2-CD1 4.46Å; L420-Y460 HydrophobicContact CD2-CE1 4.21Å; L420-K461 HydrophobicContact CD2-CB 4.49Å; L420-K461 HydrophobicContact CD2-CG 3.97Å; L420-V464 HydrophobicContact CD2-CB 4.24Å; L420-V464 HydrophobicContact CD2-CG1 4.3Å; L420-V464 HydrophobicContact CD2-CG2 4.25Å; L420-V464 HydrophobicContact CG-CG1 4.15Å
421A93.2Very high87.6Confident4 Ų478.1 Ų78.13%0.03342%0.419CS..Hα-helixtrans-62.8-43.4179.600000112F410 S418 E419 Q425 V464 Q468F410-A421 HydrophobicContact CB-CB 3.54Å; F410-A421 HydrophobicContact CG-CB 4.13Å; S418-A421 PolarHBondContact O-N 3.38Å; S418-A421 PolarHBondContact OG-N 2.89Å; S418-A421 VanDerWaalsContact OG-N 3.16Å; E419-A421 VanDerWaalsContact C-N 3.33Å; E419-A421 PolarHBondContact O-N 3.12Å; A421-Q425 WeakPolarHBondContact O-CB 3.48Å; A421-Q425 PolarHBondContact O-N 3.31Å; A421-V464 HydrophobicContact CB-CG1 3.68Å; A421-Q468 HydrophobicContact CB-CG 4.27Å
422L93Very high88.1Confident78 Ų7879.7 Ų79.741%0.40842%0.419SS..Hα-helixtrans-63-47.1177.2-70.4173.3000111.3P417 S418 E419 L420 L424 Q425 E426P417-L422 HydrophobicContact CB-CD1 3.93Å; P417-L422 HydrophobicContact CB-CG 4.46Å; S418-L422 PolarHBondContact O-N 3.22Å; S418-L422 VanDerWaalsContact O-N 3.07Å; E419-L422 PolarHBondContact O-N 2.93Å; L420-L422 PolarHBondContact O-N 3.12Å; L422-L424 PolarHBondContact O-N 3.39Å; L422-Q425 PolarHBondContact O-N 2.95Å; L422-E426 WeakPolarHBondContact O-CG 3.43Å; L422-E426 PolarHBondContact O-N 2.96Å
423E94.1Very high89Confident98 Ų9880.2 Ų80.246%0.45842%0.422SS..Hα-helixtrans-63.9-43.7-178.9-166-179.9175.600111.9E419 L420 Q425 E426 A427 I440E419-E423 PolarHBondContact O-N 3.22Å; L420-E423 PolarHBondContact O-N 3.43Å; E423-Q425 VanDerWaalsContact C-N 3.34Å; E423-Q425 PolarHBondContact O-N 2.95Å; E423-E426 PolarHBondContact O-N 3.05Å; E423-A427 WeakPolarHBondContact O-CB 3.42Å; E423-A427 PolarHBondContact O-N 2.88Å; E423-I440 HydrophobicContact CB-CG2 4.26Å; E423-I440 HydrophobicContact CG-CD1 4.22Å; E423-I440 HydrophobicContact CG-CG2 4Å
424L95Very high90.2Very high0 Ų072.6 Ų72.60%039%0.388CS..Hα-helixtrans-62.8-42.7174-72.5171.8000111.3L420 L422 E426 A427 I428 L437 I440 L441 V464 M465L420-L424 HydrophobicContact CD1-CD1 3.88Å; L420-L424 HydrophobicContact CD1-CG 4.03Å; L420-L424 HydrophobicContact CD2-CD1 4.45Å; L420-L424 HydrophobicContact CG-CD1 3.85Å; L420-L424 HydrophobicContact CG-CG 4.41Å; L420-L424 WeakPolarHBondContact O-CB 3.48Å; L420-L424 VanDerWaalsContact O-CG 3.29Å; L420-L424 WeakPolarHBondContact O-CG 3.19Å; L420-L424 PolarHBondContact O-N 3.04Å; L422-L424 PolarHBondContact O-N 3.39Å; L424-E426 PolarHBondContact O-N 3.38Å; L424-A427 PolarHBondContact O-N 3.35Å; L424-I428 WeakPolarHBondContact O-CB 3.26Å; L424-I428 WeakPolarHBondContact O-CD1 3.44Å; L424-I428 WeakPolarHBondContact O-CG1 3.39Å; L424-I428 PolarHBondContact O-N 3.02Å; L424-L437 HydrophobicContact CD2-CB 4.31Å; L424-L437 HydrophobicContact CD2-CD2 4.12Å; L424-L437 HydrophobicContact CD2-CG 4.14Å; L424-I440 HydrophobicContact CD2-CB 4.33Å; L424-I440 HydrophobicContact CD2-CG2 3.99Å; L424-I440 HydrophobicContact CG-CG2 4.22Å; L424-L441 HydrophobicContact CD1-CD2 3.92Å; L424-L441 HydrophobicContact CD2-CD2 4.33Å; L424-L441 HydrophobicContact CD2-CG 4.24Å; L424-V464 HydrophobicContact CD1-CG1 3.79Å; L424-M465 HydrophobicContact CD1-SD 4.3Å; L424-M465 HydrophobicContact CD2-SD 4.21Å
425Q94.1Very high91.2Very high28 Ų2875.5 Ų75.513%0.13138%0.379CS..Hα-helixtrans-63.2-43.1179.9-163.5-174.284.500111.4A421 L422 E423 I428 K429 L472A421-Q425 WeakPolarHBondContact O-CB 3.48Å; A421-Q425 PolarHBondContact O-N 3.31Å; L422-Q425 PolarHBondContact O-N 2.95Å; E423-Q425 VanDerWaalsContact C-N 3.34Å; E423-Q425 PolarHBondContact O-N 2.95Å; Q425-I428 PolarHBondContact O-N 3.45Å; Q425-K429 HydrophobicContact CG-CD 4.23Å; Q425-K429 VanDerWaalsContact O-CB 3.3Å; Q425-K429 WeakPolarHBondContact O-CB 3.26Å; Q425-K429 VanDerWaalsContact O-CG 3.25Å; Q425-K429 WeakPolarHBondContact O-CG 3.27Å; Q425-K429 PolarHBondContact O-N 3.48Å; Q425-L472 HydrophobicContact CG-CD1 3.98Å; Q425-L472 HydrophobicContact CG-CD2 3.77Å; Q425-L472 HydrophobicContact CG-CG 4.1Å
426E95.1Very high92Very high136 Ų13678.3 Ų78.364%0.63639%0.385SS*.Hα-helixtrans-62.9-44.9173.8-73.4-17216600111.8L422 E423 L424 I428 K429 A430L422-E426 WeakPolarHBondContact O-CG 3.43Å; L422-E426 PolarHBondContact O-N 2.96Å; E423-E426 PolarHBondContact O-N 3.05Å; L424-E426 PolarHBondContact O-N 3.38Å; E426-I428 PolarHBondContact O-N 3.09Å; E426-K429 PolarHBondContact O-N 2.91Å; E426-A430 WeakPolarHBondContact O-CB 3.26Å; E426-A430 PolarHBondContact O-N 3.4Å
427A95.7Very high92.8Very high0 Ų071.7 Ų71.70%034%0.344CS..Hα-helixtrans-58.6-45.2176.900000112.4E423 L424 A430 R431 K432 L437 I440E423-A427 WeakPolarHBondContact O-CB 3.42Å; E423-A427 PolarHBondContact O-N 2.88Å; L424-A427 PolarHBondContact O-N 3.35Å; A427-A430 PolarHBondContact O-N 3.37Å; A427-R431 PolarHBondContact O-N 2.91Å; A427-K432 HydrophobicContact CB-CD 3.81Å; A427-K432 HydrophobicContact CB-CG 4.45Å; A427-K432 WeakPolarHBondContact O-CB 3.25Å; A427-K432 WeakPolarHBondContact O-CG 3.49Å; A427-K432 PolarHBondContact O-N 2.98Å; A427-L437 HydrophobicContact CB-CD1 4.23Å; A427-L437 HydrophobicContact CB-CG 4.36Å; A427-I440 HydrophobicContact CB-CD1 3.95Å
428I95.4Very high93.3Very high9 Ų970.3 Ų70.35%0.04633%0.334CS..Hα-helixtrans-69.8-43.6179.7-62.3160.2000110.5L424 Q425 E426 A430 R431 L437 Q468 L469 L472 L483 F487L424-I428 WeakPolarHBondContact O-CB 3.26Å; L424-I428 WeakPolarHBondContact O-CD1 3.44Å; L424-I428 WeakPolarHBondContact O-CG1 3.39Å; L424-I428 PolarHBondContact O-N 3.02Å; Q425-I428 PolarHBondContact O-N 3.45Å; E426-I428 PolarHBondContact O-N 3.09Å; I428-A430 VanDerWaalsContact C-N 3.3Å; I428-A430 PolarHBondContact O-N 3.31Å; I428-R431 WeakPolarHBondContact O-CA 3.19Å; I428-R431 PolarHBondContact O-N 2.65Å; I428-L437 HydrophobicContact CD1-CD2 4.39Å; I428-L437 HydrophobicContact CG1-CD2 3.89Å; I428-Q468 HydrophobicContact CD1-CB 4.37Å; I428-L469 HydrophobicContact CD1-CD2 3.93Å; I428-L472 HydrophobicContact CB-CD1 3.52Å; I428-L472 HydrophobicContact CD1-CD1 3.98Å; I428-L472 HydrophobicContact CG1-CD1 4.37Å; I428-L472 HydrophobicContact CG2-CD1 3.38Å; I428-L483 HydrophobicContact CG2-CD2 4.02Å; I428-F487 HydrophobicContact CG1-CE2 4.24Å; I428-F487 HydrophobicContact CG1-CZ 4.05Å; I428-F487 HydrophobicContact CG2-CE2 3.93Å; I428-F487 HydrophobicContact CG2-CZ 4.25Å
429K94.9Very high93.4Very high128 Ų12873.6 Ų73.656%0.55735%0.354SS*.Hα-helixtrans-60.2-39.5175.3-78.4171.2172.9166.40111.8Q425 E426 R431 L472Q425-K429 HydrophobicContact CG-CD 4.23Å; Q425-K429 VanDerWaalsContact O-CB 3.3Å; Q425-K429 WeakPolarHBondContact O-CB 3.26Å; Q425-K429 VanDerWaalsContact O-CG 3.25Å; Q425-K429 WeakPolarHBondContact O-CG 3.27Å; Q425-K429 PolarHBondContact O-N 3.48Å; E426-K429 PolarHBondContact O-N 2.91Å; K429-R431 PolarHBondContact O-N 3.36Å; K429-L472 HydrophobicContact CD-CD2 4.22Å; K429-L472 HydrophobicContact CG-CD2 3.8Å
430A95.4Very high93.5Very high68 Ų6866.6 Ų66.656%0.56232%0.322SS*.THydrogen-bonded Turntrans-71.90.9173.700000113.6E426 A427 I428 K432E426-A430 WeakPolarHBondContact O-CB 3.26Å; E426-A430 PolarHBondContact O-N 3.4Å; A427-A430 PolarHBondContact O-N 3.37Å; I428-A430 VanDerWaalsContact C-N 3.3Å; I428-A430 PolarHBondContact O-N 3.31Å; A430-K432 HydrophobicContact CB-CG 4.29Å; A430-K432 PolarHBondContact O-N 3.25Å
431R93.1Very high93.4Very high197 Ų19766.1 Ų66.174%0.74332%0.32SS*.THydrogen-bonded Turntrans55.432.9-179.4-56.4-179.1179.8-176.3-0.1113A427 I428 K429 R486A427-R431 PolarHBondContact O-N 2.91Å; I428-R431 WeakPolarHBondContact O-CA 3.19Å; I428-R431 PolarHBondContact O-N 2.65Å; K429-R431 PolarHBondContact O-N 3.36Å; R431-R486 PolarHBondContact O-NH1 3.46Å; R431-R486 PolarHBondContact O-NH2 3.38Å
432K93.1Very high93.2Very high92 Ų9269.4 Ų69.440%0.433%0.333SS..  trans-56.6151.4174.3-67.1-172.6-173.4170.10110.8A427 A430 K436 L437 R486A427-K432 HydrophobicContact CB-CD 3.81Å; A427-K432 HydrophobicContact CB-CG 4.45Å; A427-K432 WeakPolarHBondContact O-CB 3.25Å; A427-K432 WeakPolarHBondContact O-CG 3.49Å; A427-K432 PolarHBondContact O-N 2.98Å; A430-K432 HydrophobicContact CB-CG 4.29Å; A430-K432 PolarHBondContact O-N 3.25Å; K432-K436 HydrophobicContact CB-CB 4.28Å; K432-K436 HydrophobicContact CD-CB 4.47Å; K432-L437 HydrophobicContact CB-CD1 4.24Å; K432-R486 PolarHBondContact O-NH2 3.47Å
433E93.7Very high92.6Very high112 Ų11268.4 Ų68.452%0.52333%0.332SS..  trans-67.9149.3175.7-64.6-54155.400111.7E435 K436 R486E433-E435 VanDerWaalsContact C-N 3.25Å; E433-E435 PolarHBondContact O-N 2.98Å; E433-K436 WeakPolarHBondContact O-CB 3.24Å; E433-K436 PolarHBondContact O-N 3.05Å; E433-R486 IonicContact OE1-NH2 3.69Å; E433-R486 IonicContact OE2-NH2 3.37Å; E433-R486 PolarHBondContact OE2-NH2 3.14Å
434P93.4Very high91.3Very high21 Ų2173.5 Ų73.514%0.13636%0.356CS..G310 helixtrans-52.6-40.8-175.8-27.134.8000113.8K436 L437 R486 F487 V490P434-K436 PolarHBondContact O-N 3Å; P434-K436 VanDerWaalsContact O-N 3.09Å; P434-L437 WeakPolarHBondContact O-CB 3.3Å; P434-L437 PolarHBondContact O-N 2.97Å; P434-R486 HydrophobicContact CG-CG 4.24Å; P434-R486 WeakPolarHBondContact CG-O 3.5Å; P434-F487 HydrophobicContact CB-CD1 4.07Å; P434-F487 HydrophobicContact CB-CE1 4.43Å; P434-F487 HydrophobicContact CG-CD1 4.17Å; P434-F487 HydrophobicContact CG-CE1 4.33Å; P434-V490 HydrophobicContact CB-CG2 3.75Å; P434-V490 WeakPolarHBondContact O-CG2 3.38Å
435E91.7Very high89.6Confident149 Ų14976.7 Ų76.770%0.69639%0.389SS*.G310 helixtrans-57.9-25.7178-62.7169.6-176.400113.4E433 L437 P439E433-E435 VanDerWaalsContact C-N 3.25Å; E433-E435 PolarHBondContact O-N 2.98Å; E435-L437 VanDerWaalsContact C-N 3.3Å; E435-P439 VanDerWaalsContact O-CD 3.24Å; E435-P439 WeakPolarHBondContact O-CD 3.35Å
436K93Very high87.6Confident132 Ų13279.1 Ų79.157%0.57440%0.4SS*.G310 helixtrans-80.3-11.4178.8-60.7-60.3-176.2-172.20113.4K432 E433 P434K432-K436 HydrophobicContact CB-CB 4.28Å; K432-K436 HydrophobicContact CD-CB 4.47Å; E433-K436 WeakPolarHBondContact O-CB 3.24Å; E433-K436 PolarHBondContact O-N 3.05Å; P434-K436 PolarHBondContact O-N 3Å; P434-K436 VanDerWaalsContact O-N 3.09Å
437L93.7Very high85.3Confident0 Ų077.5 Ų77.50%040%0.403CS..THydrogen-bonded Turntrans-87.2-22173.8-77.567.7000111.6L424 A427 I428 K432 P434 E435 I440 L441 M465 F487 V490L424-L437 HydrophobicContact CD2-CB 4.31Å; L424-L437 HydrophobicContact CD2-CD2 4.12Å; L424-L437 HydrophobicContact CD2-CG 4.14Å; A427-L437 HydrophobicContact CB-CD1 4.23Å; A427-L437 HydrophobicContact CB-CG 4.36Å; I428-L437 HydrophobicContact CD1-CD2 4.39Å; I428-L437 HydrophobicContact CG1-CD2 3.89Å; K432-L437 HydrophobicContact CB-CD1 4.24Å; P434-L437 WeakPolarHBondContact O-CB 3.3Å; P434-L437 PolarHBondContact O-N 2.97Å; E435-L437 VanDerWaalsContact C-N 3.3Å; L437-I440 WeakPolarHBondContact O-CB 3.28Å; L437-I440 PolarHBondContact O-N 2.89Å; L437-I440 VanDerWaalsContact O-N 3.17Å; L437-L441 PolarHBondContact O-N 3.45Å; L437-M465 HydrophobicContact CD2-CE 3.56Å; L437-M465 HydrophobicContact CD2-SD 4.1Å; L437-F487 HydrophobicContact CD1-CE1 3.78Å; L437-F487 HydrophobicContact CD2-CD1 3.74Å; L437-F487 HydrophobicContact CD2-CE1 3.55Å; L437-F487 HydrophobicContact CD2-CZ 4.34Å; L437-F487 HydrophobicContact CG-CE1 4.31Å; L437-V490 HydrophobicContact CB-CG1 4.46Å; L437-V490 HydrophobicContact CB-CG2 4.4Å
438L90.9Very high82.7Confident36 Ų3682.9 Ų82.919%0.18844%0.441CS..Hα-helixtrans-61.2-43.8179.3-64.4170.3000113I440 L441 F442 V490 Q493L438-I440 PolarHBondContact O-N 2.56Å; L438-L441 PolarHBondContact O-N 3.43Å; L438-F442 HydrophobicContact CD2-CD2 4.45Å; L438-F442 HydrophobicContact CD2-CE2 4.34Å; L438-F442 WeakPolarHBondContact O-CB 3.45Å; L438-F442 WeakPolarHBondContact O-CD2 3.43Å; L438-F442 PolarHBondContact O-N 2.81Å; L438-V490 HydrophobicContact CD2-CB 4.46Å; L438-V490 HydrophobicContact CD2-CG1 4.17Å; L438-V490 HydrophobicContact CD2-CG2 4.29Å; L438-V490 HydrophobicContact CG-CG2 4.42Å; L438-Q493 HydrophobicContact CD2-CB 4.29Å; L438-Q493 HydrophobicContact CD2-CG 4.33Å
439P91.1Very high80.1Confident79 Ų7990.5 Ų90.551%0.51348%0.477SS..Hα-helixtrans-67.3-23.7176.4-21.334.1000113.7E435 F442 P443E435-P439 VanDerWaalsContact O-CD 3.24Å; E435-P439 WeakPolarHBondContact O-CD 3.35Å; P439-F442 CarbonylContact O-C 3.42Å; P439-P443 WeakPolarHBondContact O-CA 3.43Å
440I91.5Very high77.4Confident22 Ų2292.5 Ų92.511%0.11349%0.493CS..Hα-helixtrans-72.7-42.2175.4-56.7173.6000109.3L420 E423 L424 A427 L437 L438L420-I440 HydrophobicContact CD1-CG2 3.75Å; E423-I440 HydrophobicContact CB-CG2 4.26Å; E423-I440 HydrophobicContact CG-CD1 4.22Å; E423-I440 HydrophobicContact CG-CG2 4Å; L424-I440 HydrophobicContact CD2-CB 4.33Å; L424-I440 HydrophobicContact CD2-CG2 3.99Å; L424-I440 HydrophobicContact CG-CG2 4.22Å; A427-I440 HydrophobicContact CB-CD1 3.95Å; L437-I440 WeakPolarHBondContact O-CB 3.28Å; L437-I440 PolarHBondContact O-N 2.89Å; L437-I440 VanDerWaalsContact O-N 3.17Å; L438-I440 PolarHBondContact O-N 2.56Å
441L90.7Very high74.8Confident0 Ų092.5 Ų92.50%050%0.5CS..Hα-helixtrans-76.5-30.2177.7-67.9164.2000112.6L420 L424 L437 L438 K461 V490 L494L420-L441 HydrophobicContact CD1-CD2 4.4Å; L420-L441 HydrophobicContact CD2-CD2 4.41Å; L424-L441 HydrophobicContact CD1-CD2 3.92Å; L424-L441 HydrophobicContact CD2-CD2 4.33Å; L424-L441 HydrophobicContact CD2-CG 4.24Å; L437-L441 PolarHBondContact O-N 3.45Å; L438-L441 PolarHBondContact O-N 3.43Å; L441-K461 HydrophobicContact CD2-CB 4.12Å; L441-K461 WeakPolarHBondContact O-CD 3.28Å; L441-K461 WeakPolarHBondContact O-CE 3.21Å; L441-K461 PolarHBondContact O-NZ 2.62Å; L441-V490 HydrophobicContact CD1-CG1 3.37Å; L441-L494 HydrophobicContact CD1-CD2 4.35Å; L441-L494 HydrophobicContact CD2-CD2 4.47Å
442F88Confident72.2Confident72 Ų7287.7 Ų87.732%0.31651%0.512SS..SBendtrans-131.673.3-176.7-55-73.6000110.1L438 P439 E444 L494L438-F442 HydrophobicContact CD2-CD2 4.45Å; L438-F442 HydrophobicContact CD2-CE2 4.34Å; L438-F442 WeakPolarHBondContact O-CB 3.45Å; L438-F442 WeakPolarHBondContact O-CD2 3.43Å; L438-F442 PolarHBondContact O-N 2.81Å; P439-F442 CarbonylContact O-C 3.42Å; F442-E444 PolarHBondContact O-N 3.3Å; F442-L494 HydrophobicContact CE1-CD1 4.18Å; F442-L494 HydrophobicContact CE2-CD1 4.14Å; F442-L494 HydrophobicContact CZ-CD1 3.47Å; F442-L494 VanDerWaalsContact CZ-CD1 3.47Å
443P80.7Confident70Confident58 Ų5885.7 Ų85.738%0.37752%0.517SS..  trans-63.1135.5179.215.3-19000111.3P439 G445 E446P439-P443 WeakPolarHBondContact O-CA 3.43Å; P443-G445 PolarHBondContact O-N 3.05Å; P443-G445 VanDerWaalsContact O-N 3.16Å; P443-E446 HydrophobicContact CG-CG 4.13Å
444E66.3Low68.1Low205 Ų20586.4 Ų86.496%0.95853%0.532SS*.THydrogen-bonded Turntrans-63.3115.7176.6-68.4-176.3172.200109.6F442F442-E444 PolarHBondContact O-N 3.3Å
445G59.8Low66.8Low67 Ų6789.6 Ų89.669%0.69155%0.551SS**THydrogen-bonded Turntrans123.40.117800000116.3P443 S447P443-G445 PolarHBondContact O-N 3.05Å; P443-G445 VanDerWaalsContact O-N 3.16Å; G445-S447 PolarHBondContact O-N 3Å
446E53.3Low66.2Low78 Ų7885.9 Ų85.936%0.36453%0.533SS..  trans-6915.2174.5-77.1-171.2157.600114.9P443 S448 K461P443-E446 HydrophobicContact CG-CG 4.13Å; E446-S448 PolarHBondContact O-N 3.36Å; E446-K461 IonicContact OE1-NZ 3.84Å; E446-K461 PolarHBondContact OE1-NZ 2.88Å; E446-K461 IonicContact OE2-NZ 2.7Å; E446-K461 PolarHBondContact OE2-NZ 3.46Å
447S45.6Very low66.1Low102 Ų10282.2 Ų82.271%0.71352%0.524SS*.SBendtrans-72.977.5167.451.40000110.6G445 E449G445-S447 PolarHBondContact O-N 3Å; S447-E449 VanDerWaalsContact C-N 3.28Å; S447-E449 PolarHBondContact O-N 3.48Å
448S41.7Very low66Low113 Ų11384.5 Ų84.579%0.7954%0.538SS*.SBendtrans24.518.6149.6-152.80000123.4E446E446-S448 PolarHBondContact O-N 3.36Å
449E41.6Very low66.2Low170 Ų17085.1 Ų85.179%0.79454%0.54SS*.SBendtrans-119.6-17.6-179.1-69.5-165.2166.600116.9S447S447-E449 VanDerWaalsContact C-N 3.28Å; S447-E449 PolarHBondContact O-N 3.48Å
450N37.5Very low66.3Low169 Ų16984.7 Ų84.790%0.90453%0.529SS*.SBendtrans-143.517.8-172-78.5-49000118.4
451G40.9Very low66.5Low68 Ų6884 Ų8470%0.70153%0.525SS*.  trans-130.3115.9176.400000112.7G453G451-G453 PolarHBondContact O-N 2.73Å
452G38.2Very low66.7Low96 Ų9684 Ų8499%0.9953%0.525SS*.  trans-76.925.9-174.600000116.6
453G47.5Very low67.1Low50 Ų5082.3 Ų82.352%0.51552%0.518SS..SBendtrans-96.2148.5172.500000111.1G451 V455G451-G453 PolarHBondContact O-N 2.73Å; G453-V455 PolarHBondContact O-N 3.42Å; G453-V455 VanDerWaalsContact O-N 3.17Å
454P54.2Low67.8Low128 Ų12879.5 Ų79.583%0.83150%0.5SS*.PPolyproline II helixtrans-62.6118.6172.125.9-30.7000109E456P454-E456 PolarHBondContact O-N 3.3Å
455V64.9Low69.2Low88 Ų8869.8 Ų69.853%0.53345%0.454SS..PPolyproline II helixtrans-63.5118.4172.5178.70000107.6G453 S457G453-V455 PolarHBondContact O-N 3.42Å; G453-V455 VanDerWaalsContact O-N 3.17Å; V455-S457 PolarHBondContact O-N 2.96Å
456E79.2Confident71Confident70 Ų7066.6 Ų66.633%0.32742%0.421SS..PPolyproline II helixtrans-64.8127.1179-68.7-177.2166.600109.8L420 P454 Y460 K461L420-E456 VanDerWaalsContact CD2-OE2 3.23Å; L420-E456 WeakPolarHBondContact CD2-OE2 3.4Å; P454-E456 PolarHBondContact O-N 3.3Å; E456-Y460 HydrophobicContact CB-CD1 3.92Å; E456-Y460 HydrophobicContact CB-CE1 4.45Å; E456-Y460 HydrophobicContact CG-CD1 4.04Å; E456-Y460 HydrophobicContact CG-CE1 4.09Å; E456-K461 HydrophobicContact CB-CG 4.38Å; E456-K461 VanDerWaalsContact O-CE 3.25Å; E456-K461 WeakPolarHBondContact O-CE 3.39Å
457S90.3Very high73Confident55 Ų5562.9 Ų62.939%0.38540%0.404SS..PPolyproline II helixtrans-70.1155.8-176.191.60000111.7V455 E459 Y460 K461V455-S457 PolarHBondContact O-N 2.96Å; S457-E459 WeakPolarHBondContact CB-OE2 3.43Å; S457-E459 PolarHBondContact O-N 3.47Å; S457-E459 PolarHBondContact OG-N 2.85Å; S457-E459 PolarHBondContact OG-OE2 3.02Å; S457-Y460 WeakPolarHBondContact O-CB 3.34Å; S457-Y460 PolarHBondContact O-N 2.94Å; S457-Y460 VanDerWaalsContact O-N 3.13Å; S457-Y460 PolarHBondContact OG-N 3.47Å; S457-K461 WeakPolarHBondContact O-CG 3.16Å; S457-K461 PolarHBondContact O-N 3.32Å
458T92.2Very high75.4Confident49 Ų4958 Ų5830%0.30137%0.37SS..Hα-helixtrans-58.6-35.4176.6-54.90000111.6K461 A462 L494 A501T458-K461 PolarHBondContact O-N 3.35Å; T458-A462 WeakPolarHBondContact O-CB 3.29Å; T458-A462 PolarHBondContact O-N 3.48Å; T458-L494 HydrophobicContact CG2-CD1 4.06Å; T458-L494 WeakPolarHBondContact CG2-O 3.47Å; T458-A501 HydrophobicContact CG2-CB 4.24Å
459E94.6Very high78Confident48 Ų4852.7 Ų52.722%0.22433%0.333CS..Hα-helixtrans-60.4-50.4174.4-6073-158.300110.9S457 K461 A462 E463 N498 N500 A501S457-E459 WeakPolarHBondContact CB-OE2 3.43Å; S457-E459 PolarHBondContact O-N 3.47Å; S457-E459 PolarHBondContact OG-N 2.85Å; S457-E459 PolarHBondContact OG-OE2 3.02Å; E459-K461 VanDerWaalsContact C-N 3.35Å; E459-K461 PolarHBondContact O-N 3.41Å; E459-A462 WeakPolarHBondContact O-CB 3.45Å; E459-A462 PolarHBondContact O-N 3.33Å; E459-A462 VanDerWaalsContact O-N 3.15Å; E459-E463 WeakPolarHBondContact O-CG 3.24Å; E459-E463 PolarHBondContact O-N 2.77Å; E459-N498 PolarHBondContact OE1-ND2 3.47Å; E459-N500 HydrophobicContact CG-CB 3.98Å; E459-A501 HydrophobicContact CG-CB 4.43Å
460Y93.7Very high80.7Confident70 Ų7044.6 Ų44.628%0.27530%0.295SS..Hα-helixtrans-58.4-46.7176.6176.9-97.6000111.8F410 S418 L420 E456 S457 A462 E463 V464F410-Y460 AromaticContact CE1-CE2 3.79Å; F410-Y460 HydrophobicContact CE1-CE2 3.79Å; S418-Y460 WeakPolarHBondContact CB-OH 3.48Å; S418-Y460 PolarHBondContact OG-OH 3.4Å; L420-Y460 HydrophobicContact CD2-CD1 4.46Å; L420-Y460 HydrophobicContact CD2-CE1 4.21Å; E456-Y460 HydrophobicContact CB-CD1 3.92Å; E456-Y460 HydrophobicContact CB-CE1 4.45Å; E456-Y460 HydrophobicContact CG-CD1 4.04Å; E456-Y460 HydrophobicContact CG-CE1 4.09Å; S457-Y460 WeakPolarHBondContact O-CB 3.34Å; S457-Y460 PolarHBondContact O-N 2.94Å; S457-Y460 VanDerWaalsContact O-N 3.13Å; S457-Y460 PolarHBondContact OG-N 3.47Å; Y460-A462 VanDerWaalsContact C-N 3.27Å; Y460-A462 PolarHBondContact O-N 3.01Å; Y460-E463 WeakPolarHBondContact O-CB 3.41Å; Y460-E463 PolarHBondContact O-N 3Å; Y460-E463 VanDerWaalsContact O-N 3.17Å; Y460-V464 HydrophobicContact CD1-CG2 4.07Å; Y460-V464 HydrophobicContact CE1-CG2 3.64Å; Y460-V464 HydrophobicContact CE2-CG2 4.15Å; Y460-V464 WeakPolarHBondContact O-CG2 3.15Å; Y460-V464 PolarHBondContact O-N 3.18Å
461K95Very high83.4Confident7 Ų737.3 Ų37.33%0.0326%0.256CS..Hα-helixtrans-58.7-39.9177.5-69.5171.4177.2-173.40111.4L420 L441 E446 E456 S457 T458 E459 M465 L494L420-K461 HydrophobicContact CD2-CB 4.49Å; L420-K461 HydrophobicContact CD2-CG 3.97Å; L441-K461 HydrophobicContact CD2-CB 4.12Å; L441-K461 WeakPolarHBondContact O-CD 3.28Å; L441-K461 WeakPolarHBondContact O-CE 3.21Å; L441-K461 PolarHBondContact O-NZ 2.62Å; E446-K461 IonicContact OE1-NZ 3.84Å; E446-K461 PolarHBondContact OE1-NZ 2.88Å; E446-K461 IonicContact OE2-NZ 2.7Å; E446-K461 PolarHBondContact OE2-NZ 3.46Å; E456-K461 HydrophobicContact CB-CG 4.38Å; E456-K461 VanDerWaalsContact O-CE 3.25Å; E456-K461 WeakPolarHBondContact O-CE 3.39Å; S457-K461 WeakPolarHBondContact O-CG 3.16Å; S457-K461 PolarHBondContact O-N 3.32Å; T458-K461 PolarHBondContact O-N 3.35Å; E459-K461 VanDerWaalsContact C-N 3.35Å; E459-K461 PolarHBondContact O-N 3.41Å; K461-M465 WeakPolarHBondContact O-CB 3.31Å; K461-M465 PolarHBondContact O-N 3.36Å; K461-L494 HydrophobicContact CB-CD1 3.89Å
462A95.7Very high86Confident0 Ų036.1 Ų36.10%023%0.234CC..Hα-helixtrans-64.7-43.7175.600000112.6T458 E459 Y460 M465 I466 L494 V495 A501 L505T458-A462 WeakPolarHBondContact O-CB 3.29Å; T458-A462 PolarHBondContact O-N 3.48Å; E459-A462 WeakPolarHBondContact O-CB 3.45Å; E459-A462 PolarHBondContact O-N 3.33Å; E459-A462 VanDerWaalsContact O-N 3.15Å; Y460-A462 VanDerWaalsContact C-N 3.27Å; Y460-A462 PolarHBondContact O-N 3.01Å; A462-M465 PolarHBondContact O-N 3.01Å; A462-I466 WeakPolarHBondContact O-CG2 3.33Å; A462-I466 PolarHBondContact O-N 3.42Å; A462-I466 VanDerWaalsContact O-N 3.1Å; A462-L494 VanDerWaalsContact CA-CD2 3.47Å; A462-L494 HydrophobicContact CB-CD2 4.02Å; A462-L494 HydrophobicContact CB-CG 4.15Å; A462-V495 HydrophobicContact CB-CG1 3.75Å; A462-A501 HydrophobicContact CB-CB 4.32Å; A462-L505 HydrophobicContact CB-CB 4.41Å
463E95.6Very high88.7Confident37 Ų3731.6 Ų31.617%0.17319%0.187CC..Hα-helixtrans-60.7-46.4175.9-67.1-176.7-176.100112.3K409 F410 E459 Y460 I466 S467 A508K409-E463 IonicContact NZ-OE2 2.66Å; K409-E463 PolarHBondContact NZ-OE2 3.48Å; F410-E463 HydrophobicContact CZ-CB 4.08Å; E459-E463 WeakPolarHBondContact O-CG 3.24Å; E459-E463 PolarHBondContact O-N 2.77Å; Y460-E463 WeakPolarHBondContact O-CB 3.41Å; Y460-E463 PolarHBondContact O-N 3Å; Y460-E463 VanDerWaalsContact O-N 3.17Å; E463-I466 WeakPolarHBondContact O-CG2 3.21Å; E463-S467 VanDerWaalsContact O-CB 3.26Å; E463-S467 WeakPolarHBondContact O-CB 3.42Å; E463-S467 PolarHBondContact O-N 2.69Å; E463-S467 VanDerWaalsContact O-N 3.08Å; E463-S467 PolarHBondContact O-OG 2.71Å; E463-A508 HydrophobicContact CB-CB 3.76Å; E463-A508 HydrophobicContact CG-CB 3.89Å
464V95.4Very high90.9Very high0 Ų033.1 Ų33.10%018%0.181CC..Hα-helixtrans-61.7-50.3178.8178.40000109.9F410 L420 A421 L424 Y460 I466 S467 Q468F410-V464 HydrophobicContact CD1-CG2 3.91Å; F410-V464 HydrophobicContact CE1-CG2 3.43Å; F410-V464 VanDerWaalsContact CE1-CG2 3.43Å; F410-V464 HydrophobicContact CE2-CB 4.37Å; F410-V464 HydrophobicContact CE2-CG2 4.1Å; F410-V464 HydrophobicContact CG-CG2 4.42Å; F410-V464 HydrophobicContact CZ-CB 4.2Å; F410-V464 HydrophobicContact CZ-CG2 3.51Å; L420-V464 HydrophobicContact CD2-CB 4.24Å; L420-V464 HydrophobicContact CD2-CG1 4.3Å; L420-V464 HydrophobicContact CD2-CG2 4.25Å; L420-V464 HydrophobicContact CG-CG1 4.15Å; A421-V464 HydrophobicContact CB-CG1 3.68Å; L424-V464 HydrophobicContact CD1-CG1 3.79Å; Y460-V464 HydrophobicContact CD1-CG2 4.07Å; Y460-V464 HydrophobicContact CE1-CG2 3.64Å; Y460-V464 HydrophobicContact CE2-CG2 4.15Å; Y460-V464 WeakPolarHBondContact O-CG2 3.15Å; Y460-V464 PolarHBondContact O-N 3.18Å; V464-I466 PolarHBondContact O-N 2.86Å; V464-S467 PolarHBondContact O-N 3.1Å; V464-Q468 HydrophobicContact CG1-CG 4.2Å; V464-Q468 WeakPolarHBondContact O-CG 3.27Å; V464-Q468 PolarHBondContact O-N 2.82Å
465M96.4Very high92.7Very high0 Ų036.6 Ų36.60%018%0.177CC..Hα-helixtrans-59.6-50.2-175.7-17658.2-173.900111.9L424 L437 K461 A462 S467 Q468 L469 F487 V490 L491 L494L424-M465 HydrophobicContact CD1-SD 4.3Å; L424-M465 HydrophobicContact CD2-SD 4.21Å; L437-M465 HydrophobicContact CD2-CE 3.56Å; L437-M465 HydrophobicContact CD2-SD 4.1Å; K461-M465 WeakPolarHBondContact O-CB 3.31Å; K461-M465 PolarHBondContact O-N 3.36Å; A462-M465 PolarHBondContact O-N 3.01Å; M465-S467 PolarHBondContact O-N 3.4Å; M465-Q468 PolarHBondContact O-N 2.93Å; M465-L469 HydrophobicContact CE-CD1 4.03Å; M465-L469 HydrophobicContact CE-CD2 4.02Å; M465-L469 HydrophobicContact CE-CG 4.09Å; M465-L469 WeakPolarHBondContact O-CG 3.31Å; M465-L469 PolarHBondContact O-N 3.15Å; M465-L469 VanDerWaalsContact O-N 3.14Å; M465-F487 HydrophobicContact CE-CB 3.78Å; M465-F487 HydrophobicContact CE-CD1 4.06Å; M465-F487 HydrophobicContact CE-CG 3.95Å; M465-V490 HydrophobicContact CE-CB 4.44Å; M465-V490 HydrophobicContact CE-CG1 4.07Å; M465-L491 HydrophobicContact CB-CD2 4.38Å; M465-L491 HydrophobicContact CG-CD2 3.73Å; M465-L494 HydrophobicContact CB-CD2 4.08Å
466I97.1Very high94Very high0 Ų035.1 Ų35.10%017%0.168CC..Hα-helixtrans-64.6-42.1179.9-168.361.2000111.4A462 E463 V464 Q468 L469 L470 L484 L505 A508 L527A462-I466 WeakPolarHBondContact O-CG2 3.33Å; A462-I466 PolarHBondContact O-N 3.42Å; A462-I466 VanDerWaalsContact O-N 3.1Å; E463-I466 WeakPolarHBondContact O-CG2 3.21Å; V464-I466 PolarHBondContact O-N 2.86Å; I466-Q468 VanDerWaalsContact C-N 3.34Å; I466-Q468 PolarHBondContact O-N 2.97Å; I466-L469 PolarHBondContact O-N 2.81Å; I466-L470 HydrophobicContact CG1-CD1 4.09Å; I466-L470 HydrophobicContact CG1-CG 4.39Å; I466-L470 VanDerWaalsContact O-CG 3.23Å; I466-L470 WeakPolarHBondContact O-CG 3.31Å; I466-L470 PolarHBondContact O-N 3.27Å; I466-L484 HydrophobicContact CD1-CD2 3.63Å; I466-L505 HydrophobicContact CB-CD1 4.44Å; I466-L505 HydrophobicContact CB-CD2 4.44Å; I466-L505 HydrophobicContact CB-CG 3.89Å; I466-L505 HydrophobicContact CD1-CD2 4.33Å; I466-L505 HydrophobicContact CG1-CD2 4.04Å; I466-L505 HydrophobicContact CG1-CG 4.05Å; I466-L505 HydrophobicContact CG2-CG 4Å; I466-A508 HydrophobicContact CG2-CB 3.57Å; I466-L527 HydrophobicContact CD1-CD2 4.49Å
