A0A077YYP0_TRITR Loading...

Protein vav 1

AlphaFold DB , UniProt , Accession A0A077YYP0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 884 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
1M34.9Very low67.3Low225 Ų22581.4 Ų81.4100%1.10842%0.419SS*.  0-6.40-79.3-164-88.100113.4
2S42.4Very low69.3Low99 Ų9974.8 Ų74.869%0.69239%0.386SS*.  trans-90.7-31.2175.949.20000114.5T4S2-T4 PolarHBondContact O-N 2.98Å
3E44.9Very low71Confident163 Ų16377.2 Ų77.276%0.76239%0.394SS*.G310 helixtrans-75.7-22.5-172.7-72.4169.5168.500114.4N5E3-N5 PolarHBondContact O-N 3.32Å; E3-N5 VanDerWaalsContact O-N 3.17Å
4T49.8Very low72.6Confident62 Ų6271.8 Ų71.838%0.3837%0.367SS..G310 helixtrans-71.2-12.6-17542.40000114.1S2 Y148S2-T4 PolarHBondContact O-N 2.98Å; T4-Y148 HydrophobicContact CG2-CD2 4.11Å; T4-Y148 HydrophobicContact CG2-CE2 3.89Å; T4-Y148 WeakPolarHBondContact O-CE2 3.37Å; T4-Y148 PolarHBondContact O-OH 3.37Å
5N55.6Low74Confident74 Ų7467 Ų6740%0.39634%0.342SS..G310 helixtrans-89.6-2.5-175.7-91.1-18.1000114.9E3 W8E3-N5 PolarHBondContact O-N 3.32Å; E3-N5 VanDerWaalsContact O-N 3.17Å; N5-W8 PolarHBondContact O-NE1 2.62Å
6D71.2Confident75Confident76 Ų7664.4 Ų64.441%0.40633%0.331SS..SBendtrans-102.6-21.6-166.8-73.8-19.6000115.6W8 K9 Q10D6-W8 PolarHBondContact O-N 3.31Å; D6-K9 CarbonylContact O-C 3.58Å; D6-K9 WeakPolarHBondContact O-CA 3.13Å; D6-K9 WeakPolarHBondContact O-CB 3.18Å; D6-K9 PolarHBondContact O-N 2.73Å; D6-K9 VanDerWaalsContact O-N 3.14Å; D6-Q10 WeakPolarHBondContact O-CG 3.15Å; D6-Q10 PolarHBondContact O-N 3.47Å
7F80.5Confident75.9Confident55 Ų5566.5 Ų66.524%0.24133%0.333CS..Hα-helixtrans-66.7-43.4-174.7-80.9-90.7000114.1K9 Q10 C11 P134 Y148F7-K9 PolarHBondContact O-N 3.23Å; F7-Q10 WeakPolarHBondContact O-CB 3.36Å; F7-Q10 PolarHBondContact O-N 2.91Å; F7-C11 PolarHBondContact O-N 3.39Å; F7-P134 HydrophobicContact CE1-CB 3.96Å; F7-P134 HydrophobicContact CE1-CG 4.01Å; F7-Y148 HydrophobicContact CB-CE1 3.53Å; F7-Y148 WeakPolarHBondContact CB-OH 3.49Å; F7-Y148 HydrophobicContact CD1-CE1 4.49Å; F7-Y148 HydrophobicContact CD2-CD1 4.03Å; F7-Y148 HydrophobicContact CD2-CD2 4.4Å; F7-Y148 AromaticContact CD2-CE1 3.5Å; F7-Y148 HydrophobicContact CD2-CE1 3.5Å; F7-Y148 VanDerWaalsContact CD2-CE1 3.5Å; F7-Y148 AromaticContact CD2-CE2 3.94Å; F7-Y148 HydrophobicContact CD2-CE2 3.94Å; F7-Y148 HydrophobicContact CD2-CG 4.44Å; F7-Y148 AromaticContact CD2-CZ 3.44Å; F7-Y148 VanDerWaalsContact CD2-CZ 3.44Å; F7-Y148 HydrophobicContact CE2-CD1 4.45Å; F7-Y148 HydrophobicContact CE2-CE1 4.33Å; F7-Y148 HydrophobicContact CG-CD1 4.25Å; F7-Y148 AromaticContact CG-CE1 3.59Å; F7-Y148 HydrophobicContact CG-CE1 3.59Å; F7-Y148 AromaticContact CG-CZ 3.89Å
8W88.1Confident76.7Confident9 Ų963.6 Ų63.63%0.03432%0.32CS..Hα-helixtrans-64.9-30.6175.575.3-94.2000111.2N5 D6 C11 A12 V27 A32 L34 F37 L113N5-W8 PolarHBondContact O-NE1 2.62Å; D6-W8 PolarHBondContact O-N 3.31Å; W8-C11 WeakPolarHBondContact O-CB 3.18Å; W8-C11 PolarHBondContact O-N 3.06Å; W8-A12 WeakPolarHBondContact O-CB 3.28Å; W8-A12 PolarHBondContact O-N 3.2Å; W8-V27 HydrophobicContact CZ3-CG1 4.09Å; W8-A32 HydrophobicContact CH2-CB 4.13Å; W8-L34 HydrophobicContact CB-CD1 3.86Å; W8-L34 HydrophobicContact CD2-CD1 4.28Å; W8-L34 HydrophobicContact CG-CD1 3.74Å; W8-F37 HydrophobicContact CB-CD1 4Å; W8-F37 HydrophobicContact CB-CE1 4.26Å; W8-F37 HydrophobicContact CD2-CD1 4.46Å; W8-F37 HydrophobicContact CE3-CB 3.59Å; W8-F37 AromaticContact CE3-CD1 3.81Å; W8-F37 HydrophobicContact CE3-CD1 3.81Å; W8-F37 AromaticContact CE3-CG 3.75Å; W8-F37 HydrophobicContact CE3-CG 3.75Å; W8-F37 HydrophobicContact CZ3-CB 3.75Å; W8-F37 HydrophobicContact CZ3-CG 4.23Å; W8-L113 HydrophobicContact CB-CD1 4.12Å; W8-L113 HydrophobicContact CB-CD2 4.25Å
9K88.8Confident77.1Confident78 Ų7862.4 Ų62.434%0.33933%0.325SS..Hα-helixtrans-69.2-39.7173.3-64.1-176.3177.31780111.8D6 F7 C11 A12 Q13D6-K9 CarbonylContact O-C 3.58Å; D6-K9 WeakPolarHBondContact O-CA 3.13Å; D6-K9 WeakPolarHBondContact O-CB 3.18Å; D6-K9 PolarHBondContact O-N 2.73Å; D6-K9 VanDerWaalsContact O-N 3.14Å; F7-K9 PolarHBondContact O-N 3.23Å; K9-C11 VanDerWaalsContact C-N 3.31Å; K9-A12 PolarHBondContact O-N 3.24Å; K9-Q13 WeakPolarHBondContact O-CB 3.47Å; K9-Q13 VanDerWaalsContact O-CG 3.26Å; K9-Q13 WeakPolarHBondContact O-CG 3.22Å; K9-Q13 PolarHBondContact O-N 2.87Å
10Q90.5Very high77.6Confident54 Ų5460.1 Ų60.125%0.25231%0.314SS..Hα-helixtrans-62.1-40.7171.7-70.217850.500111.1D6 F7 Q13 W14D6-Q10 WeakPolarHBondContact O-CG 3.15Å; D6-Q10 PolarHBondContact O-N 3.47Å; F7-Q10 WeakPolarHBondContact O-CB 3.36Å; F7-Q10 PolarHBondContact O-N 2.91Å; Q10-Q13 PolarHBondContact O-N 3.19Å; Q10-W14 WeakPolarHBondContact O-CB 3.38Å; Q10-W14 PolarHBondContact O-N 3.18Å
11C93.3Very high77.9Confident0 Ų057.6 Ų57.60%030%0.301CS..Hα-helixtrans-62.3-46.7173.5-171.50000111.7F7 W8 K9 Q13 W14 M15 F37 L113 F133F7-C11 PolarHBondContact O-N 3.39Å; W8-C11 WeakPolarHBondContact O-CB 3.18Å; W8-C11 PolarHBondContact O-N 3.06Å; K9-C11 VanDerWaalsContact C-N 3.31Å; C11-Q13 PolarHBondContact O-N 3.23Å; C11-W14 WeakPolarHBondContact O-CB 3.34Å; C11-W14 PolarHBondContact O-N 3.43Å; C11-W14 VanDerWaalsContact O-N 3.14Å; C11-M15 WeakPolarHBondContact O-CG 3.49Å; C11-M15 PolarHBondContact O-N 2.85Å; C11-F37 HydrophobicContact CB-CE1 4.28Å; C11-F37 HydrophobicContact CB-CZ 4.2Å; C11-L113 HydrophobicContact CB-CD2 3.98Å; C11-F133 HydrophobicContact CB-CD2 4.11Å; C11-F133 HydrophobicContact CB-CE1 4.29Å; C11-F133 HydrophobicContact CB-CE2 3.6Å; C11-F133 HydrophobicContact CB-CZ 3.7Å; C11-F133 WeakPolarHBondContact SG-CZ 3.4Å
12A91.8Very high80Confident2 Ų250.8 Ų50.82%0.01727%0.269CS..Hα-helixtrans-60.4-43.217600000111.9W8 K9 W14 M15 V16 V27 M28 F37W8-A12 WeakPolarHBondContact O-CB 3.28Å; W8-A12 PolarHBondContact O-N 3.2Å; K9-A12 PolarHBondContact O-N 3.24Å; A12-W14 VanDerWaalsContact C-N 3.33Å; A12-W14 PolarHBondContact O-N 3.25Å; A12-M15 PolarHBondContact O-N 2.95Å; A12-V16 WeakPolarHBondContact O-CG2 3.4Å; A12-V16 PolarHBondContact O-N 2.73Å; A12-V27 HydrophobicContact CB-CG1 3.89Å; A12-M28 HydrophobicContact CB-SD 4Å; A12-F37 HydrophobicContact CB-CD2 4.21Å; A12-F37 HydrophobicContact CB-CE2 3.88Å; A12-F37 HydrophobicContact CB-CZ 4.27Å
13Q91Very high81.8Confident107 Ų10755.9 Ų55.950%0.527%0.273SS..Hα-helixtrans-61.2-40.9173.3-74171.5300111.9K9 Q10 C11 V16 R17 M28K9-Q13 WeakPolarHBondContact O-CB 3.47Å; K9-Q13 VanDerWaalsContact O-CG 3.26Å; K9-Q13 WeakPolarHBondContact O-CG 3.22Å; K9-Q13 PolarHBondContact O-N 2.87Å; Q10-Q13 PolarHBondContact O-N 3.19Å; C11-Q13 PolarHBondContact O-N 3.23Å; Q13-V16 WeakPolarHBondContact O-CB 3.34Å; Q13-V16 PolarHBondContact O-N 2.76Å; Q13-R17 WeakPolarHBondContact O-CG 3.39Å; Q13-R17 PolarHBondContact O-N 3.34Å; Q13-M28 HydrophobicContact CG-CE 3.89Å
14W93.8Very high83.4Confident1 Ų155 Ų550%0.00427%0.274CS..Hα-helixtrans-61.4-43.6174.3173.571.1000111.9Q10 C11 A12 V16 R17 C18 L50 L54 L116 L119 S120 S131 F133Q10-W14 WeakPolarHBondContact O-CB 3.38Å; Q10-W14 PolarHBondContact O-N 3.18Å; C11-W14 WeakPolarHBondContact O-CB 3.34Å; C11-W14 PolarHBondContact O-N 3.43Å; C11-W14 VanDerWaalsContact O-N 3.14Å; A12-W14 VanDerWaalsContact C-N 3.33Å; A12-W14 PolarHBondContact O-N 3.25Å; W14-V16 VanDerWaalsContact C-N 3.29Å; W14-V16 PolarHBondContact O-N 2.9Å; W14-R17 CarbonylContact O-C 3.52Å; W14-R17 WeakPolarHBondContact O-CA 3.42Å; W14-R17 WeakPolarHBondContact O-CB 3.08Å; W14-R17 PolarHBondContact O-N 3.46Å; W14-C18 PolarHBondContact O-N 2.85Å; W14-C18 PolarHBondContact O-SG 2.95Å; W14-C18 VanDerWaalsContact O-SG 3.36Å; W14-L50 HydrophobicContact CH2-CD1 3.85Å; W14-L50 HydrophobicContact CH2-CD2 3.75Å; W14-L50 HydrophobicContact CH2-CG 4.21Å; W14-L50 HydrophobicContact CZ2-CD1 4.35Å; W14-L50 HydrophobicContact CZ3-CD1 4.04Å; W14-L50 HydrophobicContact CZ3-CD2 3.59Å; W14-L50 HydrophobicContact CZ3-CG 4.39Å; W14-L54 HydrophobicContact CH2-CD1 4.07Å; W14-L54 HydrophobicContact CZ2-CD1 4.03Å; W14-L54 HydrophobicContact CZ2-CD2 4.18Å; W14-L116 HydrophobicContact CZ3-CD2 4.42Å; W14-L119 HydrophobicContact CH2-CD2 4.39Å; W14-S120 VanDerWaalsContact CE2-CB 3.43Å; W14-S131 PolarHBondContact NE1-O 2.85Å; W14-F133 HydrophobicContact CB-CB 4.21Å; W14-F133 HydrophobicContact CB-CD1 3.9Å; W14-F133 HydrophobicContact CB-CG 4.28Å; W14-F133 AromaticContact CD2-CD1 3.64Å; W14-F133 HydrophobicContact CD2-CD1 3.64Å; W14-F133 AromaticContact CD2-CE1 3.97Å; W14-F133 HydrophobicContact CD2-CE1 3.97Å; W14-F133 AromaticContact CE3-CD1 3.7Å; W14-F133 HydrophobicContact CE3-CD1 3.7Å; W14-F133 AromaticContact CE3-CE1 3.53Å; W14-F133 HydrophobicContact CE3-CE1 3.53Å; W14-F133 AromaticContact CG-CD1 3.73Å; W14-F133 HydrophobicContact CG-CD1 3.73Å; W14-F133 HydrophobicContact CG-CE1 4.48Å; W14-F133 HydrophobicContact CG-CG 4.49Å; W14-F133 HydrophobicContact CZ3-CD1 4.42Å; W14-F133 AromaticContact CZ3-CE1 3.91Å; W14-F133 HydrophobicContact CZ3-CE1 3.91Å
15M93Very high84.9Confident0 Ų053.2 Ų53.20%026%0.261CS..Hα-helixtrans-63.1-32.4174.8-68.4-175.375.300113.3C11 A12 C18 G19 V20 L21 F37 L41 L46C11-M15 WeakPolarHBondContact O-CG 3.49Å; C11-M15 PolarHBondContact O-N 2.85Å; A12-M15 PolarHBondContact O-N 2.95Å; M15-C18 PolarHBondContact O-N 3.5Å; M15-G19 PolarHBondContact O-N 3.05Å; M15-V20 HydrophobicContact CE-CB 4.38Å; M15-V20 HydrophobicContact CE-CG1 3.82Å; M15-V20 PolarHBondContact O-N 2.82Å; M15-L21 HydrophobicContact CB-CD1 3.86Å; M15-L21 HydrophobicContact CB-CG 4.12Å; M15-L21 PolarHBondContact O-N 3.32Å; M15-L21 HydrophobicContact SD-CD1 4.35Å; M15-F37 HydrophobicContact SD-CE2 3.96Å; M15-F37 HydrophobicContact SD-CZ 4.04Å; M15-L41 HydrophobicContact CE-CD2 3.69Å; M15-L41 HydrophobicContact SD-CD2 3.86Å; M15-L46 HydrophobicContact CE-CB 4.13Å
16V90.6Very high86.2Confident26 Ų2653.5 Ų53.516%0.15826%0.256CS..Hα-helixtrans-66.3-43.1169.9172.60000110.9A12 Q13 W14 C18 G19 L21 R23 M28A12-V16 WeakPolarHBondContact O-CG2 3.4Å; A12-V16 PolarHBondContact O-N 2.73Å; Q13-V16 WeakPolarHBondContact O-CB 3.34Å; Q13-V16 PolarHBondContact O-N 2.76Å; W14-V16 VanDerWaalsContact C-N 3.29Å; W14-V16 PolarHBondContact O-N 2.9Å; V16-C18 VanDerWaalsContact C-N 3.27Å; V16-C18 PolarHBondContact O-N 2.96Å; V16-G19 PolarHBondContact O-N 2.97Å; V16-L21 HydrophobicContact CG2-CB 3.7Å; V16-R23 HydrophobicContact CG1-CG 3.72Å; V16-M28 HydrophobicContact CG2-CE 4.11Å; V16-M28 HydrophobicContact CG2-CG 3.93Å; V16-M28 HydrophobicContact CG2-SD 3.67Å
17R90.9Very high86.9Confident100 Ų10050.1 Ų50.138%0.37724%0.238SC..Hα-helixtrans-62.1-34.7175.4-66.8-171.4-63.1-164.71.3112.3Q13 W14 G19 V130 S131 G132 E135Q13-R17 WeakPolarHBondContact O-CG 3.39Å; Q13-R17 PolarHBondContact O-N 3.34Å; W14-R17 CarbonylContact O-C 3.52Å; W14-R17 WeakPolarHBondContact O-CA 3.42Å; W14-R17 WeakPolarHBondContact O-CB 3.08Å; W14-R17 PolarHBondContact O-N 3.46Å; R17-G19 PolarHBondContact O-N 3.23Å; R17-V130 HydrophobicContact CB-CG1 3.79Å; R17-S131 PolarHBondContact NH1-OG 2.84Å; R17-S131 VanDerWaalsContact NH1-OG 3.1Å; R17-S131 PolarHBondContact NH2-O 3.03Å; R17-G132 PolarHBondContact NH2-O 3.02Å; R17-E135 IonicContact CZ-OE1 3.8Å; R17-E135 IonicContact NH1-OE1 2.59Å; R17-E135 PolarHBondContact NH1-OE1 2.74Å; R17-E135 IonicContact NH2-OE1 2.75Å
18C89.7Confident87.2Confident14 Ų1450.3 Ų50.310%0.09524%0.241CC..THydrogen-bonded Turntrans-72.5-9.2173.1-65.20000114W14 M15 V16 V20 L50W14-C18 PolarHBondContact O-N 2.85Å; W14-C18 PolarHBondContact O-SG 2.95Å; W14-C18 VanDerWaalsContact O-SG 3.36Å; M15-C18 PolarHBondContact O-N 3.5Å; V16-C18 VanDerWaalsContact C-N 3.27Å; V16-C18 PolarHBondContact O-N 2.96Å; C18-V20 HydrophobicContact CB-CG2 4.07Å; C18-L50 HydrophobicContact CB-CD1 3.87Å
19G84.9Confident87Confident40 Ų4052.5 Ų52.541%0.41226%0.257SS..THydrogen-bonded Turntrans72.328.3-177.800000114M15 V16 R17 R53M15-G19 PolarHBondContact O-N 3.05Å; V16-G19 PolarHBondContact O-N 2.97Å; R17-G19 PolarHBondContact O-N 3.23Å; G19-R53 PolarHBondContact O-NE 3.49Å
20V85.9Confident86.7Confident16 Ų1655 Ų5510%0.09728%0.282CS..SBendtrans-94.2-40.9175.3-178.10000110.8M15 C18 L46 Q49 L50 R53M15-V20 HydrophobicContact CE-CB 4.38Å; M15-V20 HydrophobicContact CE-CG1 3.82Å; M15-V20 PolarHBondContact O-N 2.82Å; C18-V20 HydrophobicContact CB-CG2 4.07Å; V20-L46 HydrophobicContact CG1-CB 4.2Å; V20-L46 HydrophobicContact CG1-CD2 4.13Å; V20-Q49 HydrophobicContact CG1-CB 4.31Å; V20-L50 HydrophobicContact CG1-CB 4.49Å; V20-L50 HydrophobicContact CG2-CB 3.88Å; V20-L50 HydrophobicContact CG2-CD1 3.82Å; V20-L50 HydrophobicContact CG2-CG 4.49Å; V20-R53 HydrophobicContact CG2-CB 4.23Å; V20-R53 HydrophobicContact CG2-CG 3.83Å
21L84.9Confident86.5Confident8 Ų863.3 Ų63.34%0.04231%0.311CS..SBendtrans-104.2136.9175.3-72176.9000110.6M15 V16 L46M15-L21 HydrophobicContact CB-CD1 3.86Å; M15-L21 HydrophobicContact CB-CG 4.12Å; M15-L21 PolarHBondContact O-N 3.32Å; M15-L21 HydrophobicContact SD-CD1 4.35Å; V16-L21 HydrophobicContact CG2-CB 3.7Å; L21-L46 HydrophobicContact CD2-CD1 3.61Å
22D78Confident86.1Confident82 Ų8263.8 Ų63.844%0.43932%0.315SS..  trans-69.6149.7169.8-167.9-87.6000110.8N24 H25D22-N24 PolarHBondContact O-N 2.93Å; D22-N24 WeakPolarHBondContact OD1-CA 3.4Å; D22-N24 VanDerWaalsContact OD1-CB 3.26Å; D22-N24 WeakPolarHBondContact OD1-CB 3.27Å; D22-N24 PolarHBondContact OD1-N 3.08Å; D22-N24 PolarHBondContact OD1-ND2 2.87Å; D22-N24 VanDerWaalsContact OD1-ND2 3.11Å; D22-H25 HydrophobicContact CB-CB 4.44Å; D22-H25 WeakPolarHBondContact O-CB 3.4Å; D22-H25 PolarHBondContact O-N 2.86Å
23R80.4Confident85.8Confident206 Ų20669.8 Ų69.878%0.77734%0.342SS*.THydrogen-bonded Turntrans-63-26.4177.3-69.6-176.7177.5-161.7-0.3112.9V16V16-R23 HydrophobicContact CG1-CG 3.72Å
24N79.5Confident85.6Confident146 Ų14665.3 Ų65.378%0.78132%0.322SS*.THydrogen-bonded Turntrans-92.84.3177.3-53-54.6000112.5D22D22-N24 PolarHBondContact O-N 2.93Å; D22-N24 WeakPolarHBondContact OD1-CA 3.4Å; D22-N24 VanDerWaalsContact OD1-CB 3.26Å; D22-N24 WeakPolarHBondContact OD1-CB 3.27Å; D22-N24 PolarHBondContact OD1-N 3.08Å; D22-N24 PolarHBondContact OD1-ND2 2.87Å; D22-N24 VanDerWaalsContact OD1-ND2 3.11Å
25H81Confident85.2Confident23 Ų2365.8 Ų65.811%0.10633%0.325CS..SBendtrans-60.7143.4179-170.7-94000110.8D22 V27 M28D22-H25 HydrophobicContact CB-CB 4.44Å; D22-H25 WeakPolarHBondContact O-CB 3.4Å; D22-H25 PolarHBondContact O-N 2.86Å; H25-V27 VanDerWaalsContact CE1-CG2 3.49Å; H25-V27 WeakPolarHBondContact CE1-CG2 3.44Å; H25-V27 WeakPolarHBondContact ND1-CB 3.13Å; H25-V27 WeakPolarHBondContact ND1-CG2 3.25Å; H25-V27 PolarHBondContact ND1-N 2.89Å; H25-V27 PolarHBondContact O-N 3.36Å; H25-M28 WeakPolarHBondContact O-CA 3.47Å; H25-M28 WeakPolarHBondContact O-CB 3.43Å; H25-M28 PolarHBondContact O-N 3.44Å
26R83Confident84.9Confident80 Ų8067.6 Ų67.630%0.30233%0.334SS..G310 helixtrans-54.3-33.2-174.172.1-178.5-169-171.50.3114.2M28 S29 D167R26-M28 PolarHBondContact O-N 3.16Å; R26-S29 WeakPolarHBondContact O-CB 3.39Å; R26-S29 PolarHBondContact O-N 2.88Å; R26-D167 IonicContact CZ-OD2 3.37Å; R26-D167 IonicContact NH1-OD2 3.67Å; R26-D167 PolarHBondContact NH1-OD2 3.48Å; R26-D167 IonicContact NH2-OD2 3.03Å
27V85.4Confident84.8Confident5 Ų566.4 Ų66.43%0.0333%0.327CS..G310 helixtrans-62.5-25.9177.3170.40000112W8 A12 H25 S29 A32 F37 A40W8-V27 HydrophobicContact CZ3-CG1 4.09Å; A12-V27 HydrophobicContact CB-CG1 3.89Å; H25-V27 VanDerWaalsContact CE1-CG2 3.49Å; H25-V27 WeakPolarHBondContact CE1-CG2 3.44Å; H25-V27 WeakPolarHBondContact ND1-CB 3.13Å; H25-V27 WeakPolarHBondContact ND1-CG2 3.25Å; H25-V27 PolarHBondContact ND1-N 2.89Å; H25-V27 PolarHBondContact O-N 3.36Å; V27-S29 VanDerWaalsContact C-N 3.3Å; V27-A32 WeakPolarHBondContact O-CB 3.47Å; V27-F37 HydrophobicContact CG1-CB 4.02Å; V27-F37 HydrophobicContact CG1-CD2 3.48Å; V27-F37 VanDerWaalsContact CG1-CD2 3.48Å; V27-F37 HydrophobicContact CG1-CE2 4.3Å; V27-F37 HydrophobicContact CG1-CG 4.11Å; V27-F37 HydrophobicContact CG2-CD2 4.44Å; V27-A40 HydrophobicContact CG2-CB 3.92Å
28M86.4Confident84.8Confident59 Ų5961.8 Ų61.829%0.29131%0.31SS..G310 helixtrans-85.3-3.9177.2-58-52.7-6000112.8A12 Q13 V16 H25 R26A12-M28 HydrophobicContact CB-SD 4Å; Q13-M28 HydrophobicContact CG-CE 3.89Å; V16-M28 HydrophobicContact CG2-CE 4.11Å; V16-M28 HydrophobicContact CG2-CG 3.93Å; V16-M28 HydrophobicContact CG2-SD 3.67Å; H25-M28 WeakPolarHBondContact O-CA 3.47Å; H25-M28 WeakPolarHBondContact O-CB 3.43Å; H25-M28 PolarHBondContact O-N 3.44Å; R26-M28 PolarHBondContact O-N 3.16Å
29S85.2Confident84.6Confident55 Ų5562 Ų6239%0.38531%0.31SS..SBendtrans-61.2139.9174.8178.50000110.6R26 V27 R31 A32R26-S29 WeakPolarHBondContact O-CB 3.39Å; R26-S29 PolarHBondContact O-N 2.88Å; V27-S29 VanDerWaalsContact C-N 3.3Å; S29-R31 PolarHBondContact O-N 2.98Å; S29-R31 PolarHBondContact OG-N 3.48Å; S29-A32 WeakPolarHBondContact O-CB 3.14Å; S29-A32 PolarHBondContact O-N 2.74Å
30P82.3Confident84.7Confident132 Ų13260.1 Ų60.186%0.85729%0.29SS*.THydrogen-bonded Turntrans-57.5-20.4171.6-24.533.8000113.9
31R84.8Confident84.9Confident227 Ų22759.3 Ų59.386%0.85729%0.286SS*.THydrogen-bonded Turntrans-92-2.6176.9-63.5-176178.9164.50.1113.8S29S29-R31 PolarHBondContact O-N 2.98Å; S29-R31 PolarHBondContact OG-N 3.48Å
32A84.9Confident85.2Confident10 Ų1059.9 Ų59.98%0.08329%0.287CS..  trans-67135.5-178.700000110.9W8 V27 S29 D36W8-A32 HydrophobicContact CH2-CB 4.13Å; V27-A32 WeakPolarHBondContact O-CB 3.47Å; S29-A32 WeakPolarHBondContact O-CB 3.14Å; S29-A32 PolarHBondContact O-N 2.74Å; A32-D36 WeakPolarHBondContact CA-OD2 3.2Å
33E86.1Confident85.7Confident128 Ų12856.1 Ų56.160%0.59827%0.267SS*.  trans-101.6164175.3-61.8-173.616000110.5L35 D36 F37E33-L35 PolarHBondContact O-N 3.5Å; E33-L35 VanDerWaalsContact O-N 3.09Å; E33-D36 PolarHBondContact N-OD2 3.2Å; E33-D36 WeakPolarHBondContact O-CB 3.34Å; E33-D36 PolarHBondContact O-N 2.91Å; E33-F37 PolarHBondContact O-N 3.2Å
34L86.7Confident86.2Confident14 Ų1446.3 Ų46.37%0.07323%0.23CC..Hα-helixtrans-52.5-33.7175173.663.7000112.2W8 F37 A38 F109 I153 Y154 L157W8-L34 HydrophobicContact CB-CD1 3.86Å; W8-L34 HydrophobicContact CD2-CD1 4.28Å; W8-L34 HydrophobicContact CG-CD1 3.74Å; L34-F37 PolarHBondContact O-N 3Å; L34-A38 WeakPolarHBondContact O-CB 3.03Å; L34-A38 PolarHBondContact O-N 3.4Å; L34-F109 HydrophobicContact CD1-CD1 3.93Å; L34-F109 HydrophobicContact CD1-CE1 3.66Å; L34-I153 HydrophobicContact CD2-CD1 4.42Å; L34-I153 HydrophobicContact CD2-CG1 4.07Å; L34-Y154 HydrophobicContact CD1-CD1 4.45Å; L34-Y154 HydrophobicContact CD1-CE1 3.88Å; L34-Y154 HydrophobicContact CD2-CD1 3.57Å; L34-Y154 HydrophobicContact CD2-CE1 3.56Å; L34-Y154 HydrophobicContact CG-CE1 4.37Å; L34-L157 HydrophobicContact CD2-CD2 4.14Å; L34-L157 HydrophobicContact CG-CD1 4.33Å; L34-L157 HydrophobicContact CG-CD2 4.13Å
35L85.5Confident86.7Confident11 Ų1139.4 Ų39.46%0.05819%0.193CC..Hα-helixtrans-63.2-39.7177.2-179.960.9000112.8E33 F37 A38 Q39 L157 T160 A161 K164E33-L35 PolarHBondContact O-N 3.5Å; E33-L35 VanDerWaalsContact O-N 3.09Å; L35-F37 VanDerWaalsContact C-N 3.27Å; L35-F37 PolarHBondContact O-N 3.47Å; L35-A38 PolarHBondContact O-N 2.94Å; L35-Q39 HydrophobicContact CD1-CG 4.15Å; L35-Q39 HydrophobicContact CG-CG 4.44Å; L35-Q39 WeakPolarHBondContact O-CB 3.2Å; L35-Q39 VanDerWaalsContact O-CG 3.26Å; L35-Q39 WeakPolarHBondContact O-CG 3.05Å; L35-Q39 PolarHBondContact O-N 3.2Å; L35-L157 HydrophobicContact CB-CD1 4.02Å; L35-L157 HydrophobicContact CD1-CD1 3.8Å; L35-T160 HydrophobicContact CD2-CG2 3.5Å; L35-T160 VanDerWaalsContact CD2-CG2 3.5Å; L35-A161 HydrophobicContact CD1-CB 4.09Å; L35-K164 HydrophobicContact CD2-CD 3.78Å; L35-K164 VanDerWaalsContact CD2-CE 3.49Å; L35-K164 VanDerWaalsContact CD2-NZ 3.31Å; L35-K164 HydrophobicContact CG-CD 4.42Å
36D86.4Confident87.2Confident38 Ų3838.6 Ų38.620%0.20319%0.189CC..Hα-helixtrans-64-38.1178.3-58.3-48.9000110.8A32 E33 A40A32-D36 WeakPolarHBondContact CA-OD2 3.2Å; E33-D36 PolarHBondContact N-OD2 3.2Å; E33-D36 WeakPolarHBondContact O-CB 3.34Å; E33-D36 PolarHBondContact O-N 2.91Å; D36-A40 WeakPolarHBondContact O-CB 3.42Å; D36-A40 PolarHBondContact O-N 2.81Å; D36-A40 VanDerWaalsContact O-N 3.13Å
37F89.4Confident87.7Confident0 Ų034.8 Ų34.80%018%0.175CC..Hα-helixtrans-70.6-43.2175.1-174-127.9000112.3W8 C11 A12 M15 V27 E33 L34 L35 Q39 A40 L41 F109 L113W8-F37 HydrophobicContact CB-CD1 4Å; W8-F37 HydrophobicContact CB-CE1 4.26Å; W8-F37 HydrophobicContact CD2-CD1 4.46Å; W8-F37 HydrophobicContact CE3-CB 3.59Å; W8-F37 AromaticContact CE3-CD1 3.81Å; W8-F37 HydrophobicContact CE3-CD1 3.81Å; W8-F37 AromaticContact CE3-CG 3.75Å; W8-F37 HydrophobicContact CE3-CG 3.75Å; W8-F37 HydrophobicContact CZ3-CB 3.75Å; W8-F37 HydrophobicContact CZ3-CG 4.23Å; C11-F37 HydrophobicContact CB-CE1 4.28Å; C11-F37 HydrophobicContact CB-CZ 4.2Å; A12-F37 HydrophobicContact CB-CD2 4.21Å; A12-F37 HydrophobicContact CB-CE2 3.88Å; A12-F37 HydrophobicContact CB-CZ 4.27Å; M15-F37 HydrophobicContact SD-CE2 3.96Å; M15-F37 HydrophobicContact SD-CZ 4.04Å; V27-F37 HydrophobicContact CG1-CB 4.02Å; V27-F37 HydrophobicContact CG1-CD2 3.48Å; V27-F37 VanDerWaalsContact CG1-CD2 3.48Å; V27-F37 HydrophobicContact CG1-CE2 4.3Å; V27-F37 HydrophobicContact CG1-CG 4.11Å; V27-F37 HydrophobicContact CG2-CD2 4.44Å; E33-F37 PolarHBondContact O-N 3.2Å; L34-F37 PolarHBondContact O-N 3Å; L35-F37 VanDerWaalsContact C-N 3.27Å; L35-F37 PolarHBondContact O-N 3.47Å; F37-Q39 VanDerWaalsContact C-N 3.34Å; F37-Q39 PolarHBondContact O-N 3.14Å; F37-A40 WeakPolarHBondContact O-CB 3.24Å; F37-A40 PolarHBondContact O-N 3.28Å; F37-A40 VanDerWaalsContact O-N 3.08Å; F37-L41 HydrophobicContact CD1-CD1 4.45Å; F37-L41 HydrophobicContact CE1-CD1 3.88Å; F37-L41 HydrophobicContact CE2-CD1 4.03Å; F37-L41 HydrophobicContact CE2-CD2 4.39Å; F37-L41 HydrophobicContact CE2-CG 4.24Å; F37-L41 HydrophobicContact CZ-CD1 3.67Å; F37-L41 HydrophobicContact CZ-CG 4.38Å; F37-L41 PolarHBondContact O-N 2.8Å; F37-F109 HydrophobicContact CD1-CE1 4.02Å; F37-F109 AromaticContact CD1-CZ 3.8Å; F37-F109 HydrophobicContact CD1-CZ 3.8Å; F37-F109 HydrophobicContact CE1-CE1 4.36Å; F37-F109 HydrophobicContact CE1-CZ 4.13Å; F37-L113 HydrophobicContact CE1-CD2 4Å
38A89.6Confident88.1Confident4 Ų434.5 Ų34.53%0.03317%0.174CC..Hα-helixtrans-61.8-44.3176.900000111.5L34 L35 A40 L41 R42 F109 L157L34-A38 WeakPolarHBondContact O-CB 3.03Å; L34-A38 PolarHBondContact O-N 3.4Å; L35-A38 PolarHBondContact O-N 2.94Å; A38-A40 PolarHBondContact O-N 3.22Å; A38-L41 PolarHBondContact O-N 2.75Å; A38-R42 VanDerWaalsContact O-CB 3.26Å; A38-R42 WeakPolarHBondContact O-CB 3.36Å; A38-R42 PolarHBondContact O-N 3.12Å; A38-F109 VanDerWaalsContact CA-CE2 3.5Å; A38-F109 HydrophobicContact CB-CD2 3.94Å; A38-F109 HydrophobicContact CB-CE2 3.58Å; A38-F109 HydrophobicContact CB-CZ 3.92Å; A38-L157 HydrophobicContact CB-CD1 4.08Å; A38-L157 HydrophobicContact CB-CD2 3.75Å; A38-L157 HydrophobicContact CB-CG 4.32Å
39Q85.9Confident88.3Confident18 Ų1834.3 Ų34.38%0.08417%0.172CC..Hα-helixtrans-59.1-34.7173.2-75.1-177.5-4700112.2L35 F37 L41 E165L35-Q39 HydrophobicContact CD1-CG 4.15Å; L35-Q39 HydrophobicContact CG-CG 4.44Å; L35-Q39 WeakPolarHBondContact O-CB 3.2Å; L35-Q39 VanDerWaalsContact O-CG 3.26Å; L35-Q39 WeakPolarHBondContact O-CG 3.05Å; L35-Q39 PolarHBondContact O-N 3.2Å; F37-Q39 VanDerWaalsContact C-N 3.34Å; F37-Q39 PolarHBondContact O-N 3.14Å; Q39-L41 VanDerWaalsContact C-N 3.32Å; Q39-L41 PolarHBondContact O-N 3.28Å; Q39-E165 PolarHBondContact NE2-O 3.21Å
40A87.2Confident88.6Confident0 Ų031.7 Ų31.70%015%0.153CC..Hα-helixtrans-67.4-30.9178.500000114.2V27 D36 F37 A38 L46 L170V27-A40 HydrophobicContact CG2-CB 3.92Å; D36-A40 WeakPolarHBondContact O-CB 3.42Å; D36-A40 PolarHBondContact O-N 2.81Å; D36-A40 VanDerWaalsContact O-N 3.13Å; F37-A40 WeakPolarHBondContact O-CB 3.24Å; F37-A40 PolarHBondContact O-N 3.28Å; F37-A40 VanDerWaalsContact O-N 3.08Å; A38-A40 PolarHBondContact O-N 3.22Å; A40-L46 HydrophobicContact CB-CD1 4.17Å; A40-L46 WeakPolarHBondContact O-CD1 3.34Å; A40-L170 HydrophobicContact CB-CD2 3.49Å; A40-L170 VanDerWaalsContact CB-CD2 3.49Å
41L91.2Very high89.1Confident0 Ų025.4 Ų25.40%011%0.113CC..Hα-helixtrans-96.7-15.9-178.8-58-176.2000113.4M15 F37 A38 Q39 D43 G44 L46 L47 F109 L112 L116M15-L41 HydrophobicContact CE-CD2 3.69Å; M15-L41 HydrophobicContact SD-CD2 3.86Å; F37-L41 HydrophobicContact CD1-CD1 4.45Å; F37-L41 HydrophobicContact CE1-CD1 3.88Å; F37-L41 HydrophobicContact CE2-CD1 4.03Å; F37-L41 HydrophobicContact CE2-CD2 4.39Å; F37-L41 HydrophobicContact CE2-CG 4.24Å; F37-L41 HydrophobicContact CZ-CD1 3.67Å; F37-L41 HydrophobicContact CZ-CG 4.38Å; F37-L41 PolarHBondContact O-N 2.8Å; A38-L41 PolarHBondContact O-N 2.75Å; Q39-L41 VanDerWaalsContact C-N 3.32Å; Q39-L41 PolarHBondContact O-N 3.28Å; L41-D43 PolarHBondContact O-N 2.95Å; L41-D43 VanDerWaalsContact O-N 3.09Å; L41-G44 PolarHBondContact O-N 2.83Å; L41-G44 VanDerWaalsContact O-N 3.1Å; L41-L46 HydrophobicContact CD2-CB 4.18Å; L41-L46 HydrophobicContact CD2-CD1 4.37Å; L41-L47 HydrophobicContact CB-CG 4.49Å; L41-L47 HydrophobicContact CD1-CD2 4.41Å; L41-L47 HydrophobicContact CD2-CD2 4.06Å; L41-L47 HydrophobicContact CD2-CG 4.42Å; L41-F109 HydrophobicContact CD1-CE2 4.46Å; L41-F109 HydrophobicContact CD1-CZ 4.17Å; L41-L112 HydrophobicContact CD1-CD2 4.21Å; L41-L116 HydrophobicContact CD1-CD1 4.22Å