467S96.3Very high94.7Very high0 Ų034 Ų340%016%0.164CC..Hα-helixtrans-61.7-43.7-179.5-570000111.1F410 E463 V464 M465 L469 L470 V471 T512F410-S467 WeakPolarHBondContact CE2-OG 3.29Å; E463-S467 VanDerWaalsContact O-CB 3.26Å; E463-S467 WeakPolarHBondContact O-CB 3.42Å; E463-S467 PolarHBondContact O-N 2.69Å; E463-S467 VanDerWaalsContact O-N 3.08Å; E463-S467 PolarHBondContact O-OG 2.71Å; V464-S467 PolarHBondContact O-N 3.1Å; M465-S467 PolarHBondContact O-N 3.4Å; S467-L469 PolarHBondContact O-N 2.92Å; S467-L470 PolarHBondContact O-N 2.92Å; S467-V471 WeakPolarHBondContact O-CB 3.49Å; S467-V471 VanDerWaalsContact O-CG2 3.23Å; S467-V471 WeakPolarHBondContact O-CG2 3.34Å; S467-V471 PolarHBondContact O-N 3.05Å; S467-T512 WeakPolarHBondContact CB-OG1 3.22Å; S467-T512 PolarHBondContact OG-OG1 2.78Å
468Q95.6Very high95Very high1 Ų135.9 Ų35.91%0.00518%0.177CC..Hα-helixtrans-65.8-37.5178.1-65.8-46.3-51.100112.7D408 A421 I428 V464 M465 I466 L470 L472D408-Q468 PolarHBondContact OD1-NE2 2.97Å; A421-Q468 HydrophobicContact CB-CG 4.27Å; I428-Q468 HydrophobicContact CD1-CB 4.37Å; V464-Q468 HydrophobicContact CG1-CG 4.2Å; V464-Q468 WeakPolarHBondContact O-CG 3.27Å; V464-Q468 PolarHBondContact O-N 2.82Å; M465-Q468 PolarHBondContact O-N 2.93Å; I466-Q468 VanDerWaalsContact C-N 3.34Å; I466-Q468 PolarHBondContact O-N 2.97Å; Q468-L470 VanDerWaalsContact C-N 3.33Å; Q468-L470 PolarHBondContact O-N 3.05Å; Q468-L472 WeakPolarHBondContact O-CB 3.45Å; Q468-L472 VanDerWaalsContact O-CG 3.23Å; Q468-L472 WeakPolarHBondContact O-CG 3.43Å; Q468-L472 PolarHBondContact O-N 3.24Å
469L97Very high95.2Very high1 Ų137.4 Ų37.41%0.00518%0.181CC..Hα-helixtrans-62.1-41.2173.3-67.4176.3000112I428 M465 I466 S467 G473 L483 L484 F487 L491I428-L469 HydrophobicContact CD1-CD2 3.93Å; M465-L469 HydrophobicContact CE-CD1 4.03Å; M465-L469 HydrophobicContact CE-CD2 4.02Å; M465-L469 HydrophobicContact CE-CG 4.09Å; M465-L469 WeakPolarHBondContact O-CG 3.31Å; M465-L469 PolarHBondContact O-N 3.15Å; M465-L469 VanDerWaalsContact O-N 3.14Å; I466-L469 PolarHBondContact O-N 2.81Å; S467-L469 PolarHBondContact O-N 2.92Å; L469-G473 PolarHBondContact O-N 3.19Å; L469-L483 HydrophobicContact CD2-CB 4.19Å; L469-L484 HydrophobicContact CD1-CD2 4.13Å; L469-F487 HydrophobicContact CD1-CB 4.19Å; L469-F487 HydrophobicContact CD2-CB 4.12Å; L469-F487 HydrophobicContact CD2-CD2 3.46Å; L469-F487 VanDerWaalsContact CD2-CD2 3.46Å; L469-F487 HydrophobicContact CD2-CE2 4.14Å; L469-F487 HydrophobicContact CD2-CG 3.98Å; L469-L491 HydrophobicContact CD1-CD1 3.96Å; L469-L491 HydrophobicContact CD1-CD2 4.41Å; L469-L491 HydrophobicContact CD1-CG 4.41Å
470L96.6Very high95.3Very high0 Ų035.1 Ų35.10%017%0.17CC..Hα-helixtrans-70.1-43.4-179.9-64.3172000112I466 S467 Q468 G473 Q474 T480 L509 T512 W513 V523I466-L470 HydrophobicContact CG1-CD1 4.09Å; I466-L470 HydrophobicContact CG1-CG 4.39Å; I466-L470 VanDerWaalsContact O-CG 3.23Å; I466-L470 WeakPolarHBondContact O-CG 3.31Å; I466-L470 PolarHBondContact O-N 3.27Å; S467-L470 PolarHBondContact O-N 2.92Å; Q468-L470 VanDerWaalsContact C-N 3.33Å; Q468-L470 PolarHBondContact O-N 3.05Å; L470-G473 PolarHBondContact O-N 3.16Å; L470-Q474 WeakPolarHBondContact O-CA 3.39Å; L470-Q474 PolarHBondContact O-N 2.9Å; L470-T480 HydrophobicContact CD2-CG2 3.83Å; L470-L509 HydrophobicContact CD1-CB 4.15Å; L470-L509 HydrophobicContact CD1-CD1 3.47Å; L470-L509 VanDerWaalsContact CD1-CD1 3.47Å; L470-L509 HydrophobicContact CD1-CG 4.42Å; L470-L509 HydrophobicContact CD2-CD1 3.94Å; L470-L509 HydrophobicContact CG-CD1 4.37Å; L470-T512 HydrophobicContact CB-CG2 3.76Å; L470-T512 HydrophobicContact CD1-CG2 4.07Å; L470-W513 HydrophobicContact CB-CZ2 4.03Å; L470-W513 HydrophobicContact CD2-CD2 4.43Å; L470-W513 HydrophobicContact CD2-CE3 4.15Å; L470-W513 HydrophobicContact CD2-CH2 3.6Å; L470-W513 HydrophobicContact CD2-CZ2 3.84Å; L470-W513 HydrophobicContact CD2-CZ3 3.75Å; L470-W513 HydrophobicContact CG-CZ2 4.49Å; L470-V523 HydrophobicContact CD2-CG1 4.33Å; L470-V523 HydrophobicContact CD2-CG2 4.13Å
471V95.6Very high95.5Very high15 Ų1534 Ų349%0.09117%0.169CC..Hα-helixtrans-62.2-44.1176.8170.70000110.9V406 D408 S467 Q474 T512V406-V471 HydrophobicContact CG1-CG2 3.97Å; D408-V471 HydrophobicContact CB-CG1 4.46Å; D408-V471 HydrophobicContact CB-CG2 3.74Å; S467-V471 WeakPolarHBondContact O-CB 3.49Å; S467-V471 VanDerWaalsContact O-CG2 3.23Å; S467-V471 WeakPolarHBondContact O-CG2 3.34Å; S467-V471 PolarHBondContact O-N 3.05Å; V471-Q474 WeakPolarHBondContact O-CG 3.29Å; V471-Q474 PolarHBondContact O-NE2 3.28Å; V471-T512 HydrophobicContact CG2-CG2 4.03Å
472L95.6Very high95.6Very high44 Ų4437.4 Ų37.423%0.2319%0.193CC..Hα-helixtrans-72.7-31.7177.8-67.7174.9000112.9Q425 I428 K429 Q468 L483Q425-L472 HydrophobicContact CG-CD1 3.98Å; Q425-L472 HydrophobicContact CG-CD2 3.77Å; Q425-L472 HydrophobicContact CG-CG 4.1Å; I428-L472 HydrophobicContact CB-CD1 3.52Å; I428-L472 HydrophobicContact CD1-CD1 3.98Å; I428-L472 HydrophobicContact CG1-CD1 4.37Å; I428-L472 HydrophobicContact CG2-CD1 3.38Å; K429-L472 HydrophobicContact CD-CD2 4.22Å; K429-L472 HydrophobicContact CG-CD2 3.8Å; Q468-L472 WeakPolarHBondContact O-CB 3.45Å; Q468-L472 VanDerWaalsContact O-CG 3.23Å; Q468-L472 WeakPolarHBondContact O-CG 3.43Å; Q468-L472 PolarHBondContact O-N 3.24Å; L472-L483 HydrophobicContact CB-CD1 4.06Å
473G94.6Very high95.7Very high0 Ų039 Ų390%020%0.201CC..Hα-helixtrans-83.6-6179.300000115.3L469 L470 R475 T476 T480L469-G473 PolarHBondContact O-N 3.19Å; L470-G473 PolarHBondContact O-N 3.16Å; G473-R475 PolarHBondContact O-N 3.19Å; G473-T476 VanDerWaalsContact O-O 3.12Å; G473-T480 PolarHBondContact O-OG1 3.35Å; G473-T480 VanDerWaalsContact O-OG1 3.07Å
474Q93.4Very high95.8Very high82 Ų8237.2 Ų37.238%0.38319%0.193SC..THydrogen-bonded Turntrans-58.3-21.8-16266.8-177.2-57.100117.1V406 L470 V471 T476 R519V406-Q474 HydrophobicContact CG2-CB 3.76Å; V406-Q474 HydrophobicContact CG2-CG 4.46Å; L470-Q474 WeakPolarHBondContact O-CA 3.39Å; L470-Q474 PolarHBondContact O-N 2.9Å; V471-Q474 WeakPolarHBondContact O-CG 3.29Å; V471-Q474 PolarHBondContact O-NE2 3.28Å; Q474-T476 PolarHBondContact O-N 3.25Å; Q474-R519 PolarHBondContact O-NH1 3.15Å
475R91.5Very high95.9Very high201 Ų20140.4 Ų40.476%0.75821%0.213SC*.THydrogen-bonded Turntrans-66.2-38.8-171.9-175-174.8177.6175-0.1112.5G473G473-R475 PolarHBondContact O-N 3.19Å
476T93.2Very high95.9Very high57 Ų5744 Ų4435%0.3523%0.227SC..  trans-147.1151.2178.162.90000110.5G473 Q474 S478 Q479 T480G473-T476 VanDerWaalsContact O-O 3.12Å; Q474-T476 PolarHBondContact O-N 3.25Å; T476-S478 PolarHBondContact O-N 2.91Å; T476-Q479 PolarHBondContact O-N 3.42Å; T476-Q479 VanDerWaalsContact O-N 3.09Å; T476-Q479 VanDerWaalsContact OG1-CG 3.31Å; T476-Q479 WeakPolarHBondContact OG1-CG 3.47Å; T476-Q479 PolarHBondContact OG1-N 3.26Å; T476-T480 PolarHBondContact O-N 3.33Å
477M93.5Very high96Very high47 Ų4744 Ų4423%0.23223%0.227CC..Hα-helixtrans-59.2-37.5177.5-171.250.76100112.4Q479 T480 L481 R519 V522M477-Q479 VanDerWaalsContact C-N 3.28Å; M477-Q479 PolarHBondContact O-N 3.4Å; M477-T480 PolarHBondContact O-N 3.1Å; M477-L481 HydrophobicContact CG-CD1 3.95Å; M477-L481 HydrophobicContact CG-CG 4.19Å; M477-L481 WeakPolarHBondContact O-CB 3.42Å; M477-L481 VanDerWaalsContact O-CG 3.29Å; M477-L481 WeakPolarHBondContact O-CG 3.45Å; M477-L481 PolarHBondContact O-N 3.41Å; M477-L481 HydrophobicContact SD-CD1 4.47Å; M477-L481 HydrophobicContact SD-CG 4.14Å; M477-R519 HydrophobicContact CE-CB 3.48Å; M477-R519 VanDerWaalsContact CE-CB 3.48Å; M477-R519 HydrophobicContact CE-CG 3.33Å; M477-V522 HydrophobicContact CE-CB 4.41Å; M477-V522 HydrophobicContact CE-CG1 4.43Å; M477-V522 HydrophobicContact CG-CG1 3.9Å; M477-V522 HydrophobicContact SD-CB 4.15Å; M477-V522 HydrophobicContact SD-CG1 3.58Å; M477-V522 VanDerWaalsContact SD-CG1 3.58Å
478S96.4Very high96Very high94 Ų9444.7 Ų44.766%0.65723%0.232SC*.Hα-helixtrans-59.8-37.1176.8-53.40000112.8T476 S482T476-S478 PolarHBondContact O-N 2.91Å; S478-S482 WeakPolarHBondContact O-CB 3.26Å; S478-S482 PolarHBondContact O-N 2.96Å
479Q96.2Very high96.1Very high81 Ų8148.4 Ų48.438%0.37926%0.256SS..Hα-helixtrans-69-45.9176.7-75.6178.2-4.800111.7T476 M477 L481 S482 L483T476-Q479 PolarHBondContact O-N 3.42Å; T476-Q479 VanDerWaalsContact O-N 3.09Å; T476-Q479 VanDerWaalsContact OG1-CG 3.31Å; T476-Q479 WeakPolarHBondContact OG1-CG 3.47Å; T476-Q479 PolarHBondContact OG1-N 3.26Å; M477-Q479 VanDerWaalsContact C-N 3.28Å; M477-Q479 PolarHBondContact O-N 3.4Å; Q479-L481 PolarHBondContact O-N 3.21Å; Q479-S482 PolarHBondContact O-N 2.89Å; Q479-L483 PolarHBondContact O-N 3.01Å
480T97.1Very high96.1Very high0 Ų048.4 Ų48.40%026%0.256CS..Hα-helixtrans-55-51.5172.8-56.10000111.1L470 G473 T476 M477 S482 L483 L484 W513 V523L470-T480 HydrophobicContact CD2-CG2 3.83Å; G473-T480 PolarHBondContact O-OG1 3.35Å; G473-T480 VanDerWaalsContact O-OG1 3.07Å; T476-T480 PolarHBondContact O-N 3.33Å; M477-T480 PolarHBondContact O-N 3.1Å; T480-S482 VanDerWaalsContact C-N 3.29Å; T480-S482 PolarHBondContact O-N 3.13Å; T480-L483 PolarHBondContact O-N 3.28Å; T480-L483 VanDerWaalsContact O-N 3.17Å; T480-L484 HydrophobicContact CG2-CD1 3.92Å; T480-L484 HydrophobicContact CG2-CG 4.3Å; T480-L484 WeakPolarHBondContact O-CG 3.45Å; T480-L484 PolarHBondContact O-N 2.95Å; T480-W513 HydrophobicContact CG2-CH2 3.67Å; T480-W513 HydrophobicContact CG2-CZ2 4.42Å; T480-W513 HydrophobicContact CG2-CZ3 4.47Å; T480-V523 HydrophobicContact CG2-CG2 3.93Å
481L97.5Very high96.1Very high47 Ų4748.4 Ų48.425%0.24626%0.256CS..Hα-helixtrans-63.4-34.9-177.6-67.7176.2000112.7M477 Q479 T485 V522 K526M477-L481 HydrophobicContact CG-CD1 3.95Å; M477-L481 HydrophobicContact CG-CG 4.19Å; M477-L481 WeakPolarHBondContact O-CB 3.42Å; M477-L481 VanDerWaalsContact O-CG 3.29Å; M477-L481 WeakPolarHBondContact O-CG 3.45Å; M477-L481 PolarHBondContact O-N 3.41Å; M477-L481 HydrophobicContact SD-CD1 4.47Å; M477-L481 HydrophobicContact SD-CG 4.14Å; Q479-L481 PolarHBondContact O-N 3.21Å; L481-T485 WeakPolarHBondContact O-CB 3.24Å; L481-T485 PolarHBondContact O-N 3.05Å; L481-T485 PolarHBondContact O-OG1 3.41Å; L481-V522 HydrophobicContact CD1-CG1 4.29Å; L481-V522 HydrophobicContact CD2-CG1 4.05Å; L481-K526 HydrophobicContact CD2-CB 3.7Å; L481-K526 HydrophobicContact CD2-CD 4.09Å; L481-K526 HydrophobicContact CD2-CG 3.64Å
482S97.2Very high96.1Very high79 Ų7950 Ų5055%0.55226%0.264SS*.Hα-helixtrans-66.4-43.3174.6-175.90000111.8S478 Q479 T480 T485 R486S478-S482 WeakPolarHBondContact O-CB 3.26Å; S478-S482 PolarHBondContact O-N 2.96Å; Q479-S482 PolarHBondContact O-N 2.89Å; T480-S482 VanDerWaalsContact C-N 3.29Å; T480-S482 PolarHBondContact O-N 3.13Å; S482-T485 PolarHBondContact O-N 3.32Å; S482-R486 WeakPolarHBondContact O-CB 3.18Å; S482-R486 PolarHBondContact O-N 2.89Å
483L97.6Very high96.1Very high32 Ų3253.2 Ų53.217%0.16828%0.278CS..Hα-helixtrans-65.3-45.8177.5-74.9174.3000111.1I428 L469 L472 Q479 T480 T485 R486 F487I428-L483 HydrophobicContact CG2-CD2 4.02Å; L469-L483 HydrophobicContact CD2-CB 4.19Å; L472-L483 HydrophobicContact CB-CD1 4.06Å; Q479-L483 PolarHBondContact O-N 3.01Å; T480-L483 PolarHBondContact O-N 3.28Å; T480-L483 VanDerWaalsContact O-N 3.17Å; L483-T485 VanDerWaalsContact C-N 3.3Å; L483-T485 PolarHBondContact O-N 3.42Å; L483-R486 PolarHBondContact O-N 3.38Å; L483-F487 HydrophobicContact CD2-CD2 4.41Å; L483-F487 HydrophobicContact CD2-CE2 4.01Å; L483-F487 WeakPolarHBondContact O-CD2 3.36Å; L483-F487 PolarHBondContact O-N 3.43Å
484L97.8Very high96Very high0 Ų053.4 Ų53.40%028%0.279CS..Hα-helixtrans-58.2-42.6175.9-70.1172.9000112I466 L469 T480 A488 L491 V523 K526 L527I466-L484 HydrophobicContact CD1-CD2 3.63Å; L469-L484 HydrophobicContact CD1-CD2 4.13Å; T480-L484 HydrophobicContact CG2-CD1 3.92Å; T480-L484 HydrophobicContact CG2-CG 4.3Å; T480-L484 WeakPolarHBondContact O-CG 3.45Å; T480-L484 PolarHBondContact O-N 2.95Å; L484-A488 WeakPolarHBondContact O-CA 3.27Å; L484-A488 WeakPolarHBondContact O-CB 3.34Å; L484-A488 PolarHBondContact O-N 3.09Å; L484-L491 HydrophobicContact CD2-CD1 4.26Å; L484-V523 HydrophobicContact CD1-CB 4.41Å; L484-V523 HydrophobicContact CD1-CG1 3.82Å; L484-V523 HydrophobicContact CD1-CG2 4.03Å; L484-K526 HydrophobicContact CB-CG 4.42Å; L484-K526 HydrophobicContact CD1-CB 4.46Å; L484-K526 HydrophobicContact CD1-CG 4.22Å; L484-L527 HydrophobicContact CD2-CD2 4.29Å
485T97.7Very high96.2Very high67 Ų6749.5 Ų49.541%0.41126%0.261SS..Hα-helixtrans-67-41.7178.1-53.10000111.3L481 S482 L483 K526L481-T485 WeakPolarHBondContact O-CB 3.24Å; L481-T485 PolarHBondContact O-N 3.05Å; L481-T485 PolarHBondContact O-OG1 3.41Å; S482-T485 PolarHBondContact O-N 3.32Å; L483-T485 VanDerWaalsContact C-N 3.3Å; L483-T485 PolarHBondContact O-N 3.42Å; T485-K526 WeakPolarHBondContact OG1-CE 3.25Å; T485-K526 PolarHBondContact OG1-NZ 2.77Å
486R97.3Very high96.2Very high77 Ų7745.5 Ų45.529%0.29125%0.249SC..Hα-helixtrans-63.9-43.4180-176.7177.3-172.8-167.71.5112.2R431 K432 E433 P434 S482 L483R431-R486 PolarHBondContact O-NH1 3.46Å; R431-R486 PolarHBondContact O-NH2 3.38Å; K432-R486 PolarHBondContact O-NH2 3.47Å; E433-R486 IonicContact OE1-NH2 3.69Å; E433-R486 IonicContact OE2-NH2 3.37Å; E433-R486 PolarHBondContact OE2-NH2 3.14Å; P434-R486 HydrophobicContact CG-CG 4.24Å; P434-R486 WeakPolarHBondContact CG-O 3.5Å; S482-R486 WeakPolarHBondContact O-CB 3.18Å; S482-R486 PolarHBondContact O-N 2.89Å; L483-R486 PolarHBondContact O-N 3.38Å
487F97.5Very high96.1Very high0 Ų050.2 Ų50.20%027%0.272CS..THydrogen-bonded Turntrans-98.511.3-175.6-65.2-75.4000113.5I428 P434 L437 M465 L469 L483 P489 V490 L491I428-F487 HydrophobicContact CG1-CE2 4.24Å; I428-F487 HydrophobicContact CG1-CZ 4.05Å; I428-F487 HydrophobicContact CG2-CE2 3.93Å; I428-F487 HydrophobicContact CG2-CZ 4.25Å; P434-F487 HydrophobicContact CB-CD1 4.07Å; P434-F487 HydrophobicContact CB-CE1 4.43Å; P434-F487 HydrophobicContact CG-CD1 4.17Å; P434-F487 HydrophobicContact CG-CE1 4.33Å; L437-F487 HydrophobicContact CD1-CE1 3.78Å; L437-F487 HydrophobicContact CD2-CD1 3.74Å; L437-F487 HydrophobicContact CD2-CE1 3.55Å; L437-F487 HydrophobicContact CD2-CZ 4.34Å; L437-F487 HydrophobicContact CG-CE1 4.31Å; M465-F487 HydrophobicContact CE-CB 3.78Å; M465-F487 HydrophobicContact CE-CD1 4.06Å; M465-F487 HydrophobicContact CE-CG 3.95Å; L469-F487 HydrophobicContact CD1-CB 4.19Å; L469-F487 HydrophobicContact CD2-CB 4.12Å; L469-F487 HydrophobicContact CD2-CD2 3.46Å; L469-F487 VanDerWaalsContact CD2-CD2 3.46Å; L469-F487 HydrophobicContact CD2-CE2 4.14Å; L469-F487 HydrophobicContact CD2-CG 3.98Å; L483-F487 HydrophobicContact CD2-CD2 4.41Å; L483-F487 HydrophobicContact CD2-CE2 4.01Å; L483-F487 WeakPolarHBondContact O-CD2 3.36Å; L483-F487 PolarHBondContact O-N 3.43Å; F487-P489 VanDerWaalsContact C-N 3.32Å; F487-V490 HydrophobicContact CD1-CG2 4.44Å; F487-V490 WeakPolarHBondContact O-CB 3.15Å; F487-V490 PolarHBondContact O-N 2.95Å; F487-V490 VanDerWaalsContact O-N 3.07Å; F487-L491 PolarHBondContact O-N 3.42Å; F487-L491 VanDerWaalsContact O-N 3.08Å
488A97.3Very high96.2Very high13 Ų1349.8 Ų49.811%0.10727%0.271CS..Hα-helixtrans-52.1-41.6174.700000113.5L484 V490 L491 D492 L530 I532L484-A488 WeakPolarHBondContact O-CA 3.27Å; L484-A488 WeakPolarHBondContact O-CB 3.34Å; L484-A488 PolarHBondContact O-N 3.09Å; A488-V490 VanDerWaalsContact C-N 3.29Å; A488-V490 PolarHBondContact O-N 3.23Å; A488-L491 PolarHBondContact O-N 3.28Å; A488-D492 PolarHBondContact O-N 2.88Å; A488-L530 HydrophobicContact CB-CD1 3.97Å; A488-L530 HydrophobicContact CB-CD2 4.2Å; A488-L530 HydrophobicContact CB-CG 4.5Å; A488-I532 HydrophobicContact CB-CD1 4.14Å
489P96.6Very high96.2Very high80 Ų8049.9 Ų49.952%0.51926%0.261SS..Hα-helixtrans-62.1-35.5177.7-23.435000113.5F487 Q493F487-P489 VanDerWaalsContact C-N 3.32Å; P489-Q493 WeakPolarHBondContact O-CB 3.44Å; P489-Q493 PolarHBondContact O-N 3.25Å
490V97Very high96.2Very high1 Ų150.8 Ų50.81%0.00627%0.268CS..Hα-helixtrans-70.2-43.4177.9177.10000110.1P434 L437 L438 L441 M465 F487 A488 L494P434-V490 HydrophobicContact CB-CG2 3.75Å; P434-V490 WeakPolarHBondContact O-CG2 3.38Å; L437-V490 HydrophobicContact CB-CG1 4.46Å; L437-V490 HydrophobicContact CB-CG2 4.4Å; L438-V490 HydrophobicContact CD2-CB 4.46Å; L438-V490 HydrophobicContact CD2-CG1 4.17Å; L438-V490 HydrophobicContact CD2-CG2 4.29Å; L438-V490 HydrophobicContact CG-CG2 4.42Å; L441-V490 HydrophobicContact CD1-CG1 3.37Å; M465-V490 HydrophobicContact CE-CB 4.44Å; M465-V490 HydrophobicContact CE-CG1 4.07Å; F487-V490 HydrophobicContact CD1-CG2 4.44Å; F487-V490 WeakPolarHBondContact O-CB 3.15Å; F487-V490 PolarHBondContact O-N 2.95Å; F487-V490 VanDerWaalsContact O-N 3.07Å; A488-V490 VanDerWaalsContact C-N 3.29Å; A488-V490 PolarHBondContact O-N 3.23Å; V490-L494 VanDerWaalsContact O-CB 3.22Å; V490-L494 WeakPolarHBondContact O-CB 3.29Å; V490-L494 PolarHBondContact O-N 3Å
491L97.3Very high96.2Very high0 Ų050.8 Ų50.80%027%0.268CS..Hα-helixtrans-63.4-45.9176.3-67.3174.4000111.4M465 L469 L484 F487 A488 L494 V495 L505 L527 I532M465-L491 HydrophobicContact CB-CD2 4.38Å; M465-L491 HydrophobicContact CG-CD2 3.73Å; L469-L491 HydrophobicContact CD1-CD1 3.96Å; L469-L491 HydrophobicContact CD1-CD2 4.41Å; L469-L491 HydrophobicContact CD1-CG 4.41Å; L484-L491 HydrophobicContact CD2-CD1 4.26Å; F487-L491 PolarHBondContact O-N 3.42Å; F487-L491 VanDerWaalsContact O-N 3.08Å; A488-L491 PolarHBondContact O-N 3.28Å; L491-L494 PolarHBondContact O-N 3.38Å; L491-V495 WeakPolarHBondContact O-CG2 3.36Å; L491-V495 PolarHBondContact O-N 2.98Å; L491-L505 HydrophobicContact CD2-CD1 4.08Å; L491-L527 HydrophobicContact CD1-CD2 4.3Å; L491-I532 HydrophobicContact CB-CD1 3.83Å; L491-I532 HydrophobicContact CB-CG1 4.27Å; L491-I532 HydrophobicContact CB-CG2 4.02Å; L491-I532 HydrophobicContact CD1-CD1 3.84Å
492D96.1Very high96.2Very high47 Ų4749.2 Ų49.225%0.25126%0.259SS..Hα-helixtrans-56-54.2176.2-175.757.1000110.2A488 L494 V495 K496A488-D492 PolarHBondContact O-N 2.88Å; D492-L494 PolarHBondContact O-N 3.34Å; D492-L494 VanDerWaalsContact O-N 3.14Å; D492-V495 PolarHBondContact O-N 2.91Å; D492-K496 WeakPolarHBondContact O-CA 3.44Å; D492-K496 WeakPolarHBondContact O-CB 3.38Å; D492-K496 PolarHBondContact O-N 2.92Å; D492-K496 IonicContact OD1-NZ 3.34Å; D492-K496 IonicContact OD2-NZ 3.89Å; D492-K496 PolarHBondContact OD2-NZ 2.85Å
493Q94.6Very high96.2Very high113 Ų11347.2 Ų47.253%0.52824%0.242SC..Hα-helixtrans-60.5-30.7-179.4-171.6169.9-1.400113.5L438 P489L438-Q493 HydrophobicContact CD2-CB 4.29Å; L438-Q493 HydrophobicContact CD2-CG 4.33Å; P489-Q493 WeakPolarHBondContact O-CB 3.44Å; P489-Q493 PolarHBondContact O-N 3.25Å
494L94Very high96.2Very high4 Ų446.6 Ų46.62%0.02124%0.241CC..Hα-helixtrans-75.5-38.8-178.8-174.759.5000113.1L441 F442 T458 K461 A462 M465 V490 L491 D492L441-L494 HydrophobicContact CD1-CD2 4.35Å; L441-L494 HydrophobicContact CD2-CD2 4.47Å; F442-L494 HydrophobicContact CE1-CD1 4.18Å; F442-L494 HydrophobicContact CE2-CD1 4.14Å; F442-L494 HydrophobicContact CZ-CD1 3.47Å; F442-L494 VanDerWaalsContact CZ-CD1 3.47Å; T458-L494 HydrophobicContact CG2-CD1 4.06Å; T458-L494 WeakPolarHBondContact CG2-O 3.47Å; K461-L494 HydrophobicContact CB-CD1 3.89Å; A462-L494 VanDerWaalsContact CA-CD2 3.47Å; A462-L494 HydrophobicContact CB-CD2 4.02Å; A462-L494 HydrophobicContact CB-CG 4.15Å; M465-L494 HydrophobicContact CB-CD2 4.08Å; V490-L494 VanDerWaalsContact O-CB 3.22Å; V490-L494 WeakPolarHBondContact O-CB 3.29Å; V490-L494 PolarHBondContact O-N 3Å; L491-L494 PolarHBondContact O-N 3.38Å; D492-L494 PolarHBondContact O-N 3.34Å; D492-L494 VanDerWaalsContact O-N 3.14Å
495V96.2Very high96.2Very high0 Ų046.6 Ų46.60%024%0.241CC..Hα-helixtrans-114.1-9.3-171.1-48.80000114.4A462 L491 D492 N497 N498 A501 Q502 L505 I532A462-V495 HydrophobicContact CB-CG1 3.75Å; L491-V495 WeakPolarHBondContact O-CG2 3.36Å; L491-V495 PolarHBondContact O-N 2.98Å; D492-V495 PolarHBondContact O-N 2.91Å; V495-N497 PolarHBondContact O-N 2.94Å; V495-N498 PolarHBondContact O-N 3.24Å; V495-A501 HydrophobicContact CB-CB 4.17Å; V495-A501 HydrophobicContact CG1-CB 4.06Å; V495-Q502 HydrophobicContact CB-CG 3.71Å; V495-Q502 HydrophobicContact CG2-CG 3.61Å; V495-L505 HydrophobicContact CG1-CD1 3.93Å; V495-I532 HydrophobicContact CG2-CG2 3.76Å
496K92.4Very high96.3Very high116 Ų11643.4 Ų43.450%0.50422%0.221SC..THydrogen-bonded Turntrans-56.8129.5-178-178.5177.2-141.3141.70111.1D492 N498D492-K496 WeakPolarHBondContact O-CA 3.44Å; D492-K496 WeakPolarHBondContact O-CB 3.38Å; D492-K496 PolarHBondContact O-N 2.92Å; D492-K496 IonicContact OD1-NZ 3.34Å; D492-K496 IonicContact OD2-NZ 3.89Å; D492-K496 PolarHBondContact OD2-NZ 2.85Å; K496-N498 PolarHBondContact O-N 3.27Å; K496-N498 VanDerWaalsContact O-N 3.17Å
497N90.5Very high96.3Very high157 Ų15740.8 Ų40.884%0.8421%0.213SC*.THydrogen-bonded Turntrans59.814.2-176-52.3-36.4000115.1V495V495-N497 PolarHBondContact O-N 2.94Å
498N95.6Very high96.2Very high38 Ų3840.8 Ų40.820%0.20321%0.213CC..  trans-118.494.8171.1-175.2-16.5000109.9E459 V495 K496 N500 A501 Q502E459-N498 PolarHBondContact OE1-ND2 3.47Å; V495-N498 PolarHBondContact O-N 3.24Å; K496-N498 PolarHBondContact O-N 3.27Å; K496-N498 VanDerWaalsContact O-N 3.17Å; N498-N500 VanDerWaalsContact C-N 3.28Å; N498-N500 PolarHBondContact O-N 3.21Å; N498-N500 WeakPolarHBondContact OD1-CB 3.28Å; N498-N500 PolarHBondContact OD1-N 2.75Å; N498-N500 VanDerWaalsContact OD1-N 3.08Å; N498-A501 HydrophobicContact CB-CB 3.91Å; N498-A501 PolarHBondContact O-N 2.82Å; N498-A501 PolarHBondContact OD1-N 3.38Å; N498-Q502 WeakPolarHBondContact O-CG 3.3Å; N498-Q502 PolarHBondContact O-N 3.21Å
499E96.2Very high96.2Very high95 Ų9540.2 Ų40.244%0.44421%0.208SC..Hα-helixtrans-58.2-39.1179-60.9-161.6146.100112.3A501 Q502 L503 I537 K540E499-A501 VanDerWaalsContact C-N 3.35Å; E499-A501 PolarHBondContact O-N 2.96Å; E499-Q502 PolarHBondContact O-N 2.91Å; E499-L503 WeakPolarHBondContact O-CG 3.26Å; E499-L503 PolarHBondContact O-N 2.91Å; E499-I537 HydrophobicContact CB-CD1 3.8Å; E499-I537 HydrophobicContact CG-CD1 3.63Å; E499-K540 IonicContact OE1-NZ 3.94Å; E499-K540 PolarHBondContact OE1-NZ 3.47Å; E499-K540 IonicContact OE2-NZ 3.75Å; E499-K540 PolarHBondContact OE2-NZ 3.27Å
500N96.8Very high96.1Very high100 Ų10037.9 Ų37.954%0.53519%0.189SC..Hα-helixtrans-65.6-39.7-179.8-67.3-26.4000111.2E459 N498 L503 S504E459-N500 HydrophobicContact CG-CB 3.98Å; N498-N500 VanDerWaalsContact C-N 3.28Å; N498-N500 PolarHBondContact O-N 3.21Å; N498-N500 WeakPolarHBondContact OD1-CB 3.28Å; N498-N500 PolarHBondContact OD1-N 2.75Å; N498-N500 VanDerWaalsContact OD1-N 3.08Å; N500-L503 PolarHBondContact O-N 3.4Å; N500-S504 WeakPolarHBondContact O-CB 3.31Å; N500-S504 PolarHBondContact O-N 3.25Å; N500-S504 PolarHBondContact O-OG 3.3Å
501A97.1Very high96Very high0 Ų041.6 Ų41.60%021%0.206CC..Hα-helixtrans-67.5-37.2175.500000111.7T458 E459 A462 V495 N498 E499 S504 L505T458-A501 HydrophobicContact CG2-CB 4.24Å; E459-A501 HydrophobicContact CG-CB 4.43Å; A462-A501 HydrophobicContact CB-CB 4.32Å; V495-A501 HydrophobicContact CB-CB 4.17Å; V495-A501 HydrophobicContact CG1-CB 4.06Å; N498-A501 HydrophobicContact CB-CB 3.91Å; N498-A501 PolarHBondContact O-N 2.82Å; N498-A501 PolarHBondContact OD1-N 3.38Å; E499-A501 VanDerWaalsContact C-N 3.35Å; E499-A501 PolarHBondContact O-N 2.96Å; A501-S504 PolarHBondContact O-N 2.88Å; A501-L505 VanDerWaalsContact O-CB 3.3Å; A501-L505 WeakPolarHBondContact O-CB 3.36Å; A501-L505 PolarHBondContact O-N 3.49Å
502Q97.9Very high95.9Very high14 Ų1441.7 Ų41.77%0.06521%0.207CC..Hα-helixtrans-65.5-41.8174-67.8173.3-35.400112.1V495 N498 E499 L505 L506 I532 I537V495-Q502 HydrophobicContact CB-CG 3.71Å; V495-Q502 HydrophobicContact CG2-CG 3.61Å; N498-Q502 WeakPolarHBondContact O-CG 3.3Å; N498-Q502 PolarHBondContact O-N 3.21Å; E499-Q502 PolarHBondContact O-N 2.91Å; Q502-L505 PolarHBondContact O-N 2.86Å; Q502-L506 WeakPolarHBondContact O-CG 3.43Å; Q502-L506 PolarHBondContact O-N 3.29Å; Q502-L506 VanDerWaalsContact O-N 3.14Å; Q502-I532 PolarHBondContact NE2-O 3.44Å; Q502-I537 HydrophobicContact CB-CG2 3.8Å
503L97.9Very high95.9Very high37 Ų3739.4 Ų39.419%0.19420%0.195CC..Hα-helixtrans-64.1-44.5174.2-71.6172.4000111.5E499 N500 L505 L506 N507 I537 K540 W541E499-L503 WeakPolarHBondContact O-CG 3.26Å; E499-L503 PolarHBondContact O-N 2.91Å; N500-L503 PolarHBondContact O-N 3.4Å; L503-L505 VanDerWaalsContact C-N 3.31Å; L503-L505 PolarHBondContact O-N 2.9Å; L503-L506 PolarHBondContact O-N 3.39Å; L503-L506 VanDerWaalsContact O-N 3.16Å; L503-N507 PolarHBondContact O-N 3.48Å; L503-N507 PolarHBondContact O-ND2 3.39Å; L503-I537 HydrophobicContact CD2-CG2 3.89Å; L503-I537 HydrophobicContact CG-CG2 4.15Å; L503-K540 HydrophobicContact CD2-CB 4.16Å; L503-W541 HydrophobicContact CD2-CB 3.81Å
504S97.2Very high95.7Very high19 Ų1936.5 Ų36.513%0.13319%0.185CC..Hα-helixtrans-62.9-39.7178.3-54.60000111.3N500 A501 L506 N507 A508N500-S504 WeakPolarHBondContact O-CB 3.31Å; N500-S504 PolarHBondContact O-N 3.25Å; N500-S504 PolarHBondContact O-OG 3.3Å; A501-S504 PolarHBondContact O-N 2.88Å; S504-L506 PolarHBondContact O-N 2.92Å; S504-N507 PolarHBondContact O-N 3.19Å; S504-A508 WeakPolarHBondContact O-CB 3.41Å; S504-A508 PolarHBondContact O-N 3.16Å
505L97.9Very high95.4Very high0 Ų037.6 Ų37.60%019%0.192CC..Hα-helixtrans-58.4-45.3172.4-177.1156.3000112A462 I466 L491 V495 A501 Q502 L503 A508 L509 L527 I532 V533A462-L505 HydrophobicContact CB-CB 4.41Å; I466-L505 HydrophobicContact CB-CD1 4.44Å; I466-L505 HydrophobicContact CB-CD2 4.44Å; I466-L505 HydrophobicContact CB-CG 3.89Å; I466-L505 HydrophobicContact CD1-CD2 4.33Å; I466-L505 HydrophobicContact CG1-CD2 4.04Å; I466-L505 HydrophobicContact CG1-CG 4.05Å; I466-L505 HydrophobicContact CG2-CG 4Å; L491-L505 HydrophobicContact CD2-CD1 4.08Å; V495-L505 HydrophobicContact CG1-CD1 3.93Å; A501-L505 VanDerWaalsContact O-CB 3.3Å; A501-L505 WeakPolarHBondContact O-CB 3.36Å; A501-L505 PolarHBondContact O-N 3.49Å; Q502-L505 PolarHBondContact O-N 2.86Å; L503-L505 VanDerWaalsContact C-N 3.31Å; L503-L505 PolarHBondContact O-N 2.9Å; L505-A508 PolarHBondContact O-N 3.3Å; L505-L509 PolarHBondContact O-N 3.4Å; L505-L527 HydrophobicContact CD2-CD1 3.55Å; L505-L527 HydrophobicContact CD2-CD2 4.44Å; L505-I532 HydrophobicContact CD1-CG2 4.36Å; L505-V533 HydrophobicContact CD2-CG2 4.36Å
506L98.1Very high95.1Very high0 Ų039 Ų390%020%0.199CC..Hα-helixtrans-67.8-37177.3-67.6174.4000112.4Q502 L503 S504 L509 R510 V524 L527 V533 I537 W541Q502-L506 WeakPolarHBondContact O-CG 3.43Å; Q502-L506 PolarHBondContact O-N 3.29Å; Q502-L506 VanDerWaalsContact O-N 3.14Å; L503-L506 PolarHBondContact O-N 3.39Å; L503-L506 VanDerWaalsContact O-N 3.16Å; S504-L506 PolarHBondContact O-N 2.92Å; L506-L509 WeakPolarHBondContact O-CB 3.5Å; L506-L509 PolarHBondContact O-N 3.4Å; L506-R510 PolarHBondContact O-N 2.84Å; L506-R510 VanDerWaalsContact O-N 3.16Å; L506-V524 HydrophobicContact CD2-CG2 4.1Å; L506-L527 HydrophobicContact CD2-CD1 4.28Å; L506-V533 HydrophobicContact CD1-CG1 3.9Å; L506-V533 HydrophobicContact CD2-CG1 4.4Å; L506-V533 HydrophobicContact CD2-CG2 4.34Å; L506-V533 HydrophobicContact CG-CG1 4.38Å; L506-I537 HydrophobicContact CD1-CG2 4.3Å; L506-W541 HydrophobicContact CB-CB 4.45Å; L506-W541 HydrophobicContact CB-CD2 3.8Å; L506-W541 HydrophobicContact CB-CG 3.71Å; L506-W541 HydrophobicContact CB-CZ2 4.47Å; L506-W541 HydrophobicContact CD1-CB 3.55Å; L506-W541 HydrophobicContact CD1-CD2 3.91Å; L506-W541 HydrophobicContact CD1-CE3 4.21Å; L506-W541 HydrophobicContact CD1-CG 3.62Å; L506-W541 HydrophobicContact CG-CD2 4.38Å; L506-W541 HydrophobicContact CG-CG 4.32Å
507N97.3Very high95Very high23 Ų2334.4 Ų34.412%0.12318%0.179CC..Hα-helixtrans-63.2-46.9173.7-71-21.5000111.2L503 S504 L509 R510 E511 W541L503-N507 PolarHBondContact O-N 3.48Å; L503-N507 PolarHBondContact O-ND2 3.39Å; S504-N507 PolarHBondContact O-N 3.19Å; N507-L509 VanDerWaalsContact C-N 3.28Å; N507-L509 PolarHBondContact O-N 3.5Å; N507-R510 WeakPolarHBondContact O-CB 3.5Å; N507-R510 PolarHBondContact O-N 3.13Å; N507-E511 WeakPolarHBondContact O-CG 3.5Å; N507-E511 PolarHBondContact O-N 3.17Å; N507-W541 PolarHBondContact OD1-NE1 3.23Å; N507-W541 VanDerWaalsContact OD1-NE1 3.09Å
508A96.5Very high95.1Very high0 Ų033 Ų330%017%0.167CC..Hα-helixtrans-61.4-34.7176.100000112.8E463 I466 S504 L505 T512E463-A508 HydrophobicContact CB-CB 3.76Å; E463-A508 HydrophobicContact CG-CB 3.89Å; I466-A508 HydrophobicContact CG2-CB 3.57Å; S504-A508 WeakPolarHBondContact O-CB 3.41Å; S504-A508 PolarHBondContact O-N 3.16Å; L505-A508 PolarHBondContact O-N 3.3Å; A508-T512 VanDerWaalsContact O-CB 3.24Å; A508-T512 WeakPolarHBondContact O-CB 3.31Å; A508-T512 PolarHBondContact O-N 3.32Å; A508-T512 PolarHBondContact O-OG1 3.33Å
509L97.2Very high95Very high0 Ų033.7 Ų33.70%017%0.167CC..Hα-helixtrans-58.8-47.3170.216564.8000111.5L470 L505 L506 N507 T512 W513 I520 V523 V524L470-L509 HydrophobicContact CD1-CB 4.15Å; L470-L509 HydrophobicContact CD1-CD1 3.47Å; L470-L509 VanDerWaalsContact CD1-CD1 3.47Å; L470-L509 HydrophobicContact CD1-CG 4.42Å; L470-L509 HydrophobicContact CD2-CD1 3.94Å; L470-L509 HydrophobicContact CG-CD1 4.37Å; L505-L509 PolarHBondContact O-N 3.4Å; L506-L509 WeakPolarHBondContact O-CB 3.5Å; L506-L509 PolarHBondContact O-N 3.4Å; N507-L509 VanDerWaalsContact C-N 3.28Å; N507-L509 PolarHBondContact O-N 3.5Å; L509-T512 PolarHBondContact O-N 2.66Å; L509-W513 HydrophobicContact CD1-CE3 3.86Å; L509-W513 HydrophobicContact CD1-CZ3 4.34Å; L509-W513 PolarHBondContact O-N 2.9Å; L509-W513 VanDerWaalsContact O-N 3.12Å; L509-I520 HydrophobicContact CD2-CG2 4.2Å; L509-I520 HydrophobicContact CG-CG1 4.47Å; L509-I520 HydrophobicContact CG-CG2 4.47Å; L509-V523 HydrophobicContact CD1-CB 4Å; L509-V523 HydrophobicContact CD1-CG1 3.8Å; L509-V523 HydrophobicContact CD1-CG2 4.44Å; L509-V523 HydrophobicContact CD2-CB 4.08Å; L509-V523 HydrophobicContact CD2-CG1 3.75Å; L509-V523 HydrophobicContact CG-CG1 4.41Å; L509-V524 HydrophobicContact CD2-CG2 3.64Å
510R95.3Very high95Very high31 Ų3129.1 Ų29.112%0.11715%0.146CC..Hα-helixtrans-65.2-45.2179.4178.163.6-169.3131.14.9111.9L506 N507 T512 W513 P514 W541 M547 E550L506-R510 PolarHBondContact O-N 2.84Å; L506-R510 VanDerWaalsContact O-N 3.16Å; N507-R510 WeakPolarHBondContact O-CB 3.5Å; N507-R510 PolarHBondContact O-N 3.13Å; R510-T512 VanDerWaalsContact C-N 3.31Å; R510-T512 PolarHBondContact O-N 3.11Å; R510-W513 PolarHBondContact NH1-O 3.3Å; R510-W513 VanDerWaalsContact NH1-O 3.15Å; R510-W513 CarbonylContact O-C 3.45Å; R510-W513 PolarHBondContact O-N 3.45Å; R510-P514 PolarHBondContact NH1-O 2.97Å; R510-P514 PolarHBondContact NH2-O 2.97Å; R510-P514 WeakPolarHBondContact O-CA 3.34Å; R510-W541 HydrophobicContact CB-CZ2 4.25Å; R510-M547 HydrophobicContact CG-SD 4.28Å; R510-E550 IonicContact CZ-OE1 3.05Å; R510-E550 IonicContact CZ-OE2 3.39Å; R510-E550 IonicContact NE-OE1 3.39Å; R510-E550 IonicContact NH2-OE1 2.84Å; R510-E550 PolarHBondContact NH2-OE1 2.9Å; R510-E550 IonicContact NH2-OE2 2.63Å; R510-E550 PolarHBondContact NH2-OE2 3.24Å
511E94.5Very high94.9Very high80 Ų8025.4 Ų25.437%0.37413%0.131SC..Hα-helixtrans-63.5-37.6178.3-70.7174.8175.300112F407 K409 N507 W513 P514F407-E511 WeakPolarHBondContact CD1-O 3.37Å; K409-E511 VanDerWaalsContact CD-OE2 3.3Å; K409-E511 WeakPolarHBondContact CD-OE2 3.47Å; K409-E511 WeakPolarHBondContact CE-OE2 3.38Å; K409-E511 IonicContact NZ-OE2 2.66Å; K409-E511 PolarHBondContact NZ-OE2 3.41Å; N507-E511 WeakPolarHBondContact O-CG 3.5Å; N507-E511 PolarHBondContact O-N 3.17Å; E511-W513 VanDerWaalsContact C-N 3.34Å; E511-P514 WeakPolarHBondContact O-CD 3.49Å
512T95.6Very high94.9Very high1 Ų127.5 Ų27.51%0.00614%0.144CC..Hα-helixtrans-69-35.5178-58.60000111.6V406 F407 S467 L470 V471 A508 L509 R510 P514V406-T512 HydrophobicContact CG1-CG2 4.04Å; F407-T512 PolarHBondContact N-O 3.36Å; F407-T512 VanDerWaalsContact O-CA 3.31Å; F407-T512 WeakPolarHBondContact O-CA 3.35Å; S467-T512 WeakPolarHBondContact CB-OG1 3.22Å; S467-T512 PolarHBondContact OG-OG1 2.78Å; L470-T512 HydrophobicContact CB-CG2 3.76Å; L470-T512 HydrophobicContact CD1-CG2 4.07Å; V471-T512 HydrophobicContact CG2-CG2 4.03Å; A508-T512 VanDerWaalsContact O-CB 3.24Å; A508-T512 WeakPolarHBondContact O-CB 3.31Å; A508-T512 PolarHBondContact O-N 3.32Å; A508-T512 PolarHBondContact O-OG1 3.33Å; L509-T512 PolarHBondContact O-N 2.66Å; R510-T512 VanDerWaalsContact C-N 3.31Å; R510-T512 PolarHBondContact O-N 3.11Å; T512-P514 VanDerWaalsContact C-CD 3.43Å; T512-P514 WeakPolarHBondContact O-CD 3.41Å
513W94.4Very high94.9Very high0 Ų026.9 Ų26.90%014%0.14CC..  trans-123.863.3-176.5-75.3-11.6000113L470 T480 L509 R510 E511 T515 F516 R519 I520 V523L470-W513 HydrophobicContact CB-CZ2 4.03Å; L470-W513 HydrophobicContact CD2-CD2 4.43Å; L470-W513 HydrophobicContact CD2-CE3 4.15Å; L470-W513 HydrophobicContact CD2-CH2 3.6Å; L470-W513 HydrophobicContact CD2-CZ2 3.84Å; L470-W513 HydrophobicContact CD2-CZ3 3.75Å; L470-W513 HydrophobicContact CG-CZ2 4.49Å; T480-W513 HydrophobicContact CG2-CH2 3.67Å; T480-W513 HydrophobicContact CG2-CZ2 4.42Å; T480-W513 HydrophobicContact CG2-CZ3 4.47Å; L509-W513 HydrophobicContact CD1-CE3 3.86Å; L509-W513 HydrophobicContact CD1-CZ3 4.34Å; L509-W513 PolarHBondContact O-N 2.9Å; L509-W513 VanDerWaalsContact O-N 3.12Å; R510-W513 PolarHBondContact NH1-O 3.3Å; R510-W513 VanDerWaalsContact NH1-O 3.15Å; R510-W513 CarbonylContact O-C 3.45Å; R510-W513 PolarHBondContact O-N 3.45Å; E511-W513 VanDerWaalsContact C-N 3.34Å; W513-T515 PolarHBondContact O-N 3.4Å; W513-F516 HydrophobicContact CB-CB 4.13Å; W513-F516 HydrophobicContact CB-CD2 4.08Å; W513-F516 AromaticContact CD1-CD2 3.9Å; W513-F516 HydrophobicContact CG-CB 4.42Å; W513-F516 AromaticContact CG-CD2 3.96Å; W513-F516 HydrophobicContact CG-CD2 3.96Å; W513-F516 PolarHBondContact O-N 2.66Å; W513-R519 HydrophobicContact CE3-CB 3.67Å; W513-R519 HydrophobicContact CH2-CB 4.34Å; W513-R519 HydrophobicContact CZ3-CB 3.55Å; W513-I520 HydrophobicContact CB-CG1 4.33Å; W513-I520 WeakPolarHBondContact O-CD1 3.43Å; W513-V523 HydrophobicContact CE3-CG2 4.49Å; W513-V523 HydrophobicContact CH2-CG2 4.12Å; W513-V523 HydrophobicContact CZ3-CG2 3.52Å
514P90.7Very high94.9Very high51 Ų5125.1 Ų25.133%0.33113%0.131SC..THydrogen-bonded Turntrans-66.4-15.8-172.728.3-35.6000113.5R510 E511 T512R510-P514 PolarHBondContact NH1-O 2.97Å; R510-P514 PolarHBondContact NH2-O 2.97Å; R510-P514 WeakPolarHBondContact O-CA 3.34Å; E511-P514 WeakPolarHBondContact O-CD 3.49Å; T512-P514 VanDerWaalsContact C-CD 3.43Å; T512-P514 WeakPolarHBondContact O-CD 3.41Å
515T88.4Confident94.9Very high28 Ų2825.3 Ų25.317%0.17213%0.131CC..THydrogen-bonded Turntrans-124.87-177.455.50000113.9P402 A403 P404 K405 W513P402-T515 HydrophobicContact CB-CG2 3.87Å; P402-T515 HydrophobicContact CG-CG2 4.02Å; A403-T515 PolarHBondContact O-OG1 3.01Å; P404-T515 VanDerWaalsContact CA-OG1 3.29Å; P404-T515 WeakPolarHBondContact CA-OG1 3.43Å; K405-T515 PolarHBondContact N-OG1 2.86Å; W513-T515 PolarHBondContact O-N 3.4Å
516F89.6Confident94.9Very high30 Ų3027.2 Ų27.213%0.13214%0.139CC..  trans-105.965.2178.7-65.9-87.4000112.8P404 K405 V406 W513 Q518 R519 I520P404-F516 HydrophobicContact CB-CD1 3.55Å; P404-F516 HydrophobicContact CB-CD2 4.34Å; P404-F516 HydrophobicContact CB-CE1 3.08Å; P404-F516 HydrophobicContact CB-CE2 3.94Å; P404-F516 HydrophobicContact CB-CG 4.16Å; P404-F516 HydrophobicContact CB-CZ 3.29Å; P404-F516 HydrophobicContact CG-CE1 4.23Å; K405-F516 VanDerWaalsContact C-CE2 3.48Å; K405-F516 WeakPolarHBondContact O-CE2 3.26Å; V406-F516 HydrophobicContact CG2-CE2 3.79Å; V406-F516 HydrophobicContact CG2-CZ 4.36Å; W513-F516 HydrophobicContact CB-CB 4.13Å; W513-F516 HydrophobicContact CB-CD2 4.08Å; W513-F516 AromaticContact CD1-CD2 3.9Å; W513-F516 HydrophobicContact CG-CB 4.42Å; W513-F516 AromaticContact CG-CD2 3.96Å; W513-F516 HydrophobicContact CG-CD2 3.96Å; W513-F516 PolarHBondContact O-N 2.66Å; F516-Q518 PolarHBondContact O-N 2.8Å; F516-R519 HydrophobicContact CB-CB 3.74Å; F516-R519 HydrophobicContact CB-CG 3.8Å; F516-R519 VanDerWaalsContact CD1-CD 3.44Å; F516-R519 HydrophobicContact CD1-CG 3.93Å; F516-R519 HydrophobicContact CG-CG 4.2Å; F516-R519 PolarHBondContact O-N 3.23Å; F516-I520 PolarHBondContact O-N 3.36Å
517E91.2Very high94.9Very high18 Ų1827.2 Ų27.28%0.08414%0.139CC..Hα-helixtrans-50.4-51-177.9-63.8177.8172.300112.6S377 R519 I520 G521 K553 Y555S377-E517 PolarHBondContact OG-OE2 2.95Å; E517-R519 VanDerWaalsContact C-N 3.3Å; E517-R519 PolarHBondContact O-N 3.08Å; E517-I520 PolarHBondContact O-N 2.92Å; E517-G521 PolarHBondContact O-N 2.85Å; E517-K553 WeakPolarHBondContact OE1-CD 3.46Å; E517-K553 IonicContact OE1-NZ 3.98Å; E517-K553 PolarHBondContact OE1-NZ 3.26Å; E517-Y555 HydrophobicContact CB-CD1 3.74Å; E517-Y555 HydrophobicContact CB-CD2 4.35Å; E517-Y555 HydrophobicContact CB-CE1 4.2Å; E517-Y555 HydrophobicContact CB-CG 3.82Å; E517-Y555 HydrophobicContact CG-CD1 3.66Å; E517-Y555 HydrophobicContact CG-CE1 3.74Å; E517-Y555 HydrophobicContact CG-CG 4.26Å
518Q91Very high95Very high128 Ų12827.3 Ų27.360%0.59814%0.139SC*.Hα-helixtrans-58.8-39.5177.2-171.7-170.73100112.8F516 G521 V522F516-Q518 PolarHBondContact O-N 2.8Å; Q518-G521 PolarHBondContact O-N 3.14Å; Q518-V522 WeakPolarHBondContact O-CG2 3.35Å; Q518-V522 PolarHBondContact O-N 2.72Å
519R94.1Very high95Very high52 Ų5233.1 Ų33.120%0.19616%0.161CC..Hα-helixtrans-71.8-37.1-176.9-62.3-163.8175.6-172.4-1.9111.7Q474 M477 W513 F516 E517 G521 V522 V523Q474-R519 PolarHBondContact O-NH1 3.15Å; M477-R519 HydrophobicContact CE-CB 3.48Å; M477-R519 VanDerWaalsContact CE-CB 3.48Å; M477-R519 HydrophobicContact CE-CG 3.33Å; W513-R519 HydrophobicContact CE3-CB 3.67Å; W513-R519 HydrophobicContact CH2-CB 4.34Å; W513-R519 HydrophobicContact CZ3-CB 3.55Å; F516-R519 HydrophobicContact CB-CB 3.74Å; F516-R519 HydrophobicContact CB-CG 3.8Å; F516-R519 VanDerWaalsContact CD1-CD 3.44Å; F516-R519 HydrophobicContact CD1-CG 3.93Å; F516-R519 HydrophobicContact CG-CG 4.2Å; F516-R519 PolarHBondContact O-N 3.23Å; E517-R519 VanDerWaalsContact C-N 3.3Å; E517-R519 PolarHBondContact O-N 3.08Å; R519-G521 VanDerWaalsContact C-N 3.33Å; R519-V522 PolarHBondContact O-N 3.41Å; R519-V523 WeakPolarHBondContact O-CG2 3.45Å; R519-V523 PolarHBondContact O-N 2.93Å
520I95.8Very high94.9Very high0 Ų035.2 Ų35.20%017%0.172CC..Hα-helixtrans-57.2-50.5173.7-68.7166.3000109.3L509 W513 F516 E517 V522 V523 V524 W541 Y555 I559L509-I520 HydrophobicContact CD2-CG2 4.2Å; L509-I520 HydrophobicContact CG-CG1 4.47Å; L509-I520 HydrophobicContact CG-CG2 4.47Å; W513-I520 HydrophobicContact CB-CG1 4.33Å; W513-I520 WeakPolarHBondContact O-CD1 3.43Å; F516-I520 PolarHBondContact O-N 3.36Å; E517-I520 PolarHBondContact O-N 2.92Å; I520-V522 VanDerWaalsContact C-N 3.3Å; I520-V522 PolarHBondContact O-N 3.22Å; I520-V523 PolarHBondContact O-N 3.07Å; I520-V523 VanDerWaalsContact O-N 3.1Å; I520-V524 HydrophobicContact CG2-CG2 4.12Å; I520-V524 WeakPolarHBondContact O-CG2 3.35Å; I520-V524 PolarHBondContact O-N 3.29Å; I520-W541 HydrophobicContact CG2-CH2 3.94Å; I520-Y555 HydrophobicContact CG2-CE2 4.27Å; I520-I559 HydrophobicContact CG2-CD1 4.17Å
521G96Very high95Very high21 Ų2141.5 Ų41.522%0.21620%0.202CC..Hα-helixtrans-56.5-42.5179.400000113.4E517 Q518 R519 D525E517-G521 PolarHBondContact O-N 2.85Å; Q518-G521 PolarHBondContact O-N 3.14Å; R519-G521 VanDerWaalsContact C-N 3.33Å; G521-D525 WeakPolarHBondContact O-CB 3.5Å; G521-D525 PolarHBondContact O-N 2.8Å
522V96.5Very high95.1Very high45 Ų4537.8 Ų37.827%0.27319%0.185SC..Hα-helixtrans-66.4-38.9177.11740000112.5M477 L481 Q518 R519 I520 K526M477-V522 HydrophobicContact CE-CB 4.41Å; M477-V522 HydrophobicContact CE-CG1 4.43Å; M477-V522 HydrophobicContact CG-CG1 3.9Å; M477-V522 HydrophobicContact SD-CB 4.15Å; M477-V522 HydrophobicContact SD-CG1 3.58Å; M477-V522 VanDerWaalsContact SD-CG1 3.58Å; L481-V522 HydrophobicContact CD1-CG1 4.29Å; L481-V522 HydrophobicContact CD2-CG1 4.05Å; Q518-V522 WeakPolarHBondContact O-CG2 3.35Å; Q518-V522 PolarHBondContact O-N 2.72Å; R519-V522 PolarHBondContact O-N 3.41Å; I520-V522 VanDerWaalsContact C-N 3.3Å; I520-V522 PolarHBondContact O-N 3.22Å; V522-K526 WeakPolarHBondContact O-CB 3.37Å; V522-K526 PolarHBondContact O-N 3.44Å
523V97.9Very high95.2Very high0 Ų037.7 Ų37.70%018%0.184CC..Hα-helixtrans-72.3-45.1179.1170.80000111.4L470 T480 L484 L509 W513 R519 I520 D525 K526 L527L470-V523 HydrophobicContact CD2-CG1 4.33Å; L470-V523 HydrophobicContact CD2-CG2 4.13Å; T480-V523 HydrophobicContact CG2-CG2 3.93Å; L484-V523 HydrophobicContact CD1-CB 4.41Å; L484-V523 HydrophobicContact CD1-CG1 3.82Å; L484-V523 HydrophobicContact CD1-CG2 4.03Å; L509-V523 HydrophobicContact CD1-CB 4Å; L509-V523 HydrophobicContact CD1-CG1 3.8Å; L509-V523 HydrophobicContact CD1-CG2 4.44Å; L509-V523 HydrophobicContact CD2-CB 4.08Å; L509-V523 HydrophobicContact CD2-CG1 3.75Å; L509-V523 HydrophobicContact CG-CG1 4.41Å; W513-V523 HydrophobicContact CE3-CG2 4.49Å; W513-V523 HydrophobicContact CH2-CG2 4.12Å; W513-V523 HydrophobicContact CZ3-CG2 3.52Å; R519-V523 WeakPolarHBondContact O-CG2 3.45Å; R519-V523 PolarHBondContact O-N 2.93Å; I520-V523 PolarHBondContact O-N 3.07Å; I520-V523 VanDerWaalsContact O-N 3.1Å; V523-D525 VanDerWaalsContact C-N 3.27Å; V523-D525 PolarHBondContact O-N 3.22Å; V523-K526 CarbonylContact O-C 3.59Å; V523-K526 WeakPolarHBondContact O-CA 3.3Å; V523-K526 WeakPolarHBondContact O-CB 3.47Å; V523-K526 PolarHBondContact O-N 3.26Å; V523-L527 HydrophobicContact CG1-CD1 3.9Å; V523-L527 HydrophobicContact CG1-CG 4.17Å; V523-L527 WeakPolarHBondContact O-CG 3.24Å; V523-L527 PolarHBondContact O-N 3.07Å
524V98.3Very high95.3Very high1 Ų140.3 Ų40.31%0.00620%0.201CC..Hα-helixtrans-56.6-46175.4174.70000110.3L506 L509 I520 K526 L527 F528 I538 W541 I559L506-V524 HydrophobicContact CD2-CG2 4.1Å; L509-V524 HydrophobicContact CD2-CG2 3.64Å; I520-V524 HydrophobicContact CG2-CG2 4.12Å; I520-V524 WeakPolarHBondContact O-CG2 3.35Å; I520-V524 PolarHBondContact O-N 3.29Å; V524-K526 VanDerWaalsContact C-N 3.32Å; V524-K526 PolarHBondContact O-N 3.34Å; V524-L527 PolarHBondContact O-N 2.91Å; V524-F528 WeakPolarHBondContact O-CB 3.45Å; V524-F528 PolarHBondContact O-N 2.92Å; V524-I538 HydrophobicContact CG1-CD1 3.82Å; V524-I538 HydrophobicContact CG1-CG1 4.1Å; V524-I538 HydrophobicContact CG1-CG2 4.03Å; V524-W541 HydrophobicContact CG2-CH2 4.27Å; V524-W541 HydrophobicContact CG2-CZ3 4.05Å; V524-I559 HydrophobicContact CB-CG2 4.36Å; V524-I559 HydrophobicContact CG1-CG2 3.69Å; V524-I559 HydrophobicContact CG2-CD1 4.44Å
525D97.7Very high95.6Very high23 Ų2338.2 Ų38.212%0.12319%0.188CC..Hα-helixtrans-58.4-41.1174.3170.841.7000113G521 V523 R529 K566G521-D525 WeakPolarHBondContact O-CB 3.5Å; G521-D525 PolarHBondContact O-N 2.8Å; V523-D525 VanDerWaalsContact C-N 3.27Å; V523-D525 PolarHBondContact O-N 3.22Å; D525-R529 VanDerWaalsContact CG-CZ 3.41Å; D525-R529 PolarHBondContact O-N 2.99Å; D525-R529 VanDerWaalsContact O-N 3.08Å; D525-R529 IonicContact OD1-CZ 2.99Å; D525-R529 IonicContact OD1-NE 3.62Å; D525-R529 IonicContact OD1-NH1 3.25Å; D525-R529 PolarHBondContact OD1-NH1 3.29Å; D525-R529 VanDerWaalsContact OD1-NH1 3.15Å; D525-R529 IonicContact OD1-NH2 2.69Å; D525-R529 IonicContact OD2-CZ 2.71Å; D525-R529 IonicContact OD2-NH1 2.71Å; D525-R529 PolarHBondContact OD2-NH1 2.85Å; D525-R529 IonicContact OD2-NH2 3.37Å; D525-R529 PolarHBondContact OD2-NH2 3.05Å; D525-K566 VanDerWaalsContact CG-NZ 3.33Å; D525-K566 WeakPolarHBondContact OD1-CD 3.38Å; D525-K566 WeakPolarHBondContact OD1-CE 3.37Å; D525-K566 IonicContact OD1-NZ 3.64Å; D525-K566 PolarHBondContact OD1-NZ 2.92Å; D525-K566 IonicContact OD2-NZ 3.87Å
526K97.8Very high96.1Very high40 Ų4038.4 Ų38.417%0.17419%0.19CC..Hα-helixtrans-67.4-42.1175.9-174.960.7171.8173.70112.4L481 L484 T485 V522 V523 V524 F528 R529 L530L481-K526 HydrophobicContact CD2-CB 3.7Å; L481-K526 HydrophobicContact CD2-CD 4.09Å; L481-K526 HydrophobicContact CD2-CG 3.64Å; L484-K526 HydrophobicContact CB-CG 4.42Å; L484-K526 HydrophobicContact CD1-CB 4.46Å; L484-K526 HydrophobicContact CD1-CG 4.22Å; T485-K526 WeakPolarHBondContact OG1-CE 3.25Å; T485-K526 PolarHBondContact OG1-NZ 2.77Å; V522-K526 WeakPolarHBondContact O-CB 3.37Å; V522-K526 PolarHBondContact O-N 3.44Å; V523-K526 CarbonylContact O-C 3.59Å; V523-K526 WeakPolarHBondContact O-CA 3.3Å; V523-K526 WeakPolarHBondContact O-CB 3.47Å; V523-K526 PolarHBondContact O-N 3.26Å; V524-K526 VanDerWaalsContact C-N 3.32Å; V524-K526 PolarHBondContact O-N 3.34Å; K526-F528 VanDerWaalsContact C-N 3.32Å; K526-R529 PolarHBondContact O-N 3.23Å; K526-L530 HydrophobicContact CD-CD1 4.22Å; K526-L530 HydrophobicContact CD-CG 4.3Å; K526-L530 HydrophobicContact CG-CD1 3.99Å; K526-L530 HydrophobicContact CG-CG 4.49Å; K526-L530 WeakPolarHBondContact O-CB 3.35Å; K526-L530 VanDerWaalsContact O-CG 3.26Å; K526-L530 WeakPolarHBondContact O-CG 3.45Å; K526-L530 PolarHBondContact O-N 2.63Å
527L98.2Very high96.5Very high0 Ų037.1 Ų37.10%018%0.184CC..Hα-helixtrans-63.6-39.5177.2-68.3170.1000111.5I466 L484 L491 L505 L506 V523 V524 L530 E531 I532 V533I466-L527 HydrophobicContact CD1-CD2 4.49Å; L484-L527 HydrophobicContact CD2-CD2 4.29Å; L491-L527 HydrophobicContact CD1-CD2 4.3Å; L505-L527 HydrophobicContact CD2-CD1 3.55Å; L505-L527 HydrophobicContact CD2-CD2 4.44Å; L506-L527 HydrophobicContact CD2-CD1 4.28Å; V523-L527 HydrophobicContact CG1-CD1 3.9Å; V523-L527 HydrophobicContact CG1-CG 4.17Å; V523-L527 WeakPolarHBondContact O-CG 3.24Å; V523-L527 PolarHBondContact O-N 3.07Å; V524-L527 PolarHBondContact O-N 2.91Å; L527-L530 PolarHBondContact O-N 2.84Å; L527-E531 PolarHBondContact O-N 3.4Å; L527-I532 HydrophobicContact CD2-CB 4.34Å; L527-I532 HydrophobicContact CD2-CD1 3.82Å; L527-I532 HydrophobicContact CD2-CG2 4.24Å; L527-I532 PolarHBondContact O-N 3.43Å; L527-I532 VanDerWaalsContact O-N 3.08Å; L527-V533 HydrophobicContact CB-CB 4.37Å; L527-V533 HydrophobicContact CB-CG2 4.08Å; L527-V533 HydrophobicContact CD1-CG2 4.42Å; L527-V533 PolarHBondContact O-N 3.37Å
528F97.6Very high96.8Very high25 Ų2536.2 Ų36.211%0.1118%0.18CC..Hα-helixtrans-61.2-50.4173.8174.3-115.3000112.2V524 K526 L530 E531 V533 A535 I538 T563 K566 L567V524-F528 WeakPolarHBondContact O-CB 3.45Å; V524-F528 PolarHBondContact O-N 2.92Å; K526-F528 VanDerWaalsContact C-N 3.32Å; F528-L530 PolarHBondContact O-N 3.2Å; F528-E531 PolarHBondContact O-N 3.08Å; F528-V533 WeakPolarHBondContact CA-O 3.47Å; F528-A535 HydrophobicContact CD2-CB 4.4Å; F528-A535 HydrophobicContact CE2-CB 3.82Å; F528-I538 HydrophobicContact CB-CD1 3.94Å; F528-I538 HydrophobicContact CD2-CD1 4.21Å; F528-I538 HydrophobicContact CG-CD1 4.27Å; F528-T563 HydrophobicContact CD1-CG2 4.29Å; F528-T563 HydrophobicContact CD2-CG2 4.17Å; F528-T563 HydrophobicContact CE1-CG2 4.24Å; F528-T563 HydrophobicContact CE2-CG2 4.13Å; F528-T563 HydrophobicContact CG-CG2 4.26Å; F528-T563 HydrophobicContact CZ-CG2 4.16Å; F528-K566 HydrophobicContact CD1-CD 4.31Å; F528-K566 HydrophobicContact CE1-CB 3.83Å; F528-K566 HydrophobicContact CE1-CD 4.34Å; F528-L567 HydrophobicContact CE2-CD2 4.39Å; F528-L567 HydrophobicContact CZ-CD2 3.74Å; F528-L567 HydrophobicContact CZ-CG 4.02Å
529R96.5Very high97.2Very high122 Ų12230.1 Ų30.146%0.4615%0.152SC..Hα-helixtrans-66.4-23.7178.4-74.4-171.6-61.1-110.5-18.7114.4D525 K526 K566D525-R529 VanDerWaalsContact CG-CZ 3.41Å; D525-R529 PolarHBondContact O-N 2.99Å; D525-R529 VanDerWaalsContact O-N 3.08Å; D525-R529 IonicContact OD1-CZ 2.99Å; D525-R529 IonicContact OD1-NE 3.62Å; D525-R529 IonicContact OD1-NH1 3.25Å; D525-R529 PolarHBondContact OD1-NH1 3.29Å; D525-R529 VanDerWaalsContact OD1-NH1 3.15Å; D525-R529 IonicContact OD1-NH2 2.69Å; D525-R529 IonicContact OD2-CZ 2.71Å; D525-R529 IonicContact OD2-NH1 2.71Å; D525-R529 PolarHBondContact OD2-NH1 2.85Å; D525-R529 IonicContact OD2-NH2 3.37Å; D525-R529 PolarHBondContact OD2-NH2 3.05Å; K526-R529 PolarHBondContact O-N 3.23Å; R529-K566 HydrophobicContact CG-CD 4.22Å
530L96.9Very high97.4Very high44 Ų4430.6 Ų30.623%0.2316%0.155CC..THydrogen-bonded Turntrans-85.13.4173.6-70.3173.5000112.2A488 K526 L527 F528 I532A488-L530 HydrophobicContact CB-CD1 3.97Å; A488-L530 HydrophobicContact CB-CD2 4.2Å; A488-L530 HydrophobicContact CB-CG 4.5Å; K526-L530 HydrophobicContact CD-CD1 4.22Å; K526-L530 HydrophobicContact CD-CG 4.3Å; K526-L530 HydrophobicContact CG-CD1 3.99Å; K526-L530 HydrophobicContact CG-CG 4.49Å; K526-L530 WeakPolarHBondContact O-CB 3.35Å; K526-L530 VanDerWaalsContact O-CG 3.26Å; K526-L530 WeakPolarHBondContact O-CG 3.45Å; K526-L530 PolarHBondContact O-N 2.63Å; L527-L530 PolarHBondContact O-N 2.84Å; F528-L530 PolarHBondContact O-N 3.2Å; L530-I532 HydrophobicContact CB-CD1 3.74Å; L530-I532 HydrophobicContact CB-CG1 3.96Å; L530-I532 HydrophobicContact CD1-CD1 3.95Å; L530-I532 PolarHBondContact O-N 3.3Å; L530-I532 VanDerWaalsContact O-N 3.12Å
531E95.7Very high97.5Very high163 Ų16330.7 Ų30.776%0.76216%0.155SC*.THydrogen-bonded Turntrans60.815.6-178.6-56.5-179.1171.300114.5L527 F528L527-E531 PolarHBondContact O-N 3.4Å; F528-E531 PolarHBondContact O-N 3.08Å
532I97.8Very high97.6Very high1 Ų129.7 Ų29.71%0.00515%0.145CC..SBendtrans-73.9-38.8178.6-62.4165.1000110.4A488 L491 V495 Q502 L505 L527 L530A488-I532 HydrophobicContact CB-CD1 4.14Å; L491-I532 HydrophobicContact CB-CD1 3.83Å; L491-I532 HydrophobicContact CB-CG1 4.27Å; L491-I532 HydrophobicContact CB-CG2 4.02Å; L491-I532 HydrophobicContact CD1-CD1 3.84Å; V495-I532 HydrophobicContact CG2-CG2 3.76Å; Q502-I532 PolarHBondContact NE2-O 3.44Å; L505-I532 HydrophobicContact CD1-CG2 4.36Å; L527-I532 HydrophobicContact CD2-CB 4.34Å; L527-I532 HydrophobicContact CD2-CD1 3.82Å; L527-I532 HydrophobicContact CD2-CG2 4.24Å; L527-I532 PolarHBondContact O-N 3.43Å; L527-I532 VanDerWaalsContact O-N 3.08Å; L530-I532 HydrophobicContact CB-CD1 3.74Å; L530-I532 HydrophobicContact CB-CG1 3.96Å; L530-I532 HydrophobicContact CD1-CD1 3.95Å; L530-I532 PolarHBondContact O-N 3.3Å; L530-I532 VanDerWaalsContact O-N 3.12Å
533V97.7Very high97.6Very high0 Ų029 Ų290%014%0.138CC..SBendtrans-125.2112-179.8-1790000109L505 L506 L527 F528 I537 I538L505-V533 HydrophobicContact CD2-CG2 4.36Å; L506-V533 HydrophobicContact CD1-CG1 3.9Å; L506-V533 HydrophobicContact CD2-CG1 4.4Å; L506-V533 HydrophobicContact CD2-CG2 4.34Å; L506-V533 HydrophobicContact CG-CG1 4.38Å; L527-V533 HydrophobicContact CB-CB 4.37Å; L527-V533 HydrophobicContact CB-CG2 4.08Å; L527-V533 HydrophobicContact CD1-CG2 4.42Å; L527-V533 PolarHBondContact O-N 3.37Å; F528-V533 WeakPolarHBondContact CA-O 3.47Å; V533-I537 HydrophobicContact CG1-CB 4.09Å; V533-I537 HydrophobicContact CG1-CG2 4.06Å; V533-I538 HydrophobicContact CG1-CD1 4.38Å; V533-I538 HydrophobicContact CG1-CG1 3.69Å
534P96.1Very high97.6Very high55 Ų5530.1 Ų30.136%0.35715%0.146SC..  trans-76.8157.8178.729.6-31.6000111.5I537 I538P534-I537 HydrophobicContact CG-CB 4.4Å; P534-I537 HydrophobicContact CG-CG1 3.67Å; P534-I537 WeakPolarHBondContact O-CB 3.38Å; P534-I537 PolarHBondContact O-N 3.49Å; P534-I538 PolarHBondContact O-N 2.76Å
535A97.6Very high97.5Very high6 Ų640.7 Ų40.75%0.0519%0.186CC..Hα-helixtrans-59-39.3-170.400000115.2F528 I537 I538 I539 T563 L567 F614F528-A535 HydrophobicContact CD2-CB 4.4Å; F528-A535 HydrophobicContact CE2-CB 3.82Å; A535-I537 PolarHBondContact O-N 2.9Å; A535-I538 WeakPolarHBondContact O-CB 3.35Å; A535-I538 PolarHBondContact O-N 3.11Å; A535-I539 PolarHBondContact O-N 3.05Å; A535-T563 HydrophobicContact CB-CG2 3.71Å; A535-L567 HydrophobicContact CB-CD1 4.07Å; A535-F614 HydrophobicContact CB-CD2 3.58Å; A535-F614 HydrophobicContact CB-CE2 4.19Å
536P97.7Very high97.3Very high32 Ų3245 Ų4521%0.20821%0.206CC..Hα-helixtrans-59.9-30.6174.5-26.436.9000113.9I539 K540 A613 T617P536-I539 PolarHBondContact O-N 3.08Å; P536-K540 WeakPolarHBondContact O-CG 3.49Å; P536-K540 PolarHBondContact O-N 2.99Å; P536-A613 HydrophobicContact CG-CB 4.26Å; P536-T617 HydrophobicContact CB-CG2 4.28Å