42R89.7Confident89.3Confident19 Ų1915.8 Ų15.87%0.0728%0.078CC..THydrogen-bonded Turntrans-59.8-24.6-166.3177.1177-179.4-160.52.9114.5A38 Y104 A161 K164 L166A38-R42 VanDerWaalsContact O-CB 3.26Å; A38-R42 WeakPolarHBondContact O-CB 3.36Å; A38-R42 PolarHBondContact O-N 3.12Å; R42-Y104 WeakPolarHBondContact CD-O 3.38Å; R42-Y104 HydrophobicContact CG-CD2 4.17Å; R42-Y104 VanDerWaalsContact CG-O 3.26Å; R42-Y104 WeakPolarHBondContact CG-O 3.38Å; R42-Y104 PolarHBondContact NE-O 3.04Å; R42-A161 PolarHBondContact NH1-O 3.43Å; R42-K164 PolarHBondContact NH1-O 2.7Å; R42-L166 HydrophobicContact CB-CD2 3.74Å; R42-L166 HydrophobicContact CG-CD2 3.77Å; R42-L166 HydrophobicContact CG-CG 4.49Å
43D88.8Confident89.5Confident3 Ų321.8 Ų21.82%0.01610%0.099CC..THydrogen-bonded Turntrans-99.7-0.8-177.7763.5000114.9L41 V45 P68 C75 N78 L166 Y171L41-D43 PolarHBondContact O-N 2.95Å; L41-D43 VanDerWaalsContact O-N 3.09Å; D43-V45 VanDerWaalsContact C-N 3.3Å; D43-V45 PolarHBondContact O-N 3.01Å; D43-V45 PolarHBondContact OD1-N 2.85Å; D43-P68 HydrophobicContact CB-CG 3.54Å; D43-C75 HydrophobicContact CB-CB 4.46Å; D43-N78 VanDerWaalsContact O-CB 3.31Å; D43-N78 WeakPolarHBondContact O-CB 3.25Å; D43-N78 PolarHBondContact O-ND2 2.93Å; D43-N78 VanDerWaalsContact O-ND2 3.07Å; D43-L166 HydrophobicContact CB-CD1 4.15Å; D43-L166 HydrophobicContact CB-CD2 4.27Å; D43-Y171 PolarHBondContact OD1-OH 2.97Å; D43-Y171 WeakPolarHBondContact OD2-CE2 3.13Å; D43-Y171 VanDerWaalsContact OD2-CZ 3.29Å; D43-Y171 PolarHBondContact OD2-OH 2.82Å
44G92.1Very high89.7Confident0 Ų016 Ų160%07%0.072CC..SBendtrans78-7.8177.200000116.6L41 L47 C48L41-G44 PolarHBondContact O-N 2.83Å; L41-G44 VanDerWaalsContact O-N 3.1Å; G44-L47 WeakPolarHBondContact O-CB 3.37Å; G44-L47 PolarHBondContact O-N 2.86Å; G44-C48 PolarHBondContact O-N 2.87Å; G44-C48 PolarHBondContact O-SG 3.14Å; G44-C48 VanDerWaalsContact O-SG 3.42Å
45V89.9Confident89.7Confident1 Ų118.1 Ų18.11%0.0068%0.083CC..Hα-helixtrans-66.6-50-173.5177.90000111.4D43 L47 C48 Q49 V64 N65 L66 P68 Y171D43-V45 VanDerWaalsContact C-N 3.3Å; D43-V45 PolarHBondContact O-N 3.01Å; D43-V45 PolarHBondContact OD1-N 2.85Å; V45-L47 PolarHBondContact O-N 2.85Å; V45-C48 PolarHBondContact O-N 3.2Å; V45-Q49 WeakPolarHBondContact O-CG 3.31Å; V45-Q49 PolarHBondContact O-N 3.36Å; V45-V64 HydrophobicContact CG2-CG1 4.45Å; V45-N65 WeakPolarHBondContact CG2-O 3.46Å; V45-L66 HydrophobicContact CG1-CD2 4.02Å; V45-P68 HydrophobicContact CG2-CG 4.14Å; V45-Y171 HydrophobicContact CB-CE1 3.63Å; V45-Y171 HydrophobicContact CB-CE2 4.47Å; V45-Y171 HydrophobicContact CG1-CD1 3.99Å; V45-Y171 HydrophobicContact CG1-CE1 3.54Å; V45-Y171 HydrophobicContact CG2-CE1 4.45Å; V45-Y171 HydrophobicContact CG2-CE2 4.46Å
46L90.8Very high89.5Confident6 Ų627.5 Ų27.53%0.03112%0.118CC..Hα-helixtrans-61.9-32.2176.4-65.6-173.7000112.3M15 V20 L21 A40 L41 Q49 L50 L170 Y171M15-L46 HydrophobicContact CE-CB 4.13Å; V20-L46 HydrophobicContact CG1-CB 4.2Å; V20-L46 HydrophobicContact CG1-CD2 4.13Å; L21-L46 HydrophobicContact CD2-CD1 3.61Å; A40-L46 HydrophobicContact CB-CD1 4.17Å; A40-L46 WeakPolarHBondContact O-CD1 3.34Å; L41-L46 HydrophobicContact CD2-CB 4.18Å; L41-L46 HydrophobicContact CD2-CD1 4.37Å; L46-Q49 PolarHBondContact O-N 2.99Å; L46-L50 WeakPolarHBondContact O-CB 3.01Å; L46-L50 PolarHBondContact O-N 2.89Å; L46-L170 HydrophobicContact CD1-CD2 4.33Å; L46-Y171 HydrophobicContact CD2-CD1 4.26Å; L46-Y171 HydrophobicContact CD2-CE1 3.84Å; L46-Y171 HydrophobicContact CG-CE1 3.98Å
47L94.4Very high89Confident0 Ų032 Ų320%014%0.142CC..Hα-helixtrans-67.7-43.6177.4-65177.5000111.3L41 G44 V45 L50 V51 F82 I103 L116L41-L47 HydrophobicContact CB-CG 4.49Å; L41-L47 HydrophobicContact CD1-CD2 4.41Å; L41-L47 HydrophobicContact CD2-CD2 4.06Å; L41-L47 HydrophobicContact CD2-CG 4.42Å; G44-L47 WeakPolarHBondContact O-CB 3.37Å; G44-L47 PolarHBondContact O-N 2.86Å; V45-L47 PolarHBondContact O-N 2.85Å; L47-L50 WeakPolarHBondContact O-CB 3.48Å; L47-L50 PolarHBondContact O-N 3.4Å; L47-V51 WeakPolarHBondContact O-CG2 3.49Å; L47-V51 PolarHBondContact O-N 3.19Å; L47-F82 HydrophobicContact CB-CB 4Å; L47-F82 HydrophobicContact CB-CD1 4.1Å; L47-F82 HydrophobicContact CB-CD2 3.68Å; L47-F82 HydrophobicContact CB-CE2 4.16Å; L47-F82 HydrophobicContact CB-CG 3.65Å; L47-F82 HydrophobicContact CD1-CD1 3.92Å; L47-F82 HydrophobicContact CD1-CE1 4.11Å; L47-F82 HydrophobicContact CD1-CG 4.33Å; L47-F82 HydrophobicContact CD2-CE1 4.43Å; L47-F82 HydrophobicContact CD2-CE2 4.31Å; L47-F82 HydrophobicContact CD2-CZ 4.21Å; L47-F82 HydrophobicContact CG-CD1 4.49Å; L47-F82 WeakPolarHBondContact O-CD2 3.28Å; L47-I103 HydrophobicContact CD1-CG2 4.41Å; L47-L116 HydrophobicContact CD2-CD1 4.45Å; L47-L116 HydrophobicContact CD2-CD2 4.08Å
48C92.5Very high88.8Confident0 Ų033.2 Ų33.20%015%0.15CC..Hα-helixtrans-64.1-42.6173.8-67.50000112G44 V45 L50 V51 N52 I59 M61 V64 N78G44-C48 PolarHBondContact O-N 2.87Å; G44-C48 PolarHBondContact O-SG 3.14Å; G44-C48 VanDerWaalsContact O-SG 3.42Å; V45-C48 PolarHBondContact O-N 3.2Å; C48-L50 VanDerWaalsContact C-N 3.32Å; C48-L50 PolarHBondContact O-N 2.95Å; C48-V51 PolarHBondContact O-N 3.13Å; C48-N52 PolarHBondContact O-N 3.04Å; C48-I59 HydrophobicContact CB-CD1 4.06Å; C48-I59 HydrophobicContact CB-CG2 4.47Å; C48-M61 HydrophobicContact CB-SD 4.39Å; C48-V64 HydrophobicContact CB-CG1 4.25Å; C48-V64 HydrophobicContact CB-CG2 3.85Å; C48-N78 PolarHBondContact SG-O 3.01Å
49Q90.2Very high88.6Confident54 Ų5433.6 Ų33.625%0.25215%0.152SC..Hα-helixtrans-61.5-40.3176.2-71.3176.5-3.400112.1V20 V45 L46 V51 N52 R53 M61V20-Q49 HydrophobicContact CG1-CB 4.31Å; V45-Q49 WeakPolarHBondContact O-CG 3.31Å; V45-Q49 PolarHBondContact O-N 3.36Å; L46-Q49 PolarHBondContact O-N 2.99Å; Q49-V51 PolarHBondContact O-N 3.15Å; Q49-N52 PolarHBondContact O-N 2.83Å; Q49-R53 WeakPolarHBondContact O-CG 3.42Å; Q49-R53 PolarHBondContact O-N 2.93Å; Q49-M61 HydrophobicContact CG-CE 3.88Å; Q49-M61 HydrophobicContact CG-SD 4.49Å
50L92.9Very high88.3Confident0 Ų035.2 Ų35.20%016%0.161CC..Hα-helixtrans-57.3-48.1176172.666000112W14 C18 V20 L46 L47 C48 N52 R53 L54 L116 L119W14-L50 HydrophobicContact CH2-CD1 3.85Å; W14-L50 HydrophobicContact CH2-CD2 3.75Å; W14-L50 HydrophobicContact CH2-CG 4.21Å; W14-L50 HydrophobicContact CZ2-CD1 4.35Å; W14-L50 HydrophobicContact CZ3-CD1 4.04Å; W14-L50 HydrophobicContact CZ3-CD2 3.59Å; W14-L50 HydrophobicContact CZ3-CG 4.39Å; C18-L50 HydrophobicContact CB-CD1 3.87Å; V20-L50 HydrophobicContact CG1-CB 4.49Å; V20-L50 HydrophobicContact CG2-CB 3.88Å; V20-L50 HydrophobicContact CG2-CD1 3.82Å; V20-L50 HydrophobicContact CG2-CG 4.49Å; L46-L50 WeakPolarHBondContact O-CB 3.01Å; L46-L50 PolarHBondContact O-N 2.89Å; L47-L50 WeakPolarHBondContact O-CB 3.48Å; L47-L50 PolarHBondContact O-N 3.4Å; C48-L50 VanDerWaalsContact C-N 3.32Å; C48-L50 PolarHBondContact O-N 2.95Å; L50-N52 VanDerWaalsContact C-N 3.29Å; L50-N52 PolarHBondContact O-N 3.4Å; L50-R53 WeakPolarHBondContact O-CB 3.32Å; L50-R53 PolarHBondContact O-N 3.28Å; L50-R53 VanDerWaalsContact O-N 3.11Å; L50-L54 HydrophobicContact CD1-CD1 4.1Å; L50-L54 HydrophobicContact CD1-CG 4.2Å; L50-L54 HydrophobicContact CG-CD1 4.13Å; L50-L54 WeakPolarHBondContact O-CG 3.19Å; L50-L54 PolarHBondContact O-N 2.8Å; L50-L116 HydrophobicContact CD2-CD2 3.9Å; L50-L119 HydrophobicContact CD2-CD2 4.35Å
51V93.1Very high88Confident0 Ų037.9 Ų37.90%017%0.174CC..Hα-helixtrans-58.2-44.4177.8174.40000110.6L47 C48 Q49 R53 L54 N55 I59 F82 A85 F90L47-V51 WeakPolarHBondContact O-CG2 3.49Å; L47-V51 PolarHBondContact O-N 3.19Å; C48-V51 PolarHBondContact O-N 3.13Å; Q49-V51 PolarHBondContact O-N 3.15Å; V51-R53 VanDerWaalsContact C-N 3.32Å; V51-R53 PolarHBondContact O-N 2.85Å; V51-L54 PolarHBondContact O-N 2.86Å; V51-N55 PolarHBondContact O-N 3.32Å; V51-I59 HydrophobicContact CB-CD1 3.91Å; V51-I59 HydrophobicContact CG1-CD1 3.89Å; V51-I59 HydrophobicContact CG1-CG1 4.11Å; V51-I59 HydrophobicContact CG2-CD1 4.25Å; V51-F82 HydrophobicContact CG2-CD2 3.54Å; V51-F82 HydrophobicContact CG2-CE2 3.94Å; V51-A85 HydrophobicContact CG1-CB 3.65Å; V51-A85 HydrophobicContact CG2-CB 4.47Å; V51-F90 HydrophobicContact CG1-CE2 3.65Å; V51-F90 HydrophobicContact CG1-CZ 4.27Å
52N88.4Confident87Confident25 Ų2541.3 Ų41.313%0.13419%0.193CC..Hα-helixtrans-67.8-27.2177.5-79.9-16.3000114.3C48 Q49 L50 N55 R56 S58 I59 M61C48-N52 PolarHBondContact O-N 3.04Å; Q49-N52 PolarHBondContact O-N 2.83Å; L50-N52 VanDerWaalsContact C-N 3.29Å; L50-N52 PolarHBondContact O-N 3.4Å; N52-N55 CarbonylContact C-O 3.45Å; N52-N55 WeakPolarHBondContact CA-O 3.39Å; N52-N55 CarbonylContact O-C 3.52Å; N52-R56 WeakPolarHBondContact O-CA 3.42Å; N52-S58 PolarHBondContact OD1-N 3.33Å; N52-I59 PolarHBondContact ND2-O 2.93Å; N52-I59 PolarHBondContact OD1-N 3.04Å; N52-I59 PolarHBondContact OD1-O 2.92Å; N52-M61 WeakPolarHBondContact ND2-CG 3.48Å; N52-M61 PolarHBondContact ND2-SD 3.34Å
53R88.9Confident86.6Confident137 Ų13745 Ų4552%0.51721%0.211SC..Hα-helixtrans-73-38.7171.5-71.5-64.3-169.8-158.3-3.4111.9G19 V20 Q49 L50 V51G19-R53 PolarHBondContact O-NE 3.49Å; V20-R53 HydrophobicContact CG2-CB 4.23Å; V20-R53 HydrophobicContact CG2-CG 3.83Å; Q49-R53 WeakPolarHBondContact O-CG 3.42Å; Q49-R53 PolarHBondContact O-N 2.93Å; L50-R53 WeakPolarHBondContact O-CB 3.32Å; L50-R53 PolarHBondContact O-N 3.28Å; L50-R53 VanDerWaalsContact O-N 3.11Å; V51-R53 VanDerWaalsContact C-N 3.32Å; V51-R53 PolarHBondContact O-N 2.85Å
54L90.6Very high86.3Confident7 Ų745.2 Ų45.24%0.03721%0.212CC..Hα-helixtrans-73-36.9178.5-66.4174.3000112.1W14 L50 V51 F90 L119 A125W14-L54 HydrophobicContact CH2-CD1 4.07Å; W14-L54 HydrophobicContact CZ2-CD1 4.03Å; W14-L54 HydrophobicContact CZ2-CD2 4.18Å; L50-L54 HydrophobicContact CD1-CD1 4.1Å; L50-L54 HydrophobicContact CD1-CG 4.2Å; L50-L54 HydrophobicContact CG-CD1 4.13Å; L50-L54 WeakPolarHBondContact O-CG 3.19Å; L50-L54 PolarHBondContact O-N 2.8Å; V51-L54 PolarHBondContact O-N 2.86Å; L54-F90 HydrophobicContact CB-CE1 3.89Å; L54-F90 HydrophobicContact CB-CZ 3.86Å; L54-F90 HydrophobicContact CD1-CE1 4.29Å; L54-L119 HydrophobicContact CD1-CD2 4.13Å; L54-L119 HydrophobicContact CD1-CG 4.11Å; L54-A125 HydrophobicContact CD1-CB 4.13Å; L54-A125 HydrophobicContact CD2-CB 4.09Å
55N87Confident85.9Confident57 Ų5746.5 Ų46.531%0.30522%0.219SC..SBendtrans-144.8116.4174.4-179.946.4000109.8V51 N52 S58 F90 L124V51-N55 PolarHBondContact O-N 3.32Å; N52-N55 CarbonylContact C-O 3.45Å; N52-N55 WeakPolarHBondContact CA-O 3.39Å; N52-N55 CarbonylContact O-C 3.52Å; N55-S58 VanDerWaalsContact CB-OG 3.3Å; N55-S58 WeakPolarHBondContact CB-OG 3.31Å; N55-S58 PolarHBondContact ND2-OG 2.85Å; N55-S58 WeakPolarHBondContact O-CB 3.16Å; N55-S58 PolarHBondContact O-N 3.27Å; N55-S58 PolarHBondContact O-OG 2.79Å; N55-F90 HydrophobicContact CB-CZ 3.9Å; N55-L124 HydrophobicContact CB-CD1 4.5Å; N55-L124 HydrophobicContact CB-CD2 3.94Å; N55-L124 HydrophobicContact CB-CG 4.16Å
56R81Confident85.5Confident209 Ų20949.6 Ų49.679%0.78924%0.235SC*.THydrogen-bonded Turntrans-57.8141.3-173.2-70.5-172.3-179.4-167.20.1111.7N52 S58N52-R56 WeakPolarHBondContact O-CA 3.42Å; R56-S58 PolarHBondContact O-N 3.18Å
57D74.8Confident84.9Confident131 Ų13156.7 Ų56.770%0.70126%0.261SS*.THydrogen-bonded Turntrans54.631.3174.2-51.4-34.8000114.1
58S85.4Confident84.3Confident26 Ų2656.7 Ų56.718%0.18226%0.262CS..SBendtrans-71.7-36.5177.7-680000113.3N52 N55 R56N52-S58 PolarHBondContact OD1-N 3.33Å; N55-S58 VanDerWaalsContact CB-OG 3.3Å; N55-S58 WeakPolarHBondContact CB-OG 3.31Å; N55-S58 PolarHBondContact ND2-OG 2.85Å; N55-S58 WeakPolarHBondContact O-CB 3.16Å; N55-S58 PolarHBondContact O-N 3.27Å; N55-S58 PolarHBondContact O-OG 2.79Å; R56-S58 PolarHBondContact O-N 3.18Å
59I85.9Confident83.3Confident12 Ų1258.6 Ų58.66%0.06227%0.271CS..SBendtrans-123.1126.9176.8-63.1173000106.6C48 V51 N52 M61 V64 L81 A85C48-I59 HydrophobicContact CB-CD1 4.06Å; C48-I59 HydrophobicContact CB-CG2 4.47Å; V51-I59 HydrophobicContact CB-CD1 3.91Å; V51-I59 HydrophobicContact CG1-CD1 3.89Å; V51-I59 HydrophobicContact CG1-CG1 4.11Å; V51-I59 HydrophobicContact CG2-CD1 4.25Å; N52-I59 PolarHBondContact ND2-O 2.93Å; N52-I59 PolarHBondContact OD1-N 3.04Å; N52-I59 PolarHBondContact OD1-O 2.92Å; I59-M61 PolarHBondContact O-N 2.91Å; I59-M61 VanDerWaalsContact O-N 3.09Å; I59-V64 HydrophobicContact CG2-CG2 3.72Å; I59-L81 HydrophobicContact CG2-CB 4.33Å; I59-L81 HydrophobicContact CG2-CD1 4.48Å; I59-A85 HydrophobicContact CD1-CB 3.81Å; I59-A85 HydrophobicContact CG1-CB 3.83Å
60D79.9Confident82.4Confident53 Ų5360.8 Ų60.828%0.28328%0.284SS..  trans-66.1111.3171.1-177.63.6000109.1N62 E63D60-N62 PolarHBondContact O-N 2.65Å; D60-N62 VanDerWaalsContact O-N 3.13Å; D60-N62 VanDerWaalsContact OD1-CB 3.27Å; D60-N62 WeakPolarHBondContact OD1-CB 3.43Å; D60-N62 PolarHBondContact OD1-N 2.97Å; D60-N62 PolarHBondContact OD1-ND2 2.7Å; D60-E63 HydrophobicContact CB-CG 4.09Å; D60-E63 WeakPolarHBondContact O-CB 3.38Å; D60-E63 PolarHBondContact O-N 2.78Å
61M81Confident82.1Confident55 Ų5561.6 Ų61.627%0.27129%0.289SS..THydrogen-bonded Turntrans-65.2-14.3179.1-67.1-57.4-54.600112.6C48 Q49 N52 I59 E63 V64 L66C48-M61 HydrophobicContact CB-SD 4.39Å; Q49-M61 HydrophobicContact CG-CE 3.88Å; Q49-M61 HydrophobicContact CG-SD 4.49Å; N52-M61 WeakPolarHBondContact ND2-CG 3.48Å; N52-M61 PolarHBondContact ND2-SD 3.34Å; I59-M61 PolarHBondContact O-N 2.91Å; I59-M61 VanDerWaalsContact O-N 3.09Å; M61-E63 VanDerWaalsContact C-N 3.26Å; M61-V64 HydrophobicContact CE-CB 4.03Å; M61-V64 HydrophobicContact CE-CG1 4.08Å; M61-V64 HydrophobicContact CE-CG2 4.13Å; M61-V64 PolarHBondContact O-N 3.49Å; M61-V64 HydrophobicContact SD-CG2 4.1Å; M61-L66 HydrophobicContact CE-CD2 3.7Å
62N70.2Confident81.9Confident73 Ų7362.3 Ų62.339%0.3929%0.292SS..THydrogen-bonded Turntrans-73.3-16.7170.4-59.3-60.1000113D60D60-N62 PolarHBondContact O-N 2.65Å; D60-N62 VanDerWaalsContact O-N 3.13Å; D60-N62 VanDerWaalsContact OD1-CB 3.27Å; D60-N62 WeakPolarHBondContact OD1-CB 3.43Å; D60-N62 PolarHBondContact OD1-N 2.97Å; D60-N62 PolarHBondContact OD1-ND2 2.7Å
63E80.1Confident82.1Confident96 Ų9661.6 Ų61.645%0.44929%0.288SS..THydrogen-bonded Turntrans-87.8-19.4173.7-64.4-170.8170.100112.9D60 M61 L81D60-E63 HydrophobicContact CB-CG 4.09Å; D60-E63 WeakPolarHBondContact O-CB 3.38Å; D60-E63 PolarHBondContact O-N 2.78Å; M61-E63 VanDerWaalsContact C-N 3.26Å; E63-L81 HydrophobicContact CB-CD1 4.09Å
64V83.6Confident82.2Confident8 Ų855.2 Ų55.25%0.04827%0.265CS..SBendtrans-82.7123.6-179.7-178.10000109.1V45 C48 I59 M61 L66 L81V45-V64 HydrophobicContact CG2-CG1 4.45Å; C48-V64 HydrophobicContact CB-CG1 4.25Å; C48-V64 HydrophobicContact CB-CG2 3.85Å; I59-V64 HydrophobicContact CG2-CG2 3.72Å; M61-V64 HydrophobicContact CE-CB 4.03Å; M61-V64 HydrophobicContact CE-CG1 4.08Å; M61-V64 HydrophobicContact CE-CG2 4.13Å; M61-V64 PolarHBondContact O-N 3.49Å; M61-V64 HydrophobicContact SD-CG2 4.1Å; V64-L66 HydrophobicContact CG1-CD2 4.27Å; V64-L66 PolarHBondContact O-N 3.16Å; V64-L66 VanDerWaalsContact O-N 3.16Å; V64-L81 HydrophobicContact CG2-CD1 3.96Å
65N83.5Confident82.3Confident26 Ų2654.9 Ų54.914%0.13926%0.263CS..  trans-73.8109.5170.2-176.6-12.6000108.6V45 R67 P68 S74 N78 I409V45-N65 WeakPolarHBondContact CG2-O 3.46Å; N65-R67 VanDerWaalsContact C-N 3.28Å; N65-R67 PolarHBondContact O-N 3.5Å; N65-R67 VanDerWaalsContact OD1-C 3.26Å; N65-R67 PolarHBondContact OD1-N 2.97Å; N65-R67 PolarHBondContact OD1-O 3.24Å; N65-P68 HydrophobicContact CB-CB 4.32Å; N65-P68 WeakPolarHBondContact O-CD 3.18Å; N65-S74 VanDerWaalsContact ND2-CB 3.29Å; N65-S74 WeakPolarHBondContact ND2-CB 3.16Å; N65-S74 PolarHBondContact ND2-OG 3.24Å; N65-N78 PolarHBondContact N-OD1 2.95Å; N65-N78 PolarHBondContact O-ND2 3.37Å; N65-I409 WeakPolarHBondContact ND2-CD1 3.3Å
66L82.1Confident82.5Confident67 Ų6752.5 Ų52.535%0.35125%0.25SS..SBendtrans-74.8-13.9-178.2-60.7178.4000113.7V45 M61 V64 P68V45-L66 HydrophobicContact CG1-CD2 4.02Å; M61-L66 HydrophobicContact CE-CD2 3.7Å; V64-L66 HydrophobicContact CG1-CD2 4.27Å; V64-L66 PolarHBondContact O-N 3.16Å; V64-L66 VanDerWaalsContact O-N 3.16Å; L66-P68 VanDerWaalsContact C-CD 3.49Å
67R78.4Confident83.1Confident154 Ų15445.3 Ų45.358%0.58123%0.225SC*.  trans-132.364.7178.4-60.8-173.7-174.2101.10.7111.7N65 Q69 E405N65-R67 VanDerWaalsContact C-N 3.28Å; N65-R67 PolarHBondContact O-N 3.5Å; N65-R67 VanDerWaalsContact OD1-C 3.26Å; N65-R67 PolarHBondContact OD1-N 2.97Å; N65-R67 PolarHBondContact OD1-O 3.24Å; R67-Q69 VanDerWaalsContact C-N 3.34Å; R67-Q69 VanDerWaalsContact CA-OE1 3.31Å; R67-Q69 PolarHBondContact O-N 2.98Å; R67-Q69 PolarHBondContact O-OE1 2.79Å; R67-E405 IonicContact NH1-OE2 2.88Å
68P81.7Confident84Confident1 Ų139 Ų391%0.00619%0.191CC..  trans-88.17.4-172.139.7-41.4000113.7D43 V45 N65 L66 L70 S71 C75D43-P68 HydrophobicContact CB-CG 3.54Å; V45-P68 HydrophobicContact CG2-CG 4.14Å; N65-P68 HydrophobicContact CB-CB 4.32Å; N65-P68 WeakPolarHBondContact O-CD 3.18Å; L66-P68 VanDerWaalsContact C-CD 3.49Å; P68-L70 VanDerWaalsContact C-N 3.25Å; P68-L70 PolarHBondContact O-N 3.05Å; P68-S71 PolarHBondContact O-N 3.1Å; P68-C75 PolarHBondContact O-SG 3.38Å
69Q70.4Confident84.4Confident40 Ų4037.8 Ų37.819%0.18718%0.183CC..THydrogen-bonded Turntrans-58.3-29.3-158.8-60.486-1.200115.3R67 L166R67-Q69 VanDerWaalsContact C-N 3.34Å; R67-Q69 VanDerWaalsContact CA-OE1 3.31Å; R67-Q69 PolarHBondContact O-N 2.98Å; R67-Q69 PolarHBondContact O-OE1 2.79Å; Q69-L166 HydrophobicContact CB-CB 3.91Å; Q69-L166 HydrophobicContact CG-CB 4.12Å
70L72.1Confident84.8Confident100 Ų10038.7 Ų38.752%0.52419%0.19SC..THydrogen-bonded Turntrans-97.21.6178.8-63177.7000113.9P68P68-L70 VanDerWaalsContact C-N 3.25Å; P68-L70 PolarHBondContact O-N 3.05Å
71S85.7Confident85.5Confident16 Ų1637.7 Ų37.711%0.11218%0.184CC..BIsolated β-bridgetrans-125.6100.7-172.2179.20000111.6P68 F73 S74 C75 D439P68-S71 PolarHBondContact O-N 3.1Å; S71-F73 PolarHBondContact O-N 3.04Å; S71-S74 WeakPolarHBondContact CB-OG 3.12Å; S71-S74 PolarHBondContact O-N 3.15Å; S71-S74 VanDerWaalsContact O-N 3.1Å; S71-S74 WeakPolarHBondContact OG-CB 3.42Å; S71-S74 PolarHBondContact OG-N 3.07Å; S71-S74 VanDerWaalsContact OG-N 3.1Å; S71-S74 PolarHBondContact OG-OG 3.37Å; S71-C75 PolarHBondContact O-N 2.93Å; S71-C75 PolarHBondContact O-SG 3.27Å; S71-C75 VanDerWaalsContact O-SG 3.35Å; S71-D439 WeakPolarHBondContact CA-OD1 3.48Å; S71-D439 WeakPolarHBondContact CB-OD1 3.37Å; S71-D439 PolarHBondContact OG-OD1 3.3Å
72Q89.6Confident86.2Confident16 Ų1635 Ų358%0.07517%0.171CC..Hα-helixtrans-55.7-39.2172.2171.8176.8-19.300110.7S74 C75 T76 Y104 D439 D441 Y462Q72-S74 PolarHBondContact O-N 2.75Å; Q72-C75 PolarHBondContact O-N 2.98Å; Q72-T76 HydrophobicContact CG-CG2 4.39Å; Q72-T76 WeakPolarHBondContact O-CG2 3.38Å; Q72-T76 PolarHBondContact O-N 2.81Å; Q72-T76 PolarHBondContact O-OG1 2.87Å; Q72-T76 VanDerWaalsContact O-OG1 3.08Å; Q72-Y104 HydrophobicContact CB-CE1 3.96Å; Q72-Y104 HydrophobicContact CB-CE2 4.36Å; Q72-Y104 HydrophobicContact CG-CD1 3.94Å; Q72-Y104 HydrophobicContact CG-CE1 3.51Å; Q72-Y104 HydrophobicContact CG-CE2 4.42Å; Q72-D439 PolarHBondContact N-OD2 3.24Å; Q72-D441 PolarHBondContact NE2-OD2 3.47Å; Q72-D441 PolarHBondContact OE1-OD2 3.44Å; Q72-Y462 VanDerWaalsContact CB-OH 3.31Å; Q72-Y462 WeakPolarHBondContact CB-OH 3.44Å; Q72-Y462 HydrophobicContact CG-CE2 4.31Å; Q72-Y462 WeakPolarHBondContact CG-OH 3.15Å
73F91.9Very high87.3Confident9 Ų932 Ų324%0.03916%0.155CC..Hα-helixtrans-58.1-43.4175.8174.8-99.9000113.2S71 T76 K77 D412 I413 D439 Y462 F464 N479 Y481S71-F73 PolarHBondContact O-N 3.04Å; F73-T76 PolarHBondContact O-OG1 2.98Å; F73-K77 WeakPolarHBondContact O-CB 3.38Å; F73-K77 PolarHBondContact O-N 3.37Å; F73-D412 HydrophobicContact CE1-CB 3.99Å; F73-D412 HydrophobicContact CZ-CB 4.18Å; F73-I413 HydrophobicContact CD1-CG1 3.72Å; F73-I413 HydrophobicContact CE1-CG1 3.74Å; F73-I413 HydrophobicContact CG-CG1 4.35Å; F73-I413 HydrophobicContact CZ-CG1 4.37Å; F73-D439 WeakPolarHBondContact CB-OD2 3.31Å; F73-D439 PolarHBondContact N-OD2 3.38Å; F73-Y462 PolarHBondContact N-OH 3.23Å; F73-F464 HydrophobicContact CB-CE1 3.99Å; F73-F464 HydrophobicContact CD2-CE1 4.3Å; F73-F464 HydrophobicContact CD2-CZ 4.36Å; F73-F464 HydrophobicContact CG-CE1 4.14Å; F73-N479 WeakPolarHBondContact CD2-ND2 3.22Å; F73-N479 VanDerWaalsContact CE2-ND2 3.35Å; F73-N479 WeakPolarHBondContact CE2-ND2 2.99Å; F73-Y481 AromaticContact CD2-CE2 3.73Å; F73-Y481 HydrophobicContact CD2-CE2 3.73Å; F73-Y481 HydrophobicContact CE2-CE2 4.04Å
74S90.6Very high88Confident4 Ų431.9 Ų31.93%0.02816%0.157CC..Hα-helixtrans-70.9-41.6179-61.80000111.6N65 S71 Q72 K77 N78N65-S74 VanDerWaalsContact ND2-CB 3.29Å; N65-S74 WeakPolarHBondContact ND2-CB 3.16Å; N65-S74 PolarHBondContact ND2-OG 3.24Å; S71-S74 WeakPolarHBondContact CB-OG 3.12Å; S71-S74 PolarHBondContact O-N 3.15Å; S71-S74 VanDerWaalsContact O-N 3.1Å; S71-S74 WeakPolarHBondContact OG-CB 3.42Å; S71-S74 PolarHBondContact OG-N 3.07Å; S71-S74 VanDerWaalsContact OG-N 3.1Å; S71-S74 PolarHBondContact OG-OG 3.37Å; Q72-S74 PolarHBondContact O-N 2.75Å; S74-K77 PolarHBondContact O-N 3.34Å; S74-N78 PolarHBondContact O-N 2.83Å
75C92.3Very high88.5Confident0 Ų031.8 Ų31.80%016%0.158CC..Hα-helixtrans-60.2-48.5175.7-64.30000111.5D43 P68 S71 Q72 K77 N78 I79 Y104D43-C75 HydrophobicContact CB-CB 4.46Å; P68-C75 PolarHBondContact O-SG 3.38Å; S71-C75 PolarHBondContact O-N 2.93Å; S71-C75 PolarHBondContact O-SG 3.27Å; S71-C75 VanDerWaalsContact O-SG 3.35Å; Q72-C75 PolarHBondContact O-N 2.98Å; C75-K77 VanDerWaalsContact C-N 3.32Å; C75-K77 PolarHBondContact O-N 2.83Å; C75-N78 PolarHBondContact O-N 2.77Å; C75-I79 WeakPolarHBondContact O-CD1 3.19Å; C75-I79 VanDerWaalsContact O-CG1 3.26Å; C75-I79 WeakPolarHBondContact O-CG1 3.5Å; C75-I79 PolarHBondContact O-N 3.03Å; C75-Y104 HydrophobicContact CB-CD2 3.48Å; C75-Y104 VanDerWaalsContact CB-CD2 3.48Å; C75-Y104 HydrophobicContact CB-CE2 3.66Å
76T92.7Very high89Confident7 Ų730.6 Ų30.64%0.04315%0.151CC..Hα-helixtrans-64.6-37.1179.454.10000111.7Q72 F73 I79 S80 I101 N479Q72-T76 HydrophobicContact CG-CG2 4.39Å; Q72-T76 WeakPolarHBondContact O-CG2 3.38Å; Q72-T76 PolarHBondContact O-N 2.81Å; Q72-T76 PolarHBondContact O-OG1 2.87Å; Q72-T76 VanDerWaalsContact O-OG1 3.08Å; F73-T76 PolarHBondContact O-OG1 2.98Å; T76-I79 PolarHBondContact O-N 3.48Å; T76-S80 PolarHBondContact O-N 2.83Å; T76-S80 PolarHBondContact O-OG 3.06Å; T76-S80 VanDerWaalsContact O-OG 3.13Å; T76-I101 HydrophobicContact CG2-CD1 4.37Å; T76-N479 PolarHBondContact OG1-ND2 2.69Å; T76-N479 PolarHBondContact OG1-OD1 3.17Å
77K92.7Very high89.6Confident57 Ų5731 Ų3125%0.24815%0.151CC..Hα-helixtrans-60.5-49.3173.8-174.3-172.8177.2-160.10111.9F73 S74 C75 I79 S80 L81 D412F73-K77 WeakPolarHBondContact O-CB 3.38Å; F73-K77 PolarHBondContact O-N 3.37Å; S74-K77 PolarHBondContact O-N 3.34Å; C75-K77 VanDerWaalsContact C-N 3.32Å; C75-K77 PolarHBondContact O-N 2.83Å; K77-I79 VanDerWaalsContact C-N 3.34Å; K77-I79 PolarHBondContact O-N 3.16Å; K77-S80 WeakPolarHBondContact O-CB 3.47Å; K77-S80 PolarHBondContact O-N 3.41Å; K77-L81 PolarHBondContact O-N 2.77Å; K77-D412 IonicContact NZ-OD2 3.62Å; K77-D412 PolarHBondContact NZ-OD2 2.85Å
78N93.6Very high90.3Very high0 Ų029.1 Ų29.10%015%0.153CC..Hα-helixtrans-57.8-46.8176.5-72.1-10.1000111.5D43 C48 N65 S74 C75 S80 L81 F82D43-N78 VanDerWaalsContact O-CB 3.31Å; D43-N78 WeakPolarHBondContact O-CB 3.25Å; D43-N78 PolarHBondContact O-ND2 2.93Å; D43-N78 VanDerWaalsContact O-ND2 3.07Å; C48-N78 PolarHBondContact SG-O 3.01Å; N65-N78 PolarHBondContact N-OD1 2.95Å; N65-N78 PolarHBondContact O-ND2 3.37Å; S74-N78 PolarHBondContact O-N 2.83Å; C75-N78 PolarHBondContact O-N 2.77Å; N78-S80 VanDerWaalsContact C-N 3.3Å; N78-S80 PolarHBondContact O-N 2.93Å; N78-L81 WeakPolarHBondContact O-CB 3.37Å; N78-L81 PolarHBondContact O-N 2.96Å; N78-L81 VanDerWaalsContact O-N 3.13Å; N78-F82 PolarHBondContact O-N 3.33Å; N78-F82 VanDerWaalsContact O-N 3.09Å
79I94.8Very high90.8Very high0 Ų032.9 Ų32.90%017%0.173CC..Hα-helixtrans-61.1-40.2177.7-65.2161.2000111C75 T76 K77 L81 F82 L83 P100 I103C75-I79 WeakPolarHBondContact O-CD1 3.19Å; C75-I79 VanDerWaalsContact O-CG1 3.26Å; C75-I79 WeakPolarHBondContact O-CG1 3.5Å; C75-I79 PolarHBondContact O-N 3.03Å; T76-I79 PolarHBondContact O-N 3.48Å; K77-I79 VanDerWaalsContact C-N 3.34Å; K77-I79 PolarHBondContact O-N 3.16Å; I79-L81 PolarHBondContact O-N 3.21Å; I79-F82 WeakPolarHBondContact O-CB 3.35Å; I79-F82 PolarHBondContact O-N 3.33Å; I79-L83 HydrophobicContact CG2-CD1 3.84Å; I79-L83 HydrophobicContact CG2-CG 4.24Å; I79-L83 WeakPolarHBondContact O-CG 3.39Å; I79-L83 PolarHBondContact O-N 3.35Å; I79-P100 HydrophobicContact CB-CB 4.29Å; I79-P100 HydrophobicContact CG2-CB 3.97Å; I79-I103 HydrophobicContact CD1-CB 4.05Å; I79-I103 HydrophobicContact CD1-CG2 3.75Å; I79-I103 HydrophobicContact CG1-CG2 4.14Å; I79-I103 HydrophobicContact CG2-CB 4.1Å; I79-I103 HydrophobicContact CG2-CD1 3.47Å; I79-I103 VanDerWaalsContact CG2-CD1 3.47Å; I79-I103 HydrophobicContact CG2-CG1 4.34Å; I79-I103 HydrophobicContact CG2-CG2 4.31Å
80S94.3Very high91.8Very high31 Ų3131.7 Ų31.722%0.21717%0.167CC..Hα-helixtrans-61.3-40.5174.4-69.50000112.7T76 K77 N78 F82 L83 N84 P100T76-S80 PolarHBondContact O-N 2.83Å; T76-S80 PolarHBondContact O-OG 3.06Å; T76-S80 VanDerWaalsContact O-OG 3.13Å; K77-S80 WeakPolarHBondContact O-CB 3.47Å; K77-S80 PolarHBondContact O-N 3.41Å; N78-S80 VanDerWaalsContact C-N 3.3Å; N78-S80 PolarHBondContact O-N 2.93Å; S80-F82 VanDerWaalsContact C-N 3.35Å; S80-F82 PolarHBondContact O-N 3.1Å; S80-L83 PolarHBondContact O-N 2.87Å; S80-N84 VanDerWaalsContact O-CB 3.29Å; S80-N84 WeakPolarHBondContact O-CB 3.35Å; S80-N84 PolarHBondContact O-N 2.86Å; S80-N84 PolarHBondContact O-ND2 2.88Å; S80-P100 VanDerWaalsContact OG-CG 3.25Å; S80-P100 WeakPolarHBondContact OG-CG 3.28Å