537I98Very high97.2Very high3 Ų343.1 Ų43.12%0.01520%0.198CC..Hα-helixtrans-74.1-35.9179.5-57.7-65.3000111E499 Q502 L503 L506 V533 P534 A535 I539 K540 W541E499-I537 HydrophobicContact CB-CD1 3.8Å; E499-I537 HydrophobicContact CG-CD1 3.63Å; Q502-I537 HydrophobicContact CB-CG2 3.8Å; L503-I537 HydrophobicContact CD2-CG2 3.89Å; L503-I537 HydrophobicContact CG-CG2 4.15Å; L506-I537 HydrophobicContact CD1-CG2 4.3Å; V533-I537 HydrophobicContact CG1-CB 4.09Å; V533-I537 HydrophobicContact CG1-CG2 4.06Å; P534-I537 HydrophobicContact CG-CB 4.4Å; P534-I537 HydrophobicContact CG-CG1 3.67Å; P534-I537 WeakPolarHBondContact O-CB 3.38Å; P534-I537 PolarHBondContact O-N 3.49Å; A535-I537 PolarHBondContact O-N 2.9Å; I537-I539 VanDerWaalsContact C-N 3.27Å; I537-I539 PolarHBondContact O-N 2.94Å; I537-K540 HydrophobicContact CD1-CD 4.22Å; I537-K540 PolarHBondContact O-N 2.77Å; I537-W541 WeakPolarHBondContact O-CB 3.24Å; I537-W541 PolarHBondContact O-N 3.04Å
538I98.5Very high97Very high0 Ų050.5 Ų50.50%023%0.23CC..Hα-helixtrans-60.3-41.7172.2-60.1173.2000110V524 F528 V533 P534 A535 W541 V542 I559 T563V524-I538 HydrophobicContact CG1-CD1 3.82Å; V524-I538 HydrophobicContact CG1-CG1 4.1Å; V524-I538 HydrophobicContact CG1-CG2 4.03Å; F528-I538 HydrophobicContact CB-CD1 3.94Å; F528-I538 HydrophobicContact CD2-CD1 4.21Å; F528-I538 HydrophobicContact CG-CD1 4.27Å; V533-I538 HydrophobicContact CG1-CD1 4.38Å; V533-I538 HydrophobicContact CG1-CG1 3.69Å; P534-I538 PolarHBondContact O-N 2.76Å; A535-I538 WeakPolarHBondContact O-CB 3.35Å; A535-I538 PolarHBondContact O-N 3.11Å; I538-W541 PolarHBondContact O-N 3.4Å; I538-V542 WeakPolarHBondContact O-CG2 3.25Å; I538-V542 PolarHBondContact O-N 3.21Å; I538-I559 HydrophobicContact CG2-CG2 3.64Å; I538-T563 HydrophobicContact CD1-CG2 3.97Å
539I98.6Very high96.6Very high0 Ų055.5 Ų55.50%026%0.258CS..Hα-helixtrans-63.2-52.6174.9-63162.6000110.4A535 P536 I537 W541 V542 F543 I560 F614 T617 L618A535-I539 PolarHBondContact O-N 3.05Å; P536-I539 PolarHBondContact O-N 3.08Å; I537-I539 VanDerWaalsContact C-N 3.27Å; I537-I539 PolarHBondContact O-N 2.94Å; I539-W541 PolarHBondContact O-N 2.89Å; I539-V542 PolarHBondContact O-N 3.01Å; I539-F543 HydrophobicContact CG2-CD2 3.9Å; I539-F543 HydrophobicContact CG2-CE2 4.05Å; I539-F543 WeakPolarHBondContact O-CD2 3.35Å; I539-F543 PolarHBondContact O-N 2.95Å; I539-F543 VanDerWaalsContact O-N 3.07Å; I539-I560 HydrophobicContact CG1-CD1 3.97Å; I539-F614 HydrophobicContact CD1-CB 4.45Å; I539-F614 HydrophobicContact CD1-CD1 4.08Å; I539-F614 HydrophobicContact CD1-CD2 3.48Å; I539-F614 VanDerWaalsContact CD1-CD2 3.48Å; I539-F614 HydrophobicContact CD1-CE1 4.18Å; I539-F614 HydrophobicContact CD1-CE2 3.62Å; I539-F614 HydrophobicContact CD1-CG 3.76Å; I539-F614 HydrophobicContact CD1-CZ 3.98Å; I539-F614 VanDerWaalsContact CD1-O 3.3Å; I539-F614 WeakPolarHBondContact CD1-O 3.34Å; I539-F614 HydrophobicContact CG1-CD2 4.2Å; I539-F614 HydrophobicContact CG1-CE2 3.87Å; I539-F614 HydrophobicContact CG1-CZ 4.19Å; I539-T617 HydrophobicContact CB-CG2 4.06Å; I539-T617 HydrophobicContact CD1-CG2 4.19Å; I539-T617 HydrophobicContact CG2-CG2 3.89Å; I539-L618 HydrophobicContact CD1-CB 3.94Å; I539-L618 HydrophobicContact CG2-CB 4.47Å; I539-L618 HydrophobicContact CG2-CD1 4.14Å
540K98.1Very high96.4Very high62 Ų6250.8 Ų50.827%0.2724%0.241SC..Hα-helixtrans-54.6-40.1178.9-72.7-179.6-173.6173.90111.8E499 L503 P536 I537 S544E499-K540 IonicContact OE1-NZ 3.94Å; E499-K540 PolarHBondContact OE1-NZ 3.47Å; E499-K540 IonicContact OE2-NZ 3.75Å; E499-K540 PolarHBondContact OE2-NZ 3.27Å; L503-K540 HydrophobicContact CD2-CB 4.16Å; P536-K540 WeakPolarHBondContact O-CG 3.49Å; P536-K540 PolarHBondContact O-N 2.99Å; I537-K540 HydrophobicContact CD1-CD 4.22Å; I537-K540 PolarHBondContact O-N 2.77Å; K540-S544 WeakPolarHBondContact O-CB 3.47Å; K540-S544 PolarHBondContact O-N 3.13Å; K540-S544 VanDerWaalsContact O-N 3.14Å
541W98.2Very high96.3Very high1 Ų149.3 Ų49.30%0.00423%0.232CC..Hα-helixtrans-65-46.2175.6174.563.9000112.6L503 L506 N507 R510 I520 V524 I537 I538 I539 F543 S544 M547 I559L503-W541 HydrophobicContact CD2-CB 3.81Å; L506-W541 HydrophobicContact CB-CB 4.45Å; L506-W541 HydrophobicContact CB-CD2 3.8Å; L506-W541 HydrophobicContact CB-CG 3.71Å; L506-W541 HydrophobicContact CB-CZ2 4.47Å; L506-W541 HydrophobicContact CD1-CB 3.55Å; L506-W541 HydrophobicContact CD1-CD2 3.91Å; L506-W541 HydrophobicContact CD1-CE3 4.21Å; L506-W541 HydrophobicContact CD1-CG 3.62Å; L506-W541 HydrophobicContact CG-CD2 4.38Å; L506-W541 HydrophobicContact CG-CG 4.32Å; N507-W541 PolarHBondContact OD1-NE1 3.23Å; N507-W541 VanDerWaalsContact OD1-NE1 3.09Å; R510-W541 HydrophobicContact CB-CZ2 4.25Å; I520-W541 HydrophobicContact CG2-CH2 3.94Å; V524-W541 HydrophobicContact CG2-CH2 4.27Å; V524-W541 HydrophobicContact CG2-CZ3 4.05Å; I537-W541 WeakPolarHBondContact O-CB 3.24Å; I537-W541 PolarHBondContact O-N 3.04Å; I538-W541 PolarHBondContact O-N 3.4Å; I539-W541 PolarHBondContact O-N 2.89Å; W541-F543 VanDerWaalsContact C-N 3.26Å; W541-F543 PolarHBondContact O-N 2.97Å; W541-S544 WeakPolarHBondContact O-CB 3.35Å; W541-S544 PolarHBondContact O-N 3.36Å; W541-S544 PolarHBondContact O-OG 3.42Å; W541-M547 HydrophobicContact CD2-CG 4.17Å; W541-M547 HydrophobicContact CG-CG 4.42Å; W541-M547 HydrophobicContact CH2-CE 3.84Å; W541-M547 HydrophobicContact CH2-SD 4.02Å; W541-M547 HydrophobicContact CZ2-CE 3.89Å; W541-M547 HydrophobicContact CZ2-CG 4.13Å; W541-M547 HydrophobicContact CZ2-SD 3.42Å; W541-M547 WeakPolarHBondContact CZ2-SD 3.16Å; W541-M547 HydrophobicContact CZ3-CE 4.3Å; W541-M547 WeakPolarHBondContact O-CB 3.46Å; W541-M547 WeakPolarHBondContact O-CG 3.38Å; W541-I559 HydrophobicContact CZ3-CD1 4.25Å
542V98Very high96.2Very high0 Ų042.5 Ų42.50%020%0.201CC..Hα-helixtrans-59.6-37.9178.5161.60000112.2I538 I539 S544 M547 F551 V556 I560I538-V542 WeakPolarHBondContact O-CG2 3.25Å; I538-V542 PolarHBondContact O-N 3.21Å; I539-V542 PolarHBondContact O-N 3.01Å; V542-S544 VanDerWaalsContact C-N 3.31Å; V542-M547 WeakPolarHBondContact O-CB 3.4Å; V542-F551 HydrophobicContact CG1-CD2 4.03Å; V542-F551 HydrophobicContact CG1-CE2 4.04Å; V542-F551 WeakPolarHBondContact O-CD2 3.25Å; V542-V556 HydrophobicContact CB-CG1 4.19Å; V542-V556 HydrophobicContact CG1-CG1 3.38Å; V542-V556 HydrophobicContact CG2-CG1 3.86Å; V542-I560 HydrophobicContact CB-CD1 4.11Å; V542-I560 HydrophobicContact CG1-CD1 4.27Å; V542-I560 HydrophobicContact CG1-CG1 4.24Å; V542-I560 HydrophobicContact CG2-CD1 3.86Å; V542-I560 HydrophobicContact CG2-CG1 4.17Å
543F97.7Very high96.1Very high30 Ų3045 Ų4513%0.13221%0.212CC..THydrogen-bonded Turntrans-88.57177.4-74.2-96.7000113.6I539 W541 F551 W557 L618 H621 F622 T625I539-F543 HydrophobicContact CG2-CD2 3.9Å; I539-F543 HydrophobicContact CG2-CE2 4.05Å; I539-F543 WeakPolarHBondContact O-CD2 3.35Å; I539-F543 PolarHBondContact O-N 2.95Å; I539-F543 VanDerWaalsContact O-N 3.07Å; W541-F543 VanDerWaalsContact C-N 3.26Å; W541-F543 PolarHBondContact O-N 2.97Å; F543-F551 AromaticContact CD1-CE2 3.72Å; F543-F551 HydrophobicContact CD1-CE2 3.72Å; F543-F551 AromaticContact CD1-CZ 3.74Å; F543-F551 HydrophobicContact CD1-CZ 3.74Å; F543-F551 HydrophobicContact CD2-CE2 4.32Å; F543-F551 AromaticContact CE1-CE2 3.72Å; F543-F551 HydrophobicContact CE1-CE2 3.72Å; F543-F551 AromaticContact CE1-CZ 3.49Å; F543-F551 HydrophobicContact CE1-CZ 3.49Å; F543-F551 VanDerWaalsContact CE1-CZ 3.49Å; F543-F551 HydrophobicContact CE2-CE2 4.29Å; F543-F551 HydrophobicContact CG-CE2 4.06Å; F543-F551 HydrophobicContact CZ-CE2 4.02Å; F543-F551 HydrophobicContact CZ-CZ 4.06Å; F543-W557 HydrophobicContact CZ-CH2 4.16Å; F543-L618 HydrophobicContact CE2-CD1 3.7Å; F543-L618 HydrophobicContact CZ-CD1 4.1Å; F543-H621 HydrophobicContact CB-CB 4.23Å; F543-H621 HydrophobicContact CD1-CB 3.69Å; F543-H621 HydrophobicContact CD2-CB 3.78Å; F543-H621 HydrophobicContact CE1-CB 3.85Å; F543-H621 HydrophobicContact CE2-CB 3.98Å; F543-H621 HydrophobicContact CG-CB 3.64Å; F543-H621 HydrophobicContact CZ-CB 4Å; F543-F622 HydrophobicContact CE1-CD1 4.14Å; F543-F622 HydrophobicContact CE1-CE1 4.46Å; F543-F622 AromaticContact CZ-CD1 3.91Å; F543-F622 HydrophobicContact CZ-CD1 3.91Å; F543-F622 HydrophobicContact CZ-CD2 4.48Å; F543-F622 AromaticContact CZ-CE1 3.96Å; F543-F622 HydrophobicContact CZ-CE1 3.96Å; F543-F622 HydrophobicContact CZ-CG 4.17Å; F543-F622 HydrophobicContact CZ-CZ 4.28Å; F543-T625 WeakPolarHBondContact CD1-OG1 3.19Å
544S96.9Very high95.9Very high24 Ų2445.1 Ų45.117%0.16821%0.212CC..SBendtrans-75.3166.1-178.191.20000112.3K540 W541 V542 E546 M547 K548K540-S544 WeakPolarHBondContact O-CB 3.47Å; K540-S544 PolarHBondContact O-N 3.13Å; K540-S544 VanDerWaalsContact O-N 3.14Å; W541-S544 WeakPolarHBondContact O-CB 3.35Å; W541-S544 PolarHBondContact O-N 3.36Å; W541-S544 PolarHBondContact O-OG 3.42Å; V542-S544 VanDerWaalsContact C-N 3.31Å; S544-E546 VanDerWaalsContact C-N 3.26Å; S544-E546 WeakPolarHBondContact CB-OE2 3.49Å; S544-E546 PolarHBondContact O-N 3.09Å; S544-E546 PolarHBondContact OG-N 2.82Å; S544-E546 PolarHBondContact OG-OE2 2.83Å; S544-M547 PolarHBondContact O-N 2.96Å; S544-K548 PolarHBondContact O-N 3.14Å
545R95.7Very high95.9Very high224 Ų22442.9 Ų42.985%0.84520%0.197SC*.SBendtrans-65.9-33178.4-67.5-178.5177.4-176.2-0.3111.8M547 K548R545-M547 VanDerWaalsContact C-N 3.26Å; R545-M547 PolarHBondContact O-N 3.19Å; R545-K548 VanDerWaalsContact O-CB 3.23Å; R545-K548 WeakPolarHBondContact O-CB 3.47Å; R545-K548 PolarHBondContact O-N 3.42Å
546E94.6Very high95.9Very high113 Ų11342.6 Ų42.653%0.52820%0.195SC..THydrogen-bonded Turntrans-66.2-31179.5-59.272.2-150.400111.4S544S544-E546 VanDerWaalsContact C-N 3.26Å; S544-E546 WeakPolarHBondContact CB-OE2 3.49Å; S544-E546 PolarHBondContact O-N 3.09Å; S544-E546 PolarHBondContact OG-N 2.82Å; S544-E546 PolarHBondContact OG-OE2 2.83Å
547M96.1Very high95.8Very high1 Ų141.3 Ų41.31%0.00519%0.186CC..THydrogen-bonded Turntrans-89.2-0.4177.9-71.8-61.7-7100114R510 W541 V542 S544 R545 N549 E550 F551 V556R510-M547 HydrophobicContact CG-SD 4.28Å; W541-M547 HydrophobicContact CD2-CG 4.17Å; W541-M547 HydrophobicContact CG-CG 4.42Å; W541-M547 HydrophobicContact CH2-CE 3.84Å; W541-M547 HydrophobicContact CH2-SD 4.02Å; W541-M547 HydrophobicContact CZ2-CE 3.89Å; W541-M547 HydrophobicContact CZ2-CG 4.13Å; W541-M547 HydrophobicContact CZ2-SD 3.42Å; W541-M547 WeakPolarHBondContact CZ2-SD 3.16Å; W541-M547 HydrophobicContact CZ3-CE 4.3Å; W541-M547 WeakPolarHBondContact O-CB 3.46Å; W541-M547 WeakPolarHBondContact O-CG 3.38Å; V542-M547 WeakPolarHBondContact O-CB 3.4Å; S544-M547 PolarHBondContact O-N 2.96Å; R545-M547 VanDerWaalsContact C-N 3.26Å; R545-M547 PolarHBondContact O-N 3.19Å; M547-N549 VanDerWaalsContact C-N 3.27Å; M547-N549 PolarHBondContact O-N 3.31Å; M547-N549 VanDerWaalsContact O-N 3.11Å; M547-E550 HydrophobicContact CE-CB 3.9Å; M547-E550 HydrophobicContact CE-CG 4.49Å; M547-E550 CarbonylContact O-C 3.22Å; M547-E550 PolarHBondContact O-N 2.99Å; M547-E550 HydrophobicContact SD-CB 4.49Å; M547-F551 WeakPolarHBondContact O-CB 3.45Å; M547-F551 PolarHBondContact O-N 3.07Å; M547-V556 HydrophobicContact CE-CG2 3.76Å
548K92.8Very high95.8Very high155 Ų15544.6 Ų44.667%0.67420%0.201SC*.THydrogen-bonded Turntrans-51.2-41-174.8-176.1-179.1179.3-178.60114.1S544 R545 E550S544-K548 PolarHBondContact O-N 3.14Å; R545-K548 VanDerWaalsContact O-CB 3.23Å; R545-K548 WeakPolarHBondContact O-CB 3.47Å; R545-K548 PolarHBondContact O-N 3.42Å; K548-E550 VanDerWaalsContact C-N 3.31Å
549N90.3Very high95.7Very high130 Ų13045 Ų4570%0.69520%0.203SC*.THydrogen-bonded Turntrans-77.4-18.1-178.3-63.9-22.4000113.3M547M547-N549 VanDerWaalsContact C-N 3.27Å; M547-N549 PolarHBondContact O-N 3.31Å; M547-N549 VanDerWaalsContact O-N 3.11Å
550E92.4Very high95.7Very high23 Ų2345 Ų4511%0.10720%0.203CC..THydrogen-bonded Turntrans-104.2-17.8-178.7-53.8-60.1150.800112.1R510 M547 K548 L552 K553 Y555 V556R510-E550 IonicContact CZ-OE1 3.05Å; R510-E550 IonicContact CZ-OE2 3.39Å; R510-E550 IonicContact NE-OE1 3.39Å; R510-E550 IonicContact NH2-OE1 2.84Å; R510-E550 PolarHBondContact NH2-OE1 2.9Å; R510-E550 IonicContact NH2-OE2 2.63Å; R510-E550 PolarHBondContact NH2-OE2 3.24Å; M547-E550 HydrophobicContact CE-CB 3.9Å; M547-E550 HydrophobicContact CE-CG 4.49Å; M547-E550 CarbonylContact O-C 3.22Å; M547-E550 PolarHBondContact O-N 2.99Å; M547-E550 HydrophobicContact SD-CB 4.49Å; K548-E550 VanDerWaalsContact C-N 3.31Å; E550-L552 PolarHBondContact O-N 3.24Å; E550-K553 VanDerWaalsContact O-CB 3.32Å; E550-K553 WeakPolarHBondContact O-CB 3.41Å; E550-K553 PolarHBondContact O-N 3.43Å; E550-K553 IonicContact OE1-NZ 3.62Å; E550-K553 VanDerWaalsContact OE2-CD 3.22Å; E550-K553 WeakPolarHBondContact OE2-CD 3.24Å; E550-K553 WeakPolarHBondContact OE2-CE 3.15Å; E550-K553 IonicContact OE2-NZ 2.82Å; E550-K553 PolarHBondContact OE2-NZ 3.26Å; E550-Y555 HydrophobicContact CB-CE1 4.36Å; E550-Y555 WeakPolarHBondContact CB-OH 3.45Å; E550-V556 HydrophobicContact CB-CG2 4.17Å; E550-V556 VanDerWaalsContact O-CG2 3.28Å; E550-V556 WeakPolarHBondContact O-CG2 3.33Å
551F94.3Very high95.7Very high12 Ų1243.3 Ų43.35%0.05320%0.196CC..THydrogen-bonded Turntrans-51.2-32.9-168.7179.9-120000114.4V542 F543 M547 W557 T625 W643 V647V542-F551 HydrophobicContact CG1-CD2 4.03Å; V542-F551 HydrophobicContact CG1-CE2 4.04Å; V542-F551 WeakPolarHBondContact O-CD2 3.25Å; F543-F551 AromaticContact CD1-CE2 3.72Å; F543-F551 HydrophobicContact CD1-CE2 3.72Å; F543-F551 AromaticContact CD1-CZ 3.74Å; F543-F551 HydrophobicContact CD1-CZ 3.74Å; F543-F551 HydrophobicContact CD2-CE2 4.32Å; F543-F551 AromaticContact CE1-CE2 3.72Å; F543-F551 HydrophobicContact CE1-CE2 3.72Å; F543-F551 AromaticContact CE1-CZ 3.49Å; F543-F551 HydrophobicContact CE1-CZ 3.49Å; F543-F551 VanDerWaalsContact CE1-CZ 3.49Å; F543-F551 HydrophobicContact CE2-CE2 4.29Å; F543-F551 HydrophobicContact CG-CE2 4.06Å; F543-F551 HydrophobicContact CZ-CE2 4.02Å; F543-F551 HydrophobicContact CZ-CZ 4.06Å; M547-F551 WeakPolarHBondContact O-CB 3.45Å; M547-F551 PolarHBondContact O-N 3.07Å; F551-W557 HydrophobicContact CD2-CZ2 4.17Å; F551-W557 HydrophobicContact CE1-CZ2 4.29Å; F551-W557 AromaticContact CE2-CH2 3.68Å; F551-W557 HydrophobicContact CE2-CH2 3.68Å; F551-W557 AromaticContact CE2-CZ2 3.65Å; F551-W557 HydrophobicContact CE2-CZ2 3.65Å; F551-W557 AromaticContact CZ-CH2 3.75Å; F551-W557 HydrophobicContact CZ-CH2 3.75Å; F551-W557 AromaticContact CZ-CZ2 3.72Å; F551-W557 HydrophobicContact CZ-CZ2 3.72Å; F551-W557 PolarHBondContact O-NE1 3.36Å; F551-T625 HydrophobicContact CE1-CG2 4.32Å; F551-T625 HydrophobicContact CZ-CG2 4.49Å; F551-W643 HydrophobicContact CD1-CZ2 4.41Å; F551-W643 HydrophobicContact CE1-CZ2 4.08Å; F551-V647 HydrophobicContact CD1-CG2 4.23Å; F551-V647 HydrophobicContact CE1-CB 4.49Å; F551-V647 HydrophobicContact CE1-CG1 4.13Å; F551-V647 HydrophobicContact CE1-CG2 3.51Å; F551-V647 HydrophobicContact CZ-CG1 4.27Å; F551-V647 HydrophobicContact CZ-CG2 4.35Å
552L93.8Very high95.6Very high21 Ų2145.4 Ų45.411%0.1121%0.21CC..THydrogen-bonded Turntrans-84.8-14.3-179.9-61.3-172.6000114.2Y365 E550 W643 I646 V647Y365-L552 HydrophobicContact CD1-CD1 3.33Å; Y365-L552 HydrophobicContact CD2-CD1 4.08Å; Y365-L552 HydrophobicContact CE1-CD1 3.58Å; Y365-L552 HydrophobicContact CE2-CD1 4.28Å; Y365-L552 HydrophobicContact CG-CD1 3.59Å; E550-L552 PolarHBondContact O-N 3.24Å; L552-W643 HydrophobicContact CD1-CB 4.29Å; L552-W643 HydrophobicContact CD1-CG 4.07Å; L552-W643 HydrophobicContact CD2-CG 4.38Å; L552-I646 HydrophobicContact CB-CG2 4.48Å; L552-I646 HydrophobicContact CD1-CD1 4.06Å; L552-I646 HydrophobicContact CD2-CB 4.15Å; L552-I646 HydrophobicContact CD2-CG2 3.83Å; L552-V647 HydrophobicContact CD2-CG2 3.67Å
553K94.1Very high95.6Very high52 Ų5245.5 Ų45.523%0.22621%0.211CC..SBendtrans-71.4149.5-175.7-66.7-173.1178.4174.50112.6E374 E517 E550 Y555 V556 W557E374-K553 WeakPolarHBondContact OE1-CA 3.34Å; E374-K553 WeakPolarHBondContact OE1-CB 3.38Å; E517-K553 WeakPolarHBondContact OE1-CD 3.46Å; E517-K553 IonicContact OE1-NZ 3.98Å; E517-K553 PolarHBondContact OE1-NZ 3.26Å; E550-K553 VanDerWaalsContact O-CB 3.32Å; E550-K553 WeakPolarHBondContact O-CB 3.41Å; E550-K553 PolarHBondContact O-N 3.43Å; E550-K553 IonicContact OE1-NZ 3.62Å; E550-K553 VanDerWaalsContact OE2-CD 3.22Å; E550-K553 WeakPolarHBondContact OE2-CD 3.24Å; E550-K553 WeakPolarHBondContact OE2-CE 3.15Å; E550-K553 IonicContact OE2-NZ 2.82Å; E550-K553 PolarHBondContact OE2-NZ 3.26Å; K553-Y555 VanDerWaalsContact C-N 3.33Å; K553-Y555 HydrophobicContact CB-CD1 3.84Å; K553-Y555 HydrophobicContact CB-CE1 4Å; K553-Y555 HydrophobicContact CD-CD1 4.22Å; K553-Y555 HydrophobicContact CD-CE1 3.89Å; K553-Y555 PolarHBondContact O-N 3.31Å; K553-V556 PolarHBondContact O-N 2.95Å; K553-W557 VanDerWaalsContact O-CD1 3.28Å
554Q95.1Very high95.7Very high3 Ų344 Ų441%0.01421%0.205CC..Hα-helixtrans-60.4-41.1-173.3-169.3179.710.100112.6D334 N338 E374 R378 V556 W557 E558D334-Q554 PolarHBondContact O-NE2 3.16Å; N338-Q554 PolarHBondContact ND2-NE2 3.41Å; E374-Q554 HydrophobicContact CG-CB 4.38Å; E374-Q554 PolarHBondContact OE1-N 3.38Å; E374-Q554 WeakPolarHBondContact OE2-CB 3.46Å; E374-Q554 PolarHBondContact OE2-N 3.1Å; R378-Q554 VanDerWaalsContact NH2-CD 3.27Å; Q554-V556 PolarHBondContact O-N 2.62Å; Q554-V556 VanDerWaalsContact O-N 3.16Å; Q554-W557 PolarHBondContact O-N 2.88Å; Q554-E558 HydrophobicContact CG-CG 4.41Å; Q554-E558 PolarHBondContact O-N 3.41Å
555Y95Very high95.6Very high8 Ų845.9 Ų45.93%0.03121%0.213CC..Hα-helixtrans-60.8-29.2-17686.8-92.8000113.3E517 I520 E550 K553 E558 I559E517-Y555 HydrophobicContact CB-CD1 3.74Å; E517-Y555 HydrophobicContact CB-CD2 4.35Å; E517-Y555 HydrophobicContact CB-CE1 4.2Å; E517-Y555 HydrophobicContact CB-CG 3.82Å; E517-Y555 HydrophobicContact CG-CD1 3.66Å; E517-Y555 HydrophobicContact CG-CE1 3.74Å; E517-Y555 HydrophobicContact CG-CG 4.26Å; I520-Y555 HydrophobicContact CG2-CE2 4.27Å; E550-Y555 HydrophobicContact CB-CE1 4.36Å; E550-Y555 WeakPolarHBondContact CB-OH 3.45Å; K553-Y555 VanDerWaalsContact C-N 3.33Å; K553-Y555 HydrophobicContact CB-CD1 3.84Å; K553-Y555 HydrophobicContact CB-CE1 4Å; K553-Y555 HydrophobicContact CD-CD1 4.22Å; K553-Y555 HydrophobicContact CD-CE1 3.89Å; K553-Y555 PolarHBondContact O-N 3.31Å; Y555-E558 PolarHBondContact O-N 3.24Å; Y555-I559 HydrophobicContact CD2-CD1 3.92Å; Y555-I559 HydrophobicContact CE2-CD1 4.12Å; Y555-I559 WeakPolarHBondContact O-CG1 3.37Å; Y555-I559 PolarHBondContact O-N 3.12Å
556V97Very high95.7Very high1 Ų136.9 Ų36.91%0.00618%0.18CC..Hα-helixtrans-65.7-43.3177.7173.40000110.3V542 M547 E550 K553 Q554 I559 I560V542-V556 HydrophobicContact CB-CG1 4.19Å; V542-V556 HydrophobicContact CG1-CG1 3.38Å; V542-V556 HydrophobicContact CG2-CG1 3.86Å; M547-V556 HydrophobicContact CE-CG2 3.76Å; E550-V556 HydrophobicContact CB-CG2 4.17Å; E550-V556 VanDerWaalsContact O-CG2 3.28Å; E550-V556 WeakPolarHBondContact O-CG2 3.33Å; K553-V556 PolarHBondContact O-N 2.95Å; Q554-V556 PolarHBondContact O-N 2.62Å; Q554-V556 VanDerWaalsContact O-N 3.16Å; V556-I559 WeakPolarHBondContact O-CB 3.07Å; V556-I559 PolarHBondContact O-N 3.44Å; V556-I560 PolarHBondContact O-N 3.5Å
557W97.1Very high95.8Very high4 Ų432.1 Ų32.12%0.01516%0.158CC..Hα-helixtrans-73.7-33.5177.7-58.9101000111.7F543 F551 K553 Q554 I559 I560 F561 F622 R650F543-W557 HydrophobicContact CZ-CH2 4.16Å; F551-W557 HydrophobicContact CD2-CZ2 4.17Å; F551-W557 HydrophobicContact CE1-CZ2 4.29Å; F551-W557 AromaticContact CE2-CH2 3.68Å; F551-W557 HydrophobicContact CE2-CH2 3.68Å; F551-W557 AromaticContact CE2-CZ2 3.65Å; F551-W557 HydrophobicContact CE2-CZ2 3.65Å; F551-W557 AromaticContact CZ-CH2 3.75Å; F551-W557 HydrophobicContact CZ-CH2 3.75Å; F551-W557 AromaticContact CZ-CZ2 3.72Å; F551-W557 HydrophobicContact CZ-CZ2 3.72Å; F551-W557 PolarHBondContact O-NE1 3.36Å; K553-W557 VanDerWaalsContact O-CD1 3.28Å; Q554-W557 PolarHBondContact O-N 2.88Å; W557-I559 VanDerWaalsContact C-N 3.26Å; W557-I559 PolarHBondContact O-N 3.19Å; W557-I560 HydrophobicContact CE3-CG1 4.49Å; W557-I560 PolarHBondContact O-N 2.71Å; W557-I560 VanDerWaalsContact O-N 3.17Å; W557-F561 HydrophobicContact CB-CD2 4.42Å; W557-F561 HydrophobicContact CB-CE2 4.42Å; W557-F561 WeakPolarHBondContact O-CD2 3.44Å; W557-F561 PolarHBondContact O-N 3.49Å; W557-F622 AromaticContact CH2-CE1 3.63Å; W557-F622 HydrophobicContact CH2-CE1 3.63Å; W557-F622 AromaticContact CH2-CZ 3.75Å; W557-F622 HydrophobicContact CH2-CZ 3.75Å; W557-F622 AromaticContact CZ3-CE1 3.9Å; W557-F622 HydrophobicContact CZ3-CE1 3.9Å; W557-F622 AromaticContact CZ3-CZ 3.5Å; W557-F622 HydrophobicContact CZ3-CZ 3.5Å; W557-F622 VanDerWaalsContact CZ3-CZ 3.5Å; W557-R650 HydrophobicContact CD2-CB 4.13Å; W557-R650 VanDerWaalsContact CD2-CD 3.46Å; W557-R650 HydrophobicContact CD2-CG 3.66Å; W557-R650 HydrophobicContact CE3-CB 4.02Å; W557-R650 HydrophobicContact CE3-CG 4.08Å; W557-R650 VanDerWaalsContact CG-CD 3.47Å; W557-R650 HydrophobicContact CG-CG 4.14Å; W557-R650 HydrophobicContact CH2-CB 3.95Å; W557-R650 HydrophobicContact CH2-CG 4.2Å; W557-R650 HydrophobicContact CZ2-CB 4.06Å; W557-R650 HydrophobicContact CZ2-CG 3.79Å; W557-R650 HydrophobicContact CZ3-CB 3.94Å; W557-R650 HydrophobicContact CZ3-CG 4.34Å
558E96.8Very high95.7Very high73 Ų7333 Ų3334%0.34116%0.163SC..Hα-helixtrans-57.5-39.3169.6-68.7-179.1166.200111.9R378 Q554 Y555 S562R378-E558 IonicContact CZ-OE1 2.78Å; R378-E558 VanDerWaalsContact CZ-OE1 3.25Å; R378-E558 IonicContact NH1-OE1 3.96Å; R378-E558 PolarHBondContact NH1-OE1 2.81Å; R378-E558 IonicContact NH1-OE2 3.36Å; R378-E558 IonicContact NH2-OE1 2.72Å; R378-E558 PolarHBondContact NH2-OE1 2.85Å; R378-E558 IonicContact NH2-OE2 3.9Å; Q554-E558 HydrophobicContact CG-CG 4.41Å; Q554-E558 PolarHBondContact O-N 3.41Å; Y555-E558 PolarHBondContact O-N 3.24Å; E558-S562 WeakPolarHBondContact O-CB 3.06Å; E558-S562 PolarHBondContact O-N 3.44Å
559I98.1Very high95.8Very high8 Ų829.4 Ų29.44%0.04115%0.151CC..Hα-helixtrans-61.9-47.8174.6-70.3165.8000110.9I520 V524 I538 W541 Y555 V556 W557 T563I520-I559 HydrophobicContact CG2-CD1 4.17Å; V524-I559 HydrophobicContact CB-CG2 4.36Å; V524-I559 HydrophobicContact CG1-CG2 3.69Å; V524-I559 HydrophobicContact CG2-CD1 4.44Å; I538-I559 HydrophobicContact CG2-CG2 3.64Å; W541-I559 HydrophobicContact CZ3-CD1 4.25Å; Y555-I559 HydrophobicContact CD2-CD1 3.92Å; Y555-I559 HydrophobicContact CE2-CD1 4.12Å; Y555-I559 WeakPolarHBondContact O-CG1 3.37Å; Y555-I559 PolarHBondContact O-N 3.12Å; V556-I559 WeakPolarHBondContact O-CB 3.07Å; V556-I559 PolarHBondContact O-N 3.44Å; W557-I559 VanDerWaalsContact C-N 3.26Å; W557-I559 PolarHBondContact O-N 3.19Å; I559-T563 WeakPolarHBondContact O-CB 3.32Å; I559-T563 PolarHBondContact O-N 3.14Å; I559-T563 PolarHBondContact O-OG1 3.44Å
560I98.3Very high96Very high1 Ų127.2 Ų27.21%0.00514%0.139CC..Hα-helixtrans-60.3-52.6179.7-67.2-64.7000110.8I539 V542 V556 W557 T563 F564 F614 L618I539-I560 HydrophobicContact CG1-CD1 3.97Å; V542-I560 HydrophobicContact CB-CD1 4.11Å; V542-I560 HydrophobicContact CG1-CD1 4.27Å; V542-I560 HydrophobicContact CG1-CG1 4.24Å; V542-I560 HydrophobicContact CG2-CD1 3.86Å; V542-I560 HydrophobicContact CG2-CG1 4.17Å; V556-I560 PolarHBondContact O-N 3.5Å; W557-I560 HydrophobicContact CE3-CG1 4.49Å; W557-I560 PolarHBondContact O-N 2.71Å; W557-I560 VanDerWaalsContact O-N 3.17Å; I560-T563 PolarHBondContact O-N 2.63Å; I560-F564 PolarHBondContact O-N 3.38Å; I560-F564 VanDerWaalsContact O-N 3.09Å; I560-F614 HydrophobicContact CG2-CE1 4.42Å; I560-F614 HydrophobicContact CG2-CZ 3.92Å; I560-F614 WeakPolarHBondContact O-CZ 3.17Å; I560-L618 HydrophobicContact CG2-CD1 4.32Å; I560-L618 HydrophobicContact CG2-CD2 4.1Å
561F97.3Very high96.1Very high26 Ų2628 Ų2811%0.11414%0.142CC..Hα-helixtrans-63.3-45.7179.2-76.2-69.1000112W557 T563 F564 D565 Q653 F654 T657W557-F561 HydrophobicContact CB-CD2 4.42Å; W557-F561 HydrophobicContact CB-CE2 4.42Å; W557-F561 WeakPolarHBondContact O-CD2 3.44Å; W557-F561 PolarHBondContact O-N 3.49Å; F561-T563 PolarHBondContact O-N 3.49Å; F561-F564 PolarHBondContact O-N 2.9Å; F561-D565 WeakPolarHBondContact O-CB 3.36Å; F561-D565 VanDerWaalsContact O-CG 3.28Å; F561-D565 PolarHBondContact O-N 3.4Å; F561-Q653 HydrophobicContact CE1-CG 4.39Å; F561-Q653 HydrophobicContact CE2-CG 4.16Å; F561-Q653 HydrophobicContact CZ-CB 4.32Å; F561-Q653 HydrophobicContact CZ-CG 3.59Å; F561-F654 HydrophobicContact CD1-CD2 4.22Å; F561-F654 HydrophobicContact CD1-CE2 4.41Å; F561-F654 AromaticContact CE1-CD2 3.57Å; F561-F654 HydrophobicContact CE1-CD2 3.57Å; F561-F654 HydrophobicContact CE1-CE2 4.18Å; F561-F654 HydrophobicContact CE1-CG 4.49Å; F561-F654 HydrophobicContact CZ-CD2 4.04Å; F561-T657 WeakPolarHBondContact CE1-OG1 3.44Å
562S97Very high96Very high44 Ų4434.5 Ų34.531%0.30817%0.166SC..Hα-helixtrans-60.4-33.4177.5-178.60000112.8E558 K566E558-S562 WeakPolarHBondContact O-CB 3.06Å; E558-S562 PolarHBondContact O-N 3.44Å; S562-K566 WeakPolarHBondContact O-CG 3.41Å; S562-K566 PolarHBondContact O-N 3.43Å; S562-K566 PolarHBondContact O-NZ 2.54Å; S562-K566 PolarHBondContact OG-NZ 3.31Å
563T98.2Very high96.1Very high2 Ų236.5 Ų36.51%0.01218%0.179CC..Hα-helixtrans-70.2-48175.9-58.40000110.4F528 A535 I538 I559 I560 F561 K566 L567 F614F528-T563 HydrophobicContact CD1-CG2 4.29Å; F528-T563 HydrophobicContact CD2-CG2 4.17Å; F528-T563 HydrophobicContact CE1-CG2 4.24Å; F528-T563 HydrophobicContact CE2-CG2 4.13Å; F528-T563 HydrophobicContact CG-CG2 4.26Å; F528-T563 HydrophobicContact CZ-CG2 4.16Å; A535-T563 HydrophobicContact CB-CG2 3.71Å; I538-T563 HydrophobicContact CD1-CG2 3.97Å; I559-T563 WeakPolarHBondContact O-CB 3.32Å; I559-T563 PolarHBondContact O-N 3.14Å; I559-T563 PolarHBondContact O-OG1 3.44Å; I560-T563 PolarHBondContact O-N 2.63Å; F561-T563 PolarHBondContact O-N 3.49Å; T563-K566 PolarHBondContact O-N 2.98Å; T563-L567 PolarHBondContact O-N 3.49Å; T563-F614 HydrophobicContact CG2-CD2 4.45Å; T563-F614 HydrophobicContact CG2-CE2 3.88Å
564F98Very high96.1Very high0 Ų035.9 Ų35.90%018%0.178CC..Hα-helixtrans-65.6-44.1179.9-169-107.5000112.7I560 F561 K566 L567 C568 Q611 F614 I615 F654 Q658 E661I560-F564 PolarHBondContact O-N 3.38Å; I560-F564 VanDerWaalsContact O-N 3.09Å; F561-F564 PolarHBondContact O-N 2.9Å; F564-K566 PolarHBondContact O-N 3.09Å; F564-K566 VanDerWaalsContact O-N 3.13Å; F564-L567 HydrophobicContact CD2-CD1 4.33Å; F564-L567 WeakPolarHBondContact O-CA 3.44Å; F564-L567 WeakPolarHBondContact O-CB 3.19Å; F564-L567 PolarHBondContact O-N 2.6Å; F564-C568 WeakPolarHBondContact CE1-SG 3.38Å; F564-C568 PolarHBondContact O-N 3.17Å; F564-C568 PolarHBondContact O-SG 2.97Å; F564-Q611 HydrophobicContact CE2-CB 4.39Å; F564-Q611 HydrophobicContact CE2-CG 4.46Å; F564-F614 HydrophobicContact CB-CD1 4.2Å; F564-F614 HydrophobicContact CB-CE1 3.65Å; F564-F614 HydrophobicContact CB-CE2 4.42Å; F564-F614 HydrophobicContact CB-CZ 3.76Å; F564-F614 HydrophobicContact CD2-CB 4.24Å; F564-F614 AromaticContact CD2-CD1 3.21Å; F564-F614 HydrophobicContact CD2-CD1 3.21Å; F564-F614 HydrophobicContact CD2-CD2 4.5Å; F564-F614 AromaticContact CD2-CE1 3.56Å; F564-F614 HydrophobicContact CD2-CE1 3.56Å; F564-F614 AromaticContact CD2-CG 3.73Å; F564-F614 HydrophobicContact CD2-CG 3.73Å; F564-F614 HydrophobicContact CD2-CZ 4.32Å; F564-F614 HydrophobicContact CE2-CB 4.5Å; F564-F614 AromaticContact CE2-CD1 3.86Å; F564-F614 HydrophobicContact CE2-CD1 3.86Å; F564-F614 HydrophobicContact CE2-CG 4.39Å; F564-F614 AromaticContact CG-CD1 3.99Å; F564-F614 HydrophobicContact CG-CD1 3.99Å; F564-F614 AromaticContact CG-CE1 3.85Å; F564-F614 HydrophobicContact CG-CE1 3.85Å; F564-F614 HydrophobicContact CG-CZ 4.43Å; F564-I615 HydrophobicContact CE2-CD1 4.03Å; F564-I615 HydrophobicContact CE2-CG1 3.72Å; F564-I615 HydrophobicContact CZ-CD1 3.93Å; F564-I615 HydrophobicContact CZ-CG1 3.98Å; F564-F654 HydrophobicContact CB-CE2 4.38Å; F564-F654 HydrophobicContact CB-CZ 4.43Å; F564-F654 HydrophobicContact CD1-CE2 4.3Å; F564-F654 AromaticContact CD1-CZ 3.93Å; F564-F654 HydrophobicContact CD1-CZ 3.93Å; F564-F654 HydrophobicContact CD2-CZ 4.09Å; F564-F654 HydrophobicContact CE1-CZ 4.17Å; F564-F654 HydrophobicContact CE2-CZ 4.32Å; F564-F654 HydrophobicContact CG-CE2 4.24Å; F564-F654 AromaticContact CG-CZ 3.86Å; F564-F654 HydrophobicContact CG-CZ 3.86Å; F564-F654 HydrophobicContact CZ-CZ 4.34Å; F564-Q658 HydrophobicContact CD1-CB 4.18Å; F564-Q658 VanDerWaalsContact CD1-CD 3.42Å; F564-Q658 HydrophobicContact CD1-CG 3.61Å; F564-Q658 HydrophobicContact CE1-CB 3.68Å; F564-Q658 HydrophobicContact CE1-CG 3.65Å; F564-E661 HydrophobicContact CE1-CB 4.09Å; F564-E661 HydrophobicContact CE1-CG 4.15Å; F564-E661 HydrophobicContact CZ-CB 3.77Å; F564-E661 HydrophobicContact CZ-CG 4.13Å
565D96.1Very high95.9Very high63 Ų6336.6 Ų36.634%0.33718%0.183SC..Hα-helixtrans-57.1-33.2178.6-73.8-16.6000111.6F561 C568 I569 Q658F561-D565 WeakPolarHBondContact O-CB 3.36Å; F561-D565 VanDerWaalsContact O-CG 3.28Å; F561-D565 PolarHBondContact O-N 3.4Å; D565-C568 WeakPolarHBondContact O-CB 3.32Å; D565-C568 PolarHBondContact O-N 3.49Å; D565-I569 VanDerWaalsContact O-CG1 3.23Å; D565-I569 WeakPolarHBondContact O-CG1 3.43Å; D565-I569 PolarHBondContact O-N 3.28Å; D565-Q658 PolarHBondContact OD1-NE2 3.1Å
566K96.4Very high95.8Very high34 Ų3440.3 Ų40.315%0.14820%0.204CC..Hα-helixtrans-71.2-36.5174.8-73.2-176.7-158.991.60113.2D525 F528 R529 S562 T563 F564 C568 I569 N570D525-K566 VanDerWaalsContact CG-NZ 3.33Å; D525-K566 WeakPolarHBondContact OD1-CD 3.38Å; D525-K566 WeakPolarHBondContact OD1-CE 3.37Å; D525-K566 IonicContact OD1-NZ 3.64Å; D525-K566 PolarHBondContact OD1-NZ 2.92Å; D525-K566 IonicContact OD2-NZ 3.87Å; F528-K566 HydrophobicContact CD1-CD 4.31Å; F528-K566 HydrophobicContact CE1-CB 3.83Å; F528-K566 HydrophobicContact CE1-CD 4.34Å; R529-K566 HydrophobicContact CG-CD 4.22Å; S562-K566 WeakPolarHBondContact O-CG 3.41Å; S562-K566 PolarHBondContact O-N 3.43Å; S562-K566 PolarHBondContact O-NZ 2.54Å; S562-K566 PolarHBondContact OG-NZ 3.31Å; T563-K566 PolarHBondContact O-N 2.98Å; F564-K566 PolarHBondContact O-N 3.09Å; F564-K566 VanDerWaalsContact O-N 3.13Å; K566-C568 VanDerWaalsContact C-N 3.27Å; K566-C568 PolarHBondContact O-N 2.86Å; K566-I569 PolarHBondContact O-N 3.28Å; K566-N570 WeakPolarHBondContact O-CB 3.38Å; K566-N570 VanDerWaalsContact O-CG 3.22Å; K566-N570 PolarHBondContact O-N 3.45Å; K566-N570 PolarHBondContact O-OD1 3.41Å
567L97.1Very high95.5Very high14 Ų1445.6 Ų45.67%0.07323%0.227CC..Hα-helixtrans-61.6-40170.6-65.5173000110.7F528 A535 T563 F564 Y571 Q611 F614F528-L567 HydrophobicContact CE2-CD2 4.39Å; F528-L567 HydrophobicContact CZ-CD2 3.74Å; F528-L567 HydrophobicContact CZ-CG 4.02Å; A535-L567 HydrophobicContact CB-CD1 4.07Å; T563-L567 PolarHBondContact O-N 3.49Å; F564-L567 HydrophobicContact CD2-CD1 4.33Å; F564-L567 WeakPolarHBondContact O-CA 3.44Å; F564-L567 WeakPolarHBondContact O-CB 3.19Å; F564-L567 PolarHBondContact O-N 2.6Å; L567-Y571 PolarHBondContact O-N 3.12Å; L567-Y571 VanDerWaalsContact O-N 3.14Å; L567-Q611 HydrophobicContact CB-CG 3.95Å; L567-Q611 PolarHBondContact O-NE2 3.23Å; L567-Q611 VanDerWaalsContact O-NE2 3.16Å; L567-F614 HydrophobicContact CD1-CB 3.93Å; L567-F614 HydrophobicContact CD1-CD2 4.1Å; L567-F614 HydrophobicContact CD1-CG 4.16Å
568C94.8Very high95.2Very high18 Ų1846.3 Ų46.312%0.12223%0.231CC..Hα-helixtrans-65.5-44.7175-61.50000112.4F564 D565 K566 N570 Y571 R572F564-C568 WeakPolarHBondContact CE1-SG 3.38Å; F564-C568 PolarHBondContact O-N 3.17Å; F564-C568 PolarHBondContact O-SG 2.97Å; D565-C568 WeakPolarHBondContact O-CB 3.32Å; D565-C568 PolarHBondContact O-N 3.49Å; K566-C568 VanDerWaalsContact C-N 3.27Å; K566-C568 PolarHBondContact O-N 2.86Å; C568-N570 PolarHBondContact O-N 3.47Å; C568-Y571 PolarHBondContact O-N 3.11Å; C568-R572 PolarHBondContact O-N 3.27Å
569I94.9Very high94.8Very high80 Ų8048.5 Ų48.541%0.4124%0.241SC..Hα-helixtrans-60.9-44.7177.5-71.4163.1000110.8D565 K566 Y571 R572 V573D565-I569 VanDerWaalsContact O-CG1 3.23Å; D565-I569 WeakPolarHBondContact O-CG1 3.43Å; D565-I569 PolarHBondContact O-N 3.28Å; K566-I569 PolarHBondContact O-N 3.28Å; I569-Y571 PolarHBondContact O-N 3.49Å; I569-R572 PolarHBondContact O-N 3.35Å; I569-V573 HydrophobicContact CG2-CG2 4.27Å; I569-V573 WeakPolarHBondContact O-CB 3.5Å; I569-V573 VanDerWaalsContact O-CG2 3.3Å; I569-V573 WeakPolarHBondContact O-CG2 3.45Å; I569-V573 PolarHBondContact O-N 2.81Å
570N94.1Very high94.3Very high85 Ų8551.1 Ų51.146%0.45526%0.263SS..Hα-helixtrans-60.9-45.7178.7-72-6.8000111.7K566 C568 V573 L574K566-N570 WeakPolarHBondContact O-CB 3.38Å; K566-N570 VanDerWaalsContact O-CG 3.22Å; K566-N570 PolarHBondContact O-N 3.45Å; K566-N570 PolarHBondContact O-OD1 3.41Å; C568-N570 PolarHBondContact O-N 3.47Å; N570-V573 PolarHBondContact O-N 2.99Å; N570-L574 WeakPolarHBondContact O-CG 3.36Å; N570-L574 PolarHBondContact O-N 2.99Å; N570-L574 VanDerWaalsContact O-N 3.15Å
571Y95Very high93.6Very high39 Ų3951.9 Ų51.915%0.15327%0.268CS..Hα-helixtrans-57.9-50.5174.2172.7-90.5000111.6L567 C568 I569 V573 L574 S575 L604 C607 L608 R664L567-Y571 PolarHBondContact O-N 3.12Å; L567-Y571 VanDerWaalsContact O-N 3.14Å; C568-Y571 PolarHBondContact O-N 3.11Å; I569-Y571 PolarHBondContact O-N 3.49Å; Y571-V573 PolarHBondContact O-N 3.23Å; Y571-L574 PolarHBondContact O-N 2.79Å; Y571-S575 WeakPolarHBondContact O-CB 3.33Å; Y571-S575 PolarHBondContact O-N 2.85Å; Y571-L604 HydrophobicContact CD2-CD1 3.38Å; Y571-L604 HydrophobicContact CD2-CG 3.94Å; Y571-L604 HydrophobicContact CE2-CD1 3.29Å; Y571-L604 HydrophobicContact CE2-CD2 4.07Å; Y571-L604 HydrophobicContact CE2-CG 3.51Å; Y571-L604 HydrophobicContact CG-CD1 4.09Å; Y571-C607 HydrophobicContact CD2-CB 4.19Å; Y571-L608 HydrophobicContact CD2-CD2 3.84Å; Y571-L608 HydrophobicContact CD2-CG 3.91Å; Y571-L608 HydrophobicContact CE2-CD1 4.02Å; Y571-L608 HydrophobicContact CE2-CD2 3.44Å; Y571-L608 VanDerWaalsContact CE2-CD2 3.44Å; Y571-L608 HydrophobicContact CE2-CG 3.57Å; Y571-R664 VanDerWaalsContact CE1-NH1 3.33Å; Y571-R664 VanDerWaalsContact CZ-NH1 3.33Å
572R93.1Very high93Very high148 Ų14853.8 Ų53.856%0.55828%0.282SS*.Hα-helixtrans-61-45.3-178.1-173.7178.363.8-171.6-2.3111.6C568 I569 L574 S575 D576C568-R572 PolarHBondContact O-N 3.27Å; I569-R572 PolarHBondContact O-N 3.35Å; R572-L574 VanDerWaalsContact C-N 3.26Å; R572-L574 PolarHBondContact O-N 3.4Å; R572-S575 WeakPolarHBondContact O-CB 3.44Å; R572-S575 PolarHBondContact O-N 3.18Å; R572-D576 WeakPolarHBondContact O-CB 3.43Å; R572-D576 PolarHBondContact O-N 2.95Å
573V94.4Very high92.1Very high63 Ų6353 Ų5338%0.38228%0.281SS..Hα-helixtrans-59.7-36.9178169.10000111.9I569 N570 Y571 K577I569-V573 HydrophobicContact CG2-CG2 4.27Å; I569-V573 WeakPolarHBondContact O-CB 3.5Å; I569-V573 VanDerWaalsContact O-CG2 3.3Å; I569-V573 WeakPolarHBondContact O-CG2 3.45Å; I569-V573 PolarHBondContact O-N 2.81Å; N570-V573 PolarHBondContact O-N 2.99Å; Y571-V573 PolarHBondContact O-N 3.23Å; V573-K577 HydrophobicContact CG1-CD 4.49Å; V573-K577 WeakPolarHBondContact O-CD 3.26Å; V573-K577 VanDerWaalsContact O-CG 3.24Å; V573-K577 WeakPolarHBondContact O-CG 3.32Å; V573-K577 PolarHBondContact O-N 3.08Å
574L94.2Very high90.4Very high39 Ų3962.6 Ų62.620%0.20433%0.326CS..Hα-helixtrans-75.2-39.4175.6-69.5178000112.3N570 Y571 R572 K577 L578 L600 L604N570-L574 WeakPolarHBondContact O-CG 3.36Å; N570-L574 PolarHBondContact O-N 2.99Å; N570-L574 VanDerWaalsContact O-N 3.15Å; Y571-L574 PolarHBondContact O-N 2.79Å; R572-L574 VanDerWaalsContact C-N 3.26Å; R572-L574 PolarHBondContact O-N 3.4Å; L574-K577 WeakPolarHBondContact O-CB 3.34Å; L574-K577 PolarHBondContact O-N 3.21Å; L574-L578 PolarHBondContact O-N 3.28Å; L574-L600 HydrophobicContact CD2-CD2 4.09Å; L574-L604 HydrophobicContact CB-CD1 4.15Å
575S92.2Very high88.7Confident19 Ų1970.7 Ų70.713%0.13337%0.369CS..Hα-helixtrans-58.8-50.1175-1630000111.1Y571 R572 K577 L578 E579Y571-S575 WeakPolarHBondContact O-CB 3.33Å; Y571-S575 PolarHBondContact O-N 2.85Å; R572-S575 WeakPolarHBondContact O-CB 3.44Å; R572-S575 PolarHBondContact O-N 3.18Å; S575-K577 VanDerWaalsContact C-N 3.25Å; S575-K577 PolarHBondContact O-N 2.82Å; S575-L578 WeakPolarHBondContact O-CB 3.22Å; S575-L578 PolarHBondContact O-N 3.29Å; S575-L578 VanDerWaalsContact O-N 3.1Å; S575-E579 PolarHBondContact O-N 3.39Å
576D91Very high87.2Confident86 Ų8672.9 Ų72.946%0.4637%0.373SS..Hα-helixtrans-60.1-37.3178.8-62.7-11.8000111.3R572 A580R572-D576 WeakPolarHBondContact O-CB 3.43Å; R572-D576 PolarHBondContact O-N 2.95Å; D576-A580 WeakPolarHBondContact O-CB 3.48Å; D576-A580 PolarHBondContact O-N 3.24Å
577K91.9Very high85.5Confident112 Ų11274.2 Ų74.249%0.48739%0.386SS..Hα-helixtrans-67.7-43.1175.4-76.4173.3-177.6-178.90112V573 L574 S575 A580 V581 L600V573-K577 HydrophobicContact CG1-CD 4.49Å; V573-K577 WeakPolarHBondContact O-CD 3.26Å; V573-K577 VanDerWaalsContact O-CG 3.24Å; V573-K577 WeakPolarHBondContact O-CG 3.32Å; V573-K577 PolarHBondContact O-N 3.08Å; L574-K577 WeakPolarHBondContact O-CB 3.34Å; L574-K577 PolarHBondContact O-N 3.21Å; S575-K577 VanDerWaalsContact C-N 3.25Å; S575-K577 PolarHBondContact O-N 2.82Å; K577-A580 PolarHBondContact O-N 3.02Å; K577-V581 WeakPolarHBondContact O-CG2 3.1Å; K577-V581 PolarHBondContact O-N 3.22Å; K577-V581 VanDerWaalsContact O-N 3.15Å; K577-L600 HydrophobicContact CB-CD1 4.42Å; K577-L600 HydrophobicContact CB-CD2 4.17Å
578L90Very high83.8Confident19 Ų1979.6 Ų79.610%0.09942%0.422CS..Hα-helixtrans-63.4-43.5178179.865.6000111.1L574 S575 A580 V581 T582 V597 L600 L604L574-L578 PolarHBondContact O-N 3.28Å; S575-L578 WeakPolarHBondContact O-CB 3.22Å; S575-L578 PolarHBondContact O-N 3.29Å; S575-L578 VanDerWaalsContact O-N 3.1Å; L578-A580 VanDerWaalsContact C-N 3.32Å; L578-A580 PolarHBondContact O-N 3.5Å; L578-V581 PolarHBondContact O-N 3.25Å; L578-T582 HydrophobicContact CD1-CG2 3.98Å; L578-T582 WeakPolarHBondContact O-CB 3.38Å; L578-T582 WeakPolarHBondContact O-CG2 3.43Å; L578-T582 PolarHBondContact O-N 2.9Å; L578-T582 PolarHBondContact O-OG1 2.96Å; L578-V597 HydrophobicContact CD1-CG1 4.03Å; L578-L600 HydrophobicContact CB-CB 4.41Å; L578-L600 HydrophobicContact CD1-CB 4Å; L578-L600 HydrophobicContact CD1-CD1 4.49Å; L578-L604 HydrophobicContact CD2-CD2 4.29Å
579E88Confident82.3Confident119 Ų11987.7 Ų87.756%0.55646%0.458SS*.Hα-helixtrans-62.3-38.9174.4-73.3179-164.900111.8S575 V581 T582 G583S575-E579 PolarHBondContact O-N 3.39Å; E579-V581 PolarHBondContact O-N 3.38Å; E579-T582 PolarHBondContact O-N 3.42Å; E579-G583 VanDerWaalsContact O-CA 3.31Å; E579-G583 WeakPolarHBondContact O-CA 3.48Å; E579-G583 PolarHBondContact O-N 3.45Å
580A87.6Confident80.7Confident62 Ų6291.7 Ų91.751%0.51247%0.468SS..Hα-helixtrans-66.5-24.8176.500000113.6D576 K577 L578D576-A580 WeakPolarHBondContact O-CB 3.48Å; D576-A580 PolarHBondContact O-N 3.24Å; K577-A580 PolarHBondContact O-N 3.02Å; L578-A580 VanDerWaalsContact C-N 3.32Å; L578-A580 PolarHBondContact O-N 3.5Å
581V85.4Confident79.1Confident18 Ų1892.6 Ų92.611%0.10948%0.481CS..Hα-helixtrans-89.3-35.1178176.60000111.9K577 L578 E579 V597 L600K577-V581 WeakPolarHBondContact O-CG2 3.1Å; K577-V581 PolarHBondContact O-N 3.22Å; K577-V581 VanDerWaalsContact O-N 3.15Å; L578-V581 PolarHBondContact O-N 3.25Å; E579-V581 PolarHBondContact O-N 3.38Å; V581-V597 HydrophobicContact CG1-CG2 3.65Å; V581-L600 HydrophobicContact CG2-CD1 4.18Å
582T84.2Confident77.9Confident65 Ų6595.1 Ų95.140%0.39949%0.494SS..Hα-helixtrans-101.4-15.5-173.958.40000114.6L578 E579 V597L578-T582 HydrophobicContact CD1-CG2 3.98Å; L578-T582 WeakPolarHBondContact O-CB 3.38Å; L578-T582 WeakPolarHBondContact O-CG2 3.43Å; L578-T582 PolarHBondContact O-N 2.9Å; L578-T582 PolarHBondContact O-OG1 2.96Å; E579-T582 PolarHBondContact O-N 3.42Å; T582-V597 HydrophobicContact CG2-CG1 4.07Å; T582-V597 HydrophobicContact CG2-CG2 4.09Å
583G77.1Confident77.5Confident29 Ų2991.9 Ų91.930%0.29949%0.488SS..SBendtrans-74.4157.2-172.600000115.1E579 N585 R586E579-G583 VanDerWaalsContact O-CA 3.31Å; E579-G583 WeakPolarHBondContact O-CA 3.48Å; E579-G583 PolarHBondContact O-N 3.45Å; G583-N585 PolarHBondContact O-N 3.34Å; G583-N585 VanDerWaalsContact O-N 3.1Å; G583-R586 PolarHBondContact O-N 3.46Å; G583-R586 VanDerWaalsContact O-N 3.1Å
584E64Low77.1Confident203 Ų20393.8 Ų93.895%0.94950%0.501SS*.THydrogen-bonded Turntrans-60.5-22.4-178.7-64.6-174.9158.100114R586E584-R586 VanDerWaalsContact C-N 3.27Å; E584-R586 PolarHBondContact O-N 3.25Å
585N60.8Low76.9Confident169 Ų16994.8 Ų94.890%0.90452%0.516SS*.THydrogen-bonded Turntrans-85.614.6177.9-74.6-33.4000113.9G583 S587G583-N585 PolarHBondContact O-N 3.34Å; G583-N585 VanDerWaalsContact O-N 3.1Å; N585-S587 PolarHBondContact O-N 3.27Å
586R65Low76.8Confident109 Ų10998.6 Ų98.641%0.41153%0.531SS..  trans-58.4136.5178.981.8-178.3-165-168.33.8111G583 E584 E592G583-R586 PolarHBondContact O-N 3.46Å; G583-R586 VanDerWaalsContact O-N 3.1Å; E584-R586 VanDerWaalsContact C-N 3.27Å; E584-R586 PolarHBondContact O-N 3.25Å; R586-E592 IonicContact CZ-OE1 3.66Å; R586-E592 IonicContact NH1-OE1 2.74Å; R586-E592 PolarHBondContact NH1-OE1 3.08Å; R586-E592 IonicContact NH1-OE2 2.69Å
587S62.1Low76.8Confident63 Ų6396 Ų9644%0.44152%0.518SS..  trans-61127.9168.741.20000109.4N585 E589 R590N585-S587 PolarHBondContact O-N 3.27Å; S587-E589 PolarHBondContact O-N 3.45Å; S587-R590 PolarHBondContact O-N 2.89Å
588P61.3Low76.9Confident126 Ų12695.4 Ų95.482%0.81852%0.52SS*.THydrogen-bonded Turntrans-61.4-13.6-170.320.9-32000114.8
589E62.1Low77.2Confident188 Ų18897.2 Ų97.288%0.87954%0.538SS*.THydrogen-bonded Turntrans-83-14.5177.5-63.7-177.9169.600114.1S587S587-E589 PolarHBondContact O-N 3.45Å
590R61.2Low77.5Confident165 Ų16592.5 Ų92.562%0.62352%0.516SS*.  trans-92.3101.4173.3-80.8-177.1172.4-178.6-4.7109.2S587S587-R590 PolarHBondContact O-N 2.89Å
591S61.7Low77.8Confident103 Ų10393.5 Ų93.572%0.7251%0.51SS*.  trans-64.7132.7161.361.90000108.3D593S591-D593 PolarHBondContact O-N 3.37Å
592E69.9Low78.3Confident92 Ų9298.3 Ų98.343%0.4353%0.531SS..  trans-53.4109.4166.9-82.5161.9-152.200108.5R586 P594R586-E592 IonicContact CZ-OE1 3.66Å; R586-E592 IonicContact NH1-OE1 2.74Å; R586-E592 PolarHBondContact NH1-OE1 3.08Å; R586-E592 IonicContact NH1-OE2 2.69Å; E592-P594 VanDerWaalsContact O-CD 3.22Å; E592-P594 WeakPolarHBondContact O-CD 3.28Å
593D83Confident78.9Confident81 Ų8196.3 Ų96.343%0.43352%0.524SS..  trans-78.2110166.3-176-9.8000106.9S591 A595 E596 V597S591-D593 PolarHBondContact O-N 3.37Å; D593-A595 PolarHBondContact O-N 2.98Å; D593-A595 VanDerWaalsContact O-N 3.1Å; D593-A595 WeakPolarHBondContact OD1-CB 3.28Å; D593-A595 PolarHBondContact OD1-N 3.42Å; D593-E596 HydrophobicContact CB-CB 4.05Å; D593-E596 PolarHBondContact O-N 3.33Å; D593-V597 PolarHBondContact O-N 3.5Å; D593-V597 VanDerWaalsContact O-N 3.15Å
594P86Confident79.8Confident102 Ų10295.6 Ų95.666%0.66251%0.513SS*.Hα-helixtrans-58.5-26.6-178.8-22.434.9000112.5E592 L598E592-P594 VanDerWaalsContact O-CD 3.22Å; E592-P594 WeakPolarHBondContact O-CD 3.28Å; P594-L598 VanDerWaalsContact O-CB 3.31Å; P594-L598 WeakPolarHBondContact O-CB 3.26Å; P594-L598 PolarHBondContact O-N 3.35Å
595A90.7Very high81.3Confident61 Ų6190.5 Ų90.550%0.50449%0.492SS..Hα-helixtrans-71.8-38.4177.200000112.1D593 A599D593-A595 PolarHBondContact O-N 2.98Å; D593-A595 VanDerWaalsContact O-N 3.1Å; D593-A595 WeakPolarHBondContact OD1-CB 3.28Å; D593-A595 PolarHBondContact OD1-N 3.42Å; A595-A599 WeakPolarHBondContact O-CB 3.41Å; A595-A599 PolarHBondContact O-N 2.95Å
596E91.1Very high83Confident99 Ų9985.3 Ų85.346%0.46347%0.473SS..Hα-helixtrans-66.5-45175.8-175.7177.4-170.600110.8D593 L598 A599 L600D593-E596 HydrophobicContact CB-CB 4.05Å; D593-E596 PolarHBondContact O-N 3.33Å; E596-L598 PolarHBondContact O-N 3.09Å; E596-A599 PolarHBondContact O-N 2.89Å; E596-L600 HydrophobicContact CG-CD1 4.17Å; E596-L600 WeakPolarHBondContact O-CG 3.48Å; E596-L600 PolarHBondContact O-N 3.01Å
597V91Very high84.5Confident30 Ų3081 Ų8118%0.18246%0.459CS..Hα-helixtrans-60.1-46.4176.8175.90000110.6L578 V581 T582 D593 A599 L600 Q601L578-V597 HydrophobicContact CD1-CG1 4.03Å; V581-V597 HydrophobicContact CG1-CG2 3.65Å; T582-V597 HydrophobicContact CG2-CG1 4.07Å; T582-V597 HydrophobicContact CG2-CG2 4.09Å; D593-V597 PolarHBondContact O-N 3.5Å; D593-V597 VanDerWaalsContact O-N 3.15Å; V597-A599 PolarHBondContact O-N 2.98Å; V597-L600 PolarHBondContact O-N 3.41Å; V597-Q601 WeakPolarHBondContact O-CB 3.28Å; V597-Q601 PolarHBondContact O-N 2.95Å
598L93.9Very high86.1Confident100 Ų10080 Ų8052%0.52445%0.448SS..Hα-helixtrans-60.9-45.4177.9-176.165.6000111.7P594 E596 L600 Q601 E602P594-L598 VanDerWaalsContact O-CB 3.31Å; P594-L598 WeakPolarHBondContact O-CB 3.26Å; P594-L598 PolarHBondContact O-N 3.35Å; E596-L598 PolarHBondContact O-N 3.09Å; L598-L600 VanDerWaalsContact C-N 3.35Å; L598-L600 PolarHBondContact O-N 2.97Å; L598-Q601 WeakPolarHBondContact O-CB 3.41Å; L598-Q601 PolarHBondContact O-N 2.82Å; L598-E602 WeakPolarHBondContact O-CG 3.45Å; L598-E602 PolarHBondContact O-N 3.33Å
599A94.5Very high87.8Confident57 Ų5775.9 Ų75.947%0.47143%0.429SS..Hα-helixtrans-63.8-38.6178.700000112.6A595 E596 V597 G603A595-A599 WeakPolarHBondContact O-CB 3.41Å; A595-A599 PolarHBondContact O-N 2.95Å; E596-A599 PolarHBondContact O-N 2.89Å; V597-A599 PolarHBondContact O-N 2.98Å; A599-G603 PolarHBondContact O-N 3.37Å
600L94.6Very high89.4Confident21 Ų2169.5 Ų69.511%0.1141%0.406CS..Hα-helixtrans-66.6-40.4174.2-72.5172.7000111.5L574 K577 L578 V581 E596 V597 L598 G603 L604L574-L600 HydrophobicContact CD2-CD2 4.09Å; K577-L600 HydrophobicContact CB-CD1 4.42Å; K577-L600 HydrophobicContact CB-CD2 4.17Å; L578-L600 HydrophobicContact CB-CB 4.41Å; L578-L600 HydrophobicContact CD1-CB 4Å; L578-L600 HydrophobicContact CD1-CD1 4.49Å; V581-L600 HydrophobicContact CG2-CD1 4.18Å; E596-L600 HydrophobicContact CG-CD1 4.17Å; E596-L600 WeakPolarHBondContact O-CG 3.48Å; E596-L600 PolarHBondContact O-N 3.01Å; V597-L600 PolarHBondContact O-N 3.41Å; L598-L600 VanDerWaalsContact C-N 3.35Å; L598-L600 PolarHBondContact O-N 2.97Å; L600-G603 PolarHBondContact O-N 3.19Å; L600-L604 WeakPolarHBondContact O-CB 3.28Å; L600-L604 PolarHBondContact O-N 3.41Å
601Q94.8Very high91.1Very high82 Ų8261.7 Ų61.738%0.38338%0.376SS..Hα-helixtrans-62.4-48.9176.3-157.883.320.600111.1V597 L598 G603 L604 D605V597-Q601 WeakPolarHBondContact O-CB 3.28Å; V597-Q601 PolarHBondContact O-N 2.95Å; L598-Q601 WeakPolarHBondContact O-CB 3.41Å; L598-Q601 PolarHBondContact O-N 2.82Å; Q601-G603 VanDerWaalsContact C-N 3.3Å; Q601-G603 PolarHBondContact O-N 3.37Å; Q601-L604 WeakPolarHBondContact O-CB 3.45Å; Q601-L604 PolarHBondContact O-N 2.74Å; Q601-L604 VanDerWaalsContact O-N 3.12Å; Q601-D605 PolarHBondContact O-N 3.16Å
602E96.3Very high92.8Very high119 Ų11959.9 Ų59.956%0.55636%0.355SS*.Hα-helixtrans-60-40.4176.2-72.7178.1170.700111.7L598 L604 D605 A606L598-E602 WeakPolarHBondContact O-CG 3.45Å; L598-E602 PolarHBondContact O-N 3.33Å; E602-L604 VanDerWaalsContact C-N 3.34Å; E602-D605 PolarHBondContact O-N 2.9Å; E602-A606 WeakPolarHBondContact O-CB 3.37Å; E602-A606 PolarHBondContact O-N 3.3Å
603G96.2Very high94.1Very high23 Ų2357.4 Ų57.424%0.23735%0.351CS..Hα-helixtrans-64.6-36.8174.800000113.2A599 L600 Q601 A606 C607A599-G603 PolarHBondContact O-N 3.37Å; L600-G603 PolarHBondContact O-N 3.19Å; Q601-G603 VanDerWaalsContact C-N 3.3Å; Q601-G603 PolarHBondContact O-N 3.37Å; G603-A606 PolarHBondContact O-N 2.94Å; G603-C607 PolarHBondContact O-N 2.73Å; G603-C607 PolarHBondContact O-SG 3.2Å
604L95.5Very high94.8Very high15 Ų1553.6 Ų53.68%0.07933%0.33CS..Hα-helixtrans-67.8-43.7176.2-16272.8000111.1Y571 L574 L578 L600 Q601 E602 A606 C607 L608Y571-L604 HydrophobicContact CD2-CD1 3.38Å; Y571-L604 HydrophobicContact CD2-CG 3.94Å; Y571-L604 HydrophobicContact CE2-CD1 3.29Å; Y571-L604 HydrophobicContact CE2-CD2 4.07Å; Y571-L604 HydrophobicContact CE2-CG 3.51Å; Y571-L604 HydrophobicContact CG-CD1 4.09Å; L574-L604 HydrophobicContact CB-CD1 4.15Å; L578-L604 HydrophobicContact CD2-CD2 4.29Å; L600-L604 WeakPolarHBondContact O-CB 3.28Å; L600-L604 PolarHBondContact O-N 3.41Å; Q601-L604 WeakPolarHBondContact O-CB 3.45Å; Q601-L604 PolarHBondContact O-N 2.74Å; Q601-L604 VanDerWaalsContact O-N 3.12Å; E602-L604 VanDerWaalsContact C-N 3.34Å; L604-A606 VanDerWaalsContact C-N 3.33Å; L604-A606 PolarHBondContact O-N 3.4Å; L604-C607 WeakPolarHBondContact O-CB 3.28Å; L604-C607 PolarHBondContact O-N 2.87Å; L604-L608 WeakPolarHBondContact O-CG 3.42Å; L604-L608 PolarHBondContact O-N 3.49Å
605D96.2Very high95.4Very high96 Ų9648.7 Ų48.751%0.51330%0.298SS..Hα-helixtrans-61.8-40.5175.5-73-22.7000111.4Q601 E602 L608 G609Q601-D605 PolarHBondContact O-N 3.16Å; E602-D605 PolarHBondContact O-N 2.9Å; D605-L608 PolarHBondContact O-N 3.03Å; D605-G609 PolarHBondContact O-N 2.82Å
606A96.3Very high95.8Very high59 Ų5947.1 Ų47.149%0.48828%0.28SS..Hα-helixtrans-64-39.5173.900000112.6E602 G603 L604 G609 S610E602-A606 WeakPolarHBondContact O-CB 3.37Å; E602-A606 PolarHBondContact O-N 3.3Å; G603-A606 PolarHBondContact O-N 2.94Å; L604-A606 VanDerWaalsContact C-N 3.33Å; L604-A606 PolarHBondContact O-N 3.4Å; A606-G609 PolarHBondContact O-N 2.71Å; A606-S610 WeakPolarHBondContact O-CB 3.36Å; A606-S610 PolarHBondContact O-N 3.33Å; A606-S610 PolarHBondContact O-OG 3.42Å
607C95.9Very high96.1Very high19 Ų1943.4 Ų43.413%0.12826%0.264CS..Hα-helixtrans-64.5-44.4174.5-72.60000111.7Y571 G603 L604 S610 Q611Y571-C607 HydrophobicContact CD2-CB 4.19Å; G603-C607 PolarHBondContact O-N 2.73Å; G603-C607 PolarHBondContact O-SG 3.2Å; L604-C607 WeakPolarHBondContact O-CB 3.28Å; L604-C607 PolarHBondContact O-N 2.87Å; C607-S610 PolarHBondContact O-N 2.78Å; C607-Q611 WeakPolarHBondContact O-CG 3.47Å; C607-Q611 PolarHBondContact O-N 3.17Å
608L95.5Very high96.5Very high41 Ų4142 Ų4222%0.21526%0.256CS..Hα-helixtrans-62.6-42.1175.2-73.2173.2000111.7Y571 L604 D605 S610 Q611 K612Y571-L608 HydrophobicContact CD2-CD2 3.84Å; Y571-L608 HydrophobicContact CD2-CG 3.91Å; Y571-L608 HydrophobicContact CE2-CD1 4.02Å; Y571-L608 HydrophobicContact CE2-CD2 3.44Å; Y571-L608 VanDerWaalsContact CE2-CD2 3.44Å; Y571-L608 HydrophobicContact CE2-CG 3.57Å; L604-L608 WeakPolarHBondContact O-CG 3.42Å; L604-L608 PolarHBondContact O-N 3.49Å; D605-L608 PolarHBondContact O-N 3.03Å; L608-S610 VanDerWaalsContact C-N 3.29Å; L608-S610 PolarHBondContact O-N 2.87Å; L608-Q611 PolarHBondContact O-N 2.8Å; L608-K612 WeakPolarHBondContact O-CB 3.48Å; L608-K612 PolarHBondContact O-N 3.04Å
609G96.8Very high96.7Very high40 Ų4037.2 Ų37.241%0.41223%0.231SC..Hα-helixtrans-58.3-41.9173.600000112.2D605 A606 K612 A613D605-G609 PolarHBondContact O-N 2.82Å; A606-G609 PolarHBondContact O-N 2.71Å; G609-K612 PolarHBondContact O-N 3.1Å; G609-A613 WeakPolarHBondContact O-CB 3.41Å; G609-A613 PolarHBondContact O-N 3.2Å
610S96.5Very high96.9Very high55 Ų5539 Ų3939%0.38523%0.23SC..Hα-helixtrans-68.3-42.4177.7-59.30000112.7A606 C607 L608 A613 F614A606-S610 WeakPolarHBondContact O-CB 3.36Å; A606-S610 PolarHBondContact O-N 3.33Å; A606-S610 PolarHBondContact O-OG 3.42Å; C607-S610 PolarHBondContact O-N 2.78Å; L608-S610 VanDerWaalsContact C-N 3.29Å; L608-S610 PolarHBondContact O-N 2.87Å; S610-A613 PolarHBondContact O-N 2.61Å; S610-F614 WeakPolarHBondContact O-CB 3.4Å; S610-F614 PolarHBondContact O-N 3.32Å
611Q96.7Very high97Very high1 Ų139.9 Ų39.91%0.00523%0.233CC..Hα-helixtrans-61.3-46.9173.8-73.3176.11.300111.1F564 L567 C607 L608 F614 I615F564-Q611 HydrophobicContact CE2-CB 4.39Å; F564-Q611 HydrophobicContact CE2-CG 4.46Å; L567-Q611 HydrophobicContact CB-CG 3.95Å; L567-Q611 PolarHBondContact O-NE2 3.23Å; L567-Q611 VanDerWaalsContact O-NE2 3.16Å; C607-Q611 WeakPolarHBondContact O-CG 3.47Å; C607-Q611 PolarHBondContact O-N 3.17Å; L608-Q611 PolarHBondContact O-N 2.8Å; Q611-F614 WeakPolarHBondContact O-CB 3.34Å; Q611-F614 PolarHBondContact O-N 2.84Å; Q611-I615 VanDerWaalsContact O-CG1 3.26Å; Q611-I615 WeakPolarHBondContact O-CG1 3.18Å; Q611-I615 PolarHBondContact O-N 3.36Å