81L93.5Very high92.8Very high31 Ų3129.3 Ų29.316%0.16217%0.166CC..Hα-helixtrans-59.8-45.9174.7-68.2172.6000111.2I59 E63 V64 K77 N78 I79 A85I59-L81 HydrophobicContact CG2-CB 4.33Å; I59-L81 HydrophobicContact CG2-CD1 4.48Å; E63-L81 HydrophobicContact CB-CD1 4.09Å; V64-L81 HydrophobicContact CG2-CD1 3.96Å; K77-L81 PolarHBondContact O-N 2.77Å; N78-L81 WeakPolarHBondContact O-CB 3.37Å; N78-L81 PolarHBondContact O-N 2.96Å; N78-L81 VanDerWaalsContact O-N 3.13Å; I79-L81 PolarHBondContact O-N 3.21Å; L81-A85 PolarHBondContact O-N 2.97Å
82F95.5Very high93.1Very high0 Ų029.1 Ų29.10%016%0.164CC..Hα-helixtrans-57.4-53.1174.5160.1-105.5000112.3L47 V51 N78 I79 S80 N84 A85 C86 L112 L116 L119L47-F82 HydrophobicContact CB-CB 4Å; L47-F82 HydrophobicContact CB-CD1 4.1Å; L47-F82 HydrophobicContact CB-CD2 3.68Å; L47-F82 HydrophobicContact CB-CE2 4.16Å; L47-F82 HydrophobicContact CB-CG 3.65Å; L47-F82 HydrophobicContact CD1-CD1 3.92Å; L47-F82 HydrophobicContact CD1-CE1 4.11Å; L47-F82 HydrophobicContact CD1-CG 4.33Å; L47-F82 HydrophobicContact CD2-CE1 4.43Å; L47-F82 HydrophobicContact CD2-CE2 4.31Å; L47-F82 HydrophobicContact CD2-CZ 4.21Å; L47-F82 HydrophobicContact CG-CD1 4.49Å; L47-F82 WeakPolarHBondContact O-CD2 3.28Å; V51-F82 HydrophobicContact CG2-CD2 3.54Å; V51-F82 HydrophobicContact CG2-CE2 3.94Å; N78-F82 PolarHBondContact O-N 3.33Å; N78-F82 VanDerWaalsContact O-N 3.09Å; I79-F82 WeakPolarHBondContact O-CB 3.35Å; I79-F82 PolarHBondContact O-N 3.33Å; S80-F82 VanDerWaalsContact C-N 3.35Å; S80-F82 PolarHBondContact O-N 3.1Å; F82-N84 VanDerWaalsContact C-N 3.33Å; F82-N84 PolarHBondContact O-N 3.02Å; F82-A85 WeakPolarHBondContact O-CB 3.31Å; F82-A85 PolarHBondContact O-N 3.12Å; F82-A85 VanDerWaalsContact O-N 3.17Å; F82-C86 WeakPolarHBondContact CE2-SG 3.27Å; F82-C86 VanDerWaalsContact CZ-SG 3.56Å; F82-C86 PolarHBondContact O-N 2.85Å; F82-C86 PolarHBondContact O-SG 3.14Å; F82-C86 VanDerWaalsContact O-SG 3.41Å; F82-L112 HydrophobicContact CE1-CD1 4.32Å; F82-L116 HydrophobicContact CE2-CD2 4.3Å; F82-L116 HydrophobicContact CZ-CD2 3.85Å; F82-L119 HydrophobicContact CE2-CD2 4.04Å; F82-L119 HydrophobicContact CZ-CD2 4.48Å
83L95.1Very high93.2Very high10 Ų1034.3 Ų34.35%0.05219%0.188CC..Hα-helixtrans-63.7-39.2-177.2-67.9169.2000112I79 S80 A85 C86 H87 L97 C98 P100 I103I79-L83 HydrophobicContact CG2-CD1 3.84Å; I79-L83 HydrophobicContact CG2-CG 4.24Å; I79-L83 WeakPolarHBondContact O-CG 3.39Å; I79-L83 PolarHBondContact O-N 3.35Å; S80-L83 PolarHBondContact O-N 2.87Å; L83-A85 VanDerWaalsContact C-N 3.34Å; L83-C86 WeakPolarHBondContact O-CB 3.43Å; L83-C86 PolarHBondContact O-N 3.3Å; L83-H87 PolarHBondContact O-N 3.07Å; L83-L97 HydrophobicContact CD2-CB 4.32Å; L83-L97 HydrophobicContact CD2-CD2 4.2Å; L83-C98 WeakPolarHBondContact CD1-O 3.31Å; L83-P100 HydrophobicContact CD1-CG 3.97Å; L83-I103 HydrophobicContact CD1-CD1 4.28Å; L83-I103 HydrophobicContact CD2-CD1 4.19Å; L83-I103 HydrophobicContact CG-CD1 4.48Å
84N93.8Very high93Very high92 Ų9238.4 Ų38.449%0.49221%0.214SC..Hα-helixtrans-63-40.8175.3-73.4-21.5000111.6S80 F82 H87 N88S80-N84 VanDerWaalsContact O-CB 3.29Å; S80-N84 WeakPolarHBondContact O-CB 3.35Å; S80-N84 PolarHBondContact O-N 2.86Å; S80-N84 PolarHBondContact O-ND2 2.88Å; F82-N84 VanDerWaalsContact C-N 3.33Å; F82-N84 PolarHBondContact O-N 3.02Å; N84-H87 PolarHBondContact O-N 2.8Å; N84-N88 VanDerWaalsContact O-CB 3.27Å; N84-N88 WeakPolarHBondContact O-CB 3.34Å; N84-N88 VanDerWaalsContact O-CG 3.28Å; N84-N88 PolarHBondContact O-N 2.97Å; N84-N88 PolarHBondContact O-ND2 2.86Å
85A94Very high92.9Very high7 Ų744.9 Ų44.96%0.05825%0.248CC..Hα-helixtrans-65.1-42.7175.100000111.6V51 I59 L81 F82 L83 H87 L89 F90V51-A85 HydrophobicContact CG1-CB 3.65Å; V51-A85 HydrophobicContact CG2-CB 4.47Å; I59-A85 HydrophobicContact CD1-CB 3.81Å; I59-A85 HydrophobicContact CG1-CB 3.83Å; L81-A85 PolarHBondContact O-N 2.97Å; F82-A85 WeakPolarHBondContact O-CB 3.31Å; F82-A85 PolarHBondContact O-N 3.12Å; F82-A85 VanDerWaalsContact O-N 3.17Å; L83-A85 VanDerWaalsContact C-N 3.34Å; A85-H87 VanDerWaalsContact C-N 3.3Å; A85-H87 PolarHBondContact O-N 2.78Å; A85-L89 HydrophobicContact CB-CD1 4.23Å; A85-L89 VanDerWaalsContact O-CB 3.29Å; A85-L89 WeakPolarHBondContact O-CB 3.31Å; A85-L89 PolarHBondContact O-N 2.75Å; A85-F90 PolarHBondContact O-N 3.25Å
86C94.9Very high92.6Very high0 Ų046.3 Ų46.30%026%0.256CS..Hα-helixtrans-57.2-42.4174.3-70.90000112.5F82 L83 F90 G91 L92 L97F82-C86 WeakPolarHBondContact CE2-SG 3.27Å; F82-C86 VanDerWaalsContact CZ-SG 3.56Å; F82-C86 PolarHBondContact O-N 2.85Å; F82-C86 PolarHBondContact O-SG 3.14Å; F82-C86 VanDerWaalsContact O-SG 3.41Å; L83-C86 WeakPolarHBondContact O-CB 3.43Å; L83-C86 PolarHBondContact O-N 3.3Å; C86-F90 CarbonylContact O-C 3.58Å; C86-F90 WeakPolarHBondContact O-CB 3.33Å; C86-F90 PolarHBondContact O-N 2.88Å; C86-G91 PolarHBondContact O-N 2.83Å; C86-L92 HydrophobicContact CB-CD2 4.21Å; C86-L92 PolarHBondContact O-N 3.43Å; C86-L92 VanDerWaalsContact O-N 3.15Å; C86-L97 HydrophobicContact CB-CD2 4.07Å
87H94.5Very high92.5Very high75 Ų7547.1 Ų47.135%0.34726%0.26SS..Hα-helixtrans-69.3-57177.2-172.255.8000112.1L83 N84 A85 G91 L92 L97L83-H87 PolarHBondContact O-N 3.07Å; N84-H87 PolarHBondContact O-N 2.8Å; A85-H87 VanDerWaalsContact C-N 3.3Å; A85-H87 PolarHBondContact O-N 2.78Å; H87-G91 PolarHBondContact O-N 3.06Å; H87-L92 PolarHBondContact ND1-O 3.2Å; H87-L97 HydrophobicContact CB-CD1 3.87Å
88N92.8Very high92.3Very high116 Ų11644.7 Ų44.762%0.6225%0.25SC*.Hα-helixtrans-77.5-30.6-167-64.7-29.5000113.4N84N84-N88 VanDerWaalsContact O-CB 3.27Å; N84-N88 WeakPolarHBondContact O-CB 3.34Å; N84-N88 VanDerWaalsContact O-CG 3.28Å; N84-N88 PolarHBondContact O-N 2.97Å; N84-N88 PolarHBondContact O-ND2 2.86Å
89L91.8Very high92.1Very high80 Ų8050.8 Ų50.842%0.41928%0.278SS..THydrogen-bonded Turntrans-107.2-42-174.5-57175.1000112.7A85A85-L89 HydrophobicContact CB-CD1 4.23Å; A85-L89 VanDerWaalsContact O-CB 3.29Å; A85-L89 WeakPolarHBondContact O-CB 3.31Å; A85-L89 PolarHBondContact O-N 2.75Å
90F92.8Very high91.9Very high15 Ų1551.9 Ų51.97%0.06629%0.286CS..THydrogen-bonded Turntrans-94.2-6.6-176-65.8-96.6000113.2V51 L54 N55 A85 C86 L92 L119 S122 L124 A125V51-F90 HydrophobicContact CG1-CE2 3.65Å; V51-F90 HydrophobicContact CG1-CZ 4.27Å; L54-F90 HydrophobicContact CB-CE1 3.89Å; L54-F90 HydrophobicContact CB-CZ 3.86Å; L54-F90 HydrophobicContact CD1-CE1 4.29Å; N55-F90 HydrophobicContact CB-CZ 3.9Å; A85-F90 PolarHBondContact O-N 3.25Å; C86-F90 CarbonylContact O-C 3.58Å; C86-F90 WeakPolarHBondContact O-CB 3.33Å; C86-F90 PolarHBondContact O-N 2.88Å; F90-L92 HydrophobicContact CB-CD1 3.71Å; F90-L119 HydrophobicContact CB-CD1 3.65Å; F90-L119 HydrophobicContact CD1-CD1 3.45Å; F90-L119 VanDerWaalsContact CD1-CD1 3.45Å; F90-L119 HydrophobicContact CD2-CD1 3.97Å; F90-L119 HydrophobicContact CE1-CD1 4.04Å; F90-L119 HydrophobicContact CG-CD1 3.39Å; F90-S122 WeakPolarHBondContact CD1-OG 3.49Å; F90-L124 HydrophobicContact CD1-CB 3.85Å; F90-L124 HydrophobicContact CD1-CD2 3.95Å; F90-L124 HydrophobicContact CD1-CG 4.15Å; F90-L124 HydrophobicContact CD2-CD2 4.42Å; F90-L124 HydrophobicContact CE1-CB 3.98Å; F90-L124 HydrophobicContact CE1-CD2 3.78Å; F90-L124 HydrophobicContact CE1-CG 3.85Å; F90-L124 HydrophobicContact CE2-CD2 4.2Å; F90-L124 HydrophobicContact CG-CD2 4.29Å; F90-L124 HydrophobicContact CZ-CD2 3.91Å; F90-L124 HydrophobicContact CZ-CG 4.35Å; F90-A125 HydrophobicContact CD1-CB 4.49Å; F90-A125 HydrophobicContact CE1-CB 4.33Å
91G91.3Very high91.6Very high50 Ų5053 Ų5352%0.51529%0.289SS..  trans74.623172.700000114.6C86 H87 Q93C86-G91 PolarHBondContact O-N 2.83Å; H87-G91 PolarHBondContact O-N 3.06Å; G91-Q93 PolarHBondContact O-NE2 3Å
92L92.8Very high91.4Very high11 Ų1153.8 Ų53.86%0.05829%0.291CS..  trans-69139.2175.9-83.670.3000110.5C86 H87 F90 L97 T115 K118 L119C86-L92 HydrophobicContact CB-CD2 4.21Å; C86-L92 PolarHBondContact O-N 3.43Å; C86-L92 VanDerWaalsContact O-N 3.15Å; H87-L92 PolarHBondContact ND1-O 3.2Å; F90-L92 HydrophobicContact CB-CD1 3.71Å; L92-L97 HydrophobicContact CB-CD2 4.03Å; L92-L97 HydrophobicContact CD2-CD2 4.05Å; L92-T115 HydrophobicContact CD2-CG2 3.82Å; L92-K118 HydrophobicContact CD2-CB 4.35Å; L92-L119 HydrophobicContact CD1-CD1 4.23Å; L92-L119 HydrophobicContact CD2-CB 4.35Å
93Q91.3Very high91.2Very high126 Ų12654 Ų5459%0.58929%0.292SS*.  trans-74.3149.6178.1-59.5-56.9-63.100110.7G91 D95 D96G91-Q93 PolarHBondContact O-NE2 3Å; Q93-D95 PolarHBondContact O-N 3.17Å; Q93-D96 VanDerWaalsContact O-CB 3.31Å; Q93-D96 WeakPolarHBondContact O-CB 3.22Å; Q93-D96 PolarHBondContact O-N 2.72Å
94T88.5Confident90.9Very high95 Ų9554.9 Ų54.958%0.58330%0.295SS*.G310 helixtrans-56.9-36.1-178.6-48.40000112.7D96 L97T94-D96 PolarHBondContact O-N 2.72Å; T94-L97 PolarHBondContact O-N 3.47Å; T94-L97 VanDerWaalsContact O-N 3.17Å
95D88.4Confident90.5Very high139 Ų13954.2 Ų54.274%0.74329%0.286SS*.G310 helixtrans-64.7-24.7179-66.5-22.9000112.8Q93 L97 K111Q93-D95 PolarHBondContact O-N 3.17Å; D95-L97 VanDerWaalsContact C-N 3.33Å; D95-K111 WeakPolarHBondContact O-CE 3.46Å; D95-K111 PolarHBondContact O-NZ 3.47Å
96D86.1Confident90.2Very high31 Ų3154 Ų5417%0.16628%0.284CS..G310 helixtrans-83.5-8.3-179.7-62.3-28000113.4Q93 T94 T115 K118Q93-D96 VanDerWaalsContact O-CB 3.31Å; Q93-D96 WeakPolarHBondContact O-CB 3.22Å; Q93-D96 PolarHBondContact O-N 2.72Å; T94-D96 PolarHBondContact O-N 2.72Å; D96-T115 PolarHBondContact O-OG1 3.21Å; D96-K118 HydrophobicContact CB-CD 3.95Å; D96-K118 IonicContact OD1-NZ 3.61Å; D96-K118 PolarHBondContact OD1-NZ 2.98Å; D96-K118 WeakPolarHBondContact OD2-CD 3.43Å; D96-K118 IonicContact OD2-NZ 2.68Å; D96-K118 PolarHBondContact OD2-NZ 2.83Å
97L90.1Very high89.7Confident23 Ų2356.9 Ų56.912%0.1230%0.304CS..SBendtrans-98.2142.4-175.3-58.5177.2000111.2L83 C86 H87 L92 T94 D95 K111 T115L83-L97 HydrophobicContact CD2-CB 4.32Å; L83-L97 HydrophobicContact CD2-CD2 4.2Å; C86-L97 HydrophobicContact CB-CD2 4.07Å; H87-L97 HydrophobicContact CB-CD1 3.87Å; L92-L97 HydrophobicContact CB-CD2 4.03Å; L92-L97 HydrophobicContact CD2-CD2 4.05Å; T94-L97 PolarHBondContact O-N 3.47Å; T94-L97 VanDerWaalsContact O-N 3.17Å; D95-L97 VanDerWaalsContact C-N 3.33Å; L97-K111 VanDerWaalsContact O-CE 3.22Å; L97-K111 WeakPolarHBondContact O-CE 3.35Å; L97-K111 PolarHBondContact O-NZ 2.85Å; L97-T115 HydrophobicContact CD2-CG2 3.81Å
98C88.2Confident89.1Confident6 Ų655.6 Ų55.64%0.04130%0.3CS..PPolyproline II helixtrans-78.6156.9170.6-59.10000110.8L83 I103 K111 L112L83-C98 WeakPolarHBondContact CD1-O 3.31Å; C98-I103 HydrophobicContact CB-CD1 3.78Å; C98-I103 HydrophobicContact CB-CG1 3.75Å; C98-K111 VanDerWaalsContact SG-CB 3.57Å; C98-K111 VanDerWaalsContact SG-CG 3.57Å; C98-L112 VanDerWaalsContact SG-CA 3.55Å; C98-L112 PolarHBondContact SG-N 2.9Å
99E89.5Confident88.9Confident128 Ų12850.2 Ų50.260%0.59827%0.271SS*.PPolyproline II helixtrans-72.1142.9162.2-73.7-89.7168.100109.2I101 E102 I103E99-I101 HydrophobicContact CB-CG2 4.36Å; E99-I101 PolarHBondContact O-N 3.4Å; E99-I101 VanDerWaalsContact O-N 3.11Å; E99-E102 HydrophobicContact CB-CG 3.89Å; E99-E102 PolarHBondContact N-OE2 2.78Å; E99-E102 WeakPolarHBondContact O-CB 3.21Å; E99-E102 PolarHBondContact O-N 3.11Å; E99-I103 PolarHBondContact O-N 2.88Å
100P91.7Very high88.6Confident24 Ų2446.4 Ų46.416%0.15625%0.251CS..Hα-helixtrans-54-37.5-178.3-26.231.4000114I79 S80 L83 E102 I103 Y104I79-P100 HydrophobicContact CB-CB 4.29Å; I79-P100 HydrophobicContact CG2-CB 3.97Å; S80-P100 VanDerWaalsContact OG-CG 3.25Å; S80-P100 WeakPolarHBondContact OG-CG 3.28Å; L83-P100 HydrophobicContact CD1-CG 3.97Å; P100-E102 VanDerWaalsContact C-N 3.3Å; P100-E102 PolarHBondContact O-N 3.47Å; P100-I103 PolarHBondContact O-N 3.42Å; P100-Y104 PolarHBondContact O-N 3.49Å; P100-Y104 VanDerWaalsContact O-N 3.09Å
101I88.2Confident88.4Confident54 Ų5448.4 Ų48.428%0.27726%0.26SS..Hα-helixtrans-69.1-27.9179.8-164.562000112.7T76 E99 I103 Y104 R105T76-I101 HydrophobicContact CG2-CD1 4.37Å; E99-I101 HydrophobicContact CB-CG2 4.36Å; E99-I101 PolarHBondContact O-N 3.4Å; E99-I101 VanDerWaalsContact O-N 3.11Å; I101-I103 VanDerWaalsContact C-N 3.34Å; I101-Y104 HydrophobicContact CD1-CD1 4.06Å; I101-Y104 PolarHBondContact O-N 2.91Å; I101-R105 HydrophobicContact CD1-CG 4.2Å; I101-R105 HydrophobicContact CG1-CG 4.31Å; I101-R105 WeakPolarHBondContact O-CB 3.19Å; I101-R105 PolarHBondContact O-N 2.75Å
102E88.9Confident88.4Confident47 Ų4746 Ų4622%0.2224%0.235CC..Hα-helixtrans-70.2-35178.5-66.6175.7141.600111.6E99 P100 A106 S107 N108E99-E102 HydrophobicContact CB-CG 3.89Å; E99-E102 PolarHBondContact N-OE2 2.78Å; E99-E102 WeakPolarHBondContact O-CB 3.21Å; E99-E102 PolarHBondContact O-N 3.11Å; P100-E102 VanDerWaalsContact C-N 3.3Å; P100-E102 PolarHBondContact O-N 3.47Å; E102-A106 CarbonylContact O-C 3.59Å; E102-A106 WeakPolarHBondContact O-CA 3.32Å; E102-A106 PolarHBondContact O-N 2.86Å; E102-A106 VanDerWaalsContact O-N 3.13Å; E102-S107 WeakPolarHBondContact CA-OG 3.49Å; E102-S107 PolarHBondContact O-N 2.84Å; E102-N108 HydrophobicContact CB-CB 3.89Å; E102-N108 HydrophobicContact CG-CB 4.2Å
103I91.2Very high88.3Confident4 Ų445.6 Ų45.62%0.02123%0.233CC..Hα-helixtrans-71.4-48.7173.9-64.9167.8000109.4L47 I79 L83 C98 E99 P100 I101 R105 A106 L112L47-I103 HydrophobicContact CD1-CG2 4.41Å; I79-I103 HydrophobicContact CD1-CB 4.05Å; I79-I103 HydrophobicContact CD1-CG2 3.75Å; I79-I103 HydrophobicContact CG1-CG2 4.14Å; I79-I103 HydrophobicContact CG2-CB 4.1Å; I79-I103 HydrophobicContact CG2-CD1 3.47Å; I79-I103 VanDerWaalsContact CG2-CD1 3.47Å; I79-I103 HydrophobicContact CG2-CG1 4.34Å; I79-I103 HydrophobicContact CG2-CG2 4.31Å; L83-I103 HydrophobicContact CD1-CD1 4.28Å; L83-I103 HydrophobicContact CD2-CD1 4.19Å; L83-I103 HydrophobicContact CG-CD1 4.48Å; C98-I103 HydrophobicContact CB-CD1 3.78Å; C98-I103 HydrophobicContact CB-CG1 3.75Å; E99-I103 PolarHBondContact O-N 2.88Å; P100-I103 PolarHBondContact O-N 3.42Å; I101-I103 VanDerWaalsContact C-N 3.34Å; I103-R105 VanDerWaalsContact C-N 3.34Å; I103-R105 PolarHBondContact O-N 3.4Å; I103-A106 PolarHBondContact O-N 3.48Å; I103-L112 HydrophobicContact CD1-CD1 3.83Å; I103-L112 HydrophobicContact CG1-CB 4.35Å; I103-L112 HydrophobicContact CG1-CD1 4.13Å; I103-L112 HydrophobicContact CG1-CD2 4.22Å; I103-L112 HydrophobicContact CG1-CG 4.46Å; I103-L112 HydrophobicContact CG2-CD2 3.98Å
104Y88.8Confident88.2Confident29 Ų2941.6 Ų41.611%0.11422%0.215CC..Hα-helixtrans-60.6-39-179.4176.8-100.2000113.4R42 Q72 C75 P100 I101 A106 L166R42-Y104 WeakPolarHBondContact CD-O 3.38Å; R42-Y104 HydrophobicContact CG-CD2 4.17Å; R42-Y104 VanDerWaalsContact CG-O 3.26Å; R42-Y104 WeakPolarHBondContact CG-O 3.38Å; R42-Y104 PolarHBondContact NE-O 3.04Å; Q72-Y104 HydrophobicContact CB-CE1 3.96Å; Q72-Y104 HydrophobicContact CB-CE2 4.36Å; Q72-Y104 HydrophobicContact CG-CD1 3.94Å; Q72-Y104 HydrophobicContact CG-CE1 3.51Å; Q72-Y104 HydrophobicContact CG-CE2 4.42Å; C75-Y104 HydrophobicContact CB-CD2 3.48Å; C75-Y104 VanDerWaalsContact CB-CD2 3.48Å; C75-Y104 HydrophobicContact CB-CE2 3.66Å; P100-Y104 PolarHBondContact O-N 3.49Å; P100-Y104 VanDerWaalsContact O-N 3.09Å; I101-Y104 HydrophobicContact CD1-CD1 4.06Å; I101-Y104 PolarHBondContact O-N 2.91Å; Y104-A106 VanDerWaalsContact C-N 3.32Å; Y104-L166 HydrophobicContact CE2-CD1 4.27Å
105R85.8Confident88.4Confident78 Ų7837 Ų3729%0.29419%0.188SC..THydrogen-bonded Turntrans-87.9-1.6176.4-64.8-173-179158.5-0.5113.5I101 I103 S107 D441I101-R105 HydrophobicContact CD1-CG 4.2Å; I101-R105 HydrophobicContact CG1-CG 4.31Å; I101-R105 WeakPolarHBondContact O-CB 3.19Å; I101-R105 PolarHBondContact O-N 2.75Å; I103-R105 VanDerWaalsContact C-N 3.34Å; I103-R105 PolarHBondContact O-N 3.4Å; R105-S107 PolarHBondContact O-N 3.31Å; R105-S107 VanDerWaalsContact O-N 3.07Å; R105-D441 IonicContact CZ-OD2 3.83Å; R105-D441 VanDerWaalsContact NH2-CG 3.31Å; R105-D441 IonicContact NH2-OD1 2.73Å; R105-D441 IonicContact NH2-OD2 3.69Å; R105-D441 PolarHBondContact NH2-OD2 2.89Å
106A85.9Confident88.7Confident2 Ų230.4 Ų30.42%0.01715%0.152CC..THydrogen-bonded Turntrans50.127.8-169.700000113.6E102 I103 Y104 N108 F109 L157 A161E102-A106 CarbonylContact O-C 3.59Å; E102-A106 WeakPolarHBondContact O-CA 3.32Å; E102-A106 PolarHBondContact O-N 2.86Å; E102-A106 VanDerWaalsContact O-N 3.13Å; I103-A106 PolarHBondContact O-N 3.48Å; Y104-A106 VanDerWaalsContact C-N 3.32Å; A106-N108 VanDerWaalsContact C-N 3.31Å; A106-N108 PolarHBondContact O-N 3.35Å; A106-F109 HydrophobicContact CB-CD2 4.42Å; A106-L157 HydrophobicContact CB-CD2 3.89Å; A106-L157 HydrophobicContact CB-CG 3.94Å; A106-A161 HydrophobicContact CB-CB 3.93Å
107S84.2Confident89Confident61 Ų6129.3 Ų29.343%0.42715%0.147SC..THydrogen-bonded Turntrans-76.7-20-17665.10000113.1E102 R105E102-S107 WeakPolarHBondContact CA-OG 3.49Å; E102-S107 PolarHBondContact O-N 2.84Å; R105-S107 PolarHBondContact O-N 3.31Å; R105-S107 VanDerWaalsContact O-N 3.07Å
108N83.4Confident89.1Confident48 Ų4832.1 Ų32.126%0.25716%0.158SC..THydrogen-bonded Turntrans-136.246.1176.5-156.7-7.4000111.7E102 A106 G110 K111 L112E102-N108 HydrophobicContact CB-CB 3.89Å; E102-N108 HydrophobicContact CG-CB 4.2Å; A106-N108 VanDerWaalsContact C-N 3.31Å; A106-N108 PolarHBondContact O-N 3.35Å; N108-G110 PolarHBondContact O-N 3.18Å; N108-K111 HydrophobicContact CB-CB 4.41Å; N108-K111 WeakPolarHBondContact O-CB 3.31Å; N108-K111 PolarHBondContact O-N 2.83Å; N108-K111 VanDerWaalsContact OD1-CB 3.32Å; N108-K111 WeakPolarHBondContact OD1-CB 3.25Å; N108-L112 PolarHBondContact O-N 3.45Å
109F87.2Confident89.4Confident3 Ų331.8 Ų31.81%0.01316%0.156CC..Hα-helixtrans-61.8-28.5-174.7-162.3-95.6000113.3L34 F37 A38 L41 A106 L112 L113 Y154 L157L34-F109 HydrophobicContact CD1-CD1 3.93Å; L34-F109 HydrophobicContact CD1-CE1 3.66Å; F37-F109 HydrophobicContact CD1-CE1 4.02Å; F37-F109 AromaticContact CD1-CZ 3.8Å; F37-F109 HydrophobicContact CD1-CZ 3.8Å; F37-F109 HydrophobicContact CE1-CE1 4.36Å; F37-F109 HydrophobicContact CE1-CZ 4.13Å; A38-F109 VanDerWaalsContact CA-CE2 3.5Å; A38-F109 HydrophobicContact CB-CD2 3.94Å; A38-F109 HydrophobicContact CB-CE2 3.58Å; A38-F109 HydrophobicContact CB-CZ 3.92Å; L41-F109 HydrophobicContact CD1-CE2 4.46Å; L41-F109 HydrophobicContact CD1-CZ 4.17Å; A106-F109 HydrophobicContact CB-CD2 4.42Å; F109-L112 HydrophobicContact CD2-CD2 4.02Å; F109-L112 HydrophobicContact CE2-CD2 3.74Å; F109-L112 HydrophobicContact CZ-CD2 4.38Å; F109-L112 WeakPolarHBondContact O-CB 3.38Å; F109-L112 PolarHBondContact O-N 2.79Å; F109-L113 HydrophobicContact CD1-CD1 4.1Å; F109-L113 HydrophobicContact CD1-CG 4.13Å; F109-L113 HydrophobicContact CE1-CD1 4.1Å; F109-L113 HydrophobicContact CE1-CD2 4.1Å; F109-L113 HydrophobicContact CE1-CG 3.97Å; F109-L113 PolarHBondContact O-N 3.33Å; F109-L113 VanDerWaalsContact O-N 3.08Å; F109-Y154 HydrophobicContact CB-CD1 4.33Å; F109-Y154 HydrophobicContact CD1-CD1 4.07Å; F109-Y154 HydrophobicContact CD1-CE1 4.11Å; F109-L157 HydrophobicContact CB-CD2 3.63Å; F109-L157 HydrophobicContact CD1-CD2 4.05Å; F109-L157 HydrophobicContact CD2-CD2 4.11Å; F109-L157 HydrophobicContact CG-CD2 3.65Å
110G86Confident89.7Confident0 Ų025.7 Ų25.70%013%0.128CC..Hα-helixtrans-59.9-43.817200000112.3N108 L112 L113 L114 Y149N108-G110 PolarHBondContact O-N 3.18Å; G110-L112 VanDerWaalsContact C-N 3.29Å; G110-L112 PolarHBondContact O-N 3.47Å; G110-L113 PolarHBondContact O-N 3.32Å; G110-L114 PolarHBondContact O-N 3.02Å; G110-L114 VanDerWaalsContact O-N 3.07Å; G110-Y149 WeakPolarHBondContact O-CD1 3.44Å
111K88.2Confident89.7Confident58 Ų5827.9 Ų27.925%0.25214%0.135SC..Hα-helixtrans-62.7-37175.7-167.4-179.7-170.6-171.60111.7D95 L97 C98 N108 L113 L114 T115D95-K111 WeakPolarHBondContact O-CE 3.46Å; D95-K111 PolarHBondContact O-NZ 3.47Å; L97-K111 VanDerWaalsContact O-CE 3.22Å; L97-K111 WeakPolarHBondContact O-CE 3.35Å; L97-K111 PolarHBondContact O-NZ 2.85Å; C98-K111 VanDerWaalsContact SG-CB 3.57Å; C98-K111 VanDerWaalsContact SG-CG 3.57Å; N108-K111 HydrophobicContact CB-CB 4.41Å; N108-K111 WeakPolarHBondContact O-CB 3.31Å; N108-K111 PolarHBondContact O-N 2.83Å; N108-K111 VanDerWaalsContact OD1-CB 3.32Å; N108-K111 WeakPolarHBondContact OD1-CB 3.25Å; K111-L113 PolarHBondContact O-N 2.83Å; K111-L114 WeakPolarHBondContact O-CB 3.34Å; K111-L114 PolarHBondContact O-N 3.23Å; K111-T115 PolarHBondContact O-N 2.81Å; K111-T115 PolarHBondContact O-OG1 3.21Å
112L91.6Very high90Very high0 Ų025.9 Ų25.90%013%0.127CC..Hα-helixtrans-61.8-44.2175.3173.662.8000111.6L41 F82 C98 I103 N108 F109 G110 L114 T115 L116L41-L112 HydrophobicContact CD1-CD2 4.21Å; F82-L112 HydrophobicContact CE1-CD1 4.32Å; C98-L112 VanDerWaalsContact SG-CA 3.55Å; C98-L112 PolarHBondContact SG-N 2.9Å; I103-L112 HydrophobicContact CD1-CD1 3.83Å; I103-L112 HydrophobicContact CG1-CB 4.35Å; I103-L112 HydrophobicContact CG1-CD1 4.13Å; I103-L112 HydrophobicContact CG1-CD2 4.22Å; I103-L112 HydrophobicContact CG1-CG 4.46Å; I103-L112 HydrophobicContact CG2-CD2 3.98Å; N108-L112 PolarHBondContact O-N 3.45Å; F109-L112 HydrophobicContact CD2-CD2 4.02Å; F109-L112 HydrophobicContact CE2-CD2 3.74Å; F109-L112 HydrophobicContact CZ-CD2 4.38Å; F109-L112 WeakPolarHBondContact O-CB 3.38Å; F109-L112 PolarHBondContact O-N 2.79Å; G110-L112 VanDerWaalsContact C-N 3.29Å; G110-L112 PolarHBondContact O-N 3.47Å; L112-L114 VanDerWaalsContact C-N 3.29Å; L112-L114 PolarHBondContact O-N 3.49Å; L112-T115 WeakPolarHBondContact O-CB 3.2Å; L112-T115 PolarHBondContact O-N 2.87Å; L112-L116 HydrophobicContact CD1-CD1 4.24Å; L112-L116 HydrophobicContact CD1-CG 4.19Å; L112-L116 HydrophobicContact CG-CD1 4.17Å; L112-L116 WeakPolarHBondContact O-CG 3.38Å; L112-L116 PolarHBondContact O-N 3.34Å
113L90.9Very high90.1Very high2 Ų233.1 Ų33.11%0.0116%0.157CC..Hα-helixtrans-61.1-39.6176-70.4174000111.7W8 C11 F37 F109 G110 K111 L116 S117 Y149 Y154W8-L113 HydrophobicContact CB-CD1 4.12Å; W8-L113 HydrophobicContact CB-CD2 4.25Å; C11-L113 HydrophobicContact CB-CD2 3.98Å; F37-L113 HydrophobicContact CE1-CD2 4Å; F109-L113 HydrophobicContact CD1-CD1 4.1Å; F109-L113 HydrophobicContact CD1-CG 4.13Å; F109-L113 HydrophobicContact CE1-CD1 4.1Å; F109-L113 HydrophobicContact CE1-CD2 4.1Å; F109-L113 HydrophobicContact CE1-CG 3.97Å; F109-L113 PolarHBondContact O-N 3.33Å; F109-L113 VanDerWaalsContact O-N 3.08Å; G110-L113 PolarHBondContact O-N 3.32Å; K111-L113 PolarHBondContact O-N 2.83Å; L113-L116 PolarHBondContact O-N 3.17Å; L113-S117 WeakPolarHBondContact O-CB 3.46Å; L113-S117 PolarHBondContact O-N 3.06Å; L113-Y149 HydrophobicContact CB-CD1 4.08Å; L113-Y149 HydrophobicContact CB-CE1 3.74Å; L113-Y154 HydrophobicContact CD1-CE1 3.66Å; L113-Y154 WeakPolarHBondContact CD1-OH 3.32Å
114L89.5Confident90Very high41 Ų4135.2 Ų35.222%0.21517%0.168CC..Hα-helixtrans-63.2-44.2173.1178.763.8000111.7G110 K111 L112 L116 S117 K118 Y149G110-L114 PolarHBondContact O-N 3.02Å; G110-L114 VanDerWaalsContact O-N 3.07Å; K111-L114 WeakPolarHBondContact O-CB 3.34Å; K111-L114 PolarHBondContact O-N 3.23Å; L112-L114 VanDerWaalsContact C-N 3.29Å; L112-L114 PolarHBondContact O-N 3.49Å; L114-L116 VanDerWaalsContact C-N 3.33Å; L114-L116 PolarHBondContact O-N 2.9Å; L114-S117 WeakPolarHBondContact O-CB 3.43Å; L114-S117 PolarHBondContact O-N 3.27Å; L114-K118 PolarHBondContact O-N 2.93Å; L114-Y149 HydrophobicContact CB-CD1 4.28Å; L114-Y149 HydrophobicContact CB-CD2 4.21Å; L114-Y149 HydrophobicContact CB-CE1 4.11Å; L114-Y149 HydrophobicContact CB-CE2 4.06Å; L114-Y149 HydrophobicContact CB-CG 4.3Å; L114-Y149 HydrophobicContact CD1-CD2 4.38Å; L114-Y149 HydrophobicContact CD1-CE2 3.76Å; L114-Y149 HydrophobicContact CG-CE2 4.4Å
115T92.8Very high90.2Very high0 Ų034 Ų340%016%0.164CC..Hα-helixtrans-56.8-46.9174.7-53.30000110.9L92 D96 L97 K111 L112 K118 L119L92-T115 HydrophobicContact CD2-CG2 3.82Å; D96-T115 PolarHBondContact O-OG1 3.21Å; L97-T115 HydrophobicContact CD2-CG2 3.81Å; K111-T115 PolarHBondContact O-N 2.81Å; K111-T115 PolarHBondContact O-OG1 3.21Å; L112-T115 WeakPolarHBondContact O-CB 3.2Å; L112-T115 PolarHBondContact O-N 2.87Å; T115-K118 PolarHBondContact O-N 3.48Å; T115-L119 WeakPolarHBondContact O-CB 3.43Å; T115-L119 PolarHBondContact O-N 3.37Å
116L94.3Very high90.5Very high0 Ų034.2 Ų34.20%017%0.17CC..Hα-helixtrans-66.8-37.7178.7-69.3173.7000112.2W14 L41 L47 L50 F82 L112 L113 L114 L119 S120 F133W14-L116 HydrophobicContact CZ3-CD2 4.42Å; L41-L116 HydrophobicContact CD1-CD1 4.22Å; L47-L116 HydrophobicContact CD2-CD1 4.45Å; L47-L116 HydrophobicContact CD2-CD2 4.08Å; L50-L116 HydrophobicContact CD2-CD2 3.9Å; F82-L116 HydrophobicContact CE2-CD2 4.3Å; F82-L116 HydrophobicContact CZ-CD2 3.85Å; L112-L116 HydrophobicContact CD1-CD1 4.24Å; L112-L116 HydrophobicContact CD1-CG 4.19Å; L112-L116 HydrophobicContact CG-CD1 4.17Å; L112-L116 WeakPolarHBondContact O-CG 3.38Å; L112-L116 PolarHBondContact O-N 3.34Å; L113-L116 PolarHBondContact O-N 3.17Å; L114-L116 VanDerWaalsContact C-N 3.33Å; L114-L116 PolarHBondContact O-N 2.9Å; L116-L119 HydrophobicContact CD2-CD2 4.29Å; L116-L119 PolarHBondContact O-N 3.49Å; L116-S120 WeakPolarHBondContact O-CB 3.16Å; L116-S120 PolarHBondContact O-N 3.44Å; L116-F133 VanDerWaalsContact C-CE1 3.42Å; L116-F133 VanDerWaalsContact C-CZ 3.5Å; L116-F133 HydrophobicContact CB-CE1 3.96Å; L116-F133 HydrophobicContact CB-CZ 3.71Å; L116-F133 WeakPolarHBondContact O-CE1 3.46Å