612K97.1Very high97.2Very high65 Ų6536 Ų3628%0.28322%0.215SC..Hα-helixtrans-58.6-50.1176.7-178.3-179.2170171.80111.4L608 G609 F614 I615 F616 E668L608-K612 WeakPolarHBondContact O-CB 3.48Å; L608-K612 PolarHBondContact O-N 3.04Å; G609-K612 PolarHBondContact O-N 3.1Å; K612-F614 VanDerWaalsContact C-N 3.27Å; K612-F614 PolarHBondContact O-N 3.34Å; K612-I615 PolarHBondContact O-N 2.94Å; K612-F616 HydrophobicContact CD-CE2 4.4Å; K612-F616 HydrophobicContact CG-CD2 3.7Å; K612-F616 HydrophobicContact CG-CE2 3.72Å; K612-F616 VanDerWaalsContact O-CD2 3.29Å; K612-F616 WeakPolarHBondContact O-CD2 3.39Å; K612-F616 PolarHBondContact O-N 2.93Å; K612-E668 VanDerWaalsContact CE-OE1 3.24Å; K612-E668 WeakPolarHBondContact CE-OE1 3.35Å; K612-E668 WeakPolarHBondContact CE-OE2 2.97Å; K612-E668 IonicContact NZ-OE1 2.71Å; K612-E668 PolarHBondContact NZ-OE1 3.49Å; K612-E668 IonicContact NZ-OE2 3.77Å; K612-E668 PolarHBondContact NZ-OE2 3.33Å
613A97.4Very high97.3Very high40 Ų4031.3 Ų31.333%0.33119%0.193SC..Hα-helixtrans-57.6-41.4178.700000111.8P536 G609 S610 T617P536-A613 HydrophobicContact CG-CB 4.26Å; G609-A613 WeakPolarHBondContact O-CB 3.41Å; G609-A613 PolarHBondContact O-N 3.2Å; S610-A613 PolarHBondContact O-N 2.61Å; A613-T617 VanDerWaalsContact O-CB 3.24Å; A613-T617 WeakPolarHBondContact O-CB 3.44Å; A613-T617 PolarHBondContact O-N 2.81Å; A613-T617 PolarHBondContact O-OG1 3.07Å
614F98.3Very high97.3Very high0 Ų033.8 Ų33.80%020%0.2CC..Hα-helixtrans-60.7-53.6173.9-173.6-82.6000112.1A535 I539 I560 T563 F564 L567 S610 Q611 K612 F616 T617 L618 F654A535-F614 HydrophobicContact CB-CD2 3.58Å; A535-F614 HydrophobicContact CB-CE2 4.19Å; I539-F614 HydrophobicContact CD1-CB 4.45Å; I539-F614 HydrophobicContact CD1-CD1 4.08Å; I539-F614 HydrophobicContact CD1-CD2 3.48Å; I539-F614 VanDerWaalsContact CD1-CD2 3.48Å; I539-F614 HydrophobicContact CD1-CE1 4.18Å; I539-F614 HydrophobicContact CD1-CE2 3.62Å; I539-F614 HydrophobicContact CD1-CG 3.76Å; I539-F614 HydrophobicContact CD1-CZ 3.98Å; I539-F614 VanDerWaalsContact CD1-O 3.3Å; I539-F614 WeakPolarHBondContact CD1-O 3.34Å; I539-F614 HydrophobicContact CG1-CD2 4.2Å; I539-F614 HydrophobicContact CG1-CE2 3.87Å; I539-F614 HydrophobicContact CG1-CZ 4.19Å; I560-F614 HydrophobicContact CG2-CE1 4.42Å; I560-F614 HydrophobicContact CG2-CZ 3.92Å; I560-F614 WeakPolarHBondContact O-CZ 3.17Å; T563-F614 HydrophobicContact CG2-CD2 4.45Å; T563-F614 HydrophobicContact CG2-CE2 3.88Å; F564-F614 HydrophobicContact CB-CD1 4.2Å; F564-F614 HydrophobicContact CB-CE1 3.65Å; F564-F614 HydrophobicContact CB-CE2 4.42Å; F564-F614 HydrophobicContact CB-CZ 3.76Å; F564-F614 HydrophobicContact CD2-CB 4.24Å; F564-F614 AromaticContact CD2-CD1 3.21Å; F564-F614 HydrophobicContact CD2-CD1 3.21Å; F564-F614 HydrophobicContact CD2-CD2 4.5Å; F564-F614 AromaticContact CD2-CE1 3.56Å; F564-F614 HydrophobicContact CD2-CE1 3.56Å; F564-F614 AromaticContact CD2-CG 3.73Å; F564-F614 HydrophobicContact CD2-CG 3.73Å; F564-F614 HydrophobicContact CD2-CZ 4.32Å; F564-F614 HydrophobicContact CE2-CB 4.5Å; F564-F614 AromaticContact CE2-CD1 3.86Å; F564-F614 HydrophobicContact CE2-CD1 3.86Å; F564-F614 HydrophobicContact CE2-CG 4.39Å; F564-F614 AromaticContact CG-CD1 3.99Å; F564-F614 HydrophobicContact CG-CD1 3.99Å; F564-F614 AromaticContact CG-CE1 3.85Å; F564-F614 HydrophobicContact CG-CE1 3.85Å; F564-F614 HydrophobicContact CG-CZ 4.43Å; L567-F614 HydrophobicContact CD1-CB 3.93Å; L567-F614 HydrophobicContact CD1-CD2 4.1Å; L567-F614 HydrophobicContact CD1-CG 4.16Å; S610-F614 WeakPolarHBondContact O-CB 3.4Å; S610-F614 PolarHBondContact O-N 3.32Å; Q611-F614 WeakPolarHBondContact O-CB 3.34Å; Q611-F614 PolarHBondContact O-N 2.84Å; K612-F614 VanDerWaalsContact C-N 3.27Å; K612-F614 PolarHBondContact O-N 3.34Å; F614-F616 PolarHBondContact O-N 2.81Å; F614-T617 PolarHBondContact O-N 3.33Å; F614-L618 HydrophobicContact CE1-CD2 3.89Å; F614-L618 WeakPolarHBondContact O-CB 3.32Å; F614-L618 PolarHBondContact O-N 3.42Å; F614-F654 HydrophobicContact CD1-CZ 4.06Å; F614-F654 AromaticContact CE1-CE2 3.88Å; F614-F654 HydrophobicContact CE1-CE2 3.88Å; F614-F654 AromaticContact CE1-CZ 3.64Å; F614-F654 HydrophobicContact CE1-CZ 3.64Å
615I98.2Very high97.4Very high0 Ų034.2 Ų34.20%020%0.203CC..Hα-helixtrans-59.3-48.6-176.4-69165.2000110.8F564 Q611 K612 L618 F619 F654 E661 I662 L669F564-I615 HydrophobicContact CE2-CD1 4.03Å; F564-I615 HydrophobicContact CE2-CG1 3.72Å; F564-I615 HydrophobicContact CZ-CD1 3.93Å; F564-I615 HydrophobicContact CZ-CG1 3.98Å; Q611-I615 VanDerWaalsContact O-CG1 3.26Å; Q611-I615 WeakPolarHBondContact O-CG1 3.18Å; Q611-I615 PolarHBondContact O-N 3.36Å; K612-I615 PolarHBondContact O-N 2.94Å; I615-L618 PolarHBondContact O-N 2.93Å; I615-F619 HydrophobicContact CG2-CD2 3.66Å; I615-F619 HydrophobicContact CG2-CE2 3.73Å; I615-F619 WeakPolarHBondContact O-CD2 3.48Å; I615-F619 PolarHBondContact O-N 2.82Å; I615-F654 HydrophobicContact CG1-CE1 4.33Å; I615-E661 HydrophobicContact CD1-CB 4.5Å; I615-I662 HydrophobicContact CD1-CG1 4.41Å; I615-I662 HydrophobicContact CG2-CG1 4.44Å; I615-L669 HydrophobicContact CG2-CD1 3.99Å; I615-L669 HydrophobicContact CG2-CD2 4.21Å
616F98.3Very high97.4Very high27 Ų2729.6 Ų29.612%0.11818%0.179CC..Hα-helixtrans-65.7-43.3-179-84.8-110.7000111.6K612 F614 L618 Q620 H665 E668 L669 V672 L673K612-F616 HydrophobicContact CD-CE2 4.4Å; K612-F616 HydrophobicContact CG-CD2 3.7Å; K612-F616 HydrophobicContact CG-CE2 3.72Å; K612-F616 VanDerWaalsContact O-CD2 3.29Å; K612-F616 WeakPolarHBondContact O-CD2 3.39Å; K612-F616 PolarHBondContact O-N 2.93Å; F614-F616 PolarHBondContact O-N 2.81Å; F616-L618 VanDerWaalsContact C-N 3.33Å; F616-L618 PolarHBondContact O-N 2.86Å; F616-Q620 WeakPolarHBondContact O-CB 3.43Å; F616-Q620 PolarHBondContact O-N 3.32Å; F616-H665 HydrophobicContact CE2-CB 4.1Å; F616-E668 HydrophobicContact CE1-CG 4.17Å; F616-E668 HydrophobicContact CZ-CB 4Å; F616-E668 HydrophobicContact CZ-CG 3.69Å; F616-L669 HydrophobicContact CD1-CD2 4.24Å; F616-L669 HydrophobicContact CD2-CD2 3.86Å; F616-L669 HydrophobicContact CE1-CD2 4.06Å; F616-L669 HydrophobicContact CE2-CD2 3.67Å; F616-L669 HydrophobicContact CE2-CG 3.95Å; F616-L669 HydrophobicContact CG-CD2 4.15Å; F616-L669 HydrophobicContact CZ-CD2 3.77Å; F616-L669 HydrophobicContact CZ-CG 4Å; F616-V672 HydrophobicContact CE1-CB 4.16Å; F616-V672 HydrophobicContact CE1-CG1 4.26Å; F616-V672 HydrophobicContact CE1-CG2 4.5Å; F616-L673 HydrophobicContact CB-CD1 4.43Å; F616-L673 HydrophobicContact CD1-CD1 3.93Å; F616-L673 HydrophobicContact CD1-CG 4.25Å; F616-L673 HydrophobicContact CG-CD1 4.32Å
617T98.4Very high97.4Very high21 Ų2128.4 Ų28.413%0.12917%0.167CC..Hα-helixtrans-61.7-44.4177.5-56.40000110.4P536 I539 A613 F614 Q620 H621P536-T617 HydrophobicContact CB-CG2 4.28Å; I539-T617 HydrophobicContact CB-CG2 4.06Å; I539-T617 HydrophobicContact CD1-CG2 4.19Å; I539-T617 HydrophobicContact CG2-CG2 3.89Å; A613-T617 VanDerWaalsContact O-CB 3.24Å; A613-T617 WeakPolarHBondContact O-CB 3.44Å; A613-T617 PolarHBondContact O-N 2.81Å; A613-T617 PolarHBondContact O-OG1 3.07Å; F614-T617 PolarHBondContact O-N 3.33Å; T617-Q620 PolarHBondContact O-N 3.38Å; T617-H621 PolarHBondContact O-N 3.15Å; T617-H621 VanDerWaalsContact O-N 3.09Å; T617-H621 PolarHBondContact O-ND1 2.96Å
618L98.5Very high97.4Very high1 Ų133.6 Ų33.61%0.00519%0.189CC..Hα-helixtrans-63.7-49.6-179.1-177.760.8000111.9I539 F543 I560 F614 I615 F616 Q620 H621 F622 F654I539-L618 HydrophobicContact CD1-CB 3.94Å; I539-L618 HydrophobicContact CG2-CB 4.47Å; I539-L618 HydrophobicContact CG2-CD1 4.14Å; F543-L618 HydrophobicContact CE2-CD1 3.7Å; F543-L618 HydrophobicContact CZ-CD1 4.1Å; I560-L618 HydrophobicContact CG2-CD1 4.32Å; I560-L618 HydrophobicContact CG2-CD2 4.1Å; F614-L618 HydrophobicContact CE1-CD2 3.89Å; F614-L618 WeakPolarHBondContact O-CB 3.32Å; F614-L618 PolarHBondContact O-N 3.42Å; I615-L618 PolarHBondContact O-N 2.93Å; F616-L618 VanDerWaalsContact C-N 3.33Å; F616-L618 PolarHBondContact O-N 2.86Å; L618-Q620 PolarHBondContact O-N 2.86Å; L618-H621 PolarHBondContact O-N 3.31Å; L618-F622 HydrophobicContact CD1-CD2 4.05Å; L618-F622 HydrophobicContact CD1-CE2 3.62Å; L618-F622 HydrophobicContact CD1-CZ 4.29Å; L618-F622 HydrophobicContact CD2-CE2 4.08Å; L618-F622 HydrophobicContact CG-CD2 3.88Å; L618-F622 HydrophobicContact CG-CE2 3.61Å; L618-F622 WeakPolarHBondContact O-CD2 3.42Å; L618-F622 PolarHBondContact O-N 3.2Å; L618-F654 HydrophobicContact CD2-CD1 3.8Å; L618-F654 HydrophobicContact CD2-CD2 3.54Å; L618-F654 HydrophobicContact CD2-CE1 3.81Å; L618-F654 HydrophobicContact CD2-CE2 3.54Å; L618-F654 HydrophobicContact CD2-CG 3.68Å; L618-F654 HydrophobicContact CD2-CZ 3.69Å
619F98.4Very high97.3Very high0 Ų033.4 Ų33.40%019%0.187CC..Hα-helixtrans-67.6-35.6179.2-76.4-55.9000112.9I615 H621 F622 I623 M651 F654 F655 I662 L669 L673 F674I615-F619 HydrophobicContact CG2-CD2 3.66Å; I615-F619 HydrophobicContact CG2-CE2 3.73Å; I615-F619 WeakPolarHBondContact O-CD2 3.48Å; I615-F619 PolarHBondContact O-N 2.82Å; F619-H621 VanDerWaalsContact C-N 3.32Å; F619-H621 PolarHBondContact O-N 2.78Å; F619-F622 HydrophobicContact CD1-CD2 4.24Å; F619-F622 PolarHBondContact O-N 3.43Å; F619-I623 WeakPolarHBondContact O-CB 3.4Å; F619-I623 WeakPolarHBondContact O-CD1 3.39Å; F619-I623 VanDerWaalsContact O-CG1 3.24Å; F619-I623 WeakPolarHBondContact O-CG1 3.4Å; F619-I623 PolarHBondContact O-N 3.03Å; F619-M651 HydrophobicContact CD1-CG 4.11Å; F619-M651 HydrophobicContact CE1-CG 3.89Å; F619-F654 HydrophobicContact CE2-CD1 4.16Å; F619-F654 AromaticContact CZ-CD1 3.83Å; F619-F654 HydrophobicContact CZ-CD1 3.83Å; F619-F655 HydrophobicContact CD1-CE2 4.2Å; F619-F655 AromaticContact CD1-CZ 3.95Å; F619-F655 HydrophobicContact CD1-CZ 3.95Å; F619-F655 HydrophobicContact CE1-CD1 4.09Å; F619-F655 AromaticContact CE1-CD2 3.86Å; F619-F655 HydrophobicContact CE1-CD2 3.86Å; F619-F655 AromaticContact CE1-CE1 3.67Å; F619-F655 HydrophobicContact CE1-CE1 3.67Å; F619-F655 AromaticContact CE1-CE2 3.43Å; F619-F655 HydrophobicContact CE1-CE2 3.43Å; F619-F655 VanDerWaalsContact CE1-CE2 3.43Å; F619-F655 HydrophobicContact CE1-CG 4.17Å; F619-F655 AromaticContact CE1-CZ 3.32Å; F619-F655 HydrophobicContact CE1-CZ 3.32Å; F619-F655 HydrophobicContact CE2-CD1 4.39Å; F619-F655 AromaticContact CE2-CE1 3.91Å; F619-F655 HydrophobicContact CE2-CE1 3.91Å; F619-F655 HydrophobicContact CE2-CZ 4.28Å; F619-F655 AromaticContact CZ-CD1 3.56Å; F619-F655 HydrophobicContact CZ-CD1 3.56Å; F619-F655 HydrophobicContact CZ-CD2 4.14Å; F619-F655 AromaticContact CZ-CE1 3.3Å; F619-F655 HydrophobicContact CZ-CE1 3.3Å; F619-F655 AromaticContact CZ-CE2 3.94Å; F619-F655 HydrophobicContact CZ-CE2 3.94Å; F619-F655 AromaticContact CZ-CG 3.97Å; F619-F655 HydrophobicContact CZ-CG 3.97Å; F619-F655 AromaticContact CZ-CZ 3.52Å; F619-F655 HydrophobicContact CZ-CZ 3.52Å; F619-I662 HydrophobicContact CE2-CD1 4.07Å; F619-I662 HydrophobicContact CE2-CG1 4.26Å; F619-I662 HydrophobicContact CE2-CG2 4.34Å; F619-I662 HydrophobicContact CZ-CD1 3.97Å; F619-L669 HydrophobicContact CD2-CD1 4.44Å; F619-L669 HydrophobicContact CD2-CD2 4.21Å; F619-L669 HydrophobicContact CE2-CD1 4.44Å; F619-L673 HydrophobicContact CB-CD1 3.92Å; F619-F674 HydrophobicContact CB-CE2 4.06Å; F619-F674 HydrophobicContact CB-CZ 4.01Å; F619-F674 HydrophobicContact CD1-CE2 4.22Å; F619-F674 AromaticContact CD1-CZ 3.73Å; F619-F674 HydrophobicContact CD1-CZ 3.73Å; F619-F674 HydrophobicContact CD2-CE2 4.36Å; F619-F674 HydrophobicContact CE1-CZ 4.39Å; F619-F674 AromaticContact CG-CE2 3.98Å; F619-F674 HydrophobicContact CG-CE2 3.98Å; F619-F674 AromaticContact CG-CZ 3.9Å; F619-F674 HydrophobicContact CG-CZ 3.9Å
620Q98.3Very high97.2Very high95 Ų9531.6 Ų31.644%0.44417%0.168SC..Hα-helixtrans-58.7-45.2173.1-176.1-18012.800111.4F616 T617 L618 I623 I624 L673F616-Q620 WeakPolarHBondContact O-CB 3.43Å; F616-Q620 PolarHBondContact O-N 3.32Å; T617-Q620 PolarHBondContact O-N 3.38Å; L618-Q620 PolarHBondContact O-N 2.86Å; Q620-I623 PolarHBondContact O-N 3.16Å; Q620-I624 HydrophobicContact CG-CD1 3.99Å; Q620-I624 VanDerWaalsContact O-CG1 3.3Å; Q620-I624 WeakPolarHBondContact O-CG1 3.5Å; Q620-I624 PolarHBondContact O-N 3.47Å; Q620-L673 HydrophobicContact CB-CD2 4.26Å
621H98.3Very high97.1Very high38 Ų3834 Ų3418%0.17618%0.176CC..Hα-helixtrans-68.1-40.1178.3-74.478.3000112F543 T617 L618 F619 I623 I624 T625F543-H621 HydrophobicContact CB-CB 4.23Å; F543-H621 HydrophobicContact CD1-CB 3.69Å; F543-H621 HydrophobicContact CD2-CB 3.78Å; F543-H621 HydrophobicContact CE1-CB 3.85Å; F543-H621 HydrophobicContact CE2-CB 3.98Å; F543-H621 HydrophobicContact CG-CB 3.64Å; F543-H621 HydrophobicContact CZ-CB 4Å; T617-H621 PolarHBondContact O-N 3.15Å; T617-H621 VanDerWaalsContact O-N 3.09Å; T617-H621 PolarHBondContact O-ND1 2.96Å; L618-H621 PolarHBondContact O-N 3.31Å; F619-H621 VanDerWaalsContact C-N 3.32Å; F619-H621 PolarHBondContact O-N 2.78Å; H621-I623 VanDerWaalsContact C-N 3.34Å; H621-I623 PolarHBondContact O-N 3.19Å; H621-I624 PolarHBondContact O-N 3Å; H621-T625 VanDerWaalsContact O-CB 3.25Å; H621-T625 WeakPolarHBondContact O-CB 3.32Å; H621-T625 PolarHBondContact O-N 3.06Å; H621-T625 PolarHBondContact O-OG1 3.36Å; H621-T625 VanDerWaalsContact O-OG1 3.05Å
622F98Very high96.9Very high2 Ų238.1 Ų38.11%0.00920%0.202CC..Hα-helixtrans-57.3-46.7171.8-83.2-56.5000112.2F543 W557 L618 F619 T625 L626 V647 R650 M651F543-F622 HydrophobicContact CE1-CD1 4.14Å; F543-F622 HydrophobicContact CE1-CE1 4.46Å; F543-F622 AromaticContact CZ-CD1 3.91Å; F543-F622 HydrophobicContact CZ-CD1 3.91Å; F543-F622 HydrophobicContact CZ-CD2 4.48Å; F543-F622 AromaticContact CZ-CE1 3.96Å; F543-F622 HydrophobicContact CZ-CE1 3.96Å; F543-F622 HydrophobicContact CZ-CG 4.17Å; F543-F622 HydrophobicContact CZ-CZ 4.28Å; W557-F622 AromaticContact CH2-CE1 3.63Å; W557-F622 HydrophobicContact CH2-CE1 3.63Å; W557-F622 AromaticContact CH2-CZ 3.75Å; W557-F622 HydrophobicContact CH2-CZ 3.75Å; W557-F622 AromaticContact CZ3-CE1 3.9Å; W557-F622 HydrophobicContact CZ3-CE1 3.9Å; W557-F622 AromaticContact CZ3-CZ 3.5Å; W557-F622 HydrophobicContact CZ3-CZ 3.5Å; W557-F622 VanDerWaalsContact CZ3-CZ 3.5Å; L618-F622 HydrophobicContact CD1-CD2 4.05Å; L618-F622 HydrophobicContact CD1-CE2 3.62Å; L618-F622 HydrophobicContact CD1-CZ 4.29Å; L618-F622 HydrophobicContact CD2-CE2 4.08Å; L618-F622 HydrophobicContact CG-CD2 3.88Å; L618-F622 HydrophobicContact CG-CE2 3.61Å; L618-F622 WeakPolarHBondContact O-CD2 3.42Å; L618-F622 PolarHBondContact O-N 3.2Å; F619-F622 HydrophobicContact CD1-CD2 4.24Å; F619-F622 PolarHBondContact O-N 3.43Å; F622-T625 PolarHBondContact O-N 3.13Å; F622-L626 VanDerWaalsContact O-CB 3.26Å; F622-L626 WeakPolarHBondContact O-CB 2.98Å; F622-L626 VanDerWaalsContact O-CG 3.26Å; F622-L626 WeakPolarHBondContact O-CG 3.35Å; F622-L626 PolarHBondContact O-N 3.17Å; F622-V647 HydrophobicContact CD1-CG1 4.01Å; F622-V647 HydrophobicContact CE1-CG1 4.12Å; F622-R650 HydrophobicContact CE1-CB 4.07Å; F622-R650 HydrophobicContact CZ-CB 3.99Å; F622-M651 HydrophobicContact CB-CG 4.21Å; F622-M651 HydrophobicContact CB-SD 3.83Å; F622-M651 HydrophobicContact CD1-CB 3.96Å; F622-M651 HydrophobicContact CD1-CG 4.49Å; F622-M651 HydrophobicContact CD2-CB 4.08Å; F622-M651 HydrophobicContact CD2-CG 3.97Å; F622-M651 HydrophobicContact CE1-CB 4.08Å; F622-M651 HydrophobicContact CE2-CB 4.18Å; F622-M651 HydrophobicContact CE2-CG 4.42Å; F622-M651 HydrophobicContact CG-CB 3.97Å; F622-M651 HydrophobicContact CG-CG 4.01Å; F622-M651 HydrophobicContact CG-SD 4.27Å; F622-M651 HydrophobicContact CZ-CB 4.18Å
623I98.1Very high96.7Very high20 Ų2035.6 Ų35.610%0.10319%0.191CC..Hα-helixtrans-59.7-49179.6-72.8164000110.6F619 Q620 H621 S627 L673 F674 L678 I682F619-I623 WeakPolarHBondContact O-CB 3.4Å; F619-I623 WeakPolarHBondContact O-CD1 3.39Å; F619-I623 VanDerWaalsContact O-CG1 3.24Å; F619-I623 WeakPolarHBondContact O-CG1 3.4Å; F619-I623 PolarHBondContact O-N 3.03Å; Q620-I623 PolarHBondContact O-N 3.16Å; H621-I623 VanDerWaalsContact C-N 3.34Å; H621-I623 PolarHBondContact O-N 3.19Å; I623-S627 WeakPolarHBondContact O-CB 3.33Å; I623-S627 PolarHBondContact O-N 3.05Å; I623-S627 PolarHBondContact O-OG 2.94Å; I623-L673 HydrophobicContact CD1-CB 3.84Å; I623-F674 HydrophobicContact CD1-CD1 4.32Å; I623-F674 HydrophobicContact CD1-CE1 3.96Å; I623-F674 HydrophobicContact CD1-CZ 4.06Å; I623-F674 HydrophobicContact CG1-CE1 4.16Å; I623-F674 HydrophobicContact CG1-CZ 4.47Å; I623-L678 HydrophobicContact CD1-CD2 4.35Å; I623-L678 HydrophobicContact CG1-CD2 4.24Å; I623-L678 HydrophobicContact CG2-CD1 3.71Å; I623-I682 HydrophobicContact CG1-CG2 4.03Å
624I97.2Very high96.4Very high74 Ų7438 Ų3838%0.37920%0.199SC..Hα-helixtrans-60.7-54.5179.9-67.8165.2000110Q620 H621 L626 S627 E628Q620-I624 HydrophobicContact CG-CD1 3.99Å; Q620-I624 VanDerWaalsContact O-CG1 3.3Å; Q620-I624 WeakPolarHBondContact O-CG1 3.5Å; Q620-I624 PolarHBondContact O-N 3.47Å; H621-I624 PolarHBondContact O-N 3Å; I624-L626 PolarHBondContact O-N 3.05Å; I624-S627 PolarHBondContact O-N 3.2Å; I624-E628 HydrophobicContact CG2-CG 4.49Å; I624-E628 WeakPolarHBondContact O-CG 3.36Å; I624-E628 PolarHBondContact O-N 3.17Å
625T96.6Very high96.1Very high24 Ų2445.3 Ų45.315%0.14723%0.233CC..Hα-helixtrans-62.2-40.2-175.6-650000112.7F543 F551 H621 F622 H629 W643 V647F543-T625 WeakPolarHBondContact CD1-OG1 3.19Å; F551-T625 HydrophobicContact CE1-CG2 4.32Å; F551-T625 HydrophobicContact CZ-CG2 4.49Å; H621-T625 VanDerWaalsContact O-CB 3.25Å; H621-T625 WeakPolarHBondContact O-CB 3.32Å; H621-T625 PolarHBondContact O-N 3.06Å; H621-T625 PolarHBondContact O-OG1 3.36Å; H621-T625 VanDerWaalsContact O-OG1 3.05Å; F622-T625 PolarHBondContact O-N 3.13Å; T625-H629 PolarHBondContact O-N 3.49Å; T625-W643 HydrophobicContact CG2-CH2 3.44Å; T625-W643 VanDerWaalsContact CG2-CH2 3.44Å; T625-W643 HydrophobicContact CG2-CZ2 3.75Å; T625-V647 HydrophobicContact CG2-CG1 4.42Å
626L96.8Very high95.7Very high0 Ų048.4 Ų48.40%025%0.254CS..Hα-helixtrans-73.3-38.4176.4-69171.2000112F622 I624 H629 L630 Y644 V647 F648 M651 I682F622-L626 VanDerWaalsContact O-CB 3.26Å; F622-L626 WeakPolarHBondContact O-CB 2.98Å; F622-L626 VanDerWaalsContact O-CG 3.26Å; F622-L626 WeakPolarHBondContact O-CG 3.35Å; F622-L626 PolarHBondContact O-N 3.17Å; I624-L626 PolarHBondContact O-N 3.05Å; L626-H629 PolarHBondContact O-N 2.86Å; L626-L630 WeakPolarHBondContact O-CB 3.45Å; L626-L630 VanDerWaalsContact O-CG 3.29Å; L626-L630 WeakPolarHBondContact O-CG 3.25Å; L626-L630 PolarHBondContact O-N 3.31Å; L626-Y644 HydrophobicContact CD2-CD2 3.73Å; L626-Y644 HydrophobicContact CD2-CE2 3.82Å; L626-V647 HydrophobicContact CD2-CB 4.02Å; L626-V647 HydrophobicContact CD2-CG1 3.73Å; L626-V647 HydrophobicContact CG-CG1 4.14Å; L626-F648 HydrophobicContact CD2-CB 4.43Å; L626-M651 HydrophobicContact CD1-CE 3.94Å; L626-M651 HydrophobicContact CD1-SD 3.92Å; L626-I682 HydrophobicContact CB-CD1 3.92Å; L626-I682 HydrophobicContact CB-CG1 4.19Å
627S96.5Very high95.1Very high34 Ų3450.3 Ų50.324%0.23828%0.282CS..Hα-helixtrans-63.5-46.4178.3-59.40000111.4I623 I624 H629 L630 L631 I682I623-S627 WeakPolarHBondContact O-CB 3.33Å; I623-S627 PolarHBondContact O-N 3.05Å; I623-S627 PolarHBondContact O-OG 2.94Å; I624-S627 PolarHBondContact O-N 3.2Å; S627-H629 VanDerWaalsContact C-N 3.3Å; S627-H629 PolarHBondContact O-N 2.57Å; S627-L630 PolarHBondContact O-N 3.26Å; S627-L631 WeakPolarHBondContact O-CB 3.18Å; S627-L631 PolarHBondContact O-N 3.4Å; S627-I682 WeakPolarHBondContact OG-CD1 3.22Å
628E94.9Very high94.3Very high127 Ų12754.7 Ų54.759%0.59330%0.304SS*.Hα-helixtrans-58.7-41.9176.8-72.2177.7172.100111.9I624 T632I624-E628 HydrophobicContact CG2-CG 4.49Å; I624-E628 WeakPolarHBondContact O-CG 3.36Å; I624-E628 PolarHBondContact O-N 3.17Å; E628-T632 PolarHBondContact O-N 2.86Å; E628-T632 PolarHBondContact O-OG1 3.42Å
629H94.4Very high93.7Very high38 Ų3866 Ų6618%0.17635%0.347CS..Hα-helixtrans-65.4-47.7176.8-174.177.8000112.1T625 L626 S627 L631 T632 V633 S641 W643 Y644T625-H629 PolarHBondContact O-N 3.49Å; L626-H629 PolarHBondContact O-N 2.86Å; S627-H629 VanDerWaalsContact C-N 3.3Å; S627-H629 PolarHBondContact O-N 2.57Å; H629-L631 VanDerWaalsContact C-N 3.32Å; H629-L631 PolarHBondContact O-N 3.38Å; H629-T632 WeakPolarHBondContact O-CB 3.34Å; H629-T632 PolarHBondContact O-N 2.87Å; H629-V633 WeakPolarHBondContact O-CG2 3.37Å; H629-V633 PolarHBondContact O-N 3.19Å; H629-S641 PolarHBondContact CE1-OG 3.13Å; H629-S641 PolarHBondContact NE2-OG 3.41Å; H629-W643 HydrophobicContact CB-CE3 4.31Å; H629-W643 HydrophobicContact CB-CH2 4.08Å; H629-W643 HydrophobicContact CB-CZ3 3.5Å; H629-W643 VanDerWaalsContact CB-CZ3 3.5Å; H629-W643 AromaticContact CD2-CZ3 3.96Å; H629-W643 AromaticContact CE1-CE3 3.75Å; H629-W643 AromaticContact CG-CE3 3.7Å; H629-W643 AromaticContact CG-CZ3 3.39Å; H629-W643 AromaticContact ND1-CE3 3.53Å; H629-W643 AromaticContact ND1-CZ3 3.6Å; H629-Y644 AromaticContact CD2-CD2 3.96Å
630L94.9Very high92.9Very high2 Ų269.1 Ų69.11%0.0137%0.366CS..Hα-helixtrans-63.8-37.6-179.2-72.2178.3000112.1L626 S627 T632 V633 D634 Y644 R681 I682L626-L630 WeakPolarHBondContact O-CB 3.45Å; L626-L630 VanDerWaalsContact O-CG 3.29Å; L626-L630 WeakPolarHBondContact O-CG 3.25Å; L626-L630 PolarHBondContact O-N 3.31Å; S627-L630 PolarHBondContact O-N 3.26Å; L630-T632 VanDerWaalsContact C-N 3.33Å; L630-T632 PolarHBondContact O-N 3.03Å; L630-V633 PolarHBondContact O-N 3.48Å; L630-D634 WeakPolarHBondContact O-CB 3.48Å; L630-D634 PolarHBondContact O-N 2.79Å; L630-Y644 HydrophobicContact CD1-CE2 4.09Å; L630-Y644 HydrophobicContact CD2-CD2 3.98Å; L630-Y644 HydrophobicContact CD2-CE2 3.6Å; L630-Y644 HydrophobicContact CG-CD2 4.4Å; L630-Y644 HydrophobicContact CG-CE2 3.92Å; L630-R681 HydrophobicContact CD1-CB 4Å; L630-I682 HydrophobicContact CD1-CD1 4Å; L630-I682 HydrophobicContact CD1-CG1 3.81Å
631L94.4Very high92.5Very high104 Ų10466.6 Ų66.655%0.54536%0.359SS..Hα-helixtrans-57.9-47173.2-122.7149.3000111.2S627 H629 V633 D634 E635S627-L631 WeakPolarHBondContact O-CB 3.18Å; S627-L631 PolarHBondContact O-N 3.4Å; H629-L631 VanDerWaalsContact C-N 3.32Å; H629-L631 PolarHBondContact O-N 3.38Å; L631-V633 VanDerWaalsContact C-N 3.34Å; L631-V633 PolarHBondContact O-N 3.11Å; L631-D634 PolarHBondContact O-N 3.34Å; L631-E635 WeakPolarHBondContact CD2-OE1 3.48Å; L631-E635 WeakPolarHBondContact O-CB 3.31Å; L631-E635 VanDerWaalsContact O-CG 3.27Å; L631-E635 WeakPolarHBondContact O-CG 3.33Å; L631-E635 PolarHBondContact O-N 3.34Å
632T92.7Very high92.2Very high89 Ų8967 Ų6755%0.54636%0.362SS..Hα-helixtrans-63.9-39.2178.4-510000112E628 H629 L630 S636E628-T632 PolarHBondContact O-N 2.86Å; E628-T632 PolarHBondContact O-OG1 3.42Å; H629-T632 WeakPolarHBondContact O-CB 3.34Å; H629-T632 PolarHBondContact O-N 2.87Å; L630-T632 VanDerWaalsContact C-N 3.33Å; L630-T632 PolarHBondContact O-N 3.03Å; T632-S636 WeakPolarHBondContact O-CB 3.06Å; T632-S636 PolarHBondContact O-N 3.08Å; T632-S636 VanDerWaalsContact O-N 3.15Å; T632-S636 PolarHBondContact O-OG 3.3Å
633V91.8Very high91.9Very high11 Ų1169.3 Ų69.37%0.06737%0.371CS..Hα-helixtrans-68.7-44.3178.41720000111.2H629 L630 L631 E635 S636 G637 D638H629-V633 WeakPolarHBondContact O-CG2 3.37Å; H629-V633 PolarHBondContact O-N 3.19Å; L630-V633 PolarHBondContact O-N 3.48Å; L631-V633 VanDerWaalsContact C-N 3.34Å; L631-V633 PolarHBondContact O-N 3.11Å; V633-E635 VanDerWaalsContact C-N 3.33Å; V633-E635 PolarHBondContact O-N 3.3Å; V633-S636 WeakPolarHBondContact CA-OG 3.36Å; V633-S636 PolarHBondContact O-N 2.83Å; V633-S636 PolarHBondContact O-OG 3.11Å; V633-G637 PolarHBondContact O-N 3.3Å; V633-D638 WeakPolarHBondContact CG1-O 3.44Å; V633-D638 PolarHBondContact O-N 3.23Å
634D91.3Very high91.7Very high92 Ų9269.5 Ų69.549%0.49237%0.371SS..Hα-helixtrans-68.4-34.5-179.5-67.7-15.8000111.8L630 L631 R681L630-D634 WeakPolarHBondContact O-CB 3.48Å; L630-D634 PolarHBondContact O-N 2.79Å; L631-D634 PolarHBondContact O-N 3.34Å; D634-R681 IonicContact OD1-CZ 2.85Å; D634-R681 IonicContact OD1-NH1 2.79Å; D634-R681 PolarHBondContact OD1-NH1 3.38Å; D634-R681 IonicContact OD1-NH2 3.55Å; D634-R681 PolarHBondContact OD1-NH2 3.29Å; D634-R681 IonicContact OD2-CZ 3.44Å; D634-R681 IonicContact OD2-NH1 3.79Å; D634-R681 IonicContact OD2-NH2 2.64Å; D634-R681 PolarHBondContact OD2-NH2 3Å
635E92Very high91.5Very high153 Ų15369.1 Ų69.172%0.71536%0.364SS*.Hα-helixtrans-68.3-36.8174.5-75.6178.617200113L631 V633L631-E635 WeakPolarHBondContact CD2-OE1 3.48Å; L631-E635 WeakPolarHBondContact O-CB 3.31Å; L631-E635 VanDerWaalsContact O-CG 3.27Å; L631-E635 WeakPolarHBondContact O-CG 3.33Å; L631-E635 PolarHBondContact O-N 3.34Å; V633-E635 VanDerWaalsContact C-N 3.33Å; V633-E635 PolarHBondContact O-N 3.3Å
636S90.9Very high91.5Very high64 Ų6468.5 Ų68.545%0.44836%0.36SS..Hα-helixtrans-81.2-25.2178.351.10000113.2T632 V633T632-S636 WeakPolarHBondContact O-CB 3.06Å; T632-S636 PolarHBondContact O-N 3.08Å; T632-S636 VanDerWaalsContact O-N 3.15Å; T632-S636 PolarHBondContact O-OG 3.3Å; V633-S636 WeakPolarHBondContact CA-OG 3.36Å; V633-S636 PolarHBondContact O-N 2.83Å; V633-S636 PolarHBondContact O-OG 3.11Å
637G84.2Confident91.5Very high67 Ų6768.5 Ų68.569%0.69136%0.36SS*.THydrogen-bonded Turntrans75.113.3-171.400000113.4V633V633-G637 PolarHBondContact O-N 3.3Å
638D82.8Confident91.5Very high113 Ų11368.5 Ų68.560%0.60436%0.356SS*.PPolyproline II helixtrans-75.3165.7-178.7-77.2-25.1000112V633V633-D638 WeakPolarHBondContact CG1-O 3.44Å; V633-D638 PolarHBondContact O-N 3.23Å
639R85.1Confident91.5Very high238 Ų23863 Ų6390%0.89833%0.333SS*.PPolyproline II helixtrans-77147.8170.6-69.5-175.8-179.9-178.81.2110.1S641R639-S641 PolarHBondContact O-N 2.91Å
640V82.3Confident91.7Very high67 Ų6761.4 Ų61.441%0.40633%0.325SS..PPolyproline II helixtrans-55.4124.3173-176.50000110Y644V640-Y644 HydrophobicContact CB-CD1 4.46Å; V640-Y644 VanDerWaalsContact CG1-CB 3.44Å; V640-Y644 HydrophobicContact CG1-CD1 3Å; V640-Y644 HydrophobicContact CG1-CD2 4.05Å; V640-Y644 HydrophobicContact CG1-CE1 3.65Å; V640-Y644 HydrophobicContact CG1-CG 3.21Å
641S89Confident91.8Very high42 Ų4261.3 Ų61.329%0.29433%0.325SS..PPolyproline II helixtrans-75164-171.567.20000113.8H629 R639 W643 Y644 R645H629-S641 PolarHBondContact CE1-OG 3.13Å; H629-S641 PolarHBondContact NE2-OG 3.41Å; R639-S641 PolarHBondContact O-N 2.91Å; S641-W643 PolarHBondContact O-N 3.05Å; S641-Y644 WeakPolarHBondContact O-CB 3.14Å; S641-Y644 PolarHBondContact O-N 3.04Å; S641-Y644 VanDerWaalsContact O-N 3.1Å; S641-Y644 PolarHBondContact OG-N 3.06Å; S641-R645 PolarHBondContact O-N 3.03Å
642D91.3Very high91.9Very high45 Ų4556.8 Ų56.824%0.24130%0.302CS..Hα-helixtrans-61.2-31.2170-78.2-45.6000112.4Y365 S366 Y644 R645 I646Y365-D642 VanDerWaalsContact O-CB 3.32Å; Y365-D642 WeakPolarHBondContact O-CB 3.49Å; S366-D642 WeakPolarHBondContact CA-OD2 3.42Å; D642-Y644 VanDerWaalsContact C-N 3.32Å; D642-Y644 PolarHBondContact O-N 3.38Å; D642-R645 WeakPolarHBondContact O-CB 3.4Å; D642-R645 PolarHBondContact O-N 3.13Å; D642-R645 IonicContact OD1-CZ 2.61Å; D642-R645 IonicContact OD1-NH1 3.15Å; D642-R645 PolarHBondContact OD1-NH1 3.35Å; D642-R645 IonicContact OD1-NH2 2.65Å; D642-R645 PolarHBondContact OD1-NH2 2.9Å; D642-I646 WeakPolarHBondContact O-CG1 3.33Å; D642-I646 PolarHBondContact O-N 3.35Å; D642-I646 VanDerWaalsContact O-N 3.08Å
643W92.9Very high92Very high52 Ų5253.2 Ų53.220%0.19728%0.279CS..Hα-helixtrans-56.7-47.1171.7177.8102.7000110.7Y365 F551 L552 T625 H629 S641 R645 I646 V647Y365-W643 HydrophobicContact CD2-CB 4.42Å; F551-W643 HydrophobicContact CD1-CZ2 4.41Å; F551-W643 HydrophobicContact CE1-CZ2 4.08Å; L552-W643 HydrophobicContact CD1-CB 4.29Å; L552-W643 HydrophobicContact CD1-CG 4.07Å; L552-W643 HydrophobicContact CD2-CG 4.38Å; T625-W643 HydrophobicContact CG2-CH2 3.44Å; T625-W643 VanDerWaalsContact CG2-CH2 3.44Å; T625-W643 HydrophobicContact CG2-CZ2 3.75Å; H629-W643 HydrophobicContact CB-CE3 4.31Å; H629-W643 HydrophobicContact CB-CH2 4.08Å; H629-W643 HydrophobicContact CB-CZ3 3.5Å; H629-W643 VanDerWaalsContact CB-CZ3 3.5Å; H629-W643 AromaticContact CD2-CZ3 3.96Å; H629-W643 AromaticContact CE1-CE3 3.75Å; H629-W643 AromaticContact CG-CE3 3.7Å; H629-W643 AromaticContact CG-CZ3 3.39Å; H629-W643 AromaticContact ND1-CE3 3.53Å; H629-W643 AromaticContact ND1-CZ3 3.6Å; S641-W643 PolarHBondContact O-N 3.05Å; W643-R645 VanDerWaalsContact C-N 3.34Å; W643-R645 PolarHBondContact O-N 2.98Å; W643-I646 PolarHBondContact O-N 3.16Å; W643-V647 HydrophobicContact CD2-CG2 3.93Å; W643-V647 HydrophobicContact CE3-CG2 4.15Å; W643-V647 HydrophobicContact CH2-CB 4.46Å; W643-V647 HydrophobicContact CH2-CG1 4.49Å; W643-V647 HydrophobicContact CH2-CG2 3.98Å; W643-V647 HydrophobicContact CZ2-CG2 3.74Å; W643-V647 HydrophobicContact CZ3-CB 4.43Å; W643-V647 HydrophobicContact CZ3-CG2 4.15Å; W643-V647 WeakPolarHBondContact O-CG2 3.43Å; W643-V647 PolarHBondContact O-N 3.46Å
644Y94.4Very high92.2Very high24 Ų2452.8 Ų52.89%0.09428%0.276CS..Hα-helixtrans-61.6-44177.9172.2-85.6000110.9L626 H629 L630 V640 S641 D642 I646 V647 F648L626-Y644 HydrophobicContact CD2-CD2 3.73Å; L626-Y644 HydrophobicContact CD2-CE2 3.82Å; H629-Y644 AromaticContact CD2-CD2 3.96Å; L630-Y644 HydrophobicContact CD1-CE2 4.09Å; L630-Y644 HydrophobicContact CD2-CD2 3.98Å; L630-Y644 HydrophobicContact CD2-CE2 3.6Å; L630-Y644 HydrophobicContact CG-CD2 4.4Å; L630-Y644 HydrophobicContact CG-CE2 3.92Å; V640-Y644 HydrophobicContact CB-CD1 4.46Å; V640-Y644 VanDerWaalsContact CG1-CB 3.44Å; V640-Y644 HydrophobicContact CG1-CD1 3Å; V640-Y644 HydrophobicContact CG1-CD2 4.05Å; V640-Y644 HydrophobicContact CG1-CE1 3.65Å; V640-Y644 HydrophobicContact CG1-CG 3.21Å; S641-Y644 WeakPolarHBondContact O-CB 3.14Å; S641-Y644 PolarHBondContact O-N 3.04Å; S641-Y644 VanDerWaalsContact O-N 3.1Å; S641-Y644 PolarHBondContact OG-N 3.06Å; D642-Y644 VanDerWaalsContact C-N 3.32Å; D642-Y644 PolarHBondContact O-N 3.38Å; Y644-I646 PolarHBondContact O-N 3.18Å; Y644-V647 PolarHBondContact O-N 3.22Å; Y644-F648 HydrophobicContact CD1-CB 4.09Å; Y644-F648 HydrophobicContact CE1-CB 3.83Å; Y644-F648 HydrophobicContact CE1-CD2 4.14Å; Y644-F648 AromaticContact CE1-CG 3.94Å; Y644-F648 HydrophobicContact CE1-CG 3.94Å; Y644-F648 HydrophobicContact CE2-CB 4.46Å; Y644-F648 AromaticContact CZ-CD2 3.81Å; Y644-F648 WeakPolarHBondContact O-CB 3.46Å; Y644-F648 PolarHBondContact O-N 2.96Å; Y644-F648 WeakPolarHBondContact OH-CD2 3.33Å
645R93.2Very high92.4Very high66 Ų6648.4 Ų48.425%0.24925%0.253CS..Hα-helixtrans-55.6-43.6178.6-175.6-172.364.2-124.5-18.2111.1G326 S641 D642 W643 G649G326-R645 PolarHBondContact O-NH1 2.85Å; S641-R645 PolarHBondContact O-N 3.03Å; D642-R645 WeakPolarHBondContact O-CB 3.4Å; D642-R645 PolarHBondContact O-N 3.13Å; D642-R645 IonicContact OD1-CZ 2.61Å; D642-R645 IonicContact OD1-NH1 3.15Å; D642-R645 PolarHBondContact OD1-NH1 3.35Å; D642-R645 IonicContact OD1-NH2 2.65Å; D642-R645 PolarHBondContact OD1-NH2 2.9Å; W643-R645 VanDerWaalsContact C-N 3.34Å; W643-R645 PolarHBondContact O-N 2.98Å; R645-G649 WeakPolarHBondContact O-CA 3.11Å; R645-G649 PolarHBondContact O-N 3.48Å
646I95.2Very high92.4Very high10 Ų1041.1 Ų41.15%0.05122%0.219CC..Hα-helixtrans-64.7-54.1179.3-63.7165000109.9I330 L552 D642 W643 Y644 F648 G649 R650I330-I646 HydrophobicContact CD1-CG1 4.32Å; I330-I646 HydrophobicContact CD1-CG2 4.25Å; L552-I646 HydrophobicContact CB-CG2 4.48Å; L552-I646 HydrophobicContact CD1-CD1 4.06Å; L552-I646 HydrophobicContact CD2-CB 4.15Å; L552-I646 HydrophobicContact CD2-CG2 3.83Å; D642-I646 WeakPolarHBondContact O-CG1 3.33Å; D642-I646 PolarHBondContact O-N 3.35Å; D642-I646 VanDerWaalsContact O-N 3.08Å; W643-I646 PolarHBondContact O-N 3.16Å; Y644-I646 PolarHBondContact O-N 3.18Å; I646-F648 PolarHBondContact O-N 2.99Å; I646-G649 CarbonylContact O-C 3.56Å; I646-G649 WeakPolarHBondContact O-CA 3.49Å; I646-G649 PolarHBondContact O-N 2.92Å; I646-G649 VanDerWaalsContact O-N 3.16Å; I646-R650 HydrophobicContact CG2-CG 4.48Å; I646-R650 VanDerWaalsContact O-CG 3.27Å; I646-R650 WeakPolarHBondContact O-CG 3.48Å; I646-R650 PolarHBondContact O-N 3.3Å
647V96.6Very high92.3Very high0 Ų038.8 Ų38.80%020%0.202CC..Hα-helixtrans-64.6-44.9-175.5-177.70000112.1F551 L552 F622 T625 L626 W643 Y644 G649 R650 M651F551-V647 HydrophobicContact CD1-CG2 4.23Å; F551-V647 HydrophobicContact CE1-CB 4.49Å; F551-V647 HydrophobicContact CE1-CG1 4.13Å; F551-V647 HydrophobicContact CE1-CG2 3.51Å; F551-V647 HydrophobicContact CZ-CG1 4.27Å; F551-V647 HydrophobicContact CZ-CG2 4.35Å; L552-V647 HydrophobicContact CD2-CG2 3.67Å; F622-V647 HydrophobicContact CD1-CG1 4.01Å; F622-V647 HydrophobicContact CE1-CG1 4.12Å; T625-V647 HydrophobicContact CG2-CG1 4.42Å; L626-V647 HydrophobicContact CD2-CB 4.02Å; L626-V647 HydrophobicContact CD2-CG1 3.73Å; L626-V647 HydrophobicContact CG-CG1 4.14Å; W643-V647 HydrophobicContact CD2-CG2 3.93Å; W643-V647 HydrophobicContact CE3-CG2 4.15Å; W643-V647 HydrophobicContact CH2-CB 4.46Å; W643-V647 HydrophobicContact CH2-CG1 4.49Å; W643-V647 HydrophobicContact CH2-CG2 3.98Å; W643-V647 HydrophobicContact CZ2-CG2 3.74Å; W643-V647 HydrophobicContact CZ3-CB 4.43Å; W643-V647 HydrophobicContact CZ3-CG2 4.15Å; W643-V647 WeakPolarHBondContact O-CG2 3.43Å; W643-V647 PolarHBondContact O-N 3.46Å; Y644-V647 PolarHBondContact O-N 3.22Å; V647-G649 VanDerWaalsContact C-N 3.31Å; V647-G649 PolarHBondContact O-N 3.1Å; V647-R650 WeakPolarHBondContact O-CB 3.33Å; V647-R650 PolarHBondContact O-N 3.5Å; V647-M651 PolarHBondContact O-N 2.78Å; V647-M651 VanDerWaalsContact O-N 3.08Å
648F96.4Very high92.7Very high35 Ų3535.8 Ų35.815%0.15417%0.17CC..Hα-helixtrans-60.1-42.8173.2176.9-92.6000111.5L626 Y644 I646 R650 M651 C652 R681 P685 W688L626-F648 HydrophobicContact CD2-CB 4.43Å; Y644-F648 HydrophobicContact CD1-CB 4.09Å; Y644-F648 HydrophobicContact CE1-CB 3.83Å; Y644-F648 HydrophobicContact CE1-CD2 4.14Å; Y644-F648 AromaticContact CE1-CG 3.94Å; Y644-F648 HydrophobicContact CE1-CG 3.94Å; Y644-F648 HydrophobicContact CE2-CB 4.46Å; Y644-F648 AromaticContact CZ-CD2 3.81Å; Y644-F648 WeakPolarHBondContact O-CB 3.46Å; Y644-F648 PolarHBondContact O-N 2.96Å; Y644-F648 WeakPolarHBondContact OH-CD2 3.33Å; I646-F648 PolarHBondContact O-N 2.99Å; F648-R650 VanDerWaalsContact C-N 3.31Å; F648-R650 PolarHBondContact O-N 3.48Å; F648-M651 HydrophobicContact CD2-CE 4.25Å; F648-M651 HydrophobicContact CE2-CE 4.37Å; F648-M651 WeakPolarHBondContact O-CB 3.28Å; F648-M651 PolarHBondContact O-N 3.26Å; F648-C652 WeakPolarHBondContact CE1-SG 3.09Å; F648-C652 PolarHBondContact O-N 3.47Å; F648-C652 PolarHBondContact O-SG 3.17Å; F648-R681 WeakPolarHBondContact CE2-O 3.34Å; F648-P685 HydrophobicContact CD2-CG 4.26Å; F648-P685 HydrophobicContact CE2-CG 3.25Å; F648-P685 HydrophobicContact CZ-CG 3.42Å; F648-P685 VanDerWaalsContact CZ-CG 3.42Å; F648-W688 HydrophobicContact CE1-CH2 4.35Å; F648-W688 HydrophobicContact CE1-CZ3 4.09Å; F648-W688 AromaticContact CZ-CH2 3.76Å; F648-W688 HydrophobicContact CZ-CH2 3.76Å; F648-W688 AromaticContact CZ-CZ3 3.68Å; F648-W688 HydrophobicContact CZ-CZ3 3.68Å
649G96.3Very high93Very high11 Ų1131.3 Ų31.311%0.11315%0.147CC..Hα-helixtrans-59.6-4017500000112.3I330 R645 I646 V647 C652 Q653I330-G649 VanDerWaalsContact CG2-C 3.44Å; I330-G649 WeakPolarHBondContact CG2-O 3.4Å; R645-G649 WeakPolarHBondContact O-CA 3.11Å; R645-G649 PolarHBondContact O-N 3.48Å; I646-G649 CarbonylContact O-C 3.56Å; I646-G649 WeakPolarHBondContact O-CA 3.49Å; I646-G649 PolarHBondContact O-N 2.92Å; I646-G649 VanDerWaalsContact O-N 3.16Å; V647-G649 VanDerWaalsContact C-N 3.31Å; V647-G649 PolarHBondContact O-N 3.1Å; G649-C652 PolarHBondContact O-N 3.19Å; G649-Q653 WeakPolarHBondContact O-CB 3.28Å; G649-Q653 PolarHBondContact O-N 3.06Å
650R97.3Very high93.2Very high5 Ų522.7 Ų22.72%0.01912%0.118CC..Hα-helixtrans-65.8-39.3176.4-66.3-67.9-176-165.1-0.2112.1D334 W557 F622 I646 V647 F648 Q653 F654D334-R650 IonicContact OD1-CZ 3.73Å; D334-R650 IonicContact OD1-NH1 3.55Å; D334-R650 PolarHBondContact OD1-NH1 3.29Å; D334-R650 IonicContact OD1-NH2 3.03Å; D334-R650 PolarHBondContact OD1-NH2 2.85Å; D334-R650 IonicContact OD2-CZ 2.77Å; D334-R650 IonicContact OD2-NH1 3.88Å; D334-R650 PolarHBondContact OD2-NH1 3.2Å; D334-R650 IonicContact OD2-NH2 4Å; D334-R650 PolarHBondContact OD2-NH2 3.37Å; W557-R650 HydrophobicContact CD2-CB 4.13Å; W557-R650 VanDerWaalsContact CD2-CD 3.46Å; W557-R650 HydrophobicContact CD2-CG 3.66Å; W557-R650 HydrophobicContact CE3-CB 4.02Å; W557-R650 HydrophobicContact CE3-CG 4.08Å; W557-R650 VanDerWaalsContact CG-CD 3.47Å; W557-R650 HydrophobicContact CG-CG 4.14Å; W557-R650 HydrophobicContact CH2-CB 3.95Å; W557-R650 HydrophobicContact CH2-CG 4.2Å; W557-R650 HydrophobicContact CZ2-CB 4.06Å; W557-R650 HydrophobicContact CZ2-CG 3.79Å; W557-R650 HydrophobicContact CZ3-CB 3.94Å; W557-R650 HydrophobicContact CZ3-CG 4.34Å; F622-R650 HydrophobicContact CE1-CB 4.07Å; F622-R650 HydrophobicContact CZ-CB 3.99Å; I646-R650 HydrophobicContact CG2-CG 4.48Å; I646-R650 VanDerWaalsContact O-CG 3.27Å; I646-R650 WeakPolarHBondContact O-CG 3.48Å; I646-R650 PolarHBondContact O-N 3.3Å; V647-R650 WeakPolarHBondContact O-CB 3.33Å; V647-R650 PolarHBondContact O-N 3.5Å; F648-R650 VanDerWaalsContact C-N 3.31Å; F648-R650 PolarHBondContact O-N 3.48Å; R650-Q653 WeakPolarHBondContact O-CB 3.47Å; R650-Q653 PolarHBondContact O-N 3Å; R650-F654 PolarHBondContact O-N 3.39Å
651M97.6Very high93.6Very high0 Ų021 Ų210%011%0.106CC..Hα-helixtrans-62-47172.6-171.5177.470.200111.3F619 F622 L626 V647 F648 Q653 F654 F655 I682 P685F619-M651 HydrophobicContact CD1-CG 4.11Å; F619-M651 HydrophobicContact CE1-CG 3.89Å; F622-M651 HydrophobicContact CB-CG 4.21Å; F622-M651 HydrophobicContact CB-SD 3.83Å; F622-M651 HydrophobicContact CD1-CB 3.96Å; F622-M651 HydrophobicContact CD1-CG 4.49Å; F622-M651 HydrophobicContact CD2-CB 4.08Å; F622-M651 HydrophobicContact CD2-CG 3.97Å; F622-M651 HydrophobicContact CE1-CB 4.08Å; F622-M651 HydrophobicContact CE2-CB 4.18Å; F622-M651 HydrophobicContact CE2-CG 4.42Å; F622-M651 HydrophobicContact CG-CB 3.97Å; F622-M651 HydrophobicContact CG-CG 4.01Å; F622-M651 HydrophobicContact CG-SD 4.27Å; F622-M651 HydrophobicContact CZ-CB 4.18Å; L626-M651 HydrophobicContact CD1-CE 3.94Å; L626-M651 HydrophobicContact CD1-SD 3.92Å; V647-M651 PolarHBondContact O-N 2.78Å; V647-M651 VanDerWaalsContact O-N 3.08Å; F648-M651 HydrophobicContact CD2-CE 4.25Å; F648-M651 HydrophobicContact CE2-CE 4.37Å; F648-M651 WeakPolarHBondContact O-CB 3.28Å; F648-M651 PolarHBondContact O-N 3.26Å; M651-Q653 VanDerWaalsContact C-N 3.33Å; M651-Q653 PolarHBondContact O-N 3.43Å; M651-F654 PolarHBondContact O-N 2.57Å; M651-F655 HydrophobicContact CE-CE2 4.49Å; M651-F655 HydrophobicContact CG-CD2 4.17Å; M651-F655 HydrophobicContact CG-CE2 3.87Å; M651-F655 WeakPolarHBondContact O-CD2 3.39Å; M651-F655 PolarHBondContact O-N 3.14Å; M651-F655 VanDerWaalsContact O-N 3.09Å; M651-F655 HydrophobicContact SD-CE2 4.34Å; M651-I682 HydrophobicContact CE-CG2 4.44Å; M651-P685 HydrophobicContact CE-CB 3.85Å; M651-P685 HydrophobicContact CE-CG 3.63Å
652C96.4Very high93.8Very high8 Ų819 Ų195%0.0549%0.092CC..Hα-helixtrans-62.8-38.3176-65.20000112.6L135 F648 G649 F654 F655 T656L135-C652 HydrophobicContact CD2-CB 3.81Å; F648-C652 WeakPolarHBondContact CE1-SG 3.09Å; F648-C652 PolarHBondContact O-N 3.47Å; F648-C652 PolarHBondContact O-SG 3.17Å; G649-C652 PolarHBondContact O-N 3.19Å; C652-F654 VanDerWaalsContact C-N 3.31Å; C652-F654 PolarHBondContact O-N 3.02Å; C652-F655 PolarHBondContact O-N 3.43Å; C652-T656 WeakPolarHBondContact O-CG2 3.43Å; C652-T656 PolarHBondContact O-N 2.93Å; C652-T656 PolarHBondContact O-OG1 3.12Å
653Q95.8Very high93.8Very high15 Ų1518.3 Ų18.37%0.079%0.087CC..Hα-helixtrans-60.8-41.4174.4179.6-177.813.900110.8I330 A331 F561 G649 R650 M651 T656 T657I330-Q653 HydrophobicContact CG2-CB 4.16Å; A331-Q653 HydrophobicContact CB-CG 3.87Å; F561-Q653 HydrophobicContact CE1-CG 4.39Å; F561-Q653 HydrophobicContact CE2-CG 4.16Å; F561-Q653 HydrophobicContact CZ-CB 4.32Å; F561-Q653 HydrophobicContact CZ-CG 3.59Å; G649-Q653 WeakPolarHBondContact O-CB 3.28Å; G649-Q653 PolarHBondContact O-N 3.06Å; R650-Q653 WeakPolarHBondContact O-CB 3.47Å; R650-Q653 PolarHBondContact O-N 3Å; M651-Q653 VanDerWaalsContact C-N 3.33Å; M651-Q653 PolarHBondContact O-N 3.43Å; Q653-T656 WeakPolarHBondContact CA-OG1 3.45Å; Q653-T656 PolarHBondContact O-N 3.18Å; Q653-T656 PolarHBondContact O-OG1 3.47Å; Q653-T657 HydrophobicContact CG-CG2 4.07Å; Q653-T657 WeakPolarHBondContact O-CB 3.47Å; Q653-T657 WeakPolarHBondContact O-CG2 3.39Å; Q653-T657 PolarHBondContact O-N 3.37Å; Q653-T657 PolarHBondContact O-OG1 2.91Å
654F96Very high93.7Very high2 Ų221 Ų211%0.00910%0.097CC..Hα-helixtrans-66.3-44.9178.2-157.2-94.8000111.4F561 F564 F614 I615 L618 F619 R650 M651 C652 T656 Q658 I662F561-F654 HydrophobicContact CD1-CD2 4.22Å; F561-F654 HydrophobicContact CD1-CE2 4.41Å; F561-F654 AromaticContact CE1-CD2 3.57Å; F561-F654 HydrophobicContact CE1-CD2 3.57Å; F561-F654 HydrophobicContact CE1-CE2 4.18Å; F561-F654 HydrophobicContact CE1-CG 4.49Å; F561-F654 HydrophobicContact CZ-CD2 4.04Å; F564-F654 HydrophobicContact CB-CE2 4.38Å; F564-F654 HydrophobicContact CB-CZ 4.43Å; F564-F654 HydrophobicContact CD1-CE2 4.3Å; F564-F654 AromaticContact CD1-CZ 3.93Å; F564-F654 HydrophobicContact CD1-CZ 3.93Å; F564-F654 HydrophobicContact CD2-CZ 4.09Å; F564-F654 HydrophobicContact CE1-CZ 4.17Å; F564-F654 HydrophobicContact CE2-CZ 4.32Å; F564-F654 HydrophobicContact CG-CE2 4.24Å; F564-F654 AromaticContact CG-CZ 3.86Å; F564-F654 HydrophobicContact CG-CZ 3.86Å; F564-F654 HydrophobicContact CZ-CZ 4.34Å; F614-F654 HydrophobicContact CD1-CZ 4.06Å; F614-F654 AromaticContact CE1-CE2 3.88Å; F614-F654 HydrophobicContact CE1-CE2 3.88Å; F614-F654 AromaticContact CE1-CZ 3.64Å; F614-F654 HydrophobicContact CE1-CZ 3.64Å; I615-F654 HydrophobicContact CG1-CE1 4.33Å; L618-F654 HydrophobicContact CD2-CD1 3.8Å; L618-F654 HydrophobicContact CD2-CD2 3.54Å; L618-F654 HydrophobicContact CD2-CE1 3.81Å; L618-F654 HydrophobicContact CD2-CE2 3.54Å; L618-F654 HydrophobicContact CD2-CG 3.68Å; L618-F654 HydrophobicContact CD2-CZ 3.69Å; F619-F654 HydrophobicContact CE2-CD1 4.16Å; F619-F654 AromaticContact CZ-CD1 3.83Å; F619-F654 HydrophobicContact CZ-CD1 3.83Å; R650-F654 PolarHBondContact O-N 3.39Å; M651-F654 PolarHBondContact O-N 2.57Å; C652-F654 VanDerWaalsContact C-N 3.31Å; C652-F654 PolarHBondContact O-N 3.02Å; F654-T656 VanDerWaalsContact C-N 3.26Å; F654-T656 PolarHBondContact O-N 2.9Å; F654-Q658 HydrophobicContact CD2-CG 4.24Å; F654-Q658 HydrophobicContact CE1-CB 4.27Å; F654-Q658 HydrophobicContact CE1-CG 4.43Å; F654-Q658 HydrophobicContact CE2-CG 3.92Å; F654-Q658 HydrophobicContact CZ-CB 4.29Å; F654-Q658 HydrophobicContact CZ-CG 4.01Å; F654-Q658 PolarHBondContact O-N 3.05Å; F654-Q658 VanDerWaalsContact O-N 3.14Å; F654-I662 HydrophobicContact CD1-CD1 3.72Å; F654-I662 HydrophobicContact CD1-CG1 4.5Å; F654-I662 HydrophobicContact CE1-CD1 4Å; F654-I662 HydrophobicContact CE1-CG1 4.32Å; F654-I662 VanDerWaalsContact O-CD1 3.29Å; F654-I662 WeakPolarHBondContact O-CD1 3.44Å
655F94.5Very high93.7Very high0 Ų021 Ų210%010%0.098CC..Hα-helixtrans-55.6-38.3174-83.1-57.9000113.8F619 M651 C652 C659 I662 F674 P685 Y686 F689F619-F655 HydrophobicContact CD1-CE2 4.2Å; F619-F655 AromaticContact CD1-CZ 3.95Å; F619-F655 HydrophobicContact CD1-CZ 3.95Å; F619-F655 HydrophobicContact CE1-CD1 4.09Å; F619-F655 AromaticContact CE1-CD2 3.86Å; F619-F655 HydrophobicContact CE1-CD2 3.86Å; F619-F655 AromaticContact CE1-CE1 3.67Å; F619-F655 HydrophobicContact CE1-CE1 3.67Å; F619-F655 AromaticContact CE1-CE2 3.43Å; F619-F655 HydrophobicContact CE1-CE2 3.43Å; F619-F655 VanDerWaalsContact CE1-CE2 3.43Å; F619-F655 HydrophobicContact CE1-CG 4.17Å; F619-F655 AromaticContact CE1-CZ 3.32Å; F619-F655 HydrophobicContact CE1-CZ 3.32Å; F619-F655 HydrophobicContact CE2-CD1 4.39Å; F619-F655 AromaticContact CE2-CE1 3.91Å; F619-F655 HydrophobicContact CE2-CE1 3.91Å; F619-F655 HydrophobicContact CE2-CZ 4.28Å; F619-F655 AromaticContact CZ-CD1 3.56Å; F619-F655 HydrophobicContact CZ-CD1 3.56Å; F619-F655 HydrophobicContact CZ-CD2 4.14Å; F619-F655 AromaticContact CZ-CE1 3.3Å; F619-F655 HydrophobicContact CZ-CE1 3.3Å; F619-F655 AromaticContact CZ-CE2 3.94Å; F619-F655 HydrophobicContact CZ-CE2 3.94Å; F619-F655 AromaticContact CZ-CG 3.97Å; F619-F655 HydrophobicContact CZ-CG 3.97Å; F619-F655 AromaticContact CZ-CZ 3.52Å; F619-F655 HydrophobicContact CZ-CZ 3.52Å; M651-F655 HydrophobicContact CE-CE2 4.49Å; M651-F655 HydrophobicContact CG-CD2 4.17Å; M651-F655 HydrophobicContact CG-CE2 3.87Å; M651-F655 WeakPolarHBondContact O-CD2 3.39Å; M651-F655 PolarHBondContact O-N 3.14Å; M651-F655 VanDerWaalsContact O-N 3.09Å; M651-F655 HydrophobicContact SD-CE2 4.34Å; C652-F655 PolarHBondContact O-N 3.43Å; F655-C659 WeakPolarHBondContact O-CA 3.4Å; F655-C659 VanDerWaalsContact O-CB 3.28Å; F655-C659 WeakPolarHBondContact O-CB 3.46Å; F655-I662 HydrophobicContact CD1-CD1 4.24Å; F655-I662 HydrophobicContact CD1-CG2 4.24Å; F655-I662 HydrophobicContact CE1-CG2 4.33Å; F655-F674 HydrophobicContact CE1-CE2 4.47Å; F655-F674 HydrophobicContact CE2-CZ 4.22Å; F655-F674 HydrophobicContact CZ-CE1 4.13Å; F655-F674 AromaticContact CZ-CE2 3.86Å; F655-F674 HydrophobicContact CZ-CE2 3.86Å; F655-F674 AromaticContact CZ-CZ 3.53Å; F655-F674 HydrophobicContact CZ-CZ 3.53Å; F655-P685 HydrophobicContact CD2-CB 4Å; F655-P685 HydrophobicContact CE2-CB 3.92Å; F655-Y686 HydrophobicContact CE1-CD2 4.11Å; F655-Y686 HydrophobicContact CZ-CD2 4.34Å; F655-F689 HydrophobicContact CB-CB 4.17Å; F655-F689 HydrophobicContact CB-CD2 4.4Å; F655-F689 HydrophobicContact CB-CG 4.49Å; F655-F689 HydrophobicContact CD1-CB 3.77Å; F655-F689 HydrophobicContact CD1-CD1 4.1Å; F655-F689 HydrophobicContact CD1-CD2 4.1Å; F655-F689 AromaticContact CD1-CG 3.7Å; F655-F689 HydrophobicContact CD1-CG 3.7Å; F655-F689 HydrophobicContact CE1-CB 4.4Å; F655-F689 HydrophobicContact CE1-CD1 4.31Å; F655-F689 HydrophobicContact CE1-CG 4.33Å; F655-F689 HydrophobicContact CG-CB 4.07Å; F655-F689 HydrophobicContact CG-CG 4.39Å; F655-F689 WeakPolarHBondContact O-CD2 3.5Å
656T91.3Very high93.7Very high0 Ų019 Ų190%09%0.094CC..Hα-helixtrans-81.8-50.9-178.7470000112.5L135 I136 P286 C652 Q653 F654 Q658 C659L135-T656 HydrophobicContact CB-CG2 3.59Å; L135-T656 HydrophobicContact CD1-CG2 4.16Å; L135-T656 HydrophobicContact CD2-CG2 4.14Å; L135-T656 HydrophobicContact CG-CG2 4.18Å; I136-T656 HydrophobicContact CG2-CG2 4.48Å; P286-T656 VanDerWaalsContact CB-O 3.25Å; P286-T656 WeakPolarHBondContact CB-O 3.23Å; C652-T656 WeakPolarHBondContact O-CG2 3.43Å; C652-T656 PolarHBondContact O-N 2.93Å; C652-T656 PolarHBondContact O-OG1 3.12Å; Q653-T656 WeakPolarHBondContact CA-OG1 3.45Å; Q653-T656 PolarHBondContact O-N 3.18Å; Q653-T656 PolarHBondContact O-OG1 3.47Å; F654-T656 VanDerWaalsContact C-N 3.26Å; F654-T656 PolarHBondContact O-N 2.9Å; T656-Q658 PolarHBondContact O-N 3.14Å; T656-C659 WeakPolarHBondContact O-CB 3.39Å; T656-C659 PolarHBondContact O-SG 3.28Å
657T90Very high93.6Very high15 Ų1525.8 Ų25.89%0.09212%0.123CC..Hα-helixtrans-74.5-24.7-170.755.70000114K287 F561 Q653K287-T657 WeakPolarHBondContact CE-O 3.41Å; K287-T657 PolarHBondContact NZ-O 3.45Å; F561-T657 WeakPolarHBondContact CE1-OG1 3.44Å; Q653-T657 HydrophobicContact CG-CG2 4.07Å; Q653-T657 WeakPolarHBondContact O-CB 3.47Å; Q653-T657 WeakPolarHBondContact O-CG2 3.39Å; Q653-T657 PolarHBondContact O-N 3.37Å; Q653-T657 PolarHBondContact O-OG1 2.91Å
658Q92.1Very high93.7Very high4 Ų429.1 Ų29.12%0.01914%0.139CC..THydrogen-bonded Turntrans-117.530.7-179.7-53.4-59.5-14.100111.3F564 D565 F654 T656 I660 E661 I662F564-Q658 HydrophobicContact CD1-CB 4.18Å; F564-Q658 VanDerWaalsContact CD1-CD 3.42Å; F564-Q658 HydrophobicContact CD1-CG 3.61Å; F564-Q658 HydrophobicContact CE1-CB 3.68Å; F564-Q658 HydrophobicContact CE1-CG 3.65Å; D565-Q658 PolarHBondContact OD1-NE2 3.1Å; F654-Q658 HydrophobicContact CD2-CG 4.24Å; F654-Q658 HydrophobicContact CE1-CB 4.27Å; F654-Q658 HydrophobicContact CE1-CG 4.43Å; F654-Q658 HydrophobicContact CE2-CG 3.92Å; F654-Q658 HydrophobicContact CZ-CB 4.29Å; F654-Q658 HydrophobicContact CZ-CG 4.01Å; F654-Q658 PolarHBondContact O-N 3.05Å; F654-Q658 VanDerWaalsContact O-N 3.14Å; T656-Q658 PolarHBondContact O-N 3.14Å; Q658-I660 VanDerWaalsContact C-N 3.31Å; Q658-I660 PolarHBondContact O-N 3.02Å; Q658-E661 PolarHBondContact O-N 3.32Å; Q658-I662 HydrophobicContact CB-CD1 4.13Å; Q658-I662 HydrophobicContact CB-CG1 4.49Å; Q658-I662 WeakPolarHBondContact O-CD1 3.48Å; Q658-I662 WeakPolarHBondContact O-CG1 3.4Å; Q658-I662 PolarHBondContact O-N 3.18Å
659C90Very high93.7Very high18 Ų1827.4 Ų27.412%0.12213%0.131CC..Hα-helixtrans-62.3-34.9-169.261.90000113.7F655 T656 Q663 F689 F692 M693F655-C659 WeakPolarHBondContact O-CA 3.4Å; F655-C659 VanDerWaalsContact O-CB 3.28Å; F655-C659 WeakPolarHBondContact O-CB 3.46Å; T656-C659 WeakPolarHBondContact O-CB 3.39Å; T656-C659 PolarHBondContact O-SG 3.28Å; C659-Q663 VanDerWaalsContact O-CB 3.28Å; C659-Q663 WeakPolarHBondContact O-CB 3.47Å; C659-Q663 PolarHBondContact O-N 2.93Å; C659-F689 HydrophobicContact CB-CD2 4.39Å; C659-F689 HydrophobicContact CB-CE2 3.9Å; C659-F692 HydrophobicContact CB-CD1 4.47Å; C659-F692 HydrophobicContact CB-CE1 4.21Å; C659-M693 HydrophobicContact CB-CE 4.47Å; C659-M693 HydrophobicContact CB-SD 3.66Å
660I88Confident93.7Very high57 Ų5727.8 Ų27.829%0.29214%0.135SC..Hα-helixtrans-65.1-47.8-178.8-63.6164.7000109.9A202 Q658 Q663A202-I660 HydrophobicContact CB-CG2 4.21Å; A202-I660 WeakPolarHBondContact O-CD1 3.48Å; Q658-I660 VanDerWaalsContact C-N 3.31Å; Q658-I660 PolarHBondContact O-N 3.02Å; I660-Q663 PolarHBondContact O-N 2.92Å
661E91.1Very high93.6Very high32 Ų3233.4 Ų33.415%0.1516%0.162CC..Hα-helixtrans-69-40.9-179-64.880.5178.900111.1F564 I615 Q658 Q663 R664 H665F564-E661 HydrophobicContact CE1-CB 4.09Å; F564-E661 HydrophobicContact CE1-CG 4.15Å; F564-E661 HydrophobicContact CZ-CB 3.77Å; F564-E661 HydrophobicContact CZ-CG 4.13Å; I615-E661 HydrophobicContact CD1-CB 4.5Å; Q658-E661 PolarHBondContact O-N 3.32Å; E661-Q663 VanDerWaalsContact C-N 3.31Å; E661-Q663 PolarHBondContact O-N 2.82Å; E661-R664 PolarHBondContact O-N 3.42Å; E661-H665 PolarHBondContact O-CD2 3.32Å
662I93.7Very high93.6Very high0 Ų037.4 Ų37.40%019%0.186CC..Hα-helixtrans-65.2-37.4176.2-64.5165.1000110.7I615 F619 F654 F655 Q658 R664 H665 S666 L669 F689I615-I662 HydrophobicContact CD1-CG1 4.41Å; I615-I662 HydrophobicContact CG2-CG1 4.44Å; F619-I662 HydrophobicContact CE2-CD1 4.07Å; F619-I662 HydrophobicContact CE2-CG1 4.26Å; F619-I662 HydrophobicContact CE2-CG2 4.34Å; F619-I662 HydrophobicContact CZ-CD1 3.97Å; F654-I662 HydrophobicContact CD1-CD1 3.72Å; F654-I662 HydrophobicContact CD1-CG1 4.5Å; F654-I662 HydrophobicContact CE1-CD1 4Å; F654-I662 HydrophobicContact CE1-CG1 4.32Å; F654-I662 VanDerWaalsContact O-CD1 3.29Å; F654-I662 WeakPolarHBondContact O-CD1 3.44Å; F655-I662 HydrophobicContact CD1-CD1 4.24Å; F655-I662 HydrophobicContact CD1-CG2 4.24Å; F655-I662 HydrophobicContact CE1-CG2 4.33Å; Q658-I662 HydrophobicContact CB-CD1 4.13Å; Q658-I662 HydrophobicContact CB-CG1 4.49Å; Q658-I662 WeakPolarHBondContact O-CD1 3.48Å; Q658-I662 WeakPolarHBondContact O-CG1 3.4Å; Q658-I662 PolarHBondContact O-N 3.18Å; I662-R664 VanDerWaalsContact C-N 3.25Å; I662-R664 PolarHBondContact O-N 3.38Å; I662-H665 CarbonylContact O-C 3.17Å; I662-H665 PolarHBondContact O-N 3.4Å; I662-S666 PolarHBondContact O-N 3.45Å; I662-L669 HydrophobicContact CG2-CD1 3.74Å; I662-F689 HydrophobicContact CB-CE2 4.22Å; I662-F689 HydrophobicContact CB-CZ 3.95Å; I662-F689 HydrophobicContact CG2-CD1 4.41Å; I662-F689 HydrophobicContact CG2-CE1 3.74Å; I662-F689 HydrophobicContact CG2-CE2 4.07Å; I662-F689 HydrophobicContact CG2-CZ 3.54Å
663Q91.5Very high93.6Very high30 Ų3038.2 Ų38.214%0.1419%0.19CC..Hα-helixtrans-58.7-37.4-178.4-173.7179.330.300112.5M201 C659 I660 E661 H665 S666 F689 M693M201-Q663 PolarHBondContact SD-NE2 3.04Å; C659-Q663 VanDerWaalsContact O-CB 3.28Å; C659-Q663 WeakPolarHBondContact O-CB 3.47Å; C659-Q663 PolarHBondContact O-N 2.93Å; I660-Q663 PolarHBondContact O-N 2.92Å; E661-Q663 VanDerWaalsContact C-N 3.31Å; E661-Q663 PolarHBondContact O-N 2.82Å; Q663-H665 PolarHBondContact O-N 3.48Å; Q663-H665 VanDerWaalsContact O-N 3.13Å; Q663-S666 WeakPolarHBondContact O-CB 3.29Å; Q663-S666 PolarHBondContact O-N 3.2Å; Q663-S666 VanDerWaalsContact O-N 3.11Å; Q663-S666 PolarHBondContact O-OG 3.15Å; Q663-F689 HydrophobicContact CB-CZ 4.16Å; Q663-M693 HydrophobicContact CB-CE 4.09Å; Q663-M693 VanDerWaalsContact CD-CE 3.4Å; Q663-M693 HydrophobicContact CG-CE 4.23Å