117S93.1Very high90.7Very high8 Ų838.2 Ų38.26%0.05620%0.199CC..Hα-helixtrans-60.1-48.9174.31710000110.6L113 L114 S120 H121 F133L113-S117 WeakPolarHBondContact O-CB 3.46Å; L113-S117 PolarHBondContact O-N 3.06Å; L114-S117 WeakPolarHBondContact O-CB 3.43Å; L114-S117 PolarHBondContact O-N 3.27Å; S117-S120 PolarHBondContact O-N 3.14Å; S117-S120 PolarHBondContact O-OG 2.91Å; S117-H121 PolarHBondContact O-N 3.19Å; S117-H121 PolarHBondContact O-ND1 3.5Å; S117-F133 VanDerWaalsContact CA-CZ 3.48Å; S117-F133 PolarHBondContact OG-O 3.3Å; S117-F133 VanDerWaalsContact OG-O 3.1Å
118K92.5Very high90.8Very high81 Ų8137.5 Ų37.535%0.35219%0.194SC..Hα-helixtrans-63.2-41.4175.9-72.1-173.5171.5-165.20112.4L92 D96 L114 T115 S120 H121 S122L92-K118 HydrophobicContact CD2-CB 4.35Å; D96-K118 HydrophobicContact CB-CD 3.95Å; D96-K118 IonicContact OD1-NZ 3.61Å; D96-K118 PolarHBondContact OD1-NZ 2.98Å; D96-K118 WeakPolarHBondContact OD2-CD 3.43Å; D96-K118 IonicContact OD2-NZ 2.68Å; D96-K118 PolarHBondContact OD2-NZ 2.83Å; L114-K118 PolarHBondContact O-N 2.93Å; T115-K118 PolarHBondContact O-N 3.48Å; K118-S120 VanDerWaalsContact C-N 3.33Å; K118-S120 PolarHBondContact O-N 3.48Å; K118-H121 PolarHBondContact O-N 3.47Å; K118-S122 PolarHBondContact O-N 3.06Å; K118-S122 VanDerWaalsContact O-N 3.13Å
119L94.5Very high91.1Very high0 Ų038.6 Ų38.60%022%0.216CC..Hα-helixtrans-58-45.9174.5179.164.1000111.2W14 L50 L54 F82 F90 L92 T115 L116 H121 S122 A125W14-L119 HydrophobicContact CH2-CD2 4.39Å; L50-L119 HydrophobicContact CD2-CD2 4.35Å; L54-L119 HydrophobicContact CD1-CD2 4.13Å; L54-L119 HydrophobicContact CD1-CG 4.11Å; F82-L119 HydrophobicContact CE2-CD2 4.04Å; F82-L119 HydrophobicContact CZ-CD2 4.48Å; F90-L119 HydrophobicContact CB-CD1 3.65Å; F90-L119 HydrophobicContact CD1-CD1 3.45Å; F90-L119 VanDerWaalsContact CD1-CD1 3.45Å; F90-L119 HydrophobicContact CD2-CD1 3.97Å; F90-L119 HydrophobicContact CE1-CD1 4.04Å; F90-L119 HydrophobicContact CG-CD1 3.39Å; L92-L119 HydrophobicContact CD1-CD1 4.23Å; L92-L119 HydrophobicContact CD2-CB 4.35Å; T115-L119 WeakPolarHBondContact O-CB 3.43Å; T115-L119 PolarHBondContact O-N 3.37Å; L116-L119 HydrophobicContact CD2-CD2 4.29Å; L116-L119 PolarHBondContact O-N 3.49Å; L119-H121 PolarHBondContact O-N 2.87Å; L119-S122 VanDerWaalsContact O-CB 3.29Å; L119-S122 WeakPolarHBondContact O-CB 3.13Å; L119-S122 PolarHBondContact O-N 3.25Å; L119-S122 PolarHBondContact O-OG 3.34Å; L119-A125 WeakPolarHBondContact O-CB 3.49Å
120S94.7Very high91.1Very high0 Ų039.8 Ų39.80%022%0.223CC..Hα-helixtrans-62.7-26.5-179.182.80000113.7W14 L116 S117 K118 G132 F133W14-S120 VanDerWaalsContact CE2-CB 3.43Å; L116-S120 WeakPolarHBondContact O-CB 3.16Å; L116-S120 PolarHBondContact O-N 3.44Å; S117-S120 PolarHBondContact O-N 3.14Å; S117-S120 PolarHBondContact O-OG 2.91Å; K118-S120 VanDerWaalsContact C-N 3.33Å; K118-S120 PolarHBondContact O-N 3.48Å; S120-G132 WeakPolarHBondContact OG-CA 3.27Å; S120-F133 WeakPolarHBondContact OG-CD1 3.33Å; S120-F133 PolarHBondContact OG-N 3.44Å; S120-F133 PolarHBondContact OG-O 2.82Å
121H92.9Very high91.3Very high69 Ų6942.6 Ų42.632%0.31924%0.243SC..THydrogen-bonded Turntrans-96.4-0.6177.5-70.9103000114S117 K118 L119 F133S117-H121 PolarHBondContact O-N 3.19Å; S117-H121 PolarHBondContact O-ND1 3.5Å; K118-H121 PolarHBondContact O-N 3.47Å; L119-H121 PolarHBondContact O-N 2.87Å; H121-F133 VanDerWaalsContact CE1-C 3.48Å; H121-F133 PolarHBondContact CE1-O 3.17Å; H121-F133 PolarHBondContact ND1-O 2.82Å
122S92.8Very high91.4Very high13 Ų1340.1 Ų40.19%0.09123%0.234CC..SBendtrans-64.7148.5175.670.10000110.7F90 K118 L119 L124 A125 L126F90-S122 WeakPolarHBondContact CD1-OG 3.49Å; K118-S122 PolarHBondContact O-N 3.06Å; K118-S122 VanDerWaalsContact O-N 3.13Å; L119-S122 VanDerWaalsContact O-CB 3.29Å; L119-S122 WeakPolarHBondContact O-CB 3.13Å; L119-S122 PolarHBondContact O-N 3.25Å; L119-S122 PolarHBondContact O-OG 3.34Å; S122-L124 PolarHBondContact O-N 2.99Å; S122-A125 PolarHBondContact O-N 3Å; S122-A125 VanDerWaalsContact O-N 3.15Å; S122-A125 WeakPolarHBondContact OG-CB 3.3Å; S122-A125 PolarHBondContact OG-N 2.79Å; S122-L126 WeakPolarHBondContact O-CG 3.34Å; S122-L126 PolarHBondContact O-N 3.1Å
123K91.3Very high91.4Very high198 Ų19840.2 Ų40.286%0.86124%0.235SC*.Hα-helixtrans-54.6-40.1-179.9-66.2-178.9-179.9177.50112.2S127K123-S127 PolarHBondContact O-N 2.91Å
124L90.7Very high91.2Very high49 Ų4940.4 Ų40.426%0.25724%0.236SC..Hα-helixtrans-70.5-42.6-179.4-17262.2000111.5N55 F90 S122 L126 S127N55-L124 HydrophobicContact CB-CD1 4.5Å; N55-L124 HydrophobicContact CB-CD2 3.94Å; N55-L124 HydrophobicContact CB-CG 4.16Å; F90-L124 HydrophobicContact CD1-CB 3.85Å; F90-L124 HydrophobicContact CD1-CD2 3.95Å; F90-L124 HydrophobicContact CD1-CG 4.15Å; F90-L124 HydrophobicContact CD2-CD2 4.42Å; F90-L124 HydrophobicContact CE1-CB 3.98Å; F90-L124 HydrophobicContact CE1-CD2 3.78Å; F90-L124 HydrophobicContact CE1-CG 3.85Å; F90-L124 HydrophobicContact CE2-CD2 4.2Å; F90-L124 HydrophobicContact CG-CD2 4.29Å; F90-L124 HydrophobicContact CZ-CD2 3.91Å; F90-L124 HydrophobicContact CZ-CG 4.35Å; S122-L124 PolarHBondContact O-N 2.99Å; L124-L126 PolarHBondContact O-N 3.41Å; L124-S127 WeakPolarHBondContact O-CB 3.15Å; L124-S127 PolarHBondContact O-N 3.08Å; L124-S127 PolarHBondContact O-OG 3.22Å
125A91.7Very high90.4Very high2 Ų245.2 Ų45.22%0.01726%0.257CS..Hα-helixtrans-62.6-44.1175.800000112L54 F90 L119 S122 S127 S128L54-A125 HydrophobicContact CD1-CB 4.13Å; L54-A125 HydrophobicContact CD2-CB 4.09Å; F90-A125 HydrophobicContact CD1-CB 4.49Å; F90-A125 HydrophobicContact CE1-CB 4.33Å; L119-A125 WeakPolarHBondContact O-CB 3.49Å; S122-A125 PolarHBondContact O-N 3Å; S122-A125 VanDerWaalsContact O-N 3.15Å; S122-A125 WeakPolarHBondContact OG-CB 3.3Å; S122-A125 PolarHBondContact OG-N 2.79Å; A125-S127 PolarHBondContact O-N 2.82Å; A125-S128 VanDerWaalsContact O-CB 3.27Å; A125-S128 WeakPolarHBondContact O-CB 3.22Å; A125-S128 PolarHBondContact O-N 3.06Å; A125-S128 PolarHBondContact O-OG 3.1Å
126L91.9Very high89Confident83 Ų8349.1 Ų49.144%0.43528%0.284SS..Hα-helixtrans-63.5-27.1178-66.9173.3000112.6S122 L124 S128 G129S122-L126 WeakPolarHBondContact O-CG 3.34Å; S122-L126 PolarHBondContact O-N 3.1Å; L124-L126 PolarHBondContact O-N 3.41Å; L126-S128 PolarHBondContact O-N 3.02Å; L126-G129 PolarHBondContact O-N 2.88Å; L126-G129 VanDerWaalsContact O-N 3.11Å
127S90.4Very high86.8Confident87 Ų8753 Ų5361%0.60831%0.305SS*.Hα-helixtrans-66.1-17.617581.50000113.8K123 L124 A125 G129K123-S127 PolarHBondContact O-N 2.91Å; L124-S127 WeakPolarHBondContact O-CB 3.15Å; L124-S127 PolarHBondContact O-N 3.08Å; L124-S127 PolarHBondContact O-OG 3.22Å; A125-S127 PolarHBondContact O-N 2.82Å; S127-G129 PolarHBondContact O-N 2.9Å
128S87.1Confident84.5Confident46 Ų4659.5 Ų59.532%0.32234%0.339SS..THydrogen-bonded Turntrans-71.4-11.1172.973.80000113.7A125 L126 V130A125-S128 VanDerWaalsContact O-CB 3.27Å; A125-S128 WeakPolarHBondContact O-CB 3.22Å; A125-S128 PolarHBondContact O-N 3.06Å; A125-S128 PolarHBondContact O-OG 3.1Å; L126-S128 PolarHBondContact O-N 3.02Å; S128-V130 VanDerWaalsContact C-N 3.34Å; S128-V130 PolarHBondContact OG-N 3.48Å
129G88.7Confident82.2Confident71 Ų7162.7 Ų62.773%0.73236%0.355SS*.THydrogen-bonded Turntrans84.42.5-176.700000114.7L126 S127L126-G129 PolarHBondContact O-N 2.88Å; L126-G129 VanDerWaalsContact O-N 3.11Å; S127-G129 PolarHBondContact O-N 2.9Å
130V88.4Confident79.6Confident27 Ų2770.4 Ų70.416%0.16440%0.397CS..  trans-94.2127.7175.9-173.60000110R17 S128R17-V130 HydrophobicContact CB-CG1 3.79Å; S128-V130 VanDerWaalsContact C-N 3.34Å; S128-V130 PolarHBondContact OG-N 3.48Å
131S90.3Very high77.3Confident59 Ų5975.6 Ų75.641%0.41343%0.425SS..  trans-67.6145.6175.351.70000112W14 R17W14-S131 PolarHBondContact NE1-O 2.85Å; R17-S131 PolarHBondContact NH1-OG 2.84Å; R17-S131 VanDerWaalsContact NH1-OG 3.1Å; R17-S131 PolarHBondContact NH2-O 3.03Å
132G90Very high75Confident6 Ų679.7 Ų79.76%0.06245%0.449CS..  trans-65.7177176.900000113.8R17 S120R17-G132 PolarHBondContact NH2-O 3.02Å; S120-G132 WeakPolarHBondContact OG-CA 3.27Å
133F91.3Very high72.8Confident3 Ų386.4 Ų86.41%0.01348%0.484CS..SBendtrans-134.8144.5170.881.7-83.6000110C11 W14 L116 S117 S120 H121C11-F133 HydrophobicContact CB-CD2 4.11Å; C11-F133 HydrophobicContact CB-CE1 4.29Å; C11-F133 HydrophobicContact CB-CE2 3.6Å; C11-F133 HydrophobicContact CB-CZ 3.7Å; C11-F133 WeakPolarHBondContact SG-CZ 3.4Å; W14-F133 HydrophobicContact CB-CB 4.21Å; W14-F133 HydrophobicContact CB-CD1 3.9Å; W14-F133 HydrophobicContact CB-CG 4.28Å; W14-F133 AromaticContact CD2-CD1 3.64Å; W14-F133 HydrophobicContact CD2-CD1 3.64Å; W14-F133 AromaticContact CD2-CE1 3.97Å; W14-F133 HydrophobicContact CD2-CE1 3.97Å; W14-F133 AromaticContact CE3-CD1 3.7Å; W14-F133 HydrophobicContact CE3-CD1 3.7Å; W14-F133 AromaticContact CE3-CE1 3.53Å; W14-F133 HydrophobicContact CE3-CE1 3.53Å; W14-F133 AromaticContact CG-CD1 3.73Å; W14-F133 HydrophobicContact CG-CD1 3.73Å; W14-F133 HydrophobicContact CG-CE1 4.48Å; W14-F133 HydrophobicContact CG-CG 4.49Å; W14-F133 HydrophobicContact CZ3-CD1 4.42Å; W14-F133 AromaticContact CZ3-CE1 3.91Å; W14-F133 HydrophobicContact CZ3-CE1 3.91Å; L116-F133 VanDerWaalsContact C-CE1 3.42Å; L116-F133 VanDerWaalsContact C-CZ 3.5Å; L116-F133 HydrophobicContact CB-CE1 3.96Å; L116-F133 HydrophobicContact CB-CZ 3.71Å; L116-F133 WeakPolarHBondContact O-CE1 3.46Å; S117-F133 VanDerWaalsContact CA-CZ 3.48Å; S117-F133 PolarHBondContact OG-O 3.3Å; S117-F133 VanDerWaalsContact OG-O 3.1Å; S120-F133 WeakPolarHBondContact OG-CD1 3.33Å; S120-F133 PolarHBondContact OG-N 3.44Å; S120-F133 PolarHBondContact OG-O 2.82Å; H121-F133 VanDerWaalsContact CE1-C 3.48Å; H121-F133 PolarHBondContact CE1-O 3.17Å; H121-F133 PolarHBondContact ND1-O 2.82Å
134P85.7Confident70.6Confident6 Ų679.3 Ų79.34%0.03946%0.462CS..SBendcis-66.6158.6-7.832.1-37.9000112.5F7F7-P134 HydrophobicContact CE1-CB 3.96Å; F7-P134 HydrophobicContact CE1-CG 4.01Å
135E72.5Confident68.7Low142 Ų14281.6 Ų81.666%0.66447%0.471SS*.SBendtrans-75.5-30.3-178.6-65.4-172.7163.300113.2R17R17-E135 IonicContact CZ-OE1 3.8Å; R17-E135 IonicContact NH1-OE1 2.59Å; R17-E135 PolarHBondContact NH1-OE1 2.74Å; R17-E135 IonicContact NH2-OE1 2.75Å
136S63.9Low66.7Low81 Ų8185.2 Ų85.257%0.56649%0.494SS*.  trans-92.3102.5175.454.40000110.2D138S136-D138 VanDerWaalsContact C-N 3.32Å; S136-D138 PolarHBondContact O-N 2.84Å
137N49Very low64.9Low83 Ų8385.2 Ų85.244%0.44450%0.502SS..  trans-76.883.8161.5-103.8-3.6000107.8Q139N137-Q139 HydrophobicContact CB-CG 3.85Å; N137-Q139 PolarHBondContact ND2-NE2 3.47Å; N137-Q139 PolarHBondContact O-N 3.19Å
138D44.7Very low63.4Low143 Ų14382.4 Ų82.477%0.76548%0.478SS*.  trans-70.381.9157.6-75.3-30.5000106.6S136 D140S136-D138 VanDerWaalsContact C-N 3.32Å; S136-D138 PolarHBondContact O-N 2.84Å; D138-D140 PolarHBondContact O-N 3.06Å; D138-D140 VanDerWaalsContact O-N 3.16Å
139Q42.9Very low62.1Low148 Ų14881 Ų8169%0.69247%0.466SS*.THydrogen-bonded Turntrans-72.99.2-175.4-96.2170.6-14.400113.7N137N137-Q139 HydrophobicContact CB-CG 3.85Å; N137-Q139 PolarHBondContact ND2-NE2 3.47Å; N137-Q139 PolarHBondContact O-N 3.19Å
140D41.3Very low60.8Low162 Ų16282.7 Ų82.787%0.86646%0.458SS*.THydrogen-bonded Turntrans-113.52.3-173.4-71.6-33.4000114.8D138D138-D140 PolarHBondContact O-N 3.06Å; D138-D140 VanDerWaalsContact O-N 3.16Å
141D45Very low59.8Low110 Ų11082.7 Ų82.759%0.58846%0.459SS*.  trans-126.168.2178.1-112.2-18.8000111.7D143 A144D141-D143 PolarHBondContact O-N 3.05Å; D141-A144 HydrophobicContact CB-CB 4.2Å; D141-A144 PolarHBondContact O-N 3.41Å; D141-A144 VanDerWaalsContact O-N 3.13Å
142D45.1Very low58.8Low155 Ų15583.7 Ų83.783%0.82946%0.457SS*.THydrogen-bonded Turntrans-55.4-19.9175.5-98.7-30.4000113
143D46Very low58Low154 Ų15486.7 Ų86.782%0.82447%0.471SS*.THydrogen-bonded Turntrans-85.8-14.3-179.4-78-37.6000114.4D141D141-D143 PolarHBondContact O-N 3.05Å
144A46.3Very low57.3Low49 Ų4987 Ų8741%0.40547%0.472SS..THydrogen-bonded Turntrans-94.1-33.4-172.200000114.5D141 S147D141-A144 HydrophobicContact CB-CB 4.2Å; D141-A144 PolarHBondContact O-N 3.41Å; D141-A144 VanDerWaalsContact O-N 3.13Å; A144-S147 PolarHBondContact O-N 2.88Å; A144-S147 PolarHBondContact O-OG 3.24Å
145Q49.6Very low56.6Low96 Ų9694.1 Ų94.145%0.44950%0.498SS..Hα-helixtrans-62.5-38.1-173.9-77.1-140.5-29.900115.7S147 Y149Q145-S147 PolarHBondContact O-N 2.82Å; Q145-Y149 VanDerWaalsContact O-CD2 3.31Å; Q145-Y149 WeakPolarHBondContact O-CD2 3.3Å
146P49.5Very low56.7Low78 Ų7894.6 Ų94.651%0.50649%0.494SS..Hα-helixtrans-67.4-23.5-180-19.832000113.6N150P146-N150 PolarHBondContact O-ND2 3.12Å
147S55.3Low57.6Low84 Ų8491.2 Ų91.259%0.58747%0.469SS*.Hα-helixtrans-73.1-32.3-174.4790000112.9A144 Q145 N150A144-S147 PolarHBondContact O-N 2.88Å; A144-S147 PolarHBondContact O-OG 3.24Å; Q145-S147 PolarHBondContact O-N 2.82Å; S147-N150 PolarHBondContact O-N 2.73Å
148Y59.4Low58.8Low28 Ų2888.1 Ų88.111%0.1146%0.455CS..Hα-helixtrans-69.5-47.5-175.5175.8-102.9000112.8T4 F7 N150 S151 Y154T4-Y148 HydrophobicContact CG2-CD2 4.11Å; T4-Y148 HydrophobicContact CG2-CE2 3.89Å; T4-Y148 WeakPolarHBondContact O-CE2 3.37Å; T4-Y148 PolarHBondContact O-OH 3.37Å; F7-Y148 HydrophobicContact CB-CE1 3.53Å; F7-Y148 WeakPolarHBondContact CB-OH 3.49Å; F7-Y148 HydrophobicContact CD1-CE1 4.49Å; F7-Y148 HydrophobicContact CD2-CD1 4.03Å; F7-Y148 HydrophobicContact CD2-CD2 4.4Å; F7-Y148 AromaticContact CD2-CE1 3.5Å; F7-Y148 HydrophobicContact CD2-CE1 3.5Å; F7-Y148 VanDerWaalsContact CD2-CE1 3.5Å; F7-Y148 AromaticContact CD2-CE2 3.94Å; F7-Y148 HydrophobicContact CD2-CE2 3.94Å; F7-Y148 HydrophobicContact CD2-CG 4.44Å; F7-Y148 AromaticContact CD2-CZ 3.44Å; F7-Y148 VanDerWaalsContact CD2-CZ 3.44Å; F7-Y148 HydrophobicContact CE2-CD1 4.45Å; F7-Y148 HydrophobicContact CE2-CE1 4.33Å; F7-Y148 HydrophobicContact CG-CD1 4.25Å; F7-Y148 AromaticContact CG-CE1 3.59Å; F7-Y148 HydrophobicContact CG-CE1 3.59Å; F7-Y148 AromaticContact CG-CZ 3.89Å; Y148-N150 PolarHBondContact O-N 3.12Å; Y148-N150 VanDerWaalsContact O-N 3.14Å; Y148-S151 WeakPolarHBondContact O-CB 3.4Å; Y148-S151 PolarHBondContact O-N 3.07Å; Y148-S151 PolarHBondContact O-OG 3.4Å; Y148-Y154 HydrophobicContact CE1-CE2 4.04Å; Y148-Y154 WeakPolarHBondContact CE1-OH 3.34Å; Y148-Y154 PolarHBondContact OH-OH 3.35Å
149Y59.8Low60.2Low17 Ų1788.7 Ų88.77%0.06745%0.453CS..Hα-helixtrans-66.4-13.9179.3-60.3-68.9000112.8G110 L113 L114 Q145G110-Y149 WeakPolarHBondContact O-CD1 3.44Å; L113-Y149 HydrophobicContact CB-CD1 4.08Å; L113-Y149 HydrophobicContact CB-CE1 3.74Å; L114-Y149 HydrophobicContact CB-CD1 4.28Å; L114-Y149 HydrophobicContact CB-CD2 4.21Å; L114-Y149 HydrophobicContact CB-CE1 4.11Å; L114-Y149 HydrophobicContact CB-CE2 4.06Å; L114-Y149 HydrophobicContact CB-CG 4.3Å; L114-Y149 HydrophobicContact CD1-CD2 4.38Å; L114-Y149 HydrophobicContact CD1-CE2 3.76Å; L114-Y149 HydrophobicContact CG-CE2 4.4Å; Q145-Y149 VanDerWaalsContact O-CD2 3.31Å; Q145-Y149 WeakPolarHBondContact O-CD2 3.3Å
150N61Low61.7Low106 Ų10684.5 Ų84.557%0.56744%0.438SS*.THydrogen-bonded Turntrans-97.59.3174.9-73.1-48.4000113.9P146 S147 Y148P146-N150 PolarHBondContact O-ND2 3.12Å; S147-N150 PolarHBondContact O-N 2.73Å; Y148-N150 PolarHBondContact O-N 3.12Å; Y148-N150 VanDerWaalsContact O-N 3.14Å
151S67Low63.2Low26 Ų2676.9 Ų76.918%0.18240%0.398CS..  trans-66.1149.4-177.658.90000113.5Y148 I153 Y154Y148-S151 WeakPolarHBondContact O-CB 3.4Å; Y148-S151 PolarHBondContact O-N 3.07Å; Y148-S151 PolarHBondContact O-OG 3.4Å; S151-I153 PolarHBondContact O-N 3.09Å; S151-I153 VanDerWaalsContact O-N 3.1Å; S151-I153 WeakPolarHBondContact OG-CG2 3.47Å; S151-Y154 PolarHBondContact O-N 3.18Å; S151-Y154 VanDerWaalsContact O-N 3.08Å; S151-Y154 WeakPolarHBondContact OG-CD2 3.46Å; S151-Y154 VanDerWaalsContact OG-CE2 3.26Å; S151-Y154 WeakPolarHBondContact OG-CE2 3.35Å
152E68.8Low64.2Low81 Ų8175.9 Ų75.938%0.37939%0.389SS..Hα-helixtrans-55.2-29.8-176.1-177.365.9-168.700113.4Y154 R155 R156E152-Y154 VanDerWaalsContact C-N 3.32Å; E152-Y154 PolarHBondContact O-N 2.69Å; E152-R155 PolarHBondContact O-N 3.42Å; E152-R155 IonicContact OE2-CZ 3.33Å; E152-R155 IonicContact OE2-NH1 3.1Å; E152-R155 PolarHBondContact OE2-NH1 2.77Å; E152-R155 IonicContact OE2-NH2 2.73Å; E152-R156 PolarHBondContact O-N 2.96Å; E152-R156 VanDerWaalsContact O-N 3.14Å; E152-R156 IonicContact OE1-CZ 3.96Å; E152-R156 IonicContact OE1-NE 3.72Å; E152-R156 PolarHBondContact OE1-NE 2.95Å; E152-R156 IonicContact OE1-NH2 3.23Å; E152-R156 PolarHBondContact OE1-NH2 3.08Å
153I73.4Confident65.1Low69 Ų6972.7 Ų72.735%0.35438%0.379SS..Hα-helixtrans-61.4-38.6178.5-168170.7000112.1L34 S151 L157L34-I153 HydrophobicContact CD2-CD1 4.42Å; L34-I153 HydrophobicContact CD2-CG1 4.07Å; S151-I153 PolarHBondContact O-N 3.09Å; S151-I153 VanDerWaalsContact O-N 3.1Å; S151-I153 WeakPolarHBondContact OG-CG2 3.47Å; I153-L157 PolarHBondContact O-N 3.11Å
154Y76.1Confident66.2Low8 Ų869.3 Ų69.33%0.03136%0.357CS..Hα-helixtrans-75.5-31.6177.9-61.6-62.4000112.1L34 F109 L113 Y148 S151 E152 L157L34-Y154 HydrophobicContact CD1-CD1 4.45Å; L34-Y154 HydrophobicContact CD1-CE1 3.88Å; L34-Y154 HydrophobicContact CD2-CD1 3.57Å; L34-Y154 HydrophobicContact CD2-CE1 3.56Å; L34-Y154 HydrophobicContact CG-CE1 4.37Å; F109-Y154 HydrophobicContact CB-CD1 4.33Å; F109-Y154 HydrophobicContact CD1-CD1 4.07Å; F109-Y154 HydrophobicContact CD1-CE1 4.11Å; L113-Y154 HydrophobicContact CD1-CE1 3.66Å; L113-Y154 WeakPolarHBondContact CD1-OH 3.32Å; Y148-Y154 HydrophobicContact CE1-CE2 4.04Å; Y148-Y154 WeakPolarHBondContact CE1-OH 3.34Å; Y148-Y154 PolarHBondContact OH-OH 3.35Å; S151-Y154 PolarHBondContact O-N 3.18Å; S151-Y154 VanDerWaalsContact O-N 3.08Å; S151-Y154 WeakPolarHBondContact OG-CD2 3.46Å; S151-Y154 VanDerWaalsContact OG-CE2 3.26Å; S151-Y154 WeakPolarHBondContact OG-CE2 3.35Å; E152-Y154 VanDerWaalsContact C-N 3.32Å; E152-Y154 PolarHBondContact O-N 2.69Å; Y154-L157 WeakPolarHBondContact O-CB 3.5Å; Y154-L157 PolarHBondContact O-N 3.14Å
155R70.9Confident67Low157 Ų15771.6 Ų71.659%0.59236%0.36SS*.Hα-helixtrans-66.8-38.4175.5-97.8-170-86.9125.30.9112.6E152 L157E152-R155 PolarHBondContact O-N 3.42Å; E152-R155 IonicContact OE2-CZ 3.33Å; E152-R155 IonicContact OE2-NH1 3.1Å; E152-R155 PolarHBondContact OE2-NH1 2.77Å; E152-R155 IonicContact OE2-NH2 2.73Å; R155-L157 VanDerWaalsContact C-N 3.29Å; R155-L157 PolarHBondContact O-N 2.74Å
156R76.1Confident67.7Low152 Ų15267.9 Ų67.957%0.57434%0.343SS*.Hα-helixtrans-73.9-18.7177.3-66.8-178.8-172.5-176.90.5114E152 A158 T160E152-R156 PolarHBondContact O-N 2.96Å; E152-R156 VanDerWaalsContact O-N 3.14Å; E152-R156 IonicContact OE1-CZ 3.96Å; E152-R156 IonicContact OE1-NE 3.72Å; E152-R156 PolarHBondContact OE1-NE 2.95Å; E152-R156 IonicContact OE1-NH2 3.23Å; E152-R156 PolarHBondContact OE1-NH2 3.08Å; R156-A158 VanDerWaalsContact C-N 3.3Å; R156-A158 PolarHBondContact O-N 2.83Å; R156-T160 PolarHBondContact O-OG1 3.03Å
157L81.8Confident68.1Low9 Ų967.1 Ų67.15%0.04733%0.334CS..Hα-helixtrans-61.9-38.9179.2-177.864.9000111.9L34 L35 A38 A106 F109 I153 Y154 R155 E159 T160 A161L34-L157 HydrophobicContact CD2-CD2 4.14Å; L34-L157 HydrophobicContact CG-CD1 4.33Å; L34-L157 HydrophobicContact CG-CD2 4.13Å; L35-L157 HydrophobicContact CB-CD1 4.02Å; L35-L157 HydrophobicContact CD1-CD1 3.8Å; A38-L157 HydrophobicContact CB-CD1 4.08Å; A38-L157 HydrophobicContact CB-CD2 3.75Å; A38-L157 HydrophobicContact CB-CG 4.32Å; A106-L157 HydrophobicContact CB-CD2 3.89Å; A106-L157 HydrophobicContact CB-CG 3.94Å; F109-L157 HydrophobicContact CB-CD2 3.63Å; F109-L157 HydrophobicContact CD1-CD2 4.05Å; F109-L157 HydrophobicContact CD2-CD2 4.11Å; F109-L157 HydrophobicContact CG-CD2 3.65Å; I153-L157 PolarHBondContact O-N 3.11Å; Y154-L157 WeakPolarHBondContact O-CB 3.5Å; Y154-L157 PolarHBondContact O-N 3.14Å; R155-L157 VanDerWaalsContact C-N 3.29Å; R155-L157 PolarHBondContact O-N 2.74Å; L157-E159 PolarHBondContact O-N 2.83Å; L157-T160 PolarHBondContact O-N 3.41Å; L157-A161 VanDerWaalsContact O-CB 3.26Å; L157-A161 WeakPolarHBondContact O-CB 3.31Å; L157-A161 PolarHBondContact O-N 3.37Å
158A75.7Confident68Low18 Ų1865.2 Ų65.215%0.14933%0.328CS..Hα-helixtrans-57.7-48.1-17800000112.5R156 T160 A161 E162R156-A158 VanDerWaalsContact C-N 3.3Å; R156-A158 PolarHBondContact O-N 2.83Å; A158-T160 VanDerWaalsContact C-N 3.27Å; A158-T160 PolarHBondContact O-N 3.09Å; A158-A161 PolarHBondContact O-N 3.17Å; A158-E162 WeakPolarHBondContact O-CG 3.31Å; A158-E162 PolarHBondContact O-N 2.8Å; A158-E162 VanDerWaalsContact O-N 3.12Å
159E72.8Confident67.7Low155 Ų15572.5 Ų72.572%0.72436%0.363SS*.Hα-helixtrans-61.5-37.8179.2-63.4178.4172.200111.7L157L157-E159 PolarHBondContact O-N 2.83Å
160T74.6Confident67.4Low61 Ų6172.3 Ų72.337%0.37436%0.363SS..Hα-helixtrans-79.5-38-178.2-42.80000111.7L35 R156 L157 A158 S163L35-T160 HydrophobicContact CD2-CG2 3.5Å; L35-T160 VanDerWaalsContact CD2-CG2 3.5Å; R156-T160 PolarHBondContact O-OG1 3.03Å; L157-T160 PolarHBondContact O-N 3.41Å; A158-T160 VanDerWaalsContact C-N 3.27Å; A158-T160 PolarHBondContact O-N 3.09Å; T160-S163 PolarHBondContact O-N 2.86Å; T160-S163 PolarHBondContact O-OG 2.69Å
161A72.4Confident67.1Low2 Ų270 Ų702%0.01735%0.347CS..Hα-helixtrans-67.5-35.9-18000000112.5L35 R42 A106 L157 A158 S163 K164L35-A161 HydrophobicContact CD1-CB 4.09Å; R42-A161 PolarHBondContact NH1-O 3.43Å; A106-A161 HydrophobicContact CB-CB 3.93Å; L157-A161 VanDerWaalsContact O-CB 3.26Å; L157-A161 WeakPolarHBondContact O-CB 3.31Å; L157-A161 PolarHBondContact O-N 3.37Å; A158-A161 PolarHBondContact O-N 3.17Å; A161-S163 PolarHBondContact O-N 2.81Å; A161-K164 PolarHBondContact O-N 2.88Å
162E67.5Low65.9Low88 Ų8872.6 Ų72.641%0.41137%0.365SS..Hα-helixtrans-65.7-27.5175.7-75.2-174.7176.200113A158 N508A158-E162 WeakPolarHBondContact O-CG 3.31Å; A158-E162 PolarHBondContact O-N 2.8Å; A158-E162 VanDerWaalsContact O-N 3.12Å; E162-N508 PolarHBondContact O-ND2 2.77Å
163S64.1Low64.7Low88 Ų8876.2 Ų76.262%0.61538%0.382SS*.Hα-helixtrans-81.7-15.5179.274.30000114.7T160 A161T160-S163 PolarHBondContact O-N 2.86Å; T160-S163 PolarHBondContact O-OG 2.69Å; A161-S163 PolarHBondContact O-N 2.81Å
164K68.2Low63Low84 Ų8475.5 Ų75.537%0.36539%0.387SS..SBendtrans-108.4132.2-179.4-67.3-165.1-178.8179.20111.2L35 R42 A161L35-K164 HydrophobicContact CD2-CD 3.78Å; L35-K164 VanDerWaalsContact CD2-CE 3.49Å; L35-K164 VanDerWaalsContact CD2-NZ 3.31Å; L35-K164 HydrophobicContact CG-CD 4.42Å; R42-K164 PolarHBondContact NH1-O 2.7Å; A161-K164 PolarHBondContact O-N 2.88Å
165E63.9Low61.5Low97 Ų9778.4 Ų78.445%0.45341%0.408SS..PPolyproline II helixtrans-65.6156.3169.8-65.1-154.9125.100111.7Q39 K438 E511Q39-E165 PolarHBondContact NE2-O 3.21Å; E165-K438 IonicContact OE1-NZ 2.76Å; E165-K438 PolarHBondContact OE1-NZ 2.95Å; E165-E511 VanDerWaalsContact OE1-OE2 3.07Å
166L63Low60.6Low18 Ų1873.8 Ų73.89%0.09440%0.395CS..PPolyproline II helixtrans-70.3128172.6-81.1165000109.2R42 D43 Q69 Y104 G168R42-L166 HydrophobicContact CB-CD2 3.74Å; R42-L166 HydrophobicContact CG-CD2 3.77Å; R42-L166 HydrophobicContact CG-CG 4.49Å; D43-L166 HydrophobicContact CB-CD1 4.15Å; D43-L166 HydrophobicContact CB-CD2 4.27Å; Q69-L166 HydrophobicContact CB-CB 3.91Å; Q69-L166 HydrophobicContact CG-CB 4.12Å; Y104-L166 HydrophobicContact CE2-CD1 4.27Å; L166-G168 PolarHBondContact O-N 2.93Å
167D59.4Low59.4Low62 Ų6270.9 Ų70.933%0.33239%0.394SS..PPolyproline II helixtrans-77.8122.2178.2-163.9-25.5000110.6R26 E169R26-D167 IonicContact CZ-OD2 3.37Å; R26-D167 IonicContact NH1-OD2 3.67Å; R26-D167 PolarHBondContact NH1-OD2 3.48Å; R26-D167 IonicContact NH2-OD2 3.03Å; D167-E169 VanDerWaalsContact C-N 3.34Å; D167-E169 PolarHBondContact OD1-N 3.48Å
168G52.1Low58.1Low44 Ų4477 Ų7745%0.45442%0.422SS..G310 helixtrans-74.9-18.5179.100000114.6L166 L170L166-G168 PolarHBondContact O-N 2.93Å; G168-L170 PolarHBondContact O-N 2.84Å
169E53.9Low57.5Low181 Ų18181.6 Ų81.685%0.84644%0.436SS*.G310 helixtrans-81.38-175-64.7-170.8168.300113.8D167 Y171D167-E169 VanDerWaalsContact C-N 3.34Å; D167-E169 PolarHBondContact OD1-N 3.48Å; E169-Y171 PolarHBondContact O-N 3.32Å
170L53.6Low57.4Low12 Ų1277.1 Ų77.16%0.06342%0.417CS..G310 helixtrans-76.1-22.5-170.6-137.685.8000115.5A40 L46 G168 S172A40-L170 HydrophobicContact CB-CD2 3.49Å; A40-L170 VanDerWaalsContact CB-CD2 3.49Å; L46-L170 HydrophobicContact CD1-CD2 4.33Å; G168-L170 PolarHBondContact O-N 2.84Å; L170-S172 PolarHBondContact O-N 2.79Å
171Y54.6Low57.6Low58 Ų5879.9 Ų79.923%0.22743%0.425CS..  trans-96.596.8-171.4-60.7-64.7000111.2D43 V45 L46 E169D43-Y171 PolarHBondContact OD1-OH 2.97Å; D43-Y171 WeakPolarHBondContact OD2-CE2 3.13Å; D43-Y171 VanDerWaalsContact OD2-CZ 3.29Å; D43-Y171 PolarHBondContact OD2-OH 2.82Å; V45-Y171 HydrophobicContact CB-CE1 3.63Å; V45-Y171 HydrophobicContact CB-CE2 4.47Å; V45-Y171 HydrophobicContact CG1-CD1 3.99Å; V45-Y171 HydrophobicContact CG1-CE1 3.54Å; V45-Y171 HydrophobicContact CG2-CE1 4.45Å; V45-Y171 HydrophobicContact CG2-CE2 4.46Å; L46-Y171 HydrophobicContact CD2-CD1 4.26Å; L46-Y171 HydrophobicContact CD2-CE1 3.84Å; L46-Y171 HydrophobicContact CG-CE1 3.98Å; E169-Y171 PolarHBondContact O-N 3.32Å
172S41.6Very low58.2Low80 Ų8080.5 Ų80.556%0.55943%0.428SS*.  trans-74.7143.7164.261.30000110.9L170 A174L170-S172 PolarHBondContact O-N 2.79Å; S172-A174 PolarHBondContact O-N 2.66Å
173E43.9Very low59.2Low157 Ų15776.7 Ų76.773%0.73441%0.41SS*.SBendtrans-54.527.8-170.8-57.9171.3159.900118S175 D176E173-S175 PolarHBondContact O-N 3.1Å; E173-D176 PolarHBondContact O-N 3.12Å
174A36.8Very low60.4Low55 Ų5575.2 Ų75.246%0.45540%0.395SS..THydrogen-bonded Turntrans-62.6-13.8-169.800000115.1S172S172-A174 PolarHBondContact O-N 2.66Å
175S44.7Very low61.4Low69 Ų6974.7 Ų74.748%0.48339%0.394SS..THydrogen-bonded Turntrans-84.2-16.417363.20000114.5E173 R179E173-S175 PolarHBondContact O-N 3.1Å; S175-R179 PolarHBondContact OG-NH2 2.91Å
176D51Low62.5Low59 Ų5971.2 Ų71.232%0.31638%0.378SS..Hα-helixtrans-84.7-24.7-169.1-70.7-15.7000113.5E173 Q178 R179 D180E173-D176 PolarHBondContact O-N 3.12Å; D176-Q178 VanDerWaalsContact C-N 3.33Å; D176-Q178 PolarHBondContact O-N 2.9Å; D176-R179 PolarHBondContact O-N 3.29Å; D176-R179 VanDerWaalsContact O-N 3.1Å; D176-R179 IonicContact OD1-CZ 3.69Å; D176-R179 IonicContact OD1-NE 3.51Å; D176-R179 PolarHBondContact OD1-NE 2.8Å; D176-R179 IonicContact OD1-NH2 3.59Å; D176-R179 PolarHBondContact OD1-NH2 3.4Å; D176-D180 PolarHBondContact O-N 3.34Å
177V52.5Low63.9Low92 Ų9270.4 Ų70.456%0.55837%0.374SS*.Hα-helixtrans-58.6-41.8-176.3-175.90000112.5Q181V177-Q181 WeakPolarHBondContact O-CG 3.16Å; V177-Q181 PolarHBondContact O-N 3.43Å
178Q54.6Low65.3Low136 Ų13669.8 Ų69.864%0.63637%0.373SS*.Hα-helixtrans-72.6-33.7-179.5-168.4174.3100112D176 Q181D176-Q178 VanDerWaalsContact C-N 3.33Å; D176-Q178 PolarHBondContact O-N 2.9Å; Q178-Q181 PolarHBondContact O-N 2.87Å
179R63.3Low67Low116 Ų11674.9 Ų74.944%0.43838%0.382SS..Hα-helixtrans-69.1-40.6177.1-67.3-168.7-79.3-163.3-2.2111.2S175 D176 Q181 I182 Y183 Q357S175-R179 PolarHBondContact OG-NH2 2.91Å; D176-R179 PolarHBondContact O-N 3.29Å; D176-R179 VanDerWaalsContact O-N 3.1Å; D176-R179 IonicContact OD1-CZ 3.69Å; D176-R179 IonicContact OD1-NE 3.51Å; D176-R179 PolarHBondContact OD1-NE 2.8Å; D176-R179 IonicContact OD1-NH2 3.59Å; D176-R179 PolarHBondContact OD1-NH2 3.4Å; R179-Q181 VanDerWaalsContact C-N 3.32Å; R179-Q181 PolarHBondContact O-N 2.63Å; R179-I182 PolarHBondContact O-N 2.65Å; R179-Y183 PolarHBondContact O-N 3.34Å; R179-Q357 PolarHBondContact O-NE2 3.39Å
180D70.3Confident68.4Low61 Ų6167.4 Ų67.433%0.32635%0.352SS..Hα-helixtrans-66.2-32.2176.8-86.8-22.9000112.6D176 I182 Y183 D184 K361D176-D180 PolarHBondContact O-N 3.34Å; D180-I182 VanDerWaalsContact C-N 3.3Å; D180-I182 PolarHBondContact O-N 3.06Å; D180-Y183 PolarHBondContact O-N 3.26Å; D180-D184 WeakPolarHBondContact O-CB 3.38Å; D180-D184 PolarHBondContact O-N 3.31Å; D180-K361 IonicContact OD1-NZ 2.9Å; D180-K361 PolarHBondContact OD1-NZ 3Å; D180-K361 IonicContact OD2-NZ 2.66Å
181Q78.8Confident69.9Low118 Ų11872.7 Ų72.755%0.55139%0.387SS*.Hα-helixtrans-61.3-36.1175.2-73.7172.715.600113.4V177 Q178 R179 H185V177-Q181 WeakPolarHBondContact O-CG 3.16Å; V177-Q181 PolarHBondContact O-N 3.43Å; Q178-Q181 PolarHBondContact O-N 2.87Å; R179-Q181 VanDerWaalsContact C-N 3.32Å; R179-Q181 PolarHBondContact O-N 2.63Å; Q181-H185 PolarHBondContact O-N 2.91Å
182I84.3Confident71.2Confident15 Ų1571 Ų718%0.07738%0.381CS..Hα-helixtrans-68.5-49178.9-64.4154.3000109.8R179 D180 D184 H185 I186 F346 D350 V354R179-I182 PolarHBondContact O-N 2.65Å; D180-I182 VanDerWaalsContact C-N 3.3Å; D180-I182 PolarHBondContact O-N 3.06Å; I182-D184 VanDerWaalsContact C-N 3.32Å; I182-D184 PolarHBondContact O-N 3.25Å; I182-H185 PolarHBondContact O-N 3.32Å; I182-I186 HydrophobicContact CG2-CD1 3.74Å; I182-I186 WeakPolarHBondContact O-CG1 3.25Å; I182-I186 PolarHBondContact O-N 3.15Å; I182-I186 VanDerWaalsContact O-N 3.08Å; I182-F346 HydrophobicContact CB-CD1 4.42Å; I182-F346 HydrophobicContact CB-CE1 4.3Å; I182-F346 HydrophobicContact CG1-CD1 3.72Å; I182-F346 HydrophobicContact CG1-CE1 3.74Å; I182-F346 HydrophobicContact CG2-CD1 4.19Å; I182-F346 HydrophobicContact CG2-CD2 4.41Å; I182-F346 HydrophobicContact CG2-CE1 4.39Å; I182-F346 HydrophobicContact CG2-CG 4.2Å; I182-D350 HydrophobicContact CD1-CB 3.78Å; I182-V354 HydrophobicContact CG2-CG2 4.15Å
183Y89.7Confident72.9Confident8 Ų874 Ų743%0.03139%0.386CS..Hα-helixtrans-57-47.1175.5179.2-90.5000111.3R179 D180 H185 I186 V187 V354 Q357 R358 K361R179-Y183 PolarHBondContact O-N 3.34Å; D180-Y183 PolarHBondContact O-N 3.26Å; Y183-H185 VanDerWaalsContact C-N 3.27Å; Y183-H185 PolarHBondContact O-N 3.31Å; Y183-I186 PolarHBondContact O-N 2.85Å; Y183-V187 HydrophobicContact CD1-CB 4.49Å; Y183-V187 HydrophobicContact CD2-CB 4.27Å; Y183-V187 HydrophobicContact CD2-CG2 3.94Å; Y183-V187 HydrophobicContact CE1-CB 4.12Å; Y183-V187 HydrophobicContact CE1-CG1 4.25Å; Y183-V187 HydrophobicContact CE2-CB 3.89Å; Y183-V187 HydrophobicContact CE2-CG1 4.03Å; Y183-V187 HydrophobicContact CE2-CG2 3.72Å; Y183-V187 WeakPolarHBondContact O-CB 3.01Å; Y183-V187 PolarHBondContact O-N 3.31Å; Y183-V187 WeakPolarHBondContact OH-CG1 3.39Å; Y183-V354 HydrophobicContact CD2-CG1 4.17Å; Y183-Q357 HydrophobicContact CD2-CB 3.51Å; Y183-Q357 HydrophobicContact CE2-CB 4.1Å; Y183-Q357 HydrophobicContact CG-CB 4.11Å; Y183-R358 HydrophobicContact CE2-CB 3.99Å; Y183-R358 VanDerWaalsContact OH-CD 3.27Å; Y183-R358 WeakPolarHBondContact OH-CD 3.33Å; Y183-R358 PolarHBondContact OH-NH1 2.78Å; Y183-K361 HydrophobicContact CE1-CD 4.46Å; Y183-K361 HydrophobicContact CE1-CG 3.8Å; Y183-K361 HydrophobicContact CE2-CG 4.31Å; Y183-K361 WeakPolarHBondContact OH-CG 3.38Å
184D88.4Confident73.9Confident57 Ų5775.1 Ų75.131%0.30539%0.392SS..Iπ-helixtrans-60.2-37.5178.4-83-10000112.4D180 I182 T188 K189D180-D184 WeakPolarHBondContact O-CB 3.38Å; D180-D184 PolarHBondContact O-N 3.31Å; I182-D184 VanDerWaalsContact C-N 3.32Å; I182-D184 PolarHBondContact O-N 3.25Å; D184-T188 CarbonylContact O-C 3.6Å; D184-T188 WeakPolarHBondContact O-CB 3.22Å; D184-T188 PolarHBondContact O-N 3.45Å; D184-T188 PolarHBondContact OD1-OG1 2.83Å; D184-K189 WeakPolarHBondContact O-CB 3.46Å; D184-K189 WeakPolarHBondContact O-CG 3.37Å; D184-K189 PolarHBondContact O-N 3.46Å
185H88.8Confident75.4Confident74 Ų7482 Ų8234%0.34341%0.414SS..Iπ-helixtrans-68.6-41.3177.9-164.989.2000112.5Q181 I182 Y183 A190 K345 F346Q181-H185 PolarHBondContact O-N 2.91Å; I182-H185 PolarHBondContact O-N 3.32Å; Y183-H185 VanDerWaalsContact C-N 3.27Å; Y183-H185 PolarHBondContact O-N 3.31Å; H185-A190 PolarHBondContact O-N 2.79Å; H185-K345 PolarHBondContact CE1-NZ 3.11Å; H185-K345 PolarHBondContact NE2-NZ 3.44Å; H185-F346 HydrophobicContact CB-CE2 3.78Å; H185-F346 HydrophobicContact CB-CZ 3.53Å; H185-F346 AromaticContact CD2-CE2 3.45Å; H185-F346 VanDerWaalsContact CD2-CE2 3.45Å; H185-F346 WeakPolarHBondContact CD2-CE2 3.33Å; H185-F346 AromaticContact CD2-CZ 3.84Å; H185-F346 AromaticContact CG-CE2 3.7Å; H185-F346 AromaticContact CG-CZ 3.62Å
186I88.2Confident76.7Confident24 Ų2480.5 Ų80.512%0.12340%0.4CS..Iπ-helixtrans-85.3-39.5-171.1-66.8171.3000111.8I182 Y183 A190 S222 F346 V351 V354I182-I186 HydrophobicContact CG2-CD1 3.74Å; I182-I186 WeakPolarHBondContact O-CG1 3.25Å; I182-I186 PolarHBondContact O-N 3.15Å; I182-I186 VanDerWaalsContact O-N 3.08Å; Y183-I186 PolarHBondContact O-N 2.85Å; I186-A190 WeakPolarHBondContact O-CB 3.36Å; I186-S222 VanDerWaalsContact CG2-OG 3.28Å; I186-S222 WeakPolarHBondContact CG2-OG 3.42Å; I186-F346 HydrophobicContact CD1-CD2 3.94Å; I186-F346 HydrophobicContact CD1-CE2 4.19Å; I186-F346 HydrophobicContact CG1-CD2 4.21Å; I186-F346 HydrophobicContact CG1-CE2 4.02Å; I186-V351 HydrophobicContact CD1-CG2 4.3Å; I186-V354 HydrophobicContact CD1-CG2 3.78Å; I186-V354 HydrophobicContact CG2-CG1 4.34Å
187V91.5Very high77.9Confident0 Ų083 Ų830%041%0.41CS..Iπ-helixtrans-108-36.4-170.1-177.90000112.2Y183 T215 K218 Y219 V354Y183-V187 HydrophobicContact CD1-CB 4.49Å; Y183-V187 HydrophobicContact CD2-CB 4.27Å; Y183-V187 HydrophobicContact CD2-CG2 3.94Å; Y183-V187 HydrophobicContact CE1-CB 4.12Å; Y183-V187 HydrophobicContact CE1-CG1 4.25Å; Y183-V187 HydrophobicContact CE2-CB 3.89Å; Y183-V187 HydrophobicContact CE2-CG1 4.03Å; Y183-V187 HydrophobicContact CE2-CG2 3.72Å; Y183-V187 WeakPolarHBondContact O-CB 3.01Å; Y183-V187 PolarHBondContact O-N 3.31Å; Y183-V187 WeakPolarHBondContact OH-CG1 3.39Å; V187-T215 WeakPolarHBondContact CG1-O 3.19Å; V187-K218 WeakPolarHBondContact O-CD 3.33Å; V187-Y219 HydrophobicContact CG2-CD2 4.23Å; V187-V354 HydrophobicContact CG2-CG1 3.7Å
188T88.2Confident79.1Confident50 Ų5081.5 Ų81.531%0.30740%0.397SS..Iπ-helixtrans-89.9-52.3-176.7-48.20000111.6D184 K218D184-T188 CarbonylContact O-C 3.6Å; D184-T188 WeakPolarHBondContact O-CB 3.22Å; D184-T188 PolarHBondContact O-N 3.45Å; D184-T188 PolarHBondContact OD1-OG1 2.83Å; T188-K218 PolarHBondContact O-NZ 2.87Å
189K87.6Confident80.6Confident150 Ų15075.3 Ų75.365%0.65237%0.367SS*.SBendtrans-98.4-7.2-169-63.5175.4-177168.80114.5D184D184-K189 WeakPolarHBondContact O-CB 3.46Å; D184-K189 WeakPolarHBondContact O-CG 3.37Å; D184-K189 PolarHBondContact O-N 3.46Å
190A84.8Confident81.8Confident25 Ų2575.5 Ų75.521%0.20738%0.381CS..PPolyproline II helixtrans-58.1138.1176.300000110.4H185 I186 K218H185-A190 PolarHBondContact O-N 2.79Å; I186-A190 WeakPolarHBondContact O-CB 3.36Å; A190-K218 HydrophobicContact CB-CD 4.33Å; A190-K218 HydrophobicContact CB-CG 4.36Å; A190-K218 WeakPolarHBondContact O-CE 3.47Å; A190-K218 PolarHBondContact O-NZ 3.14Å; A190-K218 VanDerWaalsContact O-NZ 3.1Å
191P83.3Confident82.6Confident123 Ų12373.5 Ų73.580%0.79937%0.373SS*.PPolyproline II helixtrans-69.1143.617729.8-33.6000110.1
192L82Confident83.1Confident21 Ų2176 Ų7611%0.1138%0.382CS..PPolyproline II helixtrans-98.4151.8164-73.2172.6000108.8E196 E197 D214 R217 K218L192-E196 HydrophobicContact CB-CB 4.25Å; L192-E196 HydrophobicContact CD2-CB 4.37Å; L192-E196 WeakPolarHBondContact CD2-OE2 3.39Å; L192-E197 HydrophobicContact CB-CG 4.25Å; L192-D214 HydrophobicContact CD1-CB 3.91Å; L192-R217 HydrophobicContact CD2-CB 4.4Å; L192-R217 HydrophobicContact CD2-CG 4.03Å; L192-K218 HydrophobicContact CD2-CG 3.76Å; L192-K218 HydrophobicContact CG-CD 4.47Å; L192-K218 HydrophobicContact CG-CG 4.08Å
193H77.9Confident83.4Confident143 Ų14379 Ų7966%0.66240%0.398SS*.PPolyproline II helixtrans-68.8148.3168.4-69.6-75.4000109.7E195 E196H193-E195 PolarHBondContact O-N 3.16Å; H193-E195 VanDerWaalsContact O-N 3.08Å; H193-E196 HydrophobicContact CB-CG 4.16Å; H193-E196 IonicContact CD2-OE2 3.42Å; H193-E196 PolarHBondContact N-OE2 2.93Å; H193-E196 WeakPolarHBondContact O-CA 3.41Å; H193-E196 WeakPolarHBondContact O-CB 3.48Å; H193-E196 PolarHBondContact O-N 3.17Å
194Q65.8Low83.4Confident182 Ų18284.3 Ų84.385%0.8542%0.424SS*.G310 helixtrans-56.2-30.8-177.7-75.7-178.2-13.900113.1E196 E197Q194-E196 PolarHBondContact O-N 3Å; Q194-E197 PolarHBondContact O-N 3.29Å
195E68.2Low83.5Confident198 Ų19882.5 Ų82.593%0.92541%0.414SS*.G310 helixtrans-70.6-18.6176.7-62.3178.5-17800113.3H193H193-E195 PolarHBondContact O-N 3.16Å; H193-E195 VanDerWaalsContact O-N 3.08Å
196E71.6Confident83.6Confident39 Ų3980 Ų8018%0.18240%0.402CS..G310 helixtrans-90-16.3179.8-62.5179.5122.500113L192 H193 Q194 E198 N221L192-E196 HydrophobicContact CB-CB 4.25Å; L192-E196 HydrophobicContact CD2-CB 4.37Å; L192-E196 WeakPolarHBondContact CD2-OE2 3.39Å; H193-E196 HydrophobicContact CB-CG 4.16Å; H193-E196 IonicContact CD2-OE2 3.42Å; H193-E196 PolarHBondContact N-OE2 2.93Å; H193-E196 WeakPolarHBondContact O-CA 3.41Å; H193-E196 WeakPolarHBondContact O-CB 3.48Å; H193-E196 PolarHBondContact O-N 3.17Å; Q194-E196 PolarHBondContact O-N 3Å; E196-E198 PolarHBondContact O-N 2.86Å; E196-E198 VanDerWaalsContact O-N 3.14Å; E196-N221 PolarHBondContact OE1-ND2 3.11Å
197E75.9Confident83.9Confident111 Ų11183.1 Ų83.152%0.51942%0.416SS..  trans-81.485.4177.2-67.9-170.1169.500110.8L192 Q194L192-E197 HydrophobicContact CB-CG 4.25Å; Q194-E197 PolarHBondContact O-N 3.29Å
198E79.1Confident84Confident61 Ų6183.8 Ų83.829%0.28542%0.42SS..  trans-84.4-26.7-170.9-169.5169.318000114.3E196 R272E196-E198 PolarHBondContact O-N 2.86Å; E196-E198 VanDerWaalsContact O-N 3.14Å; E198-R272 IonicContact OE1-CZ 3.92Å; E198-R272 VanDerWaalsContact OE1-CZ 3.31Å; E198-R272 IonicContact OE1-NE 3.39Å; E198-R272 PolarHBondContact OE1-NE 3.34Å; E198-R272 IonicContact OE1-NH2 2.79Å; E198-R272 PolarHBondContact OE1-NH2 3.29Å; E198-R272 VanDerWaalsContact OE1-NH2 3.1Å; E198-R272 IonicContact OE2-CZ 3.61Å; E198-R272 IonicContact OE2-NE 2.7Å; E198-R272 IonicContact OE2-NH2 3.21Å; E198-R272 PolarHBondContact OE2-NH2 2.89Å
199F86Confident84.2Confident5 Ų581.4 Ų81.42%0.02241%0.406CS..  trans-118.5141-168.3-55.3-63.8000113.6K210 V213 L268 A271 R272 F275F199-K210 HydrophobicContact CB-CG 4.4Å; F199-K210 WeakPolarHBondContact O-CD 3.3Å; F199-K210 WeakPolarHBondContact O-CE 3.36Å; F199-V213 HydrophobicContact CE2-CG1 4.12Å; F199-V213 HydrophobicContact CE2-CG2 4.2Å; F199-L268 HydrophobicContact CE2-CD2 4.13Å; F199-L268 HydrophobicContact CZ-CD2 4.48Å; F199-A271 HydrophobicContact CE2-CB 3.96Å; F199-A271 HydrophobicContact CZ-CB 3.82Å; F199-R272 HydrophobicContact CE1-CG 4.01Å; F199-R272 HydrophobicContact CZ-CG 3.91Å; F199-F275 HydrophobicContact CB-CD1 4.33Å; F199-F275 HydrophobicContact CB-CD2 4.23Å; F199-F275 HydrophobicContact CB-CE1 4Å; F199-F275 HydrophobicContact CB-CE2 3.91Å; F199-F275 HydrophobicContact CB-CG 4.45Å; F199-F275 HydrophobicContact CB-CZ 3.79Å; F199-F275 HydrophobicContact CD1-CB 3.96Å; F199-F275 HydrophobicContact CD1-CD1 4.2Å; F199-F275 AromaticContact CD1-CD2 3.36Å; F199-F275 HydrophobicContact CD1-CD2 3.36Å; F199-F275 AromaticContact CD1-CE2 3.87Å; F199-F275 HydrophobicContact CD1-CE2 3.87Å; F199-F275 AromaticContact CD1-CG 3.57Å; F199-F275 HydrophobicContact CD1-CG 3.57Å; F199-F275 HydrophobicContact CD1-CZ 4.46Å; F199-F275 HydrophobicContact CD2-CD2 4.45Å; F199-F275 HydrophobicContact CD2-CE2 4.26Å; F199-F275 HydrophobicContact CE1-CB 4.21Å; F199-F275 AromaticContact CE1-CD2 3.77Å; F199-F275 HydrophobicContact CE1-CD2 3.77Å; F199-F275 HydrophobicContact CE1-CE2 4.49Å; F199-F275 HydrophobicContact CE1-CG 4.16Å; F199-F275 AromaticContact CG-CD2 3.76Å; F199-F275 HydrophobicContact CG-CD2 3.76Å; F199-F275 AromaticContact CG-CE2 3.74Å; F199-F275 HydrophobicContact CG-CE2 3.74Å; F199-F275 HydrophobicContact CG-CG 4.22Å; F199-F275 HydrophobicContact CG-CZ 4.16Å; F199-F275 HydrophobicContact CZ-CD2 4.46Å
200V86.6Confident84.5Confident120 Ų12076.1 Ų76.173%0.72738%0.383SS*.  trans-114.7109.4171.4-178.20000108.3
201A87.9Confident84.9Confident19 Ų1979.1 Ų79.116%0.15739%0.393CS..  trans-77.8138.4-179.400000112.1E206 H207A201-E206 WeakPolarHBondContact CA-OE2 3.3Å; A201-E206 HydrophobicContact CB-CB 3.77Å; A201-H207 HydrophobicContact CB-CB 4.25Å
202K88.8Confident85.5Confident171 Ų17173.5 Ų73.574%0.74336%0.356SS*.SBendtrans-102.9-23.6180-61166.2-169.3156.60112.9E206K202-E206 WeakPolarHBondContact CB-OE2 3.34Å; K202-E206 WeakPolarHBondContact CG-OE2 3.23Å; K202-E206 PolarHBondContact N-OE2 2.78Å
203D90.3Very high86.1Confident78 Ų7872.6 Ų72.642%0.41735%0.351SS..SBendtrans-144.1179.7-179.36430.3000111.7L205 E206 H207D203-L205 VanDerWaalsContact C-N 3.27Å; D203-L205 PolarHBondContact O-N 2.91Å; D203-L205 WeakPolarHBondContact OD1-CA 3.3Å; D203-L205 WeakPolarHBondContact OD1-CB 3.07Å; D203-L205 PolarHBondContact OD1-N 2.71Å; D203-E206 PolarHBondContact OD1-N 2.91Å; D203-H207 WeakPolarHBondContact O-CB 3.07Å; D203-H207 PolarHBondContact O-CD2 2.86Å; D203-H207 PolarHBondContact O-N 3.33Å
204Q90.7Very high86.9Confident120 Ų12066.5 Ų66.556%0.56132%0.323SS*.Hα-helixtrans-65-30.3-178.6-66.1-61.5-48.400112.9H207 C208Q204-H207 WeakPolarHBondContact O-CB 3.23Å; Q204-H207 PolarHBondContact O-N 3.47Å; Q204-C208 PolarHBondContact O-N 2.87Å; Q204-C208 PolarHBondContact O-SG 3.46Å; Q204-C208 VanDerWaalsContact O-SG 3.34Å
205L89.8Confident88.3Confident19 Ų1958.1 Ų58.110%0.09929%0.285CS..Hα-helixtrans-70.4-49.7-179.9-178.169000110.6D203 H207 C208 I209 W274 L369 H372 T373D203-L205 VanDerWaalsContact C-N 3.27Å; D203-L205 PolarHBondContact O-N 2.91Å; D203-L205 WeakPolarHBondContact OD1-CA 3.3Å; D203-L205 WeakPolarHBondContact OD1-CB 3.07Å; D203-L205 PolarHBondContact OD1-N 2.71Å; L205-H207 PolarHBondContact O-N 2.91Å; L205-C208 WeakPolarHBondContact O-CB 3.22Å; L205-C208 PolarHBondContact O-N 2.65Å; L205-I209 PolarHBondContact O-N 2.98Å; L205-W274 HydrophobicContact CD2-CH2 4.47Å; L205-W274 HydrophobicContact CD2-CZ2 3.62Å; L205-W274 HydrophobicContact CG-CZ2 4.05Å; L205-L369 HydrophobicContact CD1-CD1 3.57Å; L205-L369 HydrophobicContact CD1-CG 4.49Å; L205-L369 HydrophobicContact CG-CD1 4.44Å; L205-H372 HydrophobicContact CB-CB 4.22Å; L205-H372 HydrophobicContact CD1-CB 4.07Å; L205-T373 WeakPolarHBondContact CD1-OG1 3.43Å
206E91.8Very high89.7Confident20 Ų2048.7 Ų48.79%0.09324%0.241CC..Hα-helixtrans-62.3-33.3173.4-72.5-173.717500111.5A201 K202 D203 I209 K210 F275A201-E206 WeakPolarHBondContact CA-OE2 3.3Å; A201-E206 HydrophobicContact CB-CB 3.77Å; K202-E206 WeakPolarHBondContact CB-OE2 3.34Å; K202-E206 WeakPolarHBondContact CG-OE2 3.23Å; K202-E206 PolarHBondContact N-OE2 2.78Å; D203-E206 PolarHBondContact OD1-N 2.91Å; E206-I209 PolarHBondContact O-N 3.12Å; E206-K210 WeakPolarHBondContact O-CB 3.13Å; E206-K210 PolarHBondContact O-N 3.02Å; E206-F275 HydrophobicContact CB-CE1 3.8Å; E206-F275 HydrophobicContact CB-CZ 3.87Å; E206-F275 HydrophobicContact CG-CE1 3.88Å; E206-F275 HydrophobicContact CG-CZ 4.21Å
207H93.2Very high90.8Very high91 Ų9148.7 Ų48.742%0.42124%0.239SC..Hα-helixtrans-62-43.8172.8-90.6-64.2000112.4A201 D203 Q204 L205 I209 K210 E211A201-H207 HydrophobicContact CB-CB 4.25Å; D203-H207 WeakPolarHBondContact O-CB 3.07Å; D203-H207 PolarHBondContact O-CD2 2.86Å; D203-H207 PolarHBondContact O-N 3.33Å; Q204-H207 WeakPolarHBondContact O-CB 3.23Å; Q204-H207 PolarHBondContact O-N 3.47Å; L205-H207 PolarHBondContact O-N 2.91Å; H207-I209 VanDerWaalsContact C-N 3.34Å; H207-I209 PolarHBondContact O-N 3.33Å; H207-K210 PolarHBondContact O-N 2.89Å; H207-E211 WeakPolarHBondContact O-CB 3.4Å; H207-E211 PolarHBondContact O-N 2.8Å
208C93.7Very high91.7Very high13 Ų1344.8 Ų44.89%0.08822%0.22CC..Hα-helixtrans-62.3-39.8176.1-70.10000112.3Q204 L205 E211 L212 L369Q204-C208 PolarHBondContact O-N 2.87Å; Q204-C208 PolarHBondContact O-SG 3.46Å; Q204-C208 VanDerWaalsContact O-SG 3.34Å; L205-C208 WeakPolarHBondContact O-CB 3.22Å; L205-C208 PolarHBondContact O-N 2.65Å; C208-E211 PolarHBondContact O-N 2.93Å; C208-L212 WeakPolarHBondContact O-CB 3.26Å; C208-L212 PolarHBondContact O-N 3.31Å; C208-L369 HydrophobicContact CB-CB 4.19Å; C208-L369 HydrophobicContact CB-CD1 3.62Å
209I92.7Very high92.5Very high1 Ų141.9 Ų41.91%0.00521%0.207CC..Hα-helixtrans-67.6-44.6177.1-61.6175.4000110.4L205 E206 H207 E211 L212 V213 A271 W274 F275 L369L205-I209 PolarHBondContact O-N 2.98Å; E206-I209 PolarHBondContact O-N 3.12Å; H207-I209 VanDerWaalsContact C-N 3.34Å; H207-I209 PolarHBondContact O-N 3.33Å; I209-E211 PolarHBondContact O-N 3.25Å; I209-L212 WeakPolarHBondContact O-CB 3.49Å; I209-L212 PolarHBondContact O-N 3.41Å; I209-V213 WeakPolarHBondContact O-CG2 3.14Å; I209-V213 PolarHBondContact O-N 2.8Å; I209-A271 HydrophobicContact CG2-CB 3.96Å; I209-W274 HydrophobicContact CD1-CB 4.41Å; I209-W274 HydrophobicContact CD1-CD2 3.28Å; I209-W274 HydrophobicContact CD1-CE3 3.72Å; I209-W274 HydrophobicContact CD1-CG 3.56Å; I209-W274 HydrophobicContact CD1-CH2 4.3Å; I209-W274 HydrophobicContact CD1-CZ2 3.94Å; I209-W274 HydrophobicContact CD1-CZ3 4.15Å; I209-F275 HydrophobicContact CB-CE2 4.3Å; I209-F275 HydrophobicContact CG2-CE2 3.88Å; I209-L369 HydrophobicContact CD1-CD1 4.36Å; I209-L369 HydrophobicContact CG1-CD1 3.67Å; I209-L369 HydrophobicContact CG1-CD2 4.32Å
210K93.7Very high92.8Very high38 Ų3842.1 Ų42.117%0.16521%0.209CC..Hα-helixtrans-58.6-47.4175-175.8-177.4-172.7-61.90111.1F199 E206 H207 L212 V213 D214F199-K210 HydrophobicContact CB-CG 4.4Å; F199-K210 WeakPolarHBondContact O-CD 3.3Å; F199-K210 WeakPolarHBondContact O-CE 3.36Å; E206-K210 WeakPolarHBondContact O-CB 3.13Å; E206-K210 PolarHBondContact O-N 3.02Å; H207-K210 PolarHBondContact O-N 2.89Å; K210-L212 VanDerWaalsContact C-N 3.33Å; K210-L212 PolarHBondContact O-N 3.12Å; K210-V213 PolarHBondContact O-N 3.28Å; K210-D214 IonicContact NZ-OD1 2.76Å; K210-D214 IonicContact NZ-OD2 3.52Å; K210-D214 PolarHBondContact NZ-OD2 3.38Å; K210-D214 WeakPolarHBondContact O-CB 2.94Å; K210-D214 PolarHBondContact O-N 3.34Å
211E94.7Very high93.1Very high88 Ų8839.2 Ų39.241%0.41119%0.189SC..Hα-helixtrans-58.5-44.2176.8-178.9-177.5-17300111.6H207 C208 I209 V213 D214 T215 L365H207-E211 WeakPolarHBondContact O-CB 3.4Å; H207-E211 PolarHBondContact O-N 2.8Å; C208-E211 PolarHBondContact O-N 2.93Å; I209-E211 PolarHBondContact O-N 3.25Å; E211-V213 PolarHBondContact O-N 3.07Å; E211-D214 PolarHBondContact O-N 3.45Å; E211-T215 HydrophobicContact CG-CG2 4.08Å; E211-T215 VanDerWaalsContact O-CB 3.29Å; E211-T215 WeakPolarHBondContact O-CB 3.45Å; E211-T215 WeakPolarHBondContact O-CG2 3.42Å; E211-T215 PolarHBondContact O-N 3.48Å; E211-T215 PolarHBondContact O-OG1 3.28Å; E211-L365 HydrophobicContact CG-CD2 4.43Å
212L95.1Very high93.3Very high5 Ų538.7 Ų38.73%0.02618%0.184CC..Hα-helixtrans-57.8-49.1177.6173.363.3000111.5C208 I209 K210 T215 E216 I267 V292 F296 L365C208-L212 WeakPolarHBondContact O-CB 3.26Å; C208-L212 PolarHBondContact O-N 3.31Å; I209-L212 WeakPolarHBondContact O-CB 3.49Å; I209-L212 PolarHBondContact O-N 3.41Å; K210-L212 VanDerWaalsContact C-N 3.33Å; K210-L212 PolarHBondContact O-N 3.12Å; L212-T215 PolarHBondContact O-OG1 2.82Å; L212-E216 VanDerWaalsContact O-CB 3.3Å; L212-E216 WeakPolarHBondContact O-CB 3.47Å; L212-E216 PolarHBondContact O-N 3.38Å; L212-I267 HydrophobicContact CD2-CD1 4.24Å; L212-I267 HydrophobicContact CG-CD1 4.44Å; L212-V292 HydrophobicContact CD2-CG1 3.81Å; L212-F296 HydrophobicContact CD1-CE2 4.46Å; L212-F296 HydrophobicContact CD1-CZ 3.81Å; L212-F296 HydrophobicContact CD2-CE2 3.84Å; L212-F296 HydrophobicContact CD2-CZ 4.04Å; L212-L365 HydrophobicContact CD1-CD1 3.97Å
213V94.9Very high93.4Very high2 Ų230.9 Ų30.91%0.01215%0.151CC..Hα-helixtrans-64.9-50.6179.1175.60000111.4F199 I209 K210 E211 T215 E216 R217 L264 I267 L268 A271F199-V213 HydrophobicContact CE2-CG1 4.12Å; F199-V213 HydrophobicContact CE2-CG2 4.2Å; I209-V213 WeakPolarHBondContact O-CG2 3.14Å; I209-V213 PolarHBondContact O-N 2.8Å; K210-V213 PolarHBondContact O-N 3.28Å; E211-V213 PolarHBondContact O-N 3.07Å; V213-T215 VanDerWaalsContact C-N 3.34Å; V213-T215 PolarHBondContact O-N 3.46Å; V213-E216 PolarHBondContact O-N 3.31Å; V213-E216 VanDerWaalsContact O-N 3.15Å; V213-R217 PolarHBondContact O-N 2.95Å; V213-L264 HydrophobicContact CG1-CD1 4.48Å; V213-I267 HydrophobicContact CG2-CG2 3.8Å; V213-L268 HydrophobicContact CG1-CD2 3.44Å; V213-L268 VanDerWaalsContact CG1-CD2 3.44Å; V213-L268 HydrophobicContact CG1-CG 4.32Å; V213-A271 HydrophobicContact CG2-CB 3.88Å
214D94.6Very high93.5Very high15 Ų1530.8 Ų30.88%0.0815%0.147CC..Hα-helixtrans-61.2-45.4-175.7-72.6-6.4000110.9L192 K210 E211 E216 R217 K218L192-D214 HydrophobicContact CD1-CB 3.91Å; K210-D214 IonicContact NZ-OD1 2.76Å; K210-D214 IonicContact NZ-OD2 3.52Å; K210-D214 PolarHBondContact NZ-OD2 3.38Å; K210-D214 WeakPolarHBondContact O-CB 2.94Å; K210-D214 PolarHBondContact O-N 3.34Å; E211-D214 PolarHBondContact O-N 3.45Å; D214-E216 VanDerWaalsContact C-N 3.31Å; D214-E216 PolarHBondContact O-N 2.96Å; D214-R217 PolarHBondContact O-N 3.41Å; D214-K218 WeakPolarHBondContact O-CD 3.4Å; D214-K218 VanDerWaalsContact O-CG 3.22Å; D214-K218 WeakPolarHBondContact O-CG 3.44Å; D214-K218 PolarHBondContact O-N 3.42Å
215T95.7Very high93.5Very high6 Ų626.9 Ų26.94%0.03713%0.13CC..Hα-helixtrans-69.2-30.6178.360.60000111.9V187 E211 L212 V213 Y219 R358V187-T215 WeakPolarHBondContact CG1-O 3.19Å; E211-T215 HydrophobicContact CG-CG2 4.08Å; E211-T215 VanDerWaalsContact O-CB 3.29Å; E211-T215 WeakPolarHBondContact O-CB 3.45Å; E211-T215 WeakPolarHBondContact O-CG2 3.42Å; E211-T215 PolarHBondContact O-N 3.48Å; E211-T215 PolarHBondContact O-OG1 3.28Å; L212-T215 PolarHBondContact O-OG1 2.82Å; V213-T215 VanDerWaalsContact C-N 3.34Å; V213-T215 PolarHBondContact O-N 3.46Å; T215-Y219 VanDerWaalsContact O-CB 3.29Å; T215-Y219 WeakPolarHBondContact O-CB 3.44Å; T215-Y219 PolarHBondContact O-N 2.77Å; T215-R358 VanDerWaalsContact CB-NH1 3.3Å; T215-R358 PolarHBondContact OG1-NH1 3.38Å; T215-R358 PolarHBondContact OG1-NH2 3.04Å
216E96.5Very high93.5Very high0 Ų026.4 Ų26.40%013%0.127CC..Hα-helixtrans-69.1-42173.9-169.961.4-155.200111.4L212 V213 D214 Y219 V220 H260 F263 L264 R358 Y362L212-E216 VanDerWaalsContact O-CB 3.3Å; L212-E216 WeakPolarHBondContact O-CB 3.47Å; L212-E216 PolarHBondContact O-N 3.38Å; V213-E216 PolarHBondContact O-N 3.31Å; V213-E216 VanDerWaalsContact O-N 3.15Å; D214-E216 VanDerWaalsContact C-N 3.31Å; D214-E216 PolarHBondContact O-N 2.96Å; E216-Y219 WeakPolarHBondContact O-CB 3.28Å; E216-Y219 PolarHBondContact O-N 3.39Å; E216-V220 WeakPolarHBondContact O-CG2 3.36Å; E216-V220 PolarHBondContact O-N 3.01Å; E216-H260 IonicContact OE1-CE1 2.79Å; E216-H260 IonicContact OE1-CG 3.72Å; E216-H260 IonicContact OE1-ND1 3.69Å; E216-H260 PolarHBondContact OE1-ND1 3.43Å; E216-F263 HydrophobicContact CG-CD1 4.09Å; E216-F263 HydrophobicContact CG-CE1 4.32Å; E216-F263 WeakPolarHBondContact OE1-CD1 3.4Å; E216-L264 HydrophobicContact CB-CD1 4.01Å; E216-L264 HydrophobicContact CG-CB 4.05Å; E216-L264 HydrophobicContact CG-CD1 3.92Å; E216-R358 VanDerWaalsContact CA-NH2 3.31Å; E216-R358 VanDerWaalsContact N-NH2 3.15Å; E216-R358 IonicContact OE2-CZ 2.89Å; E216-R358 IonicContact OE2-NE 3.34Å; E216-R358 PolarHBondContact OE2-NE 3.08Å; E216-R358 VanDerWaalsContact OE2-NE 3.1Å; E216-R358 IonicContact OE2-NH2 3.77Å; E216-R358 PolarHBondContact OE2-NH2 3.19Å; E216-Y362 VanDerWaalsContact CD-OH 3.29Å; E216-Y362 PolarHBondContact OE1-OH 3.43Å; E216-Y362 WeakPolarHBondContact OE2-CE1 3.25Å; E216-Y362 PolarHBondContact OE2-OH 3.15Å
217R95.3Very high93.4Very high39 Ų3926.3 Ų26.315%0.14713%0.127CC..Hα-helixtrans-60.8-48.3174.3-173178.4-60.2-76.42.8111.7L192 V213 D214 Y219 V220 N221 L264L192-R217 HydrophobicContact CD2-CB 4.4Å; L192-R217 HydrophobicContact CD2-CG 4.03Å; V213-R217 PolarHBondContact O-N 2.95Å; D214-R217 PolarHBondContact O-N 3.41Å; R217-Y219 PolarHBondContact O-N 3.47Å; R217-V220 PolarHBondContact O-N 3.12Å; R217-N221 VanDerWaalsContact O-CG 3.27Å; R217-N221 PolarHBondContact O-N 3.17Å; R217-N221 PolarHBondContact O-OD1 3.28Å; R217-L264 HydrophobicContact CB-CD1 4.43Å; R217-L264 HydrophobicContact CB-CD2 4.23Å; R217-L264 HydrophobicContact CG-CD2 4.42Å
218K95Very high93.2Very high30 Ų3026.1 Ų26.113%0.1313%0.126CC..Hα-helixtrans-58.4-38.4175.4-68.5165.9-170.6-173.30111.6V187 T188 A190 L192 D214 S222V187-K218 WeakPolarHBondContact O-CD 3.33Å; T188-K218 PolarHBondContact O-NZ 2.87Å; A190-K218 HydrophobicContact CB-CD 4.33Å; A190-K218 HydrophobicContact CB-CG 4.36Å; A190-K218 WeakPolarHBondContact O-CE 3.47Å; A190-K218 PolarHBondContact O-NZ 3.14Å; A190-K218 VanDerWaalsContact O-NZ 3.1Å; L192-K218 HydrophobicContact CD2-CG 3.76Å; L192-K218 HydrophobicContact CG-CD 4.47Å; L192-K218 HydrophobicContact CG-CG 4.08Å; D214-K218 WeakPolarHBondContact O-CD 3.4Å; D214-K218 VanDerWaalsContact O-CG 3.22Å; D214-K218 WeakPolarHBondContact O-CG 3.44Å; D214-K218 PolarHBondContact O-N 3.42Å; K218-S222 WeakPolarHBondContact O-CB 3.5Å; K218-S222 PolarHBondContact O-N 3.21Å
219Y95.1Very high93.1Very high0 Ų030.2 Ų30.20%014%0.14CC..Hα-helixtrans-67.6-44.5176.3179.2-115.6000113.1V187 T215 E216 R217 N221 S222 L223 H260 Y306 V354 P355 R358V187-Y219 HydrophobicContact CG2-CD2 4.23Å; T215-Y219 VanDerWaalsContact O-CB 3.29Å; T215-Y219 WeakPolarHBondContact O-CB 3.44Å; T215-Y219 PolarHBondContact O-N 2.77Å; E216-Y219 WeakPolarHBondContact O-CB 3.28Å; E216-Y219 PolarHBondContact O-N 3.39Å; R217-Y219 PolarHBondContact O-N 3.47Å; Y219-N221 VanDerWaalsContact C-N 3.33Å; Y219-N221 PolarHBondContact O-N 3.22Å; Y219-S222 WeakPolarHBondContact O-CA 3.49Å; Y219-S222 WeakPolarHBondContact O-CB 3.33Å; Y219-S222 PolarHBondContact O-N 2.97Å; Y219-S222 VanDerWaalsContact O-N 3.11Å; Y219-L223 HydrophobicContact CD1-CD1 4.22Å; Y219-L223 HydrophobicContact CE1-CD1 3.6Å; Y219-L223 HydrophobicContact CE1-CG 4.13Å; Y219-L223 HydrophobicContact CE2-CD1 4.46Å; Y219-L223 HydrophobicContact CE2-CD2 4.18Å; Y219-L223 HydrophobicContact CE2-CG 4.1Å; Y219-L223 PolarHBondContact O-N 2.68Å; Y219-H260 AromaticContact CD1-ND1 3.72Å; Y219-H260 HydrophobicContact CE1-CB 4.41Å; Y219-H260 AromaticContact CE1-CD2 3.81Å; Y219-H260 AromaticContact CE1-CE1 3.6Å; Y219-H260 AromaticContact CE1-CG 3.63Å; Y219-H260 AromaticContact CE1-ND1 3.49Å; Y219-H260 WeakPolarHBondContact CE1-ND1 3.43Å; Y219-H260 AromaticContact CE1-NE2 3.83Å; Y219-Y306 PolarHBondContact OH-OH 3.06Å; Y219-V354 HydrophobicContact CD2-CG1 4.28Å; Y219-V354 HydrophobicContact CE2-CG1 4.24Å; Y219-P355 HydrophobicContact CE2-CB 4.44Å; Y219-P355 HydrophobicContact CE2-CG 4.39Å; Y219-P355 WeakPolarHBondContact OH-CA 3.49Å; Y219-P355 WeakPolarHBondContact OH-CB 3.33Å; Y219-R358 HydrophobicContact CD1-CB 4.36Å; Y219-R358 HydrophobicContact CD1-CG 3.62Å; Y219-R358 HydrophobicContact CD2-CB 3.86Å; Y219-R358 HydrophobicContact CD2-CG 3.87Å; Y219-R358 HydrophobicContact CE1-CB 4.17Å; Y219-R358 HydrophobicContact CE1-CG 3.74Å; Y219-R358 HydrophobicContact CE2-CB 3.69Å; Y219-R358 HydrophobicContact CE2-CG 4.04Å; Y219-R358 HydrophobicContact CG-CB 4.2Å; Y219-R358 HydrophobicContact CG-CG 3.67Å
220V93.8Very high93.1Very high10 Ų1030.1 Ų30.16%0.06114%0.139CC..Hα-helixtrans-58.7-45.5173.8171.60000110.6E216 R217 S222 L223 E224 H260 L264E216-V220 WeakPolarHBondContact O-CG2 3.36Å; E216-V220 PolarHBondContact O-N 3.01Å; R217-V220 PolarHBondContact O-N 3.12Å; V220-S222 VanDerWaalsContact C-N 3.28Å; V220-S222 PolarHBondContact O-N 3.21Å; V220-L223 WeakPolarHBondContact O-CB 3.36Å; V220-L223 PolarHBondContact O-N 3.3Å; V220-L223 VanDerWaalsContact O-N 3.1Å; V220-E224 PolarHBondContact O-N 3.49Å; V220-H260 HydrophobicContact CG2-CB 3.86Å; V220-L264 HydrophobicContact CB-CD2 4.34Å; V220-L264 HydrophobicContact CG2-CB 4.33Å; V220-L264 HydrophobicContact CG2-CD2 4.03Å
221N92.4Very high92.9Very high59 Ų5929.7 Ų29.732%0.31614%0.137SC..Hα-helixtrans-60.7-37.3175.6-66.4-2.3000111.6E196 R217 Y219 E224 M225E196-N221 PolarHBondContact OE1-ND2 3.11Å; R217-N221 VanDerWaalsContact O-CG 3.27Å; R217-N221 PolarHBondContact O-N 3.17Å; R217-N221 PolarHBondContact O-OD1 3.28Å; Y219-N221 VanDerWaalsContact C-N 3.33Å; Y219-N221 PolarHBondContact O-N 3.22Å; N221-E224 PolarHBondContact O-N 3.44Å; N221-M225 WeakPolarHBondContact O-CB 3.33Å; N221-M225 PolarHBondContact O-N 2.61Å
222S91.7Very high92.7Very high7 Ų729.1 Ų29.15%0.04914%0.137CC..Hα-helixtrans-65.1-40.6173.7177.60000112.5I186 K218 Y219 V220 E224 M225 I226I186-S222 VanDerWaalsContact CG2-OG 3.28Å; I186-S222 WeakPolarHBondContact CG2-OG 3.42Å; K218-S222 WeakPolarHBondContact O-CB 3.5Å; K218-S222 PolarHBondContact O-N 3.21Å; Y219-S222 WeakPolarHBondContact O-CA 3.49Å; Y219-S222 WeakPolarHBondContact O-CB 3.33Å; Y219-S222 PolarHBondContact O-N 2.97Å; Y219-S222 VanDerWaalsContact O-N 3.11Å; V220-S222 VanDerWaalsContact C-N 3.28Å; V220-S222 PolarHBondContact O-N 3.21Å; S222-E224 VanDerWaalsContact C-N 3.35Å; S222-M225 PolarHBondContact O-N 3.08Å; S222-I226 WeakPolarHBondContact O-CG1 3.34Å; S222-I226 PolarHBondContact O-N 2.91Å
223L91.4Very high92.5Very high8 Ų831.2 Ų31.24%0.04215%0.151CC..Hα-helixtrans-64.6-42.4175.8-71177.8000110.8Y219 V220 I226 M227 L256 H257 H260 P355Y219-L223 HydrophobicContact CD1-CD1 4.22Å; Y219-L223 HydrophobicContact CE1-CD1 3.6Å; Y219-L223 HydrophobicContact CE1-CG 4.13Å; Y219-L223 HydrophobicContact CE2-CD1 4.46Å; Y219-L223 HydrophobicContact CE2-CD2 4.18Å; Y219-L223 HydrophobicContact CE2-CG 4.1Å; Y219-L223 PolarHBondContact O-N 2.68Å; V220-L223 WeakPolarHBondContact O-CB 3.36Å; V220-L223 PolarHBondContact O-N 3.3Å; V220-L223 VanDerWaalsContact O-N 3.1Å; L223-I226 PolarHBondContact O-N 3.05Å; L223-M227 WeakPolarHBondContact O-CG 3.38Å; L223-M227 PolarHBondContact O-N 3.24Å; L223-L256 HydrophobicContact CD1-CB 4.15Å; L223-L256 HydrophobicContact CD2-CB 4.44Å; L223-H257 HydrophobicContact CB-CB 4.33Å; L223-H260 HydrophobicContact CD1-CB 4.13Å; L223-P355 HydrophobicContact CD2-CG 3.96Å
224E91.2Very high92.4Very high75 Ų7531.1 Ų31.135%0.3515%0.15SC..Hα-helixtrans-62.9-41175.1-173.8167.8-145.400111.9V220 N221 S222 I226 M227 Q228V220-E224 PolarHBondContact O-N 3.49Å; N221-E224 PolarHBondContact O-N 3.44Å; S222-E224 VanDerWaalsContact C-N 3.35Å; E224-I226 PolarHBondContact O-N 2.84Å; E224-M227 WeakPolarHBondContact O-CB 3.16Å; E224-M227 PolarHBondContact O-N 2.96Å; E224-M227 VanDerWaalsContact O-N 3.16Å; E224-Q228 VanDerWaalsContact CD-NE2 3.33Å; E224-Q228 HydrophobicContact CG-CG 4.03Å; E224-Q228 VanDerWaalsContact CG-NE2 3.32Å; E224-Q228 WeakPolarHBondContact O-CB 3.37Å; E224-Q228 WeakPolarHBondContact O-CG 3.12Å; E224-Q228 PolarHBondContact O-N 3.16Å; E224-Q228 PolarHBondContact OE1-NE2 3.19Å
225M91Very high92.2Very high39 Ų3936.3 Ų36.319%0.19217%0.172CC..Hα-helixtrans-59.2-44.4172.9-178.8-143.563.200111.6N221 S222 M227 Q228 R229 F230 A341 V351N221-M225 WeakPolarHBondContact O-CB 3.33Å; N221-M225 PolarHBondContact O-N 2.61Å; S222-M225 PolarHBondContact O-N 3.08Å; M225-M227 VanDerWaalsContact C-N 3.29Å; M225-M227 PolarHBondContact O-N 3.17Å; M225-Q228 PolarHBondContact O-N 3.11Å; M225-R229 HydrophobicContact CG-CB 4.5Å; M225-R229 HydrophobicContact CG-CG 4.19Å; M225-R229 VanDerWaalsContact O-CB 3.29Å; M225-R229 WeakPolarHBondContact O-CB 3.47Å; M225-R229 PolarHBondContact O-N 3.37Å; M225-F230 HydrophobicContact CE-CD2 4.48Å; M225-F230 HydrophobicContact CE-CE2 4.02Å; M225-A341 HydrophobicContact CG-CB 4.13Å; M225-A341 HydrophobicContact SD-CB 3.97Å; M225-V351 HydrophobicContact CE-CG1 3.75Å
226I90.7Very high91.8Very high9 Ų943.4 Ų43.45%0.04621%0.209CC..Hα-helixtrans-58.8-43.5175.3-66165.5000110.5S222 L223 E224 F230 Y231 F247 V351 L352S222-I226 WeakPolarHBondContact O-CG1 3.34Å; S222-I226 PolarHBondContact O-N 2.91Å; L223-I226 PolarHBondContact O-N 3.05Å; E224-I226 PolarHBondContact O-N 2.84Å; I226-F230 WeakPolarHBondContact O-CB 3.48Å; I226-F230 PolarHBondContact O-N 3.5Å; I226-Y231 PolarHBondContact O-N 3.39Å; I226-F247 HydrophobicContact CG2-CE1 4.43Å; I226-V351 HydrophobicContact CD1-CG1 3.75Å; I226-V351 HydrophobicContact CG1-CG1 3.64Å; I226-L352 HydrophobicContact CG2-CD2 4.29Å
227M88.5Confident91.5Very high18 Ų1845.4 Ų45.49%0.08923%0.226CC..Iπ-helixtrans-64.2-54.1178.4-72.5173.76700112.9L223 E224 M225 Y231 N232 F254 H257L223-M227 WeakPolarHBondContact O-CG 3.38Å; L223-M227 PolarHBondContact O-N 3.24Å; E224-M227 WeakPolarHBondContact O-CB 3.16Å; E224-M227 PolarHBondContact O-N 2.96Å; E224-M227 VanDerWaalsContact O-N 3.16Å; M225-M227 VanDerWaalsContact C-N 3.29Å; M225-M227 PolarHBondContact O-N 3.17Å; M227-Y231 WeakPolarHBondContact O-CB 3.38Å; M227-Y231 PolarHBondContact O-N 3.18Å; M227-N232 PolarHBondContact O-N 2.83Å; M227-N232 PolarHBondContact O-ND2 2.77Å; M227-F254 HydrophobicContact CE-CD1 3.21Å; M227-F254 HydrophobicContact CE-CD2 4.41Å; M227-F254 HydrophobicContact CE-CE1 3.15Å; M227-F254 HydrophobicContact CE-CE2 4.36Å; M227-F254 HydrophobicContact CE-CG 3.87Å; M227-F254 HydrophobicContact CE-CZ 3.77Å; M227-H257 HydrophobicContact SD-CB 3.59Å; M227-H257 VanDerWaalsContact SD-CB 3.59Å
228Q90.1Very high91.3Very high86 Ų8644.2 Ų44.240%0.40222%0.223SC..Iπ-helixtrans-77.4-35-170.1-66.2-175.82.400112.8E224 M225 P233E224-Q228 VanDerWaalsContact CD-NE2 3.33Å; E224-Q228 HydrophobicContact CG-CG 4.03Å; E224-Q228 VanDerWaalsContact CG-NE2 3.32Å; E224-Q228 WeakPolarHBondContact O-CB 3.37Å; E224-Q228 WeakPolarHBondContact O-CG 3.12Å; E224-Q228 PolarHBondContact O-N 3.16Å; E224-Q228 PolarHBondContact OE1-NE2 3.19Å; M225-Q228 PolarHBondContact O-N 3.11Å; Q228-P233 WeakPolarHBondContact O-CD 3.44Å; Q228-P233 WeakPolarHBondContact O-CG 3.23Å
229R91.4Very high91.2Very high99 Ų9948.8 Ų48.837%0.37424%0.239SC..Iπ-helixtrans-105.1-14.9-171.2-51.9-61.4176.4-175.8-6.1114.5M225 C337 E340 A341M225-R229 HydrophobicContact CG-CB 4.5Å; M225-R229 HydrophobicContact CG-CG 4.19Å; M225-R229 VanDerWaalsContact O-CB 3.29Å; M225-R229 WeakPolarHBondContact O-CB 3.47Å; M225-R229 PolarHBondContact O-N 3.37Å; R229-C337 WeakPolarHBondContact O-CB 3.2Å; R229-E340 WeakPolarHBondContact CD-OE1 3.35Å; R229-E340 IonicContact CZ-OE1 3.7Å; R229-E340 IonicContact NE-OE1 3.31Å; R229-E340 IonicContact NH1-OE1 2.66Å; R229-E340 PolarHBondContact NH1-OE1 3.5Å; R229-A341 HydrophobicContact CB-CB 3.67Å; R229-A341 HydrophobicContact CG-CB 4.29Å
230F91.4Very high91Very high0 Ų053.5 Ų53.50%027%0.27CS..Iπ-helixtrans-121.2-56.8175.3-66.1-80.7000112.6M225 I226 P233 L234 F247 C337 Q338 A341 L348M225-F230 HydrophobicContact CE-CD2 4.48Å; M225-F230 HydrophobicContact CE-CE2 4.02Å; I226-F230 WeakPolarHBondContact O-CB 3.48Å; I226-F230 PolarHBondContact O-N 3.5Å; F230-P233 WeakPolarHBondContact O-CD 3.12Å; F230-L234 WeakPolarHBondContact O-CB 3.39Å; F230-L234 VanDerWaalsContact O-CG 3.24Å; F230-L234 WeakPolarHBondContact O-CG 3.41Å; F230-L234 PolarHBondContact O-N 3.3Å; F230-F247 HydrophobicContact CB-CE1 4.41Å; F230-F247 HydrophobicContact CB-CZ 4.19Å; F230-C337 HydrophobicContact CD1-CB 3.57Å; F230-C337 HydrophobicContact CE1-CB 3.8Å; F230-C337 HydrophobicContact CG-CB 4.46Å; F230-Q338 HydrophobicContact CE1-CB 4.38Å; F230-Q338 HydrophobicContact CE1-CG 3.73Å; F230-Q338 HydrophobicContact CZ-CG 4.14Å; F230-A341 HydrophobicContact CD2-CB 4.02Å; F230-A341 HydrophobicContact CE1-CB 4.46Å; F230-A341 HydrophobicContact CE2-CB 3.22Å; F230-A341 HydrophobicContact CZ-CB 3.5Å; F230-L348 HydrophobicContact CB-CD1 4.02Å; F230-L348 HydrophobicContact CD1-CB 4.27Å; F230-L348 HydrophobicContact CD1-CD1 3.65Å; F230-L348 HydrophobicContact CD1-CD2 4.13Å; F230-L348 HydrophobicContact CD1-CG 4.23Å; F230-L348 HydrophobicContact CD2-CD1 4.18Å; F230-L348 HydrophobicContact CE1-CB 4.04Å; F230-L348 HydrophobicContact CE1-CD1 4.05Å; F230-L348 HydrophobicContact CE1-CG 4.47Å; F230-L348 HydrophobicContact CG-CD1 3.7Å; F230-L348 HydrophobicContact CZ-CD1 4.45Å
231Y91.1Very high90.9Very high29 Ų2959.6 Ų59.611%0.11430%0.297CS..Iπ-helixtrans-61.8-51.7-173.4176.8-86.1000112.7I226 M227 K235 H243 F247 F254I226-Y231 PolarHBondContact O-N 3.39Å; M227-Y231 WeakPolarHBondContact O-CB 3.38Å; M227-Y231 PolarHBondContact O-N 3.18Å; Y231-K235 PolarHBondContact O-N 3.26Å; Y231-H243 AromaticContact CD2-CE1 3.62Å; Y231-H243 AromaticContact CD2-NE2 3.94Å; Y231-H243 AromaticContact CE2-CE1 3.32Å; Y231-H243 WeakPolarHBondContact CE2-CE1 3.37Å; Y231-H243 AromaticContact CZ-CE1 3.6Å; Y231-H243 PolarHBondContact O-NE2 3.25Å; Y231-F247 HydrophobicContact CD2-CB 3.92Å; Y231-F247 AromaticContact CD2-CD1 3.99Å; Y231-F247 HydrophobicContact CD2-CD1 3.99Å; Y231-F247 AromaticContact CD2-CD2 3.77Å; Y231-F247 HydrophobicContact CD2-CD2 3.77Å; Y231-F247 HydrophobicContact CD2-CE1 4.46Å; Y231-F247 HydrophobicContact CD2-CE2 4.28Å; Y231-F247 AromaticContact CD2-CG 3.61Å; Y231-F247 HydrophobicContact CD2-CG 3.61Å; Y231-F247 HydrophobicContact CE2-CB 4.13Å; Y231-F247 HydrophobicContact CE2-CD2 4.41Å; Y231-F247 HydrophobicContact CE2-CG 4.28Å; Y231-F254 AromaticContact CE1-CE2 3.84Å; Y231-F254 HydrophobicContact CE1-CE2 3.84Å; Y231-F254 HydrophobicContact CE1-CZ 4.35Å
232N90.1Very high90.8Very high76 Ų7657 Ų5741%0.40628%0.284SS..Hα-helixtrans-66.9-49.3-179.4-69.9-28.5000112.1M227 L234 K235M227-N232 PolarHBondContact O-N 2.83Å; M227-N232 PolarHBondContact O-ND2 2.77Å; N232-L234 PolarHBondContact O-N 3.23Å; N232-K235 VanDerWaalsContact O-CB 3.29Å; N232-K235 WeakPolarHBondContact O-CB 3.49Å; N232-K235 PolarHBondContact O-N 3.03Å
233P91.4Very high90.9Very high49 Ų4957 Ų5732%0.31828%0.283SS..Hα-helixtrans-65-34.5-179.2-25.537.6000114.1Q228 F230 K235Q228-P233 WeakPolarHBondContact O-CD 3.44Å; Q228-P233 WeakPolarHBondContact O-CG 3.23Å; F230-P233 WeakPolarHBondContact O-CD 3.12Å; P233-K235 VanDerWaalsContact C-N 3.29Å; P233-K235 PolarHBondContact O-N 3.2Å
234L92.4Very high90.8Very high0 Ų059.9 Ų59.90%030%0.299CS..Hα-helixtrans-79.3-11.7179.8-66.9174.6000113.5F230 N232 D236 A237 L238 F247 I334 L348F230-L234 WeakPolarHBondContact O-CB 3.39Å; F230-L234 VanDerWaalsContact O-CG 3.24Å; F230-L234 WeakPolarHBondContact O-CG 3.41Å; F230-L234 PolarHBondContact O-N 3.3Å; N232-L234 PolarHBondContact O-N 3.23Å; L234-D236 VanDerWaalsContact C-N 3.27Å; L234-D236 PolarHBondContact O-N 2.66Å; L234-A237 HydrophobicContact CD2-CB 4.48Å; L234-A237 PolarHBondContact O-N 3.28Å; L234-L238 HydrophobicContact CB-CD1 3.94Å; L234-L238 HydrophobicContact CB-CG 4.36Å; L234-L238 WeakPolarHBondContact O-CB 3.29Å; L234-L238 WeakPolarHBondContact O-CG 2.95Å; L234-L238 PolarHBondContact O-N 3.34Å; L234-F247 HydrophobicContact CB-CE2 4.5Å; L234-F247 HydrophobicContact CD1-CE2 4.43Å; L234-F247 HydrophobicContact CD1-CZ 4.18Å; L234-I334 HydrophobicContact CD1-CG1 4.18Å; L234-I334 HydrophobicContact CD2-CG1 3.89Å; L234-L348 HydrophobicContact CD1-CD2 3.89Å
235K90.3Very high90.7Very high124 Ų12458.7 Ų58.754%0.53930%0.296SS..Hα-helixtrans-61-37.5178.5-168.8178.7-179.6-177.10112.4Y231 N232 P233Y231-K235 PolarHBondContact O-N 3.26Å; N232-K235 VanDerWaalsContact O-CB 3.29Å; N232-K235 WeakPolarHBondContact O-CB 3.49Å; N232-K235 PolarHBondContact O-N 3.03Å; P233-K235 VanDerWaalsContact C-N 3.29Å; P233-K235 PolarHBondContact O-N 3.2Å
236D87.3Confident90.7Very high154 Ų15456.9 Ų56.982%0.82429%0.287SS*.THydrogen-bonded Turntrans-86.9-18.8179.9-60.8-32.7000112.6L234L234-D236 VanDerWaalsContact C-N 3.27Å; L234-D236 PolarHBondContact O-N 2.66Å
237A90Very high90.7Very high43 Ų4356.9 Ų56.936%0.35529%0.287SS..THydrogen-bonded Turntrans-90.4-22.9-178.600000113.8L234L234-A237 HydrophobicContact CD2-CB 4.48Å; L234-A237 PolarHBondContact O-N 3.28Å
238L91.6Very high90.6Very high14 Ų1456.7 Ų56.77%0.07329%0.286CS..SBendtrans-110.2158.4-175.2-64.2176.3000111.8L234 H243 I246 L323 I330L234-L238 HydrophobicContact CB-CD1 3.94Å; L234-L238 HydrophobicContact CB-CG 4.36Å; L234-L238 WeakPolarHBondContact O-CB 3.29Å; L234-L238 WeakPolarHBondContact O-CG 2.95Å; L234-L238 PolarHBondContact O-N 3.34Å; L238-H243 HydrophobicContact CB-CB 4.1Å; L238-H243 HydrophobicContact CD1-CB 4.35Å; L238-I246 HydrophobicContact CD1-CD1 3.67Å; L238-L323 HydrophobicContact CD2-CD1 4.18Å; L238-I330 HydrophobicContact CD2-CD1 3.87Å; L238-I330 HydrophobicContact CD2-CG1 4.19Å; L238-I330 HydrophobicContact CD2-CG2 3.6Å
239R92.7Very high89.3Confident126 Ų12658.1 Ų58.148%0.47530%0.296SS..  trans-67.4147165.7-63.9-179-63.8168.56.2109.1E241 D242 H243R239-E241 PolarHBondContact O-N 2.99Å; R239-E241 VanDerWaalsContact O-N 3.16Å; R239-D242 HydrophobicContact CB-CB 4.45Å; R239-D242 IonicContact CZ-OD1 3.45Å; R239-D242 IonicContact CZ-OD2 2.67Å; R239-D242 VanDerWaalsContact CZ-OD2 3.25Å; R239-D242 IonicContact NE-OD2 3.48Å; R239-D242 PolarHBondContact NE-OD2 3.37Å; R239-D242 VanDerWaalsContact NH2-CG 3.32Å; R239-D242 IonicContact NH2-OD1 4Å; R239-D242 PolarHBondContact NH2-OD1 3.33Å; R239-D242 IonicContact NH2-OD2 3.63Å; R239-D242 PolarHBondContact NH2-OD2 3.42Å; R239-D242 PolarHBondContact O-N 3.24Å; R239-H243 WeakPolarHBondContact O-CB 3.19Å; R239-H243 PolarHBondContact O-N 3.28Å
240P90.7Very high87.7Confident98 Ų9855.3 Ų55.364%0.63629%0.288SS*.Hα-helixtrans-53.5-38.3178.8-28.135.2000113.6N244P240-N244 VanDerWaalsContact O-CB 3.27Å; P240-N244 WeakPolarHBondContact O-CB 3.43Å; P240-N244 PolarHBondContact O-N 3.05Å; P240-N244 PolarHBondContact O-ND2 2.92Å; P240-N244 VanDerWaalsContact O-ND2 3.15Å
241E90.7Very high86.1Confident138 Ų13859.4 Ų59.465%0.64532%0.315SS*.Hα-helixtrans-63.7-46.7176.7-65.1166-16400112.3R239 N244 V245R239-E241 PolarHBondContact O-N 2.99Å; R239-E241 VanDerWaalsContact O-N 3.16Å; E241-N244 PolarHBondContact O-N 3.28Å; E241-V245 WeakPolarHBondContact O-CG2 3.39Å; E241-V245 PolarHBondContact O-N 3.46Å
242D92.3Very high84.1Confident6 Ų658.2 Ų58.23%0.03231%0.311CS..Hα-helixtrans-66.8-42.5178.9-65.8-36000110.8R239 V245 I246 L323R239-D242 HydrophobicContact CB-CB 4.45Å; R239-D242 IonicContact CZ-OD1 3.45Å; R239-D242 IonicContact CZ-OD2 2.67Å; R239-D242 VanDerWaalsContact CZ-OD2 3.25Å; R239-D242 IonicContact NE-OD2 3.48Å; R239-D242 PolarHBondContact NE-OD2 3.37Å; R239-D242 VanDerWaalsContact NH2-CG 3.32Å; R239-D242 IonicContact NH2-OD1 4Å; R239-D242 PolarHBondContact NH2-OD1 3.33Å; R239-D242 IonicContact NH2-OD2 3.63Å; R239-D242 PolarHBondContact NH2-OD2 3.42Å; R239-D242 PolarHBondContact O-N 3.24Å; D242-V245 PolarHBondContact O-N 3.48Å; D242-I246 WeakPolarHBondContact O-CB 3.32Å; D242-I246 VanDerWaalsContact O-CG1 3.3Å; D242-I246 WeakPolarHBondContact O-CG1 3.22Å; D242-I246 PolarHBondContact O-N 2.9Å; D242-L323 HydrophobicContact CB-CD1 3.95Å
243H92.3Very high82.3Confident5 Ų555.4 Ų55.42%0.02330%0.298CS..Hα-helixtrans-60.5-47.9176.4-177.6-91.4000111Y231 L238 R239 V245 I246 F247Y231-H243 AromaticContact CD2-CE1 3.62Å; Y231-H243 AromaticContact CD2-NE2 3.94Å; Y231-H243 AromaticContact CE2-CE1 3.32Å; Y231-H243 WeakPolarHBondContact CE2-CE1 3.37Å; Y231-H243 AromaticContact CZ-CE1 3.6Å; Y231-H243 PolarHBondContact O-NE2 3.25Å; L238-H243 HydrophobicContact CB-CB 4.1Å; L238-H243 HydrophobicContact CD1-CB 4.35Å; R239-H243 WeakPolarHBondContact O-CB 3.19Å; R239-H243 PolarHBondContact O-N 3.28Å; H243-V245 PolarHBondContact O-N 3.49Å; H243-I246 PolarHBondContact O-N 3.1Å; H243-F247 AromaticContact CD2-CD2 3.79Å; H243-F247 AromaticContact CD2-CE2 3.75Å; H243-F247 AromaticContact CE1-CD2 3.86Å; H243-F247 AromaticContact NE2-CD2 3.63Å; H243-F247 AromaticContact NE2-CE2 3.67Å; H243-F247 WeakPolarHBondContact O-CD2 3.39Å; H243-F247 PolarHBondContact O-N 2.57Å
244N89.1Confident81.3Confident70 Ų7057.1 Ų57.137%0.37430%0.3SS..Hα-helixtrans-61.4-43.8176.9-68.6-24.2000110.6P240 E241 I246 F247 M248 N249P240-N244 VanDerWaalsContact O-CB 3.27Å; P240-N244 WeakPolarHBondContact O-CB 3.43Å; P240-N244 PolarHBondContact O-N 3.05Å; P240-N244 PolarHBondContact O-ND2 2.92Å; P240-N244 VanDerWaalsContact O-ND2 3.15Å; E241-N244 PolarHBondContact O-N 3.28Å; N244-I246 PolarHBondContact O-N 3.36Å; N244-F247 CarbonylContact O-C 3.58Å; N244-F247 VanDerWaalsContact O-C 3.29Å; N244-F247 PolarHBondContact O-N 3.24Å; N244-M248 CarbonylContact O-C 3.56Å; N244-M248 WeakPolarHBondContact O-CA 3.43Å; N244-M248 PolarHBondContact O-N 3.18Å; N244-N249 WeakPolarHBondContact CB-OD1 3.43Å; N244-N249 PolarHBondContact O-N 2.89Å
245V90.5Very high80.8Confident50 Ų5059.9 Ų59.930%0.30332%0.317SS..Hα-helixtrans-62.2-45.9176.4171.90000112.2E241 D242 H243 F247 M248 K319E241-V245 WeakPolarHBondContact O-CG2 3.39Å; E241-V245 PolarHBondContact O-N 3.46Å; D242-V245 PolarHBondContact O-N 3.48Å; H243-V245 PolarHBondContact O-N 3.49Å; V245-F247 PolarHBondContact O-N 2.93Å; V245-M248 PolarHBondContact O-N 2.86Å; V245-M248 VanDerWaalsContact O-N 3.07Å; V245-K319 HydrophobicContact CB-CG 4.39Å; V245-K319 HydrophobicContact CG1-CB 3.83Å; V245-K319 HydrophobicContact CG1-CG 3.96Å
246I90.9Very high80.7Confident0 Ų054.1 Ų54.10%029%0.292CS..Hα-helixtrans-60.5-36.2179.5-73.7172.2000111.6L238 D242 H243 N244 A316 K319 I320 L323 L348L238-I246 HydrophobicContact CD1-CD1 3.67Å; D242-I246 WeakPolarHBondContact O-CB 3.32Å; D242-I246 VanDerWaalsContact O-CG1 3.3Å; D242-I246 WeakPolarHBondContact O-CG1 3.22Å; D242-I246 PolarHBondContact O-N 2.9Å; H243-I246 PolarHBondContact O-N 3.1Å; N244-I246 PolarHBondContact O-N 3.36Å; I246-A316 WeakPolarHBondContact O-CB 3.47Å; I246-K319 HydrophobicContact CD1-CG 4.4Å; I246-K319 HydrophobicContact CG1-CB 4.3Å; I246-K319 HydrophobicContact CG1-CG 3.99Å; I246-I320 HydrophobicContact CD1-CG1 4.03Å; I246-I320 HydrophobicContact CG1-CG1 3.88Å; I246-I320 HydrophobicContact CG2-CD1 4.12Å; I246-I320 HydrophobicContact CG2-CG1 4.05Å; I246-L323 HydrophobicContact CD1-CD1 3.8Å; I246-L348 HydrophobicContact CG2-CD2 4.43Å
247F90.3Very high80.8Confident10 Ų1048.4 Ų48.44%0.04426%0.26CS..THydrogen-bonded Turntrans-104.223.5177.8-60.2-73.9000112.7I226 F230 Y231 L234 H243 N244 V245 N249 L352I226-F247 HydrophobicContact CG2-CE1 4.43Å; F230-F247 HydrophobicContact CB-CE1 4.41Å; F230-F247 HydrophobicContact CB-CZ 4.19Å; Y231-F247 HydrophobicContact CD2-CB 3.92Å; Y231-F247 AromaticContact CD2-CD1 3.99Å; Y231-F247 HydrophobicContact CD2-CD1 3.99Å; Y231-F247 AromaticContact CD2-CD2 3.77Å; Y231-F247 HydrophobicContact CD2-CD2 3.77Å; Y231-F247 HydrophobicContact CD2-CE1 4.46Å; Y231-F247 HydrophobicContact CD2-CE2 4.28Å; Y231-F247 AromaticContact CD2-CG 3.61Å; Y231-F247 HydrophobicContact CD2-CG 3.61Å; Y231-F247 HydrophobicContact CE2-CB 4.13Å; Y231-F247 HydrophobicContact CE2-CD2 4.41Å; Y231-F247 HydrophobicContact CE2-CG 4.28Å; L234-F247 HydrophobicContact CB-CE2 4.5Å; L234-F247 HydrophobicContact CD1-CE2 4.43Å; L234-F247 HydrophobicContact CD1-CZ 4.18Å; H243-F247 AromaticContact CD2-CD2 3.79Å; H243-F247 AromaticContact CD2-CE2 3.75Å; H243-F247 AromaticContact CE1-CD2 3.86Å; H243-F247 AromaticContact NE2-CD2 3.63Å; H243-F247 AromaticContact NE2-CE2 3.67Å; H243-F247 WeakPolarHBondContact O-CD2 3.39Å; H243-F247 PolarHBondContact O-N 2.57Å; N244-F247 CarbonylContact O-C 3.58Å; N244-F247 VanDerWaalsContact O-C 3.29Å; N244-F247 PolarHBondContact O-N 3.24Å; V245-F247 PolarHBondContact O-N 2.93Å; F247-N249 PolarHBondContact O-N 2.91Å; F247-L352 HydrophobicContact CD1-CD2 4.47Å; F247-L352 HydrophobicContact CE1-CD2 4.48Å
248M85.9Confident80.7Confident14 Ų1452.9 Ų52.97%0.06927%0.268CS..THydrogen-bonded Turntrans63.331.3166.9-62155.5-86.700116.7N244 V245 L250 Y309 L313 A316 L352N244-M248 CarbonylContact O-C 3.56Å; N244-M248 WeakPolarHBondContact O-CA 3.43Å; N244-M248 PolarHBondContact O-N 3.18Å; V245-M248 PolarHBondContact O-N 2.86Å; V245-M248 VanDerWaalsContact O-N 3.07Å; M248-L250 HydrophobicContact CB-CD1 4.45Å; M248-L250 WeakPolarHBondContact O-CG 3.47Å; M248-L250 PolarHBondContact O-N 3.3Å; M248-Y309 HydrophobicContact CE-CD2 3.86Å; M248-Y309 HydrophobicContact CE-CE1 4.31Å; M248-Y309 HydrophobicContact CE-CE2 3.26Å; M248-Y309 HydrophobicContact SD-CD1 4.16Å; M248-Y309 HydrophobicContact SD-CD2 3.76Å; M248-Y309 HydrophobicContact SD-CE1 4.11Å; M248-Y309 HydrophobicContact SD-CE2 3.73Å; M248-Y309 HydrophobicContact SD-CG 3.98Å; M248-Y309 VanDerWaalsContact SD-O 3.34Å; M248-L313 HydrophobicContact SD-CB 4.16Å; M248-L313 HydrophobicContact SD-CD1 4.4Å; M248-A316 HydrophobicContact CG-CB 4.17Å; M248-L352 HydrophobicContact CE-CD2 4.33Å
249N62.2Low80.7Confident115 Ų11553.2 Ų53.262%0.61527%0.271SS*.THydrogen-bonded Turntrans56.1-1.1179.5-68.7-46.8000115.3N244 F247N244-N249 WeakPolarHBondContact CB-OD1 3.43Å; N244-N249 PolarHBondContact O-N 2.89Å; F247-N249 PolarHBondContact O-N 2.91Å
250L58.1Low80.8Confident40 Ų4047.2 Ų47.221%0.20925%0.248CC..SBendtrans-86.2140.9177.6-65.1158.3000105.5M248 A252 D308M248-L250 HydrophobicContact CB-CD1 4.45Å; M248-L250 WeakPolarHBondContact O-CG 3.47Å; M248-L250 PolarHBondContact O-N 3.3Å; L250-A252 HydrophobicContact CB-CB 3.05Å; L250-A252 HydrophobicContact CD1-CB 3.48Å; L250-A252 VanDerWaalsContact CD1-CB 3.48Å; L250-A252 HydrophobicContact CG-CB 3.82Å; L250-A252 PolarHBondContact O-N 2.8Å; L250-D308 HydrophobicContact CD1-CB 3.71Å; L250-D308 HydrophobicContact CD2-CB 3.8Å; L250-D308 HydrophobicContact CG-CB 4.2Å
251P58.8Low80.9Confident86 Ų8645 Ų4556%0.55823%0.233SC*.THydrogen-bonded Turntrans-55.419.8144.7-15.929.9000112.1S253 F254 V255P251-S253 VanDerWaalsContact C-N 3.31Å; P251-S253 PolarHBondContact O-N 3.44Å; P251-F254 WeakPolarHBondContact O-CA 3.32Å; P251-F254 VanDerWaalsContact O-CB 3.23Å; P251-F254 WeakPolarHBondContact O-CB 3.02Å; P251-F254 PolarHBondContact O-N 3.47Å; P251-V255 PolarHBondContact O-N 2.92Å; P251-V255 VanDerWaalsContact O-N 3.09Å
252A48Very low80.9Confident4 Ų440.4 Ų40.43%0.03322%0.218CC..Hα-helixtrans-69.2-22-163.400000113.8L250 F254 V255 L256L250-A252 HydrophobicContact CB-CB 3.05Å; L250-A252 HydrophobicContact CD1-CB 3.48Å; L250-A252 VanDerWaalsContact CD1-CB 3.48Å; L250-A252 HydrophobicContact CG-CB 3.82Å; L250-A252 PolarHBondContact O-N 2.8Å; A252-F254 PolarHBondContact O-N 3.42Å; A252-V255 PolarHBondContact O-N 2.89Å; A252-L256 HydrophobicContact CB-CG 4.42Å; A252-L256 VanDerWaalsContact O-CB 3.31Å; A252-L256 WeakPolarHBondContact O-CB 3.45Å; A252-L256 PolarHBondContact O-N 3.49Å
253S52.6Low81.1Confident18 Ų1840.1 Ų40.113%0.12622%0.217CC..Hα-helixtrans-57.1-35.5168.168.90000109.1P251 H257P251-S253 VanDerWaalsContact C-N 3.31Å; P251-S253 PolarHBondContact O-N 3.44Å; S253-H257 WeakPolarHBondContact O-CB 3.2Å; S253-H257 PolarHBondContact O-N 3.43Å
254F69.9Low81.2Confident85 Ų8540.4 Ų40.437%0.37322%0.218SC..Hα-helixtrans-80.5-38.5169.3-56.4-87.5000114.5M227 Y231 P251 A252 R258M227-F254 HydrophobicContact CE-CD1 3.21Å; M227-F254 HydrophobicContact CE-CD2 4.41Å; M227-F254 HydrophobicContact CE-CE1 3.15Å; M227-F254 HydrophobicContact CE-CE2 4.36Å; M227-F254 HydrophobicContact CE-CG 3.87Å; M227-F254 HydrophobicContact CE-CZ 3.77Å; Y231-F254 AromaticContact CE1-CE2 3.84Å; Y231-F254 HydrophobicContact CE1-CE2 3.84Å; Y231-F254 HydrophobicContact CE1-CZ 4.35Å; P251-F254 WeakPolarHBondContact O-CA 3.32Å; P251-F254 VanDerWaalsContact O-CB 3.23Å; P251-F254 WeakPolarHBondContact O-CB 3.02Å; P251-F254 PolarHBondContact O-N 3.47Å; A252-F254 PolarHBondContact O-N 3.42Å; F254-R258 WeakPolarHBondContact O-CB 3.26Å; F254-R258 WeakPolarHBondContact O-CD 3.08Å; F254-R258 WeakPolarHBondContact O-CG 3.46Å; F254-R258 PolarHBondContact O-N 2.93Å
255V82.5Confident81.3Confident58 Ų5840.1 Ų40.135%0.35222%0.222SC..Hα-helixtrans-66.6-51.6-178.6-178.30000110.7P251 A252 R258 V259 C305P251-V255 PolarHBondContact O-N 2.92Å; P251-V255 VanDerWaalsContact O-N 3.09Å; A252-V255 PolarHBondContact O-N 2.89Å; V255-R258 PolarHBondContact O-N 3.37Å; V255-V259 HydrophobicContact CG1-CG2 4.23Å; V255-V259 WeakPolarHBondContact O-CB 3.11Å; V255-V259 WeakPolarHBondContact O-CG2 3.24Å; V255-V259 PolarHBondContact O-N 3.08Å; V255-C305 HydrophobicContact CG1-CB 4.31Å
256L87.9Confident81.4Confident3 Ų340.4 Ų40.42%0.01622%0.22CC..Hα-helixtrans-60.6-50.3177-66.4180000110.1L223 A252 R258 V259 H260 Y306 Y309 P355L223-L256 HydrophobicContact CD1-CB 4.15Å; L223-L256 HydrophobicContact CD2-CB 4.44Å; A252-L256 HydrophobicContact CB-CG 4.42Å; A252-L256 VanDerWaalsContact O-CB 3.31Å; A252-L256 WeakPolarHBondContact O-CB 3.45Å; A252-L256 PolarHBondContact O-N 3.49Å; L256-R258 PolarHBondContact O-N 3.16Å; L256-V259 PolarHBondContact O-N 3.15Å; L256-H260 WeakPolarHBondContact O-CB 3.31Å; L256-H260 PolarHBondContact O-CD2 3.11Å; L256-H260 PolarHBondContact O-N 2.89Å; L256-Y306 HydrophobicContact CD1-CE1 4.21Å; L256-Y306 HydrophobicContact CD2-CD1 4.25Å; L256-Y306 HydrophobicContact CD2-CD2 4.02Å; L256-Y306 HydrophobicContact CD2-CE1 3.94Å; L256-Y306 HydrophobicContact CD2-CE2 3.72Å; L256-Y306 HydrophobicContact CD2-CG 4.3Å; L256-Y309 HydrophobicContact CD1-CD2 3.62Å; L256-Y309 HydrophobicContact CD1-CE2 3.83Å; L256-Y309 HydrophobicContact CD1-CG 4.2Å; L256-P355 HydrophobicContact CD1-CB 4.17Å
257H89.3Confident81.5Confident33 Ų3340.5 Ų40.515%0.15322%0.22CC..Hα-helixtrans-55.7-50.8177.9179.5-89000111.5L223 M227 S253 V259 H260 T261L223-H257 HydrophobicContact CB-CB 4.33Å; M227-H257 HydrophobicContact SD-CB 3.59Å; M227-H257 VanDerWaalsContact SD-CB 3.59Å; S253-H257 WeakPolarHBondContact O-CB 3.2Å; S253-H257 PolarHBondContact O-N 3.43Å; H257-V259 PolarHBondContact O-N 3.21Å; H257-H260 PolarHBondContact O-N 2.98Å; H257-T261 PolarHBondContact CE1-OG1 2.77Å; H257-T261 VanDerWaalsContact CE1-OG1 3.28Å; H257-T261 PolarHBondContact ND1-OG1 3.37Å; H257-T261 WeakPolarHBondContact O-CB 3.31Å; H257-T261 PolarHBondContact O-N 2.66Å; H257-T261 PolarHBondContact O-OG1 3.09Å
258R89.3Confident81.6Confident137 Ų13740.6 Ų40.652%0.51722%0.221SC..Hα-helixtrans-60.5-45.1179.5-74.1172.668.1-174.63.2112.8F254 V255 L256 H260 A262F254-R258 WeakPolarHBondContact O-CB 3.26Å; F254-R258 WeakPolarHBondContact O-CD 3.08Å; F254-R258 WeakPolarHBondContact O-CG 3.46Å; F254-R258 PolarHBondContact O-N 2.93Å; V255-R258 PolarHBondContact O-N 3.37Å; L256-R258 PolarHBondContact O-N 3.16Å; R258-H260 VanDerWaalsContact C-N 3.35Å; R258-A262 WeakPolarHBondContact O-CB 3.24Å; R258-A262 PolarHBondContact O-N 3Å
259V90.9Very high81.8Confident21 Ų2143 Ų4313%0.12724%0.237CC..Hα-helixtrans-61.6-46.1178.6171.80000109.8V255 L256 H257 A262 F263 Y299 L302 F303V255-V259 HydrophobicContact CG1-CG2 4.23Å; V255-V259 WeakPolarHBondContact O-CB 3.11Å; V255-V259 WeakPolarHBondContact O-CG2 3.24Å; V255-V259 PolarHBondContact O-N 3.08Å; L256-V259 PolarHBondContact O-N 3.15Å; H257-V259 PolarHBondContact O-N 3.21Å; V259-A262 PolarHBondContact O-N 3.18Å; V259-F263 VanDerWaalsContact O-CB 3.25Å; V259-F263 WeakPolarHBondContact O-CB 3.49Å; V259-F263 PolarHBondContact O-N 3.42Å; V259-Y299 HydrophobicContact CG1-CD1 4Å; V259-Y299 HydrophobicContact CG1-CE1 4.23Å; V259-Y299 WeakPolarHBondContact O-CE1 3.41Å; V259-L302 HydrophobicContact CG1-CB 4.12Å; V259-F303 HydrophobicContact CG1-CD1 3.81Å; V259-F303 HydrophobicContact CG1-CE1 3.68Å
260H94.4Very high83.1Confident0 Ų038 Ų380%021%0.211CC..Hα-helixtrans-72.9-34-179.4-77.3-84.4000113.7E216 Y219 V220 L223 L256 H257 R258 F263 L264 F303 Y306 Y362E216-H260 IonicContact OE1-CE1 2.79Å; E216-H260 IonicContact OE1-CG 3.72Å; E216-H260 IonicContact OE1-ND1 3.69Å; E216-H260 PolarHBondContact OE1-ND1 3.43Å; Y219-H260 AromaticContact CD1-ND1 3.72Å; Y219-H260 HydrophobicContact CE1-CB 4.41Å; Y219-H260 AromaticContact CE1-CD2 3.81Å; Y219-H260 AromaticContact CE1-CE1 3.6Å; Y219-H260 AromaticContact CE1-CG 3.63Å; Y219-H260 AromaticContact CE1-ND1 3.49Å; Y219-H260 WeakPolarHBondContact CE1-ND1 3.43Å; Y219-H260 AromaticContact CE1-NE2 3.83Å; V220-H260 HydrophobicContact CG2-CB 3.86Å; L223-H260 HydrophobicContact CD1-CB 4.13Å; L256-H260 WeakPolarHBondContact O-CB 3.31Å; L256-H260 PolarHBondContact O-CD2 3.11Å; L256-H260 PolarHBondContact O-N 2.89Å; H257-H260 PolarHBondContact O-N 2.98Å; R258-H260 VanDerWaalsContact C-N 3.35Å; H260-F263 PolarHBondContact O-N 2.89Å; H260-L264 VanDerWaalsContact O-CB 3.25Å; H260-L264 WeakPolarHBondContact O-CB 3.4Å; H260-L264 PolarHBondContact O-N 3.41Å; H260-F303 AromaticContact CE1-CE1 3.35Å; H260-F303 WeakPolarHBondContact CE1-CE1 3.05Å; H260-F303 AromaticContact CE1-CZ 3.84Å; H260-F303 AromaticContact NE2-CD1 3.82Å; H260-F303 AromaticContact NE2-CE1 3.4Å; H260-F303 WeakPolarHBondContact NE2-CE1 3.12Å; H260-Y306 PolarHBondContact CE1-OH 3.24Å; H260-Y306 AromaticContact NE2-CE2 3.5Å; H260-Y306 WeakPolarHBondContact NE2-CE2 3.41Å; H260-Y306 AromaticContact NE2-CZ 3.61Å; H260-Y306 PolarHBondContact NE2-OH 3.21Å; H260-Y362 PolarHBondContact CE1-OH 2.97Å; H260-Y362 PolarHBondContact ND1-OH 3.46Å
261T93.1Very high84.6Confident52 Ų5236.1 Ų36.132%0.31920%0.201SC..Hα-helixtrans-62.4-44.5171.5-56.40000111.1H257 S265H257-T261 PolarHBondContact CE1-OG1 2.77Å; H257-T261 VanDerWaalsContact CE1-OG1 3.28Å; H257-T261 PolarHBondContact ND1-OG1 3.37Å; H257-T261 WeakPolarHBondContact O-CB 3.31Å; H257-T261 PolarHBondContact O-N 2.66Å; H257-T261 PolarHBondContact O-OG1 3.09Å; T261-S265 PolarHBondContact O-N 2.85Å; T261-S265 VanDerWaalsContact O-N 3.12Å; T261-S265 PolarHBondContact O-OG 3.05Å
262A91.6Very high86.1Confident41 Ų4136 Ų3634%0.33919%0.189SC..Hα-helixtrans-65.1-44.8175.900000111R258 V259 S265 E266 Y299R258-A262 WeakPolarHBondContact O-CB 3.24Å; R258-A262 PolarHBondContact O-N 3Å; V259-A262 PolarHBondContact O-N 3.18Å; A262-S265 WeakPolarHBondContact O-CB 3.47Å; A262-S265 PolarHBondContact O-N 3.08Å; A262-S265 VanDerWaalsContact O-N 3.16Å; A262-E266 PolarHBondContact O-N 3.36Å; A262-E266 VanDerWaalsContact O-N 3.11Å; A262-Y299 HydrophobicContact CB-CE1 4.42Å; A262-Y299 VanDerWaalsContact CB-OH 3.31Å; A262-Y299 WeakPolarHBondContact CB-OH 3.41Å; A262-Y299 PolarHBondContact O-OH 3.35Å
263F94.9Very high87.8Confident0 Ų037.3 Ų37.30%020%0.196CC..Hα-helixtrans-59.9-47.4178.2179.1-117.4000112.5E216 V259 H260 S265 E266 I267 V295 F296 Y299 F303 Y362E216-F263 HydrophobicContact CG-CD1 4.09Å; E216-F263 HydrophobicContact CG-CE1 4.32Å; E216-F263 WeakPolarHBondContact OE1-CD1 3.4Å; V259-F263 VanDerWaalsContact O-CB 3.25Å; V259-F263 WeakPolarHBondContact O-CB 3.49Å; V259-F263 PolarHBondContact O-N 3.42Å; H260-F263 PolarHBondContact O-N 2.89Å; F263-S265 VanDerWaalsContact C-N 3.26Å; F263-S265 PolarHBondContact O-N 2.81Å; F263-E266 PolarHBondContact O-N 3.48Å; F263-I267 HydrophobicContact CD1-CD1 4.07Å; F263-I267 HydrophobicContact CD2-CD1 4.29Å; F263-I267 HydrophobicContact CD2-CG1 4.4Å; F263-I267 HydrophobicContact CE1-CD1 3.39Å; F263-I267 HydrophobicContact CE1-CG1 4.4Å; F263-I267 HydrophobicContact CE2-CD1 3.65Å; F263-I267 HydrophobicContact CE2-CG1 4.04Å; F263-I267 HydrophobicContact CG-CD1 4.49Å; F263-I267 HydrophobicContact CZ-CD1 3.15Å; F263-I267 HydrophobicContact CZ-CG1 4.06Å; F263-I267 PolarHBondContact O-N 2.95Å; F263-V295 HydrophobicContact CD2-CG1 3.82Å; F263-V295 HydrophobicContact CE2-CG1 3.83Å; F263-F296 HydrophobicContact CE1-CE1 4.33Å; F263-F296 HydrophobicContact CE2-CD1 4.16Å; F263-F296 HydrophobicContact CE2-CE1 4.31Å; F263-F296 HydrophobicContact CE2-CG 4.44Å; F263-F296 AromaticContact CZ-CD1 3.75Å; F263-F296 HydrophobicContact CZ-CD1 3.75Å; F263-F296 AromaticContact CZ-CE1 3.47Å; F263-F296 HydrophobicContact CZ-CE1 3.47Å; F263-F296 VanDerWaalsContact CZ-CE1 3.47Å; F263-F296 HydrophobicContact CZ-CE2 4.27Å; F263-F296 HydrophobicContact CZ-CG 4.32Å; F263-F296 AromaticContact CZ-CZ 3.75Å; F263-F296 HydrophobicContact CZ-CZ 3.75Å; F263-Y299 HydrophobicContact CB-CD1 3.8Å; F263-Y299 HydrophobicContact CB-CE1 3.56Å; F263-Y299 HydrophobicContact CB-CE2 4.48Å; F263-Y299 HydrophobicContact CB-CG 4.38Å; F263-Y299 AromaticContact CD2-CD1 3.84Å; F263-Y299 HydrophobicContact CD2-CD1 3.84Å; F263-Y299 AromaticContact CD2-CD2 3.66Å; F263-Y299 HydrophobicContact CD2-CD2 3.66Å; F263-Y299 HydrophobicContact CD2-CE1 4.22Å; F263-Y299 HydrophobicContact CD2-CE2 4.03Å; F263-Y299 AromaticContact CD2-CG 3.53Å; F263-Y299 HydrophobicContact CD2-CG 3.53Å; F263-Y299 HydrophobicContact CE2-CD2 4.34Å; F263-Y299 HydrophobicContact CE2-CG 4.23Å; F263-Y299 HydrophobicContact CG-CD1 4.18Å; F263-Y299 HydrophobicContact CG-CE1 4.35Å; F263-Y299 HydrophobicContact CG-CG 4.33Å; F263-Y299 PolarHBondContact N-OH 2.99Å; F263-F303 AromaticContact CD1-CZ 3.92Å; F263-F303 HydrophobicContact CD1-CZ 3.92Å; F263-F303 HydrophobicContact CD2-CZ 4.04Å; F263-F303 HydrophobicContact CE1-CZ 4.02Å; F263-F303 HydrophobicContact CE2-CE2 4.31Å; F263-F303 HydrophobicContact CE2-CZ 4.13Å; F263-F303 AromaticContact CG-CZ 3.91Å; F263-F303 HydrophobicContact CG-CZ 3.91Å; F263-F303 HydrophobicContact CZ-CE2 4.29Å; F263-F303 HydrophobicContact CZ-CZ 4.1Å; F263-Y362 AromaticContact CE1-CE1 3.97Å; F263-Y362 HydrophobicContact CE1-CE1 3.97Å
264L95Very high89.4Confident11 Ų1138.7 Ų38.76%0.05820%0.198CC..Hα-helixtrans-57-41.8174.6176.260.8000111.1V213 E216 R217 V220 H260 E266 I267 L268V213-L264 HydrophobicContact CG1-CD1 4.48Å; E216-L264 HydrophobicContact CB-CD1 4.01Å; E216-L264 HydrophobicContact CG-CB 4.05Å; E216-L264 HydrophobicContact CG-CD1 3.92Å; R217-L264 HydrophobicContact CB-CD1 4.43Å; R217-L264 HydrophobicContact CB-CD2 4.23Å; R217-L264 HydrophobicContact CG-CD2 4.42Å; V220-L264 HydrophobicContact CB-CD2 4.34Å; V220-L264 HydrophobicContact CG2-CB 4.33Å; V220-L264 HydrophobicContact CG2-CD2 4.03Å; H260-L264 VanDerWaalsContact O-CB 3.25Å; H260-L264 WeakPolarHBondContact O-CB 3.4Å; H260-L264 PolarHBondContact O-N 3.41Å; L264-E266 PolarHBondContact O-N 3.1Å; L264-I267 PolarHBondContact O-N 3.45Å; L264-L268 HydrophobicContact CD1-CD1 4.03Å; L264-L268 HydrophobicContact CD1-CG 4.04Å; L264-L268 HydrophobicContact CG-CD1 3.9Å; L264-L268 HydrophobicContact CG-CG 4.37Å; L264-L268 WeakPolarHBondContact O-CB 3.27Å; L264-L268 WeakPolarHBondContact O-CG 3.38Å; L264-L268 PolarHBondContact O-N 3.44Å
265S92.3Very high90.2Very high64 Ų6435.7 Ų35.745%0.44819%0.185SC..Hα-helixtrans-62.1-43.4178.9-58.50000112.1T261 A262 F263 V269T261-S265 PolarHBondContact O-N 2.85Å; T261-S265 VanDerWaalsContact O-N 3.12Å; T261-S265 PolarHBondContact O-OG 3.05Å; A262-S265 WeakPolarHBondContact O-CB 3.47Å; A262-S265 PolarHBondContact O-N 3.08Å; A262-S265 VanDerWaalsContact O-N 3.16Å; F263-S265 VanDerWaalsContact C-N 3.26Å; F263-S265 PolarHBondContact O-N 2.81Å; S265-V269 WeakPolarHBondContact O-CG2 3.39Å; S265-V269 PolarHBondContact O-N 3.17Å
266E92.4Very high90.1Very high57 Ų5736 Ų3627%0.26620%0.2SC..Hα-helixtrans-72.7-37.4178.2-68.8-169.3-142.600113A262 F263 L264 V269 S270 V295 K298 Y299A262-E266 PolarHBondContact O-N 3.36Å; A262-E266 VanDerWaalsContact O-N 3.11Å; F263-E266 PolarHBondContact O-N 3.48Å; L264-E266 PolarHBondContact O-N 3.1Å; E266-V269 PolarHBondContact O-N 3.21Å; E266-S270 PolarHBondContact O-N 3.5Å; E266-S270 VanDerWaalsContact O-N 3.08Å; E266-S270 PolarHBondContact O-OG 3.1Å; E266-V295 HydrophobicContact CB-CG1 3.75Å; E266-V295 HydrophobicContact CB-CG2 4.28Å; E266-K298 IonicContact OE1-NZ 2.79Å; E266-K298 PolarHBondContact OE1-NZ 3.23Å; E266-K298 IonicContact OE2-NZ 3.42Å; E266-K298 PolarHBondContact OE2-NZ 3.37Å; E266-Y299 PolarHBondContact OE1-OH 3.39Å; E266-Y299 VanDerWaalsContact OE1-OH 3.12Å
267I92.5Very high89.5Confident1 Ų140 Ų401%0.00522%0.219CC..Hα-helixtrans-63.2-42.2172.4-79.3-169.6000110.9L212 V213 F263 L264 V269 S270 A271 V295 F296L212-I267 HydrophobicContact CD2-CD1 4.24Å; L212-I267 HydrophobicContact CG-CD1 4.44Å; V213-I267 HydrophobicContact CG2-CG2 3.8Å; F263-I267 HydrophobicContact CD1-CD1 4.07Å; F263-I267 HydrophobicContact CD2-CD1 4.29Å; F263-I267 HydrophobicContact CD2-CG1 4.4Å; F263-I267 HydrophobicContact CE1-CD1 3.39Å; F263-I267 HydrophobicContact CE1-CG1 4.4Å; F263-I267 HydrophobicContact CE2-CD1 3.65Å; F263-I267 HydrophobicContact CE2-CG1 4.04Å; F263-I267 HydrophobicContact CG-CD1 4.49Å; F263-I267 HydrophobicContact CZ-CD1 3.15Å; F263-I267 HydrophobicContact CZ-CG1 4.06Å; F263-I267 PolarHBondContact O-N 2.95Å; L264-I267 PolarHBondContact O-N 3.45Å; I267-V269 VanDerWaalsContact C-N 3.33Å; I267-V269 PolarHBondContact O-N 2.91Å; I267-S270 PolarHBondContact O-N 2.9Å; I267-A271 WeakPolarHBondContact O-CB 3.22Å; I267-A271 PolarHBondContact O-N 2.93Å; I267-V295 HydrophobicContact CG1-CB 4.45Å; I267-V295 HydrophobicContact CG1-CG1 4Å; I267-F296 HydrophobicContact CD1-CE2 4.03Å; I267-F296 HydrophobicContact CD1-CZ 4.11Å
268L92.1Very high88.2Confident12 Ų1240.4 Ų40.46%0.06323%0.228CC..Hα-helixtrans-61-41.5177.7-78.9167.5000111.8F199 V213 L264 A271 R272F199-L268 HydrophobicContact CE2-CD2 4.13Å; F199-L268 HydrophobicContact CZ-CD2 4.48Å; V213-L268 HydrophobicContact CG1-CD2 3.44Å; V213-L268 VanDerWaalsContact CG1-CD2 3.44Å; V213-L268 HydrophobicContact CG1-CG 4.32Å; L264-L268 HydrophobicContact CD1-CD1 4.03Å; L264-L268 HydrophobicContact CD1-CG 4.04Å; L264-L268 HydrophobicContact CG-CD1 3.9Å; L264-L268 HydrophobicContact CG-CG 4.37Å; L264-L268 WeakPolarHBondContact O-CB 3.27Å; L264-L268 WeakPolarHBondContact O-CG 3.38Å; L264-L268 PolarHBondContact O-N 3.44Å; L268-A271 PolarHBondContact O-N 2.91Å; L268-R272 WeakPolarHBondContact O-CB 3.22Å; L268-R272 VanDerWaalsContact O-CG 3.26Å; L268-R272 WeakPolarHBondContact O-CG 3.39Å; L268-R272 PolarHBondContact O-N 3.06Å
269V89.8Confident86.7Confident66 Ų6638.9 Ų38.940%0.423%0.234SC..Hα-helixtrans-60.5-47.2174.5172.50000110.5S265 E266 I267 A271 R272 L273S265-V269 WeakPolarHBondContact O-CG2 3.39Å; S265-V269 PolarHBondContact O-N 3.17Å; E266-V269 PolarHBondContact O-N 3.21Å; I267-V269 VanDerWaalsContact C-N 3.33Å; I267-V269 PolarHBondContact O-N 2.91Å; V269-A271 PolarHBondContact O-N 2.87Å; V269-R272 PolarHBondContact O-N 2.82Å; V269-L273 HydrophobicContact CG1-CD1 4.35Å; V269-L273 WeakPolarHBondContact O-CG 3.11Å; V269-L273 PolarHBondContact O-N 3.35Å; V269-L273 VanDerWaalsContact O-N 3.17Å
270S89.8Confident84.6Confident9 Ų947.9 Ų47.96%0.06327%0.274CS..Hα-helixtrans-62.2-42.2178.7-53.60000112E266 I267 L273 W274 A290 V295E266-S270 PolarHBondContact O-N 3.5Å; E266-S270 VanDerWaalsContact O-N 3.08Å; E266-S270 PolarHBondContact O-OG 3.1Å; I267-S270 PolarHBondContact O-N 2.9Å; S270-L273 PolarHBondContact O-N 3.43Å; S270-W274 PolarHBondContact O-N 2.77Å; S270-W274 VanDerWaalsContact O-N 3.11Å; S270-A290 PolarHBondContact OG-O 3.32Å; S270-V295 WeakPolarHBondContact OG-CG2 3.49Å
271A90.2Very high82.7Confident0 Ų051.6 Ų51.60%031%0.313CS..Hα-helixtrans-66.3-44.9177.400000112.1F199 I209 V213 I267 L268 V269 L273 W274 F275F199-A271 HydrophobicContact CE2-CB 3.96Å; F199-A271 HydrophobicContact CZ-CB 3.82Å; I209-A271 HydrophobicContact CG2-CB 3.96Å; V213-A271 HydrophobicContact CG2-CB 3.88Å; I267-A271 WeakPolarHBondContact O-CB 3.22Å; I267-A271 PolarHBondContact O-N 2.93Å; L268-A271 PolarHBondContact O-N 2.91Å; V269-A271 PolarHBondContact O-N 2.87Å; A271-L273 VanDerWaalsContact C-N 3.25Å; A271-L273 PolarHBondContact O-N 3.38Å; A271-W274 WeakPolarHBondContact O-CA 3.48Å; A271-W274 VanDerWaalsContact O-CB 3.28Å; A271-W274 WeakPolarHBondContact O-CB 3.46Å; A271-W274 PolarHBondContact O-N 3.27Å; A271-F275 VanDerWaalsContact O-CD2 3.29Å; A271-F275 WeakPolarHBondContact O-CD2 3.04Å; A271-F275 PolarHBondContact O-N 2.89Å
272R89.8Confident80.8Confident84 Ų8451.7 Ų51.732%0.31731%0.314SS..Hα-helixtrans-57.2-40175.7-74.4168.8-174.3143.48.2112.3E198 F199 L268 V269 W274 G276 Q277E198-R272 IonicContact OE1-CZ 3.92Å; E198-R272 VanDerWaalsContact OE1-CZ 3.31Å; E198-R272 IonicContact OE1-NE 3.39Å; E198-R272 PolarHBondContact OE1-NE 3.34Å; E198-R272 IonicContact OE1-NH2 2.79Å; E198-R272 PolarHBondContact OE1-NH2 3.29Å; E198-R272 VanDerWaalsContact OE1-NH2 3.1Å; E198-R272 IonicContact OE2-CZ 3.61Å; E198-R272 IonicContact OE2-NE 2.7Å; E198-R272 IonicContact OE2-NH2 3.21Å; E198-R272 PolarHBondContact OE2-NH2 2.89Å; F199-R272 HydrophobicContact CE1-CG 4.01Å; F199-R272 HydrophobicContact CZ-CG 3.91Å; L268-R272 WeakPolarHBondContact O-CB 3.22Å; L268-R272 VanDerWaalsContact O-CG 3.26Å; L268-R272 WeakPolarHBondContact O-CG 3.39Å; L268-R272 PolarHBondContact O-N 3.06Å; V269-R272 PolarHBondContact O-N 2.82Å; R272-W274 VanDerWaalsContact C-N 3.33Å; R272-G276 PolarHBondContact O-N 3.3Å; R272-Q277 PolarHBondContact O-N 3.11Å
273L84.6Confident78.6Confident32 Ų3254.3 Ų54.317%0.16833%0.33CS..Hα-helixtrans-64.6-38.8175-67.6172000111.6V269 S270 A271 G276 A278 R289V269-L273 HydrophobicContact CG1-CD1 4.35Å; V269-L273 WeakPolarHBondContact O-CG 3.11Å; V269-L273 PolarHBondContact O-N 3.35Å; V269-L273 VanDerWaalsContact O-N 3.17Å; S270-L273 PolarHBondContact O-N 3.43Å; A271-L273 VanDerWaalsContact C-N 3.25Å; A271-L273 PolarHBondContact O-N 3.38Å; L273-G276 PolarHBondContact O-N 2.89Å; L273-A278 HydrophobicContact CD2-CB 3.87Å; L273-R289 HydrophobicContact CD1-CG 4.15Å
274W85.1Confident76.4Confident46 Ų4658.2 Ų58.217%0.17435%0.353CS..Hα-helixtrans-63.9-48.3175.1-165.4-68.3000112.4L205 I209 S270 A271 R272 G276 E379L205-W274 HydrophobicContact CD2-CH2 4.47Å; L205-W274 HydrophobicContact CD2-CZ2 3.62Å; L205-W274 HydrophobicContact CG-CZ2 4.05Å; I209-W274 HydrophobicContact CD1-CB 4.41Å; I209-W274 HydrophobicContact CD1-CD2 3.28Å; I209-W274 HydrophobicContact CD1-CE3 3.72Å; I209-W274 HydrophobicContact CD1-CG 3.56Å; I209-W274 HydrophobicContact CD1-CH2 4.3Å; I209-W274 HydrophobicContact CD1-CZ2 3.94Å; I209-W274 HydrophobicContact CD1-CZ3 4.15Å; S270-W274 PolarHBondContact O-N 2.77Å; S270-W274 VanDerWaalsContact O-N 3.11Å; A271-W274 WeakPolarHBondContact O-CA 3.48Å; A271-W274 VanDerWaalsContact O-CB 3.28Å; A271-W274 WeakPolarHBondContact O-CB 3.46Å; A271-W274 PolarHBondContact O-N 3.27Å; R272-W274 VanDerWaalsContact C-N 3.33Å; W274-G276 PolarHBondContact O-N 3.38Å; W274-G276 VanDerWaalsContact O-N 3.15Å; W274-E379 VanDerWaalsContact CE3-CD 3.4Å; W274-E379 VanDerWaalsContact CE3-OE2 3.24Å; W274-E379 HydrophobicContact CH2-CB 4.07Å; W274-E379 HydrophobicContact CH2-CG 4.45Å; W274-E379 WeakPolarHBondContact CH2-OE2 3.32Å; W274-E379 HydrophobicContact CZ3-CB 3.83Å; W274-E379 HydrophobicContact CZ3-CG 3.87Å; W274-E379 WeakPolarHBondContact CZ3-OE1 3.35Å; W274-E379 WeakPolarHBondContact CZ3-OE2 3.33Å
275F87.1Confident73.9Confident22 Ų2265 Ų6510%0.09639%0.39CS..THydrogen-bonded Turntrans-73.60.4179.7-78.3-84000113.8F199 E206 I209 A271 Q277F199-F275 HydrophobicContact CB-CD1 4.33Å; F199-F275 HydrophobicContact CB-CD2 4.23Å; F199-F275 HydrophobicContact CB-CE1 4Å; F199-F275 HydrophobicContact CB-CE2 3.91Å; F199-F275 HydrophobicContact CB-CG 4.45Å; F199-F275 HydrophobicContact CB-CZ 3.79Å; F199-F275 HydrophobicContact CD1-CB 3.96Å; F199-F275 HydrophobicContact CD1-CD1 4.2Å; F199-F275 AromaticContact CD1-CD2 3.36Å; F199-F275 HydrophobicContact CD1-CD2 3.36Å; F199-F275 AromaticContact CD1-CE2 3.87Å; F199-F275 HydrophobicContact CD1-CE2 3.87Å; F199-F275 AromaticContact CD1-CG 3.57Å; F199-F275 HydrophobicContact CD1-CG 3.57Å; F199-F275 HydrophobicContact CD1-CZ 4.46Å; F199-F275 HydrophobicContact CD2-CD2 4.45Å; F199-F275 HydrophobicContact CD2-CE2 4.26Å; F199-F275 HydrophobicContact CE1-CB 4.21Å; F199-F275 AromaticContact CE1-CD2 3.77Å; F199-F275 HydrophobicContact CE1-CD2 3.77Å; F199-F275 HydrophobicContact CE1-CE2 4.49Å; F199-F275 HydrophobicContact CE1-CG 4.16Å; F199-F275 AromaticContact CG-CD2 3.76Å; F199-F275 HydrophobicContact CG-CD2 3.76Å; F199-F275 AromaticContact CG-CE2 3.74Å; F199-F275 HydrophobicContact CG-CE2 3.74Å; F199-F275 HydrophobicContact CG-CG 4.22Å; F199-F275 HydrophobicContact CG-CZ 4.16Å; F199-F275 HydrophobicContact CZ-CD2 4.46Å; E206-F275 HydrophobicContact CB-CE1 3.8Å; E206-F275 HydrophobicContact CB-CZ 3.87Å; E206-F275 HydrophobicContact CG-CE1 3.88Å; E206-F275 HydrophobicContact CG-CZ 4.21Å; I209-F275 HydrophobicContact CB-CE2 4.3Å; I209-F275 HydrophobicContact CG2-CE2 3.88Å; A271-F275 VanDerWaalsContact O-CD2 3.29Å; A271-F275 WeakPolarHBondContact O-CD2 3.04Å; A271-F275 PolarHBondContact O-N 2.89Å; F275-Q277 VanDerWaalsContact C-N 3.29Å; F275-Q277 HydrophobicContact CB-CG 4.23Å; F275-Q277 PolarHBondContact O-N 3.12Å
276G80.2Confident71.4Confident66 Ų6663.2 Ų63.268%0.6838%0.381SS*.THydrogen-bonded Turntrans70.421.4-179.600000114.2R272 L273 W274R272-G276 PolarHBondContact O-N 3.3Å; L273-G276 PolarHBondContact O-N 2.89Å; W274-G276 PolarHBondContact O-N 3.38Å; W274-G276 VanDerWaalsContact O-N 3.15Å
277Q75Confident68.9Low86 Ų8668 Ų6840%0.40242%0.417SS..  trans-9828-178.2-64.4-179.1-12.700112.8R272 F275 T279R272-Q277 PolarHBondContact O-N 3.11Å; F275-Q277 VanDerWaalsContact C-N 3.29Å; F275-Q277 HydrophobicContact CB-CG 4.23Å; F275-Q277 PolarHBondContact O-N 3.12Å; Q277-T279 PolarHBondContact O-N 2.83Å
278A61.6Low66.9Low41 Ų4171.2 Ų71.234%0.33945%0.451SS..  trans-63.1126.5179.400000110.9L273 T284L273-A278 HydrophobicContact CD2-CB 3.87Å; A278-T284 HydrophobicContact CB-CG2 4.23Å
279T58.3Low65.6Low106 Ų10676.2 Ų76.265%0.6547%0.469SS*.  trans-74.5151.9174.647.20000111.5Q277 G281 T282Q277-T279 PolarHBondContact O-N 2.83Å; T279-G281 PolarHBondContact O-N 3.38Å; T279-T282 PolarHBondContact N-OG1 3.09Å; T279-T282 PolarHBondContact O-N 3.2Å; T279-T282 PolarHBondContact O-OG1 2.82Å; T279-T282 PolarHBondContact OG1-OG1 3.28Å
280E46.4Very low64.8Low209 Ų20975.1 Ų75.198%0.97747%0.467SS*.THydrogen-bonded Turntrans-60.6101.8171.7-70.4-175.6168.800109.6
281G54.2Low64.8Low79 Ų7976.1 Ų76.181%0.81447%0.471SS*.THydrogen-bonded Turntrans141.8-24.1-175.800000113.7T279 S283T279-G281 PolarHBondContact O-N 3.38Å; G281-S283 PolarHBondContact O-N 3.49Å
282T53.2Low64.9Low53 Ų5376.2 Ų76.233%0.32547%0.471SS..SBendtrans-76.7112.5168.6-30000108.2T279 T284T279-T282 PolarHBondContact N-OG1 3.09Å; T279-T282 PolarHBondContact O-N 3.2Å; T279-T282 PolarHBondContact O-OG1 2.82Å; T279-T282 PolarHBondContact OG1-OG1 3.28Å; T282-T284 PolarHBondContact O-N 2.72Å
283S46.5Very low65Low97 Ų9772.2 Ų72.268%0.67846%0.456SS*.  trans-61.5100177.8-171.70000109.7G281 N285 G286G281-S283 PolarHBondContact O-N 3.49Å; S283-N285 PolarHBondContact O-N 2.85Å; S283-G286 PolarHBondContact OG-N 3.27Å
284T47.5Very low65.4Low81 Ų8173.4 Ų73.450%0.49746%0.462SS..THydrogen-bonded Turntrans-70.6-14-179.748.60000113.2A278 T282A278-T284 HydrophobicContact CB-CG2 4.23Å; T282-T284 PolarHBondContact O-N 2.72Å
285N42.8Very low65.8Low154 Ų15471.2 Ų71.282%0.82445%0.454SS*.THydrogen-bonded Turntrans-127.316.5-172-65.8-29.6000113.7S283S283-N285 PolarHBondContact O-N 2.85Å
286G40.6Very low66.3Low26 Ų2670.2 Ų70.227%0.26845%0.45SS..SBendtrans-87.4153.8175.300000112.7S283 G288S283-G286 PolarHBondContact OG-N 3.27Å; G286-G288 PolarHBondContact O-N 2.84Å
287P39.4Very low66.9Low157 Ų15770.2 Ų70.2100%1.01944%0.436SS*.THydrogen-bonded Turntrans-69.944.1176.530.2-35.5000113.7
288G51.1Low67.6Low69 Ų6971.2 Ų71.271%0.71144%0.44SS*.THydrogen-bonded Turntrans-151.123.1-173.500000114.3G286 A290G286-G288 PolarHBondContact O-N 2.84Å; G288-A290 VanDerWaalsContact C-N 3.34Å; G288-A290 PolarHBondContact O-N 3.15Å
289R63.7Low69.2Low117 Ų11769.6 Ų69.644%0.44243%0.425SS..  trans-73.789.1170.1-173173.9-179.5174.6-1.8108.6L273 H291L273-R289 HydrophobicContact CD1-CG 4.15Å; R289-H291 PolarHBondContact O-N 2.83Å
290A74.6Confident70.8Confident43 Ų4365.4 Ų65.436%0.35540%0.397SS..  trans-69.4121.8170.800000108.7S270 G288 D294 V295S270-A290 PolarHBondContact OG-O 3.32Å; G288-A290 VanDerWaalsContact C-N 3.34Å; G288-A290 PolarHBondContact O-N 3.15Å; A290-D294 HydrophobicContact CB-CB 4.33Å; A290-V295 HydrophobicContact CB-CG2 4.48Å
291H88Confident72.8Confident31 Ų3161.1 Ų61.114%0.14437%0.372CS..  trans-80165.7171.7-60.2-73.8000110R289 G293 D294 V295 E379R289-H291 PolarHBondContact O-N 2.83Å; H291-G293 PolarHBondContact O-N 3.02Å; H291-G293 VanDerWaalsContact O-N 3.12Å; H291-D294 IonicContact CD2-OD2 2.88Å; H291-D294 IonicContact CG-OD2 3.88Å; H291-D294 PolarHBondContact N-OD2 2.85Å; H291-D294 WeakPolarHBondContact O-CB 3.33Å; H291-D294 PolarHBondContact O-N 3.32Å; H291-V295 PolarHBondContact O-N 2.86Å; H291-E379 HydrophobicContact CB-CG 4.07Å; H291-E379 VanDerWaalsContact CE1-CG 3.46Å; H291-E379 WeakPolarHBondContact CE1-CG 3.26Å; H291-E379 IonicContact CE1-OE1 2.73Å; H291-E379 PolarHBondContact CE1-OE1 3.26Å; H291-E379 IonicContact CG-OE1 3.25Å; H291-E379 WeakPolarHBondContact ND1-CG 3.34Å; H291-E379 IonicContact ND1-OE1 3.72Å; H291-E379 PolarHBondContact ND1-OE1 2.86Å
292V92.2Very high74.5Confident2 Ų261.6 Ų61.61%0.01236%0.356CS..Hα-helixtrans-50.5-43.1-178.5174.40000111.7L212 D294 V295 F296 L383L212-V292 HydrophobicContact CD2-CG1 3.81Å; V292-D294 PolarHBondContact O-N 3.43Å; V292-V295 PolarHBondContact O-N 2.78Å; V292-F296 HydrophobicContact CG1-CD2 4.24Å; V292-F296 HydrophobicContact CG1-CE2 3.92Å; V292-F296 VanDerWaalsContact O-CD2 3.28Å; V292-F296 WeakPolarHBondContact O-CD2 3.16Å; V292-F296 PolarHBondContact O-N 2.96Å; V292-L383 HydrophobicContact CB-CD2 4.13Å; V292-L383 HydrophobicContact CG1-CD2 4.25Å
293G93Very high76.4Confident0 Ų059 Ų590%034%0.34CS..Hα-helixtrans-64.8-35.4179.600000114.3H291 V295 F296 V297 S382H291-G293 PolarHBondContact O-N 3.02Å; H291-G293 VanDerWaalsContact O-N 3.12Å; G293-V295 VanDerWaalsContact C-N 3.3Å; G293-V295 PolarHBondContact O-N 3.2Å; G293-F296 WeakPolarHBondContact O-CB 3.46Å; G293-F296 PolarHBondContact O-N 3.23Å; G293-F296 VanDerWaalsContact O-N 3.16Å; G293-V297 WeakPolarHBondContact O-CG2 3.45Å; G293-V297 PolarHBondContact O-N 2.71Å; G293-V297 VanDerWaalsContact O-N 3.08Å; G293-S382 WeakPolarHBondContact CA-O 3.44Å; G293-S382 VanDerWaalsContact CA-OG 3.32Å; G293-S382 WeakPolarHBondContact CA-OG 3.45Å; G293-S382 PolarHBondContact N-OG 2.87Å
294D92.9Very high78.5Confident56 Ų5654.9 Ų54.930%0.29931%0.311SS..Hα-helixtrans-66.8-36.4179.8-54.6-34.8000110.8A290 H291 V292 F296 V297 K298 S382A290-D294 HydrophobicContact CB-CB 4.33Å; H291-D294 IonicContact CD2-OD2 2.88Å; H291-D294 IonicContact CG-OD2 3.88Å; H291-D294 PolarHBondContact N-OD2 2.85Å; H291-D294 WeakPolarHBondContact O-CB 3.33Å; H291-D294 PolarHBondContact O-N 3.32Å; V292-D294 PolarHBondContact O-N 3.43Å; D294-F296 VanDerWaalsContact C-N 3.33Å; D294-F296 PolarHBondContact O-N 3.4Å; D294-V297 PolarHBondContact O-N 3Å; D294-K298 WeakPolarHBondContact O-CB 3.31Å; D294-K298 PolarHBondContact O-N 2.56Å; D294-S382 PolarHBondContact N-OG 2.76Å; D294-S382 WeakPolarHBondContact OD1-CB 3.4Å; D294-S382 PolarHBondContact OD1-OG 3.4Å; D294-S382 PolarHBondContact OD2-OG 3.43Å
295V94.4Very high80.3Confident1 Ų152.3 Ų52.31%0.00630%0.296CS..Hα-helixtrans-60.5-44.8173.9-173.70000110F263 E266 I267 S270 A290 H291 V292 G293 V297 K298 Y299F263-V295 HydrophobicContact CD2-CG1 3.82Å; F263-V295 HydrophobicContact CE2-CG1 3.83Å; E266-V295 HydrophobicContact CB-CG1 3.75Å; E266-V295 HydrophobicContact CB-CG2 4.28Å; I267-V295 HydrophobicContact CG1-CB 4.45Å; I267-V295 HydrophobicContact CG1-CG1 4Å; S270-V295 WeakPolarHBondContact OG-CG2 3.49Å; A290-V295 HydrophobicContact CB-CG2 4.48Å; H291-V295 PolarHBondContact O-N 2.86Å; V292-V295 PolarHBondContact O-N 2.78Å; G293-V295 VanDerWaalsContact C-N 3.3Å; G293-V295 PolarHBondContact O-N 3.2Å; V295-V297 PolarHBondContact O-N 3.33Å; V295-K298 WeakPolarHBondContact O-CB 3.47Å; V295-K298 PolarHBondContact O-N 2.79Å; V295-Y299 HydrophobicContact CG1-CD2 3.96Å; V295-Y299 HydrophobicContact CG1-CE2 4.01Å; V295-Y299 VanDerWaalsContact O-CD2 3.26Å; V295-Y299 WeakPolarHBondContact O-CD2 3.47Å; V295-Y299 PolarHBondContact O-N 3.08Å; V295-Y299 VanDerWaalsContact O-N 3.07Å
296F96.3Very high82.6Confident0 Ų045 Ų450%026%0.257CS..Hα-helixtrans-62.2-42.4175.8-80.1-82.1000113.2L212 F263 I267 V292 G293 D294 K298 Y299 K300 Y362 L366 M390L212-F296 HydrophobicContact CD1-CE2 4.46Å; L212-F296 HydrophobicContact CD1-CZ 3.81Å; L212-F296 HydrophobicContact CD2-CE2 3.84Å; L212-F296 HydrophobicContact CD2-CZ 4.04Å; F263-F296 HydrophobicContact CE1-CE1 4.33Å; F263-F296 HydrophobicContact CE2-CD1 4.16Å; F263-F296 HydrophobicContact CE2-CE1 4.31Å; F263-F296 HydrophobicContact CE2-CG 4.44Å; F263-F296 AromaticContact CZ-CD1 3.75Å; F263-F296 HydrophobicContact CZ-CD1 3.75Å; F263-F296 AromaticContact CZ-CE1 3.47Å; F263-F296 HydrophobicContact CZ-CE1 3.47Å; F263-F296 VanDerWaalsContact CZ-CE1 3.47Å; F263-F296 HydrophobicContact CZ-CE2 4.27Å; F263-F296 HydrophobicContact CZ-CG 4.32Å; F263-F296 AromaticContact CZ-CZ 3.75Å; F263-F296 HydrophobicContact CZ-CZ 3.75Å; I267-F296 HydrophobicContact CD1-CE2 4.03Å; I267-F296 HydrophobicContact CD1-CZ 4.11Å; V292-F296 HydrophobicContact CG1-CD2 4.24Å; V292-F296 HydrophobicContact CG1-CE2 3.92Å; V292-F296 VanDerWaalsContact O-CD2 3.28Å; V292-F296 WeakPolarHBondContact O-CD2 3.16Å; V292-F296 PolarHBondContact O-N 2.96Å; G293-F296 WeakPolarHBondContact O-CB 3.46Å; G293-F296 PolarHBondContact O-N 3.23Å; G293-F296 VanDerWaalsContact O-N 3.16Å; D294-F296 VanDerWaalsContact C-N 3.33Å; D294-F296 PolarHBondContact O-N 3.4Å; F296-K298 VanDerWaalsContact C-N 3.33Å; F296-K298 PolarHBondContact O-N 3.28Å; F296-Y299 PolarHBondContact O-N 2.85Å; F296-K300 PolarHBondContact O-N 2.74Å; F296-K300 VanDerWaalsContact O-N 3.08Å; F296-Y362 AromaticContact CE1-CD1 3.53Å; F296-Y362 HydrophobicContact CE1-CD1 3.53Å; F296-Y362 HydrophobicContact CE1-CE1 4.17Å; F296-Y362 AromaticContact CE1-CG 3.77Å; F296-Y362 HydrophobicContact CE1-CG 3.77Å; F296-Y362 AromaticContact CZ-CD1 3.99Å; F296-Y362 HydrophobicContact CZ-CD1 3.99Å; F296-L366 HydrophobicContact CB-CD1 4.32Å; F296-L366 HydrophobicContact CD1-CD1 3.91Å; F296-L366 HydrophobicContact CD2-CD1 3.82Å; F296-L366 HydrophobicContact CD2-CD2 3.84Å; F296-L366 HydrophobicContact CD2-CG 4.28Å; F296-L366 HydrophobicContact CE1-CD1 4.04Å; F296-L366 HydrophobicContact CE2-CD1 4Å; F296-L366 HydrophobicContact CE2-CD2 3.62Å; F296-L366 HydrophobicContact CE2-CG 4.04Å; F296-L366 HydrophobicContact CG-CD1 3.76Å; F296-L366 HydrophobicContact CZ-CD1 4.08Å; F296-L366 HydrophobicContact CZ-CD2 4.21Å; F296-L366 HydrophobicContact CZ-CG 4.15Å; F296-M390 HydrophobicContact CB-CE 4.44Å; F296-M390 HydrophobicContact CB-CG 4.26Å; F296-M390 HydrophobicContact CD1-CE 4.27Å; F296-M390 HydrophobicContact CD1-CG 3.43Å; F296-M390 VanDerWaalsContact CD1-CG 3.43Å; F296-M390 HydrophobicContact CD1-SD 3.66Å; F296-M390 HydrophobicContact CE1-CG 4.04Å; F296-M390 HydrophobicContact CE1-SD 4.26Å; F296-M390 HydrophobicContact CG-CG 4.16Å; F296-M390 WeakPolarHBondContact O-CE 3.46Å
297V93.3Very high84.9Confident66 Ų6644.1 Ų44.140%0.425%0.247SC..Hα-helixtrans-59.9-45.9177175.90000110.5G293 D294 V295 Y299 K300 L385 A389G293-V297 WeakPolarHBondContact O-CG2 3.45Å; G293-V297 PolarHBondContact O-N 2.71Å; G293-V297 VanDerWaalsContact O-N 3.08Å; D294-V297 PolarHBondContact O-N 3Å; V295-V297 PolarHBondContact O-N 3.33Å; V297-Y299 VanDerWaalsContact C-N 3.32Å; V297-Y299 PolarHBondContact O-N 3.04Å; V297-K300 WeakPolarHBondContact O-CB 3.46Å; V297-K300 PolarHBondContact O-N 3.05Å; V297-L385 HydrophobicContact CG2-CB 3.93Å; V297-A389 HydrophobicContact CG2-CB 4.29Å
298K90.6Very high87.1Confident108 Ų10840.7 Ų40.747%0.4722%0.22SC..Hα-helixtrans-57.6-42.2177.1-177.3-171.7-176.1-172.40112.4E266 D294 V295 F296E266-K298 IonicContact OE1-NZ 2.79Å; E266-K298 PolarHBondContact OE1-NZ 3.23Å; E266-K298 IonicContact OE2-NZ 3.42Å; E266-K298 PolarHBondContact OE2-NZ 3.37Å; D294-K298 WeakPolarHBondContact O-CB 3.31Å; D294-K298 PolarHBondContact O-N 2.56Å; V295-K298 WeakPolarHBondContact O-CB 3.47Å; V295-K298 PolarHBondContact O-N 2.79Å; F296-K298 VanDerWaalsContact C-N 3.33Å; F296-K298 PolarHBondContact O-N 3.28Å
299Y93.6Very high88.8Confident7 Ų738 Ų383%0.02719%0.188CC..Hα-helixtrans-84.7-10.2-175.4-82.5-101.4000114.6V259 A262 F263 E266 V295 F296 V297 R301 L302 F303V259-Y299 HydrophobicContact CG1-CD1 4Å; V259-Y299 HydrophobicContact CG1-CE1 4.23Å; V259-Y299 WeakPolarHBondContact O-CE1 3.41Å; A262-Y299 HydrophobicContact CB-CE1 4.42Å; A262-Y299 VanDerWaalsContact CB-OH 3.31Å; A262-Y299 WeakPolarHBondContact CB-OH 3.41Å; A262-Y299 PolarHBondContact O-OH 3.35Å; F263-Y299 HydrophobicContact CB-CD1 3.8Å; F263-Y299 HydrophobicContact CB-CE1 3.56Å; F263-Y299 HydrophobicContact CB-CE2 4.48Å; F263-Y299 HydrophobicContact CB-CG 4.38Å; F263-Y299 AromaticContact CD2-CD1 3.84Å; F263-Y299 HydrophobicContact CD2-CD1 3.84Å; F263-Y299 AromaticContact CD2-CD2 3.66Å; F263-Y299 HydrophobicContact CD2-CD2 3.66Å; F263-Y299 HydrophobicContact CD2-CE1 4.22Å; F263-Y299 HydrophobicContact CD2-CE2 4.03Å; F263-Y299 AromaticContact CD2-CG 3.53Å; F263-Y299 HydrophobicContact CD2-CG 3.53Å; F263-Y299 HydrophobicContact CE2-CD2 4.34Å; F263-Y299 HydrophobicContact CE2-CG 4.23Å; F263-Y299 HydrophobicContact CG-CD1 4.18Å; F263-Y299 HydrophobicContact CG-CE1 4.35Å; F263-Y299 HydrophobicContact CG-CG 4.33Å; F263-Y299 PolarHBondContact N-OH 2.99Å; E266-Y299 PolarHBondContact OE1-OH 3.39Å; E266-Y299 VanDerWaalsContact OE1-OH 3.12Å; V295-Y299 HydrophobicContact CG1-CD2 3.96Å; V295-Y299 HydrophobicContact CG1-CE2 4.01Å; V295-Y299 VanDerWaalsContact O-CD2 3.26Å; V295-Y299 WeakPolarHBondContact O-CD2 3.47Å; V295-Y299 PolarHBondContact O-N 3.08Å; V295-Y299 VanDerWaalsContact O-N 3.07Å; F296-Y299 PolarHBondContact O-N 2.85Å; V297-Y299 VanDerWaalsContact C-N 3.32Å; V297-Y299 PolarHBondContact O-N 3.04Å; Y299-R301 VanDerWaalsContact C-N 3.31Å; Y299-R301 PolarHBondContact O-N 2.85Å; Y299-L302 HydrophobicContact CD1-CB 4.42Å; Y299-L302 HydrophobicContact CD1-CD1 3.86Å; Y299-L302 HydrophobicContact CE1-CD1 3.96Å; Y299-L302 HydrophobicContact CG-CD1 4.41Å; Y299-L302 PolarHBondContact O-N 3.39Å; Y299-F303 HydrophobicContact CD1-CE1 4.38Å; Y299-F303 HydrophobicContact CD1-CZ 4.32Å; Y299-F303 PolarHBondContact O-N 3.2Å
300K93.1Very high89.9Confident17 Ų1732.9 Ų32.97%0.07417%0.17CC..THydrogen-bonded Turntrans-44.8-51.2179.2-175.4-165.2179.9-162.70113.1F296 V297 A389 M390 D392 E543 F550F296-K300 PolarHBondContact O-N 2.74Å; F296-K300 VanDerWaalsContact O-N 3.08Å; V297-K300 WeakPolarHBondContact O-CB 3.46Å; V297-K300 PolarHBondContact O-N 3.05Å; K300-A389 HydrophobicContact CB-CB 4.35Å; K300-A389 HydrophobicContact CD-CB 3.99Å; K300-A389 HydrophobicContact CG-CB 4.24Å; K300-M390 HydrophobicContact CB-CE 4.12Å; K300-M390 HydrophobicContact CG-CE 4.49Å; K300-D392 WeakPolarHBondContact CE-OD2 3.44Å; K300-D392 IonicContact NZ-OD2 2.74Å; K300-D392 PolarHBondContact NZ-OD2 2.79Å; K300-E543 IonicContact NZ-OE1 2.96Å; K300-E543 PolarHBondContact NZ-OE1 2.99Å; K300-F550 HydrophobicContact CD-CE2 4.16Å; K300-F550 HydrophobicContact CD-CZ 4.27Å; K300-F550 HydrophobicContact CG-CE2 4Å; K300-F550 HydrophobicContact CG-CZ 4.17Å
301R88.4Confident90.4Very high119 Ų11933.2 Ų33.245%0.44917%0.17SC..THydrogen-bonded Turntrans-74.2-33.2-178.8-72.1-172.2174.2-165.62.3113.2Y299 F303 C304 E543 D800Y299-R301 VanDerWaalsContact C-N 3.31Å; Y299-R301 PolarHBondContact O-N 2.85Å; R301-F303 VanDerWaalsContact C-N 3.3Å; R301-F303 PolarHBondContact O-N 2.9Å; R301-C304 WeakPolarHBondContact O-CB 3.47Å; R301-C304 PolarHBondContact O-N 2.94Å; R301-C304 VanDerWaalsContact O-N 3.1Å; R301-C304 PolarHBondContact O-SG 3.36Å; R301-E543 IonicContact CZ-OE2 3.68Å; R301-E543 IonicContact NE-OE2 3.87Å; R301-E543 IonicContact NH2-OE2 3.59Å; R301-E543 PolarHBondContact NH2-OE2 3.37Å; R301-D800 IonicContact CZ-OD1 2.62Å; R301-D800 IonicContact CZ-OD2 3.32Å; R301-D800 IonicContact NH1-OD1 2.63Å; R301-D800 PolarHBondContact NH1-OD1 2.86Å; R301-D800 IonicContact NH1-OD2 3.96Å; R301-D800 PolarHBondContact NH1-OD2 3.36Å; R301-D800 IonicContact NH2-OD1 3.91Å; R301-D800 PolarHBondContact NH2-OD1 2.86Å; R301-D800 IonicContact NH2-OD2 3.54Å
302L89.9Confident90.4Very high89 Ų8932.8 Ų32.847%0.46617%0.174SC..G310 helixtrans-66.9-36176.5-66175.4000111.1V259 Y299 C304 C305V259-L302 HydrophobicContact CG1-CB 4.12Å; Y299-L302 HydrophobicContact CD1-CB 4.42Å; Y299-L302 HydrophobicContact CD1-CD1 3.86Å; Y299-L302 HydrophobicContact CE1-CD1 3.96Å; Y299-L302 HydrophobicContact CG-CD1 4.41Å; Y299-L302 PolarHBondContact O-N 3.39Å; L302-C304 PolarHBondContact O-N 3.45Å; L302-C305 PolarHBondContact O-N 2.9Å; L302-C305 PolarHBondContact O-SG 3.49Å
303F93.4Very high90.2Very high0 Ų033.6 Ų33.60%018%0.178CC..G310 helixtrans-70.5-4.4173-63.6-35.4000114V259 H260 F263 Y299 R301 C305 Y306 Y362 M390 L393V259-F303 HydrophobicContact CG1-CD1 3.81Å; V259-F303 HydrophobicContact CG1-CE1 3.68Å; H260-F303 AromaticContact CE1-CE1 3.35Å; H260-F303 WeakPolarHBondContact CE1-CE1 3.05Å; H260-F303 AromaticContact CE1-CZ 3.84Å; H260-F303 AromaticContact NE2-CD1 3.82Å; H260-F303 AromaticContact NE2-CE1 3.4Å; H260-F303 WeakPolarHBondContact NE2-CE1 3.12Å; F263-F303 AromaticContact CD1-CZ 3.92Å; F263-F303 HydrophobicContact CD1-CZ 3.92Å; F263-F303 HydrophobicContact CD2-CZ 4.04Å; F263-F303 HydrophobicContact CE1-CZ 4.02Å; F263-F303 HydrophobicContact CE2-CE2 4.31Å; F263-F303 HydrophobicContact CE2-CZ 4.13Å; F263-F303 AromaticContact CG-CZ 3.91Å; F263-F303 HydrophobicContact CG-CZ 3.91Å; F263-F303 HydrophobicContact CZ-CE2 4.29Å; F263-F303 HydrophobicContact CZ-CZ 4.1Å; Y299-F303 HydrophobicContact CD1-CE1 4.38Å; Y299-F303 HydrophobicContact CD1-CZ 4.32Å; Y299-F303 PolarHBondContact O-N 3.2Å; R301-F303 VanDerWaalsContact C-N 3.3Å; R301-F303 PolarHBondContact O-N 2.9Å; F303-C305 PolarHBondContact O-N 3.2Å; F303-C305 VanDerWaalsContact O-N 3.17Å; F303-Y306 HydrophobicContact CB-CD2 4.21Å; F303-Y306 HydrophobicContact CD1-CE2 4.11Å; F303-Y306 WeakPolarHBondContact O-CB 3.38Å; F303-Y306 VanDerWaalsContact O-CD2 3.3Å; F303-Y306 WeakPolarHBondContact O-CD2 3.43Å; F303-Y306 PolarHBondContact O-N 3.35Å; F303-Y306 VanDerWaalsContact O-N 3.14Å; F303-Y362 HydrophobicContact CE2-CE2 4.24Å; F303-Y362 HydrophobicContact CZ-CE2 4.31Å; F303-M390 HydrophobicContact CD2-CE 4.06Å; F303-M390 HydrophobicContact CD2-SD 4.1Å; F303-M390 HydrophobicContact CE2-CE 4.41Å; F303-M390 HydrophobicContact CE2-SD 4.21Å; F303-L393 HydrophobicContact CB-CD1 4.36Å; F303-L393 HydrophobicContact CB-CD2 3.46Å; F303-L393 VanDerWaalsContact CB-CD2 3.46Å; F303-L393 HydrophobicContact CD2-CD2 3.94Å; F303-L393 HydrophobicContact CG-CD2 4.16Å
304C89.7Confident89.7Confident10 Ų1036 Ų367%0.06819%0.194CC..G310 helixtrans-63.2-18.5169.6-670000112.8R301 L302 Y306 S307 P541 F550R301-C304 WeakPolarHBondContact O-CB 3.47Å; R301-C304 PolarHBondContact O-N 2.94Å; R301-C304 VanDerWaalsContact O-N 3.1Å; R301-C304 PolarHBondContact O-SG 3.36Å; L302-C304 PolarHBondContact O-N 3.45Å; C304-Y306 PolarHBondContact O-N 2.9Å; C304-S307 WeakPolarHBondContact O-CB 3.34Å; C304-S307 PolarHBondContact O-N 3.35Å; C304-S307 PolarHBondContact O-OG 3.01Å; C304-P541 HydrophobicContact CB-CB 4.14Å; C304-P541 HydrophobicContact CB-CG 3.59Å; C304-F550 WeakPolarHBondContact SG-CZ 3.34Å
305C86.4Confident89.4Confident27 Ų2734.4 Ų34.418%0.18219%0.191CC..G310 helixtrans-58.5-18172.764.40000113.7V255 L302 F303 S307 D308V255-C305 HydrophobicContact CG1-CB 4.31Å; L302-C305 PolarHBondContact O-N 2.9Å; L302-C305 PolarHBondContact O-SG 3.49Å; F303-C305 PolarHBondContact O-N 3.2Å; F303-C305 VanDerWaalsContact O-N 3.17Å; C305-S307 PolarHBondContact O-N 3.33Å; C305-D308 PolarHBondContact O-N 3.14Å
306Y90.8Very high89.2Confident0 Ų034.3 Ų34.30%019%0.191CC..Hα-helixtrans-63.5-21.8170.2-80.8-83.8000113.2Y219 L256 H260 F303 C304 D308 Y309 C310 P355 V359 L397Y219-Y306 PolarHBondContact OH-OH 3.06Å; L256-Y306 HydrophobicContact CD1-CE1 4.21Å; L256-Y306 HydrophobicContact CD2-CD1 4.25Å; L256-Y306 HydrophobicContact CD2-CD2 4.02Å; L256-Y306 HydrophobicContact CD2-CE1 3.94Å; L256-Y306 HydrophobicContact CD2-CE2 3.72Å; L256-Y306 HydrophobicContact CD2-CG 4.3Å; H260-Y306 PolarHBondContact CE1-OH 3.24Å; H260-Y306 AromaticContact NE2-CE2 3.5Å; H260-Y306 WeakPolarHBondContact NE2-CE2 3.41Å; H260-Y306 AromaticContact NE2-CZ 3.61Å; H260-Y306 PolarHBondContact NE2-OH 3.21Å; F303-Y306 HydrophobicContact CB-CD2 4.21Å; F303-Y306 HydrophobicContact CD1-CE2 4.11Å; F303-Y306 WeakPolarHBondContact O-CB 3.38Å; F303-Y306 VanDerWaalsContact O-CD2 3.3Å; F303-Y306 WeakPolarHBondContact O-CD2 3.43Å; F303-Y306 PolarHBondContact O-N 3.35Å; F303-Y306 VanDerWaalsContact O-N 3.14Å; C304-Y306 PolarHBondContact O-N 2.9Å; Y306-D308 VanDerWaalsContact C-N 3.31Å; Y306-D308 PolarHBondContact O-N 3.17Å; Y306-Y309 WeakPolarHBondContact O-CB 3.42Å; Y306-Y309 PolarHBondContact O-N 3.27Å; Y306-C310 WeakPolarHBondContact O-CB 2.9Å; Y306-C310 PolarHBondContact O-N 3.06Å; Y306-C310 PolarHBondContact O-SG 3.22Å; Y306-P355 HydrophobicContact CE1-CB 3.79Å; Y306-P355 WeakPolarHBondContact CE1-O 3.46Å; Y306-V359 HydrophobicContact CD1-CB 4.28Å; Y306-V359 HydrophobicContact CD1-CG1 3.86Å; Y306-V359 HydrophobicContact CD2-CB 4.1Å; Y306-V359 HydrophobicContact CD2-CG1 4.38Å; Y306-V359 HydrophobicContact CD2-CG2 3.91Å; Y306-V359 HydrophobicContact CE1-CB 4.14Å; Y306-V359 HydrophobicContact CE1-CG1 4.05Å; Y306-V359 HydrophobicContact CE2-CB 3.93Å; Y306-V359 HydrophobicContact CE2-CG2 4.02Å; Y306-V359 HydrophobicContact CG-CB 4.25Å; Y306-V359 HydrophobicContact CG-CG1 4.02Å; Y306-V359 HydrophobicContact CG-CG2 4.31Å; Y306-L397 HydrophobicContact CG-CD1 4.48Å
307S88Confident88.8Confident8 Ų835.8 Ų35.86%0.05620%0.198CC..Hα-helixtrans-60.2-43.1176.461.20000112.1C304 C305 Y309 S311C304-S307 WeakPolarHBondContact O-CB 3.34Å; C304-S307 PolarHBondContact O-N 3.35Å; C304-S307 PolarHBondContact O-OG 3.01Å; C305-S307 PolarHBondContact O-N 3.33Å; S307-Y309 VanDerWaalsContact C-N 3.35Å; S307-S311 WeakPolarHBondContact O-CB 3.22Å; S307-S311 PolarHBondContact O-N 2.69Å; S307-S311 PolarHBondContact O-OG 2.73Å
308D85.1Confident88.5Confident84 Ų8437 Ų3745%0.44920%0.195SC..Hα-helixtrans-69.3-38.7179.2-59.7-27000110.4L250 C305 Y306 S311 G312L250-D308 HydrophobicContact CD1-CB 3.71Å; L250-D308 HydrophobicContact CD2-CB 3.8Å; L250-D308 HydrophobicContact CG-CB 4.2Å; C305-D308 PolarHBondContact O-N 3.14Å; Y306-D308 VanDerWaalsContact C-N 3.31Å; Y306-D308 PolarHBondContact O-N 3.17Å; D308-S311 PolarHBondContact O-N 3.22Å; D308-G312 PolarHBondContact O-N 2.62Å; D308-G312 VanDerWaalsContact O-N 3.15Å
309Y88.4Confident88.5Confident12 Ų1233.7 Ų33.75%0.04718%0.181CC..Hα-helixtrans-60.6-52.2175.2-167.8-88.4000111.7M248 L256 Y306 S307 S311 G312 L313 L352 P355M248-Y309 HydrophobicContact CE-CD2 3.86Å; M248-Y309 HydrophobicContact CE-CE1 4.31Å; M248-Y309 HydrophobicContact CE-CE2 3.26Å; M248-Y309 HydrophobicContact SD-CD1 4.16Å; M248-Y309 HydrophobicContact SD-CD2 3.76Å; M248-Y309 HydrophobicContact SD-CE1 4.11Å; M248-Y309 HydrophobicContact SD-CE2 3.73Å; M248-Y309 HydrophobicContact SD-CG 3.98Å; M248-Y309 VanDerWaalsContact SD-O 3.34Å; L256-Y309 HydrophobicContact CD1-CD2 3.62Å; L256-Y309 HydrophobicContact CD1-CE2 3.83Å; L256-Y309 HydrophobicContact CD1-CG 4.2Å; Y306-Y309 WeakPolarHBondContact O-CB 3.42Å; Y306-Y309 PolarHBondContact O-N 3.27Å; S307-Y309 VanDerWaalsContact C-N 3.35Å; Y309-S311 VanDerWaalsContact C-N 3.26Å; Y309-S311 PolarHBondContact O-N 3.07Å; Y309-G312 PolarHBondContact O-N 3.15Å; Y309-L313 HydrophobicContact CE1-CD1 4.48Å; Y309-L313 PolarHBondContact O-N 3.46Å; Y309-L313 VanDerWaalsContact O-N 3.07Å; Y309-L352 WeakPolarHBondContact CE1-O 3.27Å; Y309-L352 PolarHBondContact OH-O 3.4Å; Y309-P355 HydrophobicContact CD1-CB 4.43Å; Y309-P355 HydrophobicContact CE1-CB 3.82Å; Y309-P355 HydrophobicContact CE1-CG 4.18Å; Y309-P355 HydrophobicContact CE2-CB 4.5Å; Y309-P355 HydrophobicContact CE2-CG 4.48Å; Y309-P355 WeakPolarHBondContact OH-CG 3.28Å
310C86.6Confident88.4Confident11 Ų1133.4 Ų33.47%0.07418%0.18CC..Hα-helixtrans-58.7-39.4177.4-63.80000111.8Y306 G312 M356 V400Y306-C310 WeakPolarHBondContact O-CB 2.9Å; Y306-C310 PolarHBondContact O-N 3.06Å; Y306-C310 PolarHBondContact O-SG 3.22Å; C310-G312 VanDerWaalsContact C-N 3.29Å; C310-G312 PolarHBondContact O-N 3.26Å; C310-M356 PolarHBondContact SG-SD 2.96Å; C310-V400 HydrophobicContact CB-CG1 4.37Å
311S85.3Confident88Confident50 Ų5035.5 Ų35.535%0.3519%0.192SC..Hα-helixtrans-66.3-30.3-179.5-57.70000113.1S307 D308 Y309 C404S307-S311 WeakPolarHBondContact O-CB 3.22Å; S307-S311 PolarHBondContact O-N 2.69Å; S307-S311 PolarHBondContact O-OG 2.73Å; D308-S311 PolarHBondContact O-N 3.22Å; Y309-S311 VanDerWaalsContact C-N 3.26Å; Y309-S311 PolarHBondContact O-N 3.07Å; S311-C404 PolarHBondContact OG-SG 3.1Å
312G86.7Confident88.1Confident21 Ų2133.5 Ų33.522%0.21619%0.188CC..Hα-helixtrans-92.7-20.9179.900000115.3D308 Y309 C310 S314 G315 A316D308-G312 PolarHBondContact O-N 2.62Å; D308-G312 VanDerWaalsContact O-N 3.15Å; Y309-G312 PolarHBondContact O-N 3.15Å; C310-G312 VanDerWaalsContact C-N 3.29Å; C310-G312 PolarHBondContact O-N 3.26Å; G312-S314 PolarHBondContact O-N 2.85Å; G312-G315 WeakPolarHBondContact O-CA 3.42Å; G312-G315 PolarHBondContact O-N 3.43Å; G312-A316 PolarHBondContact O-N 2.9Å
313L87.9Confident88.2Confident19 Ų1929.3 Ų29.310%0.09917%0.166CC..Hα-helixtrans-57.1-49.5-167.6179.560000113.8M248 Y309 G315 A316 Q317 L352 V353M248-L313 HydrophobicContact SD-CB 4.16Å; M248-L313 HydrophobicContact SD-CD1 4.4Å; Y309-L313 HydrophobicContact CE1-CD1 4.48Å; Y309-L313 PolarHBondContact O-N 3.46Å; Y309-L313 VanDerWaalsContact O-N 3.07Å; L313-G315 VanDerWaalsContact C-N 3.25Å; L313-G315 PolarHBondContact O-N 3.28Å; L313-A316 WeakPolarHBondContact O-CB 3.45Å; L313-A316 PolarHBondContact O-N 3.06Å; L313-A316 VanDerWaalsContact O-N 3.15Å; L313-Q317 HydrophobicContact CD1-CG 4.43Å; L313-Q317 WeakPolarHBondContact O-CG 3.38Å; L313-Q317 PolarHBondContact O-N 3.22Å; L313-L352 HydrophobicContact CD1-CB 3.89Å; L313-L352 WeakPolarHBondContact CD1-O 3.5Å; L313-V353 HydrophobicContact CD2-CG2 4.42Å
314S83.1Confident87.9Confident50 Ų5030.3 Ų30.335%0.3517%0.173SC..Hα-helixtrans-63.7-33.3178.8-52.70000112.2G312 R318G312-S314 PolarHBondContact O-N 2.85Å; S314-R318 PolarHBondContact O-N 3.48Å
315G85.9Confident87.8Confident23 Ų2335.4 Ų35.424%0.23720%0.203CC..Hα-helixtrans-67.1-40.3174.300000112.4G312 L313 K319G312-G315 WeakPolarHBondContact O-CA 3.42Å; G312-G315 PolarHBondContact O-N 3.43Å; L313-G315 VanDerWaalsContact C-N 3.25Å; L313-G315 PolarHBondContact O-N 3.28Å; G315-K319 WeakPolarHBondContact O-CB 3.39Å; G315-K319 PolarHBondContact O-N 3.14Å
316A90.5Very high87.9Confident0 Ų040.1 Ų40.10%022%0.223CC..Hα-helixtrans-61.7-47.8174.700000111.9I246 M248 G312 L313 R318 K319 I320I246-A316 WeakPolarHBondContact O-CB 3.47Å; M248-A316 HydrophobicContact CG-CB 4.17Å; G312-A316 PolarHBondContact O-N 2.9Å; L313-A316 WeakPolarHBondContact O-CB 3.45Å; L313-A316 PolarHBondContact O-N 3.06Å; L313-A316 VanDerWaalsContact O-N 3.15Å; A316-R318 PolarHBondContact O-N 2.69Å; A316-K319 PolarHBondContact O-N 2.83Å; A316-I320 WeakPolarHBondContact O-CG1 3.35Å; A316-I320 PolarHBondContact O-N 2.81Å
317Q88.4Confident87.8Confident30 Ų3043.8 Ų43.814%0.1424%0.239CC..Hα-helixtrans-59.4-49.1179.7-66-178.2-45.800111.6L313 K319 I320 D321 Q349L313-Q317 HydrophobicContact CD1-CG 4.43Å; L313-Q317 WeakPolarHBondContact O-CG 3.38Å; L313-Q317 PolarHBondContact O-N 3.22Å; Q317-K319 VanDerWaalsContact C-N 3.33Å; Q317-K319 PolarHBondContact O-N 2.95Å; Q317-I320 WeakPolarHBondContact O-CB 3.4Å