664R90.5Very high93.7Very high110 Ų11037.8 Ų37.842%0.41519%0.188SC..THydrogen-bonded Turntrans-57-27.6176.3-62.5175.6-176.5176.9-3.9113Y571 E661 I662Y571-R664 VanDerWaalsContact CE1-NH1 3.33Å; Y571-R664 VanDerWaalsContact CZ-NH1 3.33Å; E661-R664 PolarHBondContact O-N 3.42Å; I662-R664 VanDerWaalsContact C-N 3.25Å; I662-R664 PolarHBondContact O-N 3.38Å
665H93.7Very high93.6Very high22 Ų2239.7 Ų39.710%0.10220%0.199CC..THydrogen-bonded Turntrans-112.74.2-178.1-55-63.5000113.2F616 E661 I662 Q663 K667 E668 L669F616-H665 HydrophobicContact CE2-CB 4.1Å; E661-H665 PolarHBondContact O-CD2 3.32Å; I662-H665 CarbonylContact O-C 3.17Å; I662-H665 PolarHBondContact O-N 3.4Å; Q663-H665 PolarHBondContact O-N 3.48Å; Q663-H665 VanDerWaalsContact O-N 3.13Å; H665-K667 PolarHBondContact O-N 3.04Å; H665-E668 PolarHBondContact O-N 3.1Å; H665-L669 HydrophobicContact CB-CD1 4.33Å; H665-L669 HydrophobicContact CB-CG 4.41Å; H665-L669 WeakPolarHBondContact O-CG 3.35Å; H665-L669 PolarHBondContact O-N 2.93Å
666S93.5Very high93.3Very high25 Ų2543.4 Ų43.418%0.17524%0.238CC..Hα-helixtrans-52.9-50.1-172.955.60000113.1I662 Q663 E668 L669 G670 Y686I662-S666 PolarHBondContact O-N 3.45Å; Q663-S666 WeakPolarHBondContact O-CB 3.29Å; Q663-S666 PolarHBondContact O-N 3.2Å; Q663-S666 VanDerWaalsContact O-N 3.11Å; Q663-S666 PolarHBondContact O-OG 3.15Å; S666-E668 PolarHBondContact O-N 3.27Å; S666-L669 WeakPolarHBondContact O-CB 3.31Å; S666-L669 PolarHBondContact O-N 3.48Å; S666-G670 PolarHBondContact O-N 2.92Å; S666-Y686 PolarHBondContact O-OH 2.78Å
667K94.4Very high93.4Very high152 Ų15250.1 Ų50.166%0.66127%0.274SS*.Hα-helixtrans-55.8-49.7179.4-177.1179.4173.7-176.20111.9H665 G670 E671H665-K667 PolarHBondContact O-N 3.04Å; K667-G670 PolarHBondContact O-N 3.11Å; K667-E671 WeakPolarHBondContact CE-OE1 3.44Å; K667-E671 WeakPolarHBondContact O-CG 3.5Å; K667-E671 PolarHBondContact O-N 3.16Å; K667-E671 VanDerWaalsContact O-N 3.08Å
668E96.9Very high93.6Very high70 Ų7050.6 Ų50.633%0.32728%0.276SS..Hα-helixtrans-67.8-37.6-179.6-168.6-177.3175.900111.7K612 F616 H665 S666 G670 E671 V672K612-E668 VanDerWaalsContact CE-OE1 3.24Å; K612-E668 WeakPolarHBondContact CE-OE1 3.35Å; K612-E668 WeakPolarHBondContact CE-OE2 2.97Å; K612-E668 IonicContact NZ-OE1 2.71Å; K612-E668 PolarHBondContact NZ-OE1 3.49Å; K612-E668 IonicContact NZ-OE2 3.77Å; K612-E668 PolarHBondContact NZ-OE2 3.33Å; F616-E668 HydrophobicContact CE1-CG 4.17Å; F616-E668 HydrophobicContact CZ-CB 4Å; F616-E668 HydrophobicContact CZ-CG 3.69Å; H665-E668 PolarHBondContact O-N 3.1Å; S666-E668 PolarHBondContact O-N 3.27Å; E668-G670 VanDerWaalsContact C-N 3.3Å; E668-G670 PolarHBondContact O-N 3.36Å; E668-E671 PolarHBondContact O-N 3.4Å; E668-V672 HydrophobicContact CG-CG2 4.06Å; E668-V672 WeakPolarHBondContact O-CB 3.35Å; E668-V672 WeakPolarHBondContact O-CG2 3.13Å; E668-V672 PolarHBondContact O-N 3.34Å
669L96.5Very high93.7Very high0 Ų052.6 Ų52.60%029%0.287CS..Hα-helixtrans-58.6-41.7172.8-75.2170.3000111.7I615 F616 F619 I662 H665 S666 L673 F674 Y686I615-L669 HydrophobicContact CG2-CD1 3.99Å; I615-L669 HydrophobicContact CG2-CD2 4.21Å; F616-L669 HydrophobicContact CD1-CD2 4.24Å; F616-L669 HydrophobicContact CD2-CD2 3.86Å; F616-L669 HydrophobicContact CE1-CD2 4.06Å; F616-L669 HydrophobicContact CE2-CD2 3.67Å; F616-L669 HydrophobicContact CE2-CG 3.95Å; F616-L669 HydrophobicContact CG-CD2 4.15Å; F616-L669 HydrophobicContact CZ-CD2 3.77Å; F616-L669 HydrophobicContact CZ-CG 4Å; F619-L669 HydrophobicContact CD2-CD1 4.44Å; F619-L669 HydrophobicContact CD2-CD2 4.21Å; F619-L669 HydrophobicContact CE2-CD1 4.44Å; I662-L669 HydrophobicContact CG2-CD1 3.74Å; H665-L669 HydrophobicContact CB-CD1 4.33Å; H665-L669 HydrophobicContact CB-CG 4.41Å; H665-L669 WeakPolarHBondContact O-CG 3.35Å; H665-L669 PolarHBondContact O-N 2.93Å; S666-L669 WeakPolarHBondContact O-CB 3.31Å; S666-L669 PolarHBondContact O-N 3.48Å; L669-L673 HydrophobicContact CD2-CD1 3.81Å; L669-L673 WeakPolarHBondContact O-CA 3.46Å; L669-L673 PolarHBondContact O-N 3.39Å; L669-F674 HydrophobicContact CB-CD2 4.25Å; L669-F674 PolarHBondContact O-N 2.91Å; L669-Y686 HydrophobicContact CB-CE2 4.41Å
670G96.5Very high93.9Very high19 Ų1955.8 Ų55.820%0.19631%0.307CS..Hα-helixtrans-68.1-32.3175.700000114.1S666 K667 E668 F674 Y686S666-G670 PolarHBondContact O-N 2.92Å; K667-G670 PolarHBondContact O-N 3.11Å; E668-G670 VanDerWaalsContact C-N 3.3Å; E668-G670 PolarHBondContact O-N 3.36Å; G670-F674 CarbonylContact O-C 3.6Å; G670-Y686 WeakPolarHBondContact CA-OH 3.4Å
671E96.2Very high94.2Very high122 Ų12256.8 Ų56.857%0.5731%0.307SS*.Hα-helixtrans-79.3-30.8178.9-71.8172.2-178.400112.8K667 E668 T675K667-E671 WeakPolarHBondContact CE-OE1 3.44Å; K667-E671 WeakPolarHBondContact O-CG 3.5Å; K667-E671 PolarHBondContact O-N 3.16Å; K667-E671 VanDerWaalsContact O-N 3.08Å; E668-E671 PolarHBondContact O-N 3.4Å; E671-T675 VanDerWaalsContact O-CG2 3.28Å; E671-T675 WeakPolarHBondContact O-CG2 3.32Å
672V96.5Very high94.4Very high84 Ų8455.2 Ų55.251%0.50930%0.3SS..Hα-helixtrans-106.5-41.3-170.9179.10000113.5F616 E668F616-V672 HydrophobicContact CE1-CB 4.16Å; F616-V672 HydrophobicContact CE1-CG1 4.26Å; F616-V672 HydrophobicContact CE1-CG2 4.5Å; E668-V672 HydrophobicContact CG-CG2 4.06Å; E668-V672 WeakPolarHBondContact O-CB 3.35Å; E668-V672 WeakPolarHBondContact O-CG2 3.13Å; E668-V672 PolarHBondContact O-N 3.34Å
673L97Very high94.5Very high26 Ų2655.7 Ų55.714%0.13630%0.302CS..THydrogen-bonded Turntrans-113.6-44-170.9-66.5-176000113.3F616 F619 Q620 I623 L669 T675F616-L673 HydrophobicContact CB-CD1 4.43Å; F616-L673 HydrophobicContact CD1-CD1 3.93Å; F616-L673 HydrophobicContact CD1-CG 4.25Å; F616-L673 HydrophobicContact CG-CD1 4.32Å; F619-L673 HydrophobicContact CB-CD1 3.92Å; Q620-L673 HydrophobicContact CB-CD2 4.26Å; I623-L673 HydrophobicContact CD1-CB 3.84Å; L669-L673 HydrophobicContact CD2-CD1 3.81Å; L669-L673 WeakPolarHBondContact O-CA 3.46Å; L669-L673 PolarHBondContact O-N 3.39Å; L673-T675 PolarHBondContact O-N 2.92Å
674F96.8Very high94.6Very high6 Ų656.6 Ų56.63%0.02631%0.306CS..SBendtrans-100.753.6-176.1-64.1-78000111.4F619 I623 F655 L669 G670 L678 I683 Y686F619-F674 HydrophobicContact CB-CE2 4.06Å; F619-F674 HydrophobicContact CB-CZ 4.01Å; F619-F674 HydrophobicContact CD1-CE2 4.22Å; F619-F674 AromaticContact CD1-CZ 3.73Å; F619-F674 HydrophobicContact CD1-CZ 3.73Å; F619-F674 HydrophobicContact CD2-CE2 4.36Å; F619-F674 HydrophobicContact CE1-CZ 4.39Å; F619-F674 AromaticContact CG-CE2 3.98Å; F619-F674 HydrophobicContact CG-CE2 3.98Å; F619-F674 AromaticContact CG-CZ 3.9Å; F619-F674 HydrophobicContact CG-CZ 3.9Å; I623-F674 HydrophobicContact CD1-CD1 4.32Å; I623-F674 HydrophobicContact CD1-CE1 3.96Å; I623-F674 HydrophobicContact CD1-CZ 4.06Å; I623-F674 HydrophobicContact CG1-CE1 4.16Å; I623-F674 HydrophobicContact CG1-CZ 4.47Å; F655-F674 HydrophobicContact CE1-CE2 4.47Å; F655-F674 HydrophobicContact CE2-CZ 4.22Å; F655-F674 HydrophobicContact CZ-CE1 4.13Å; F655-F674 AromaticContact CZ-CE2 3.86Å; F655-F674 HydrophobicContact CZ-CE2 3.86Å; F655-F674 AromaticContact CZ-CZ 3.53Å; F655-F674 HydrophobicContact CZ-CZ 3.53Å; L669-F674 HydrophobicContact CB-CD2 4.25Å; L669-F674 PolarHBondContact O-N 2.91Å; G670-F674 CarbonylContact O-C 3.6Å; F674-L678 HydrophobicContact CD1-CD2 3.98Å; F674-I683 HydrophobicContact CB-CG1 4.29Å; F674-Y686 HydrophobicContact CB-CD1 3.52Å; F674-Y686 HydrophobicContact CB-CD2 4.46Å; F674-Y686 HydrophobicContact CB-CE1 4Å; F674-Y686 HydrophobicContact CB-CG 3.78Å; F674-Y686 HydrophobicContact CD1-CG 4.24Å; F674-Y686 HydrophobicContact CD2-CD1 4.48Å; F674-Y686 AromaticContact CD2-CD2 3.94Å; F674-Y686 HydrophobicContact CD2-CD2 3.94Å; F674-Y686 HydrophobicContact CD2-CE2 4.5Å; F674-Y686 AromaticContact CD2-CG 3.94Å; F674-Y686 HydrophobicContact CD2-CG 3.94Å; F674-Y686 HydrophobicContact CE2-CD2 4.46Å; F674-Y686 HydrophobicContact CG-CD1 4.01Å; F674-Y686 HydrophobicContact CG-CD2 4.21Å; F674-Y686 AromaticContact CG-CG 3.72Å; F674-Y686 HydrophobicContact CG-CG 3.72Å
675T94.5Very high94.9Very high41 Ų4151.3 Ų51.325%0.25229%0.287SS..  trans-78.6162.3-178.151.60000112.1E671 L673 D677 L678 I683E671-T675 VanDerWaalsContact O-CG2 3.28Å; E671-T675 WeakPolarHBondContact O-CG2 3.32Å; L673-T675 PolarHBondContact O-N 2.92Å; T675-D677 WeakPolarHBondContact CB-OD1 3.48Å; T675-D677 PolarHBondContact O-N 2.59Å; T675-D677 VanDerWaalsContact O-N 3.12Å; T675-D677 PolarHBondContact OG1-OD1 3.07Å; T675-L678 WeakPolarHBondContact O-CB 3.45Å; T675-L678 PolarHBondContact O-N 3.4Å; T675-L678 VanDerWaalsContact O-N 3.14Å; T675-I683 WeakPolarHBondContact O-CD1 3.3Å
676G89.5Confident95Very high79 Ų7951.2 Ų51.281%0.81429%0.285SS*.THydrogen-bonded Turntrans-68-9.6-171.100000116.3
677D91.8Very high95Very high140 Ų14055.9 Ų55.975%0.74930%0.299SS*.THydrogen-bonded Turntrans-87.2-11.9175.357.5-47.1000113.5T675T675-D677 WeakPolarHBondContact CB-OD1 3.48Å; T675-D677 PolarHBondContact O-N 2.59Å; T675-D677 VanDerWaalsContact O-N 3.12Å; T675-D677 PolarHBondContact OG1-OD1 3.07Å
678L94.6Very high95Very high26 Ų2649.8 Ų49.814%0.13627%0.272CS..SBendtrans-69.7147.2177.6-170.763.8000111.6I623 F674 T675 I682 I683I623-L678 HydrophobicContact CD1-CD2 4.35Å; I623-L678 HydrophobicContact CG1-CD2 4.24Å; I623-L678 HydrophobicContact CG2-CD1 3.71Å; F674-L678 HydrophobicContact CD1-CD2 3.98Å; T675-L678 WeakPolarHBondContact O-CB 3.45Å; T675-L678 PolarHBondContact O-N 3.4Å; T675-L678 VanDerWaalsContact O-N 3.14Å; L678-I682 HydrophobicContact CD1-CB 4.44Å; L678-I682 HydrophobicContact CD1-CD1 4.33Å; L678-I682 HydrophobicContact CD1-CG2 4.44Å; L678-I682 HydrophobicContact CD2-CB 3.97Å; L678-I682 HydrophobicContact CD2-CG2 3.71Å; L678-I682 HydrophobicContact CG-CB 4.06Å; L678-I682 HydrophobicContact CG-CG2 4.24Å; L678-I683 HydrophobicContact CD2-CB 4.39Å
679D94.6Very high94.8Very high46 Ų4646.5 Ų46.525%0.24626%0.257CS..  trans-50.7131.7175.8-171.1-66.6000111R681 I682 I683D679-R681 PolarHBondContact O-N 2.69Å; D679-R681 VanDerWaalsContact O-N 3.11Å; D679-R681 WeakPolarHBondContact OD1-CA 3.45Å; D679-R681 WeakPolarHBondContact OD1-CB 3.05Å; D679-R681 WeakPolarHBondContact OD1-CG 3.38Å; D679-R681 IonicContact OD1-CZ 2.93Å; D679-R681 PolarHBondContact OD1-N 3.31Å; D679-R681 IonicContact OD1-NE 3.55Å; D679-R681 PolarHBondContact OD1-NE 2.95Å; D679-R681 IonicContact OD1-NH2 2.72Å; D679-R681 IonicContact OD2-CZ 3.08Å; D679-R681 IonicContact OD2-NE 2.8Å; D679-R681 PolarHBondContact OD2-NE 3.46Å; D679-R681 IonicContact OD2-NH2 3.92Å; D679-R681 PolarHBondContact OD2-NH2 2.87Å; D679-I682 HydrophobicContact CB-CD1 4.22Å; D679-I682 HydrophobicContact CB-CG1 4.24Å; D679-I682 PolarHBondContact O-N 3.48Å; D679-I683 PolarHBondContact O-N 2.75Å; D679-I683 VanDerWaalsContact O-N 3.08Å
680P94.2Very high94.6Very high85 Ų8548.9 Ų48.955%0.55227%0.269SS*.Hα-helixtrans-51-37.8178.9-29.335.9000113.3I682 I683 E684P680-I682 PolarHBondContact O-N 2.95Å; P680-I683 PolarHBondContact O-N 2.92Å; P680-E684 VanDerWaalsContact O-CB 3.32Å; P680-E684 WeakPolarHBondContact O-CB 3.47Å; P680-E684 WeakPolarHBondContact O-CG 3.19Å; P680-E684 PolarHBondContact O-N 3.34Å
681R93.6Very high94.3Very high77 Ų7748.7 Ų48.729%0.29127%0.266SS..Hα-helixtrans-64.6-22.4179.9-61.8169.3-73.7-168.90.5112.7L630 D634 F648 D679L630-R681 HydrophobicContact CD1-CB 4Å; D634-R681 IonicContact OD1-CZ 2.85Å; D634-R681 IonicContact OD1-NH1 2.79Å; D634-R681 PolarHBondContact OD1-NH1 3.38Å; D634-R681 IonicContact OD1-NH2 3.55Å; D634-R681 PolarHBondContact OD1-NH2 3.29Å; D634-R681 IonicContact OD2-CZ 3.44Å; D634-R681 IonicContact OD2-NH1 3.79Å; D634-R681 IonicContact OD2-NH2 2.64Å; D634-R681 PolarHBondContact OD2-NH2 3Å; F648-R681 WeakPolarHBondContact CE2-O 3.34Å; D679-R681 PolarHBondContact O-N 2.69Å; D679-R681 VanDerWaalsContact O-N 3.11Å; D679-R681 WeakPolarHBondContact OD1-CA 3.45Å; D679-R681 WeakPolarHBondContact OD1-CB 3.05Å; D679-R681 WeakPolarHBondContact OD1-CG 3.38Å; D679-R681 IonicContact OD1-CZ 2.93Å; D679-R681 PolarHBondContact OD1-N 3.31Å; D679-R681 IonicContact OD1-NE 3.55Å; D679-R681 PolarHBondContact OD1-NE 2.95Å; D679-R681 IonicContact OD1-NH2 2.72Å; D679-R681 IonicContact OD2-CZ 3.08Å; D679-R681 IonicContact OD2-NE 2.8Å; D679-R681 PolarHBondContact OD2-NE 3.46Å; D679-R681 IonicContact OD2-NH2 3.92Å; D679-R681 PolarHBondContact OD2-NH2 2.87Å
682I96.1Very high94Very high0 Ų043.2 Ų43.20%024%0.24CC..Hα-helixtrans-98-33.6179.5-52.5176.4000111.4I623 L626 S627 L630 M651 L678 D679 P680 P685I623-I682 HydrophobicContact CG1-CG2 4.03Å; L626-I682 HydrophobicContact CB-CD1 3.92Å; L626-I682 HydrophobicContact CB-CG1 4.19Å; S627-I682 WeakPolarHBondContact OG-CD1 3.22Å; L630-I682 HydrophobicContact CD1-CD1 4Å; L630-I682 HydrophobicContact CD1-CG1 3.81Å; M651-I682 HydrophobicContact CE-CG2 4.44Å; L678-I682 HydrophobicContact CD1-CB 4.44Å; L678-I682 HydrophobicContact CD1-CD1 4.33Å; L678-I682 HydrophobicContact CD1-CG2 4.44Å; L678-I682 HydrophobicContact CD2-CB 3.97Å; L678-I682 HydrophobicContact CD2-CG2 3.71Å; L678-I682 HydrophobicContact CG-CB 4.06Å; L678-I682 HydrophobicContact CG-CG2 4.24Å; D679-I682 HydrophobicContact CB-CD1 4.22Å; D679-I682 HydrophobicContact CB-CG1 4.24Å; D679-I682 PolarHBondContact O-N 3.48Å; P680-I682 PolarHBondContact O-N 2.95Å; I682-P685 WeakPolarHBondContact O-CD 3.33Å
683I96Very high93.5Very high10 Ų1039.5 Ų39.55%0.05122%0.217CC..Hα-helixtrans-76.5-28178.9-156177.7000113.2F674 T675 L678 D679 P680 Y686 R687F674-I683 HydrophobicContact CB-CG1 4.29Å; T675-I683 WeakPolarHBondContact O-CD1 3.3Å; L678-I683 HydrophobicContact CD2-CB 4.39Å; D679-I683 PolarHBondContact O-N 2.75Å; D679-I683 VanDerWaalsContact O-N 3.08Å; P680-I683 PolarHBondContact O-N 2.92Å; I683-Y686 WeakPolarHBondContact O-CB 3.42Å; I683-Y686 PolarHBondContact O-N 2.82Å; I683-Y686 VanDerWaalsContact O-N 3.1Å; I683-R687 PolarHBondContact O-N 3.38Å
684E94.3Very high92.7Very high48 Ų4842.8 Ų42.822%0.22424%0.235CC..Hα-helixtrans-57.8-45.2-175.8-82.3-64.7131.900113.6P680 Y686 R687 W688P680-E684 VanDerWaalsContact O-CB 3.32Å; P680-E684 WeakPolarHBondContact O-CB 3.47Å; P680-E684 WeakPolarHBondContact O-CG 3.19Å; P680-E684 PolarHBondContact O-N 3.34Å; E684-Y686 VanDerWaalsContact C-N 3.25Å; E684-Y686 PolarHBondContact O-N 3.02Å; E684-R687 CarbonylContact O-C 3.53Å; E684-R687 WeakPolarHBondContact O-CA 3.36Å; E684-R687 WeakPolarHBondContact O-CB 3.2Å; E684-R687 PolarHBondContact O-N 3.31Å; E684-R687 WeakPolarHBondContact OE1-CD 3.47Å; E684-R687 IonicContact OE1-CZ 3.31Å; E684-R687 IonicContact OE1-NE 3.42Å; E684-R687 IonicContact OE1-NH1 2.82Å; E684-R687 PolarHBondContact OE1-NH1 3.48Å; E684-W688 HydrophobicContact CB-CZ2 3.77Å; E684-W688 PolarHBondContact O-N 3.4Å; E684-W688 PolarHBondContact O-NE1 3.18Å; E684-W688 PolarHBondContact OE2-NE1 3.13Å
685P95.1Very high92.5Very high0 Ų044.7 Ų44.70%025%0.245CC..Hα-helixtrans-54.1-37.2173.4-32.138.8000114.8F648 M651 F655 I682 W688 F689F648-P685 HydrophobicContact CD2-CG 4.26Å; F648-P685 HydrophobicContact CE2-CG 3.25Å; F648-P685 HydrophobicContact CZ-CG 3.42Å; F648-P685 VanDerWaalsContact CZ-CG 3.42Å; M651-P685 HydrophobicContact CE-CB 3.85Å; M651-P685 HydrophobicContact CE-CG 3.63Å; F655-P685 HydrophobicContact CD2-CB 4Å; F655-P685 HydrophobicContact CE2-CB 3.92Å; I682-P685 WeakPolarHBondContact O-CD 3.33Å; P685-W688 HydrophobicContact CB-CE3 4.39Å; P685-W688 HydrophobicContact CG-CE3 4.31Å; P685-W688 HydrophobicContact CG-CZ3 4.15Å; P685-W688 PolarHBondContact O-N 3.41Å; P685-F689 WeakPolarHBondContact O-CB 3.45Å; P685-F689 PolarHBondContact O-N 3.35Å
686Y96.2Very high92.4Very high20 Ų2044.8 Ų44.88%0.07825%0.245CC..Hα-helixtrans-66.7-40.4174.9171.3-110.8000111.1F655 S666 L669 G670 F674 I683 E684 F689 L690F655-Y686 HydrophobicContact CE1-CD2 4.11Å; F655-Y686 HydrophobicContact CZ-CD2 4.34Å; S666-Y686 PolarHBondContact O-OH 2.78Å; L669-Y686 HydrophobicContact CB-CE2 4.41Å; G670-Y686 WeakPolarHBondContact CA-OH 3.4Å; F674-Y686 HydrophobicContact CB-CD1 3.52Å; F674-Y686 HydrophobicContact CB-CD2 4.46Å; F674-Y686 HydrophobicContact CB-CE1 4Å; F674-Y686 HydrophobicContact CB-CG 3.78Å; F674-Y686 HydrophobicContact CD1-CG 4.24Å; F674-Y686 HydrophobicContact CD2-CD1 4.48Å; F674-Y686 AromaticContact CD2-CD2 3.94Å; F674-Y686 HydrophobicContact CD2-CD2 3.94Å; F674-Y686 HydrophobicContact CD2-CE2 4.5Å; F674-Y686 AromaticContact CD2-CG 3.94Å; F674-Y686 HydrophobicContact CD2-CG 3.94Å; F674-Y686 HydrophobicContact CE2-CD2 4.46Å; F674-Y686 HydrophobicContact CG-CD1 4.01Å; F674-Y686 HydrophobicContact CG-CD2 4.21Å; F674-Y686 AromaticContact CG-CG 3.72Å; F674-Y686 HydrophobicContact CG-CG 3.72Å; I683-Y686 WeakPolarHBondContact O-CB 3.42Å; I683-Y686 PolarHBondContact O-N 2.82Å; I683-Y686 VanDerWaalsContact O-N 3.1Å; E684-Y686 VanDerWaalsContact C-N 3.25Å; E684-Y686 PolarHBondContact O-N 3.02Å; Y686-F689 HydrophobicContact CD2-CD1 4.12Å; Y686-F689 HydrophobicContact CE2-CD1 4.28Å; Y686-F689 WeakPolarHBondContact O-CB 3.39Å; Y686-F689 PolarHBondContact O-N 3.1Å; Y686-L690 HydrophobicContact CD1-CD1 4.28Å; Y686-L690 HydrophobicContact CE1-CD1 3.63Å; Y686-L690 HydrophobicContact CE1-CG 4.23Å; Y686-L690 HydrophobicContact CE2-CD1 4.35Å; Y686-L690 HydrophobicContact CE2-CD2 4.09Å; Y686-L690 HydrophobicContact CE2-CG 4.09Å; Y686-L690 WeakPolarHBondContact O-CG 3.45Å; Y686-L690 PolarHBondContact O-N 3.15Å
687R94.4Very high92.5Very high122 Ų12242.9 Ų42.946%0.4621%0.214SC..Hα-helixtrans-64.8-41.6173.5-64.5177.6177.9166.2-1.5112.2I683 E684 F689 L690 A691I683-R687 PolarHBondContact O-N 3.38Å; E684-R687 CarbonylContact O-C 3.53Å; E684-R687 WeakPolarHBondContact O-CA 3.36Å; E684-R687 WeakPolarHBondContact O-CB 3.2Å; E684-R687 PolarHBondContact O-N 3.31Å; E684-R687 WeakPolarHBondContact OE1-CD 3.47Å; E684-R687 IonicContact OE1-CZ 3.31Å; E684-R687 IonicContact OE1-NE 3.42Å; E684-R687 IonicContact OE1-NH1 2.82Å; E684-R687 PolarHBondContact OE1-NH1 3.48Å; R687-F689 VanDerWaalsContact C-N 3.26Å; R687-F689 PolarHBondContact O-N 3.18Å; R687-L690 PolarHBondContact O-N 3.32Å; R687-A691 WeakPolarHBondContact O-CB 3.35Å; R687-A691 PolarHBondContact O-N 3Å
688W94.1Very high92.6Very high25 Ų2537.2 Ų37.210%0.09518%0.182CC..Hα-helixtrans-62.2-37.6175.1-54.9-15.9000111.1N131 R134 L135 F648 E684 P685 A691 F692N131-W688 WeakPolarHBondContact O-CB 3.13Å; N131-W688 VanDerWaalsContact O-CG 3.29Å; R134-W688 HydrophobicContact CB-CD2 4.04Å; R134-W688 HydrophobicContact CB-CE3 3.94Å; R134-W688 HydrophobicContact CB-CH2 4.46Å; R134-W688 HydrophobicContact CB-CZ3 4.15Å; L135-W688 VanDerWaalsContact CD1-C 3.42Å; L135-W688 HydrophobicContact CD1-CB 3.61Å; L135-W688 HydrophobicContact CD2-CB 4.38Å; L135-W688 HydrophobicContact CD2-CE3 3.92Å; L135-W688 HydrophobicContact CG-CB 3.65Å; L135-W688 HydrophobicContact CG-CE3 4.12Å; F648-W688 HydrophobicContact CE1-CH2 4.35Å; F648-W688 HydrophobicContact CE1-CZ3 4.09Å; F648-W688 AromaticContact CZ-CH2 3.76Å; F648-W688 HydrophobicContact CZ-CH2 3.76Å; F648-W688 AromaticContact CZ-CZ3 3.68Å; F648-W688 HydrophobicContact CZ-CZ3 3.68Å; E684-W688 HydrophobicContact CB-CZ2 3.77Å; E684-W688 PolarHBondContact O-N 3.4Å; E684-W688 PolarHBondContact O-NE1 3.18Å; E684-W688 PolarHBondContact OE2-NE1 3.13Å; P685-W688 HydrophobicContact CB-CE3 4.39Å; P685-W688 HydrophobicContact CG-CE3 4.31Å; P685-W688 HydrophobicContact CG-CZ3 4.15Å; P685-W688 PolarHBondContact O-N 3.41Å; W688-A691 PolarHBondContact O-N 2.9Å; W688-F692 WeakPolarHBondContact O-CB 3.3Å; W688-F692 PolarHBondContact O-N 3.5Å
689F93.4Very high92.4Very high1 Ų137.9 Ų37.90%0.00419%0.185CC..Hα-helixtrans-65.4-46.1174.7160.1-100.6000111.7L135 F655 C659 I662 Q663 P685 Y686 R687 A691 F692 M693L135-F689 HydrophobicContact CD1-CB 4.19Å; F655-F689 HydrophobicContact CB-CB 4.17Å; F655-F689 HydrophobicContact CB-CD2 4.4Å; F655-F689 HydrophobicContact CB-CG 4.49Å; F655-F689 HydrophobicContact CD1-CB 3.77Å; F655-F689 HydrophobicContact CD1-CD1 4.1Å; F655-F689 HydrophobicContact CD1-CD2 4.1Å; F655-F689 AromaticContact CD1-CG 3.7Å; F655-F689 HydrophobicContact CD1-CG 3.7Å; F655-F689 HydrophobicContact CE1-CB 4.4Å; F655-F689 HydrophobicContact CE1-CD1 4.31Å; F655-F689 HydrophobicContact CE1-CG 4.33Å; F655-F689 HydrophobicContact CG-CB 4.07Å; F655-F689 HydrophobicContact CG-CG 4.39Å; F655-F689 WeakPolarHBondContact O-CD2 3.5Å; C659-F689 HydrophobicContact CB-CD2 4.39Å; C659-F689 HydrophobicContact CB-CE2 3.9Å; I662-F689 HydrophobicContact CB-CE2 4.22Å; I662-F689 HydrophobicContact CB-CZ 3.95Å; I662-F689 HydrophobicContact CG2-CD1 4.41Å; I662-F689 HydrophobicContact CG2-CE1 3.74Å; I662-F689 HydrophobicContact CG2-CE2 4.07Å; I662-F689 HydrophobicContact CG2-CZ 3.54Å; Q663-F689 HydrophobicContact CB-CZ 4.16Å; P685-F689 WeakPolarHBondContact O-CB 3.45Å; P685-F689 PolarHBondContact O-N 3.35Å; Y686-F689 HydrophobicContact CD2-CD1 4.12Å; Y686-F689 HydrophobicContact CE2-CD1 4.28Å; Y686-F689 WeakPolarHBondContact O-CB 3.39Å; Y686-F689 PolarHBondContact O-N 3.1Å; R687-F689 VanDerWaalsContact C-N 3.26Å; R687-F689 PolarHBondContact O-N 3.18Å; F689-A691 VanDerWaalsContact C-N 3.3Å; F689-A691 PolarHBondContact O-N 3.4Å; F689-F692 WeakPolarHBondContact O-CA 3.35Å; F689-F692 WeakPolarHBondContact O-CB 3.46Å; F689-F692 PolarHBondContact O-N 3.11Å; F689-F692 VanDerWaalsContact O-N 3.09Å; F689-M693 HydrophobicContact CD2-CG 3.92Å; F689-M693 HydrophobicContact CE1-CG 4.5Å; F689-M693 HydrophobicContact CE2-CG 3.39Å; F689-M693 HydrophobicContact CE2-SD 4.14Å; F689-M693 HydrophobicContact CZ-CG 3.72Å; F689-M693 WeakPolarHBondContact O-CG 3.16Å; F689-M693 PolarHBondContact O-N 3.48Å
690L91.9Very high92.3Very high49 Ų4937.4 Ų37.426%0.25718%0.181SC..Hα-helixtrans-60.3-43.3174.5-68.9-179.5000111.2Y686 R687 F692 M693 N694Y686-L690 HydrophobicContact CD1-CD1 4.28Å; Y686-L690 HydrophobicContact CE1-CD1 3.63Å; Y686-L690 HydrophobicContact CE1-CG 4.23Å; Y686-L690 HydrophobicContact CE2-CD1 4.35Å; Y686-L690 HydrophobicContact CE2-CD2 4.09Å; Y686-L690 HydrophobicContact CE2-CG 4.09Å; Y686-L690 WeakPolarHBondContact O-CG 3.45Å; Y686-L690 PolarHBondContact O-N 3.15Å; R687-L690 PolarHBondContact O-N 3.32Å; L690-F692 VanDerWaalsContact C-N 3.28Å; L690-F692 PolarHBondContact O-N 2.93Å; L690-M693 PolarHBondContact O-N 2.98Å; L690-N694 WeakPolarHBondContact O-CB 3.11Å; L690-N694 VanDerWaalsContact O-CG 3.25Å; L690-N694 PolarHBondContact O-N 2.9Å; L690-N694 PolarHBondContact O-ND2 2.6Å; L690-N694 VanDerWaalsContact O-ND2 3.09Å
691A90.1Very high92.2Very high16 Ų1634 Ų3413%0.13215%0.154CC..Hα-helixtrans-60.4-40.8174.300000110.8N131 R207 R687 W688 F689 M693 N694N131-A691 HydrophobicContact CB-CB 3.88Å; R207-A691 PolarHBondContact NH1-O 3.27Å; R207-A691 PolarHBondContact NH2-O 2.83Å; R687-A691 WeakPolarHBondContact O-CB 3.35Å; R687-A691 PolarHBondContact O-N 3Å; W688-A691 PolarHBondContact O-N 2.9Å; F689-A691 VanDerWaalsContact C-N 3.3Å; F689-A691 PolarHBondContact O-N 3.4Å; A691-M693 VanDerWaalsContact C-N 3.35Å; A691-M693 PolarHBondContact O-N 3.46Å; A691-N694 VanDerWaalsContact O-OXT 3.1Å
692F88.9Confident92Very high7 Ų730.7 Ų30.73%0.03114%0.144CC..Hα-helixtrans-63.9-35.8177.8-179.8-106.2000113Y132 L135 I136 R207 P286 C659 W688 F689 L690Y132-F692 HydrophobicContact CD2-CD2 4.38Å; L135-F692 HydrophobicContact CD1-CB 4.43Å; I136-F692 HydrophobicContact CD1-CE2 4.49Å; I136-F692 HydrophobicContact CG2-CD2 4.03Å; I136-F692 HydrophobicContact CG2-CE2 3.63Å; I136-F692 HydrophobicContact CG2-CZ 4.33Å; R207-F692 HydrophobicContact CB-CD2 4.12Å; R207-F692 HydrophobicContact CB-CE2 3.63Å; R207-F692 WeakPolarHBondContact CD-O 3.18Å; R207-F692 HydrophobicContact CG-CE2 4.47Å; R207-F692 PolarHBondContact NE-O 3.16Å; R207-F692 PolarHBondContact NH1-O 2.98Å; R207-F692 PolarHBondContact NH2-O 3.25Å; P286-F692 HydrophobicContact CG-CE1 4.13Å; P286-F692 HydrophobicContact CG-CZ 3.65Å; C659-F692 HydrophobicContact CB-CD1 4.47Å; C659-F692 HydrophobicContact CB-CE1 4.21Å; W688-F692 WeakPolarHBondContact O-CB 3.3Å; W688-F692 PolarHBondContact O-N 3.5Å; F689-F692 WeakPolarHBondContact O-CA 3.35Å; F689-F692 WeakPolarHBondContact O-CB 3.46Å; F689-F692 PolarHBondContact O-N 3.11Å; F689-F692 VanDerWaalsContact O-N 3.09Å; L690-F692 VanDerWaalsContact C-N 3.28Å; L690-F692 PolarHBondContact O-N 2.93Å
693M85.7Confident91.7Very high6 Ų633.3 Ų33.33%0.0316%0.156CC..Hα-helixtrans-88.6-24.7-177.1-65-50.9-67.500114.7C659 Q663 F689 L690 A691C659-M693 HydrophobicContact CB-CE 4.47Å; C659-M693 HydrophobicContact CB-SD 3.66Å; Q663-M693 HydrophobicContact CB-CE 4.09Å; Q663-M693 VanDerWaalsContact CD-CE 3.4Å; Q663-M693 HydrophobicContact CG-CE 4.23Å; F689-M693 HydrophobicContact CD2-CG 3.92Å; F689-M693 HydrophobicContact CE1-CG 4.5Å; F689-M693 HydrophobicContact CE2-CG 3.39Å; F689-M693 HydrophobicContact CE2-SD 4.14Å; F689-M693 HydrophobicContact CZ-CG 3.72Å; F689-M693 WeakPolarHBondContact O-CG 3.16Å; F689-M693 PolarHBondContact O-N 3.48Å; L690-M693 PolarHBondContact O-N 2.98Å; A691-M693 VanDerWaalsContact C-N 3.35Å; A691-M693 PolarHBondContact O-N 3.46Å
694N80.2Confident91.3Very high95 Ų9535.4 Ų35.451%0.50817%0.165SC..  trans-94.30-179.2-67.4-33.9000111.6A84 I85 R207 L690 A691A84-N694 WeakPolarHBondContact CA-O 3.37Å; A84-N694 VanDerWaalsContact CB-O 3.28Å; A84-N694 WeakPolarHBondContact CB-O 3.03Å; A84-N694 PolarHBondContact N-O 3.44Å; I85-N694 PolarHBondContact N-O 3.37Å; R207-N694 PolarHBondContact NH2-OXT 3.47Å; L690-N694 WeakPolarHBondContact O-CB 3.11Å; L690-N694 VanDerWaalsContact O-CG 3.25Å; L690-N694 PolarHBondContact O-N 2.9Å; L690-N694 PolarHBondContact O-ND2 2.6Å; L690-N694 VanDerWaalsContact O-ND2 3.09Å; A691-N694 VanDerWaalsContact O-OXT 3.1Å

Retrieved 694 of 694 residues in 519.1 ms (Link to these results)

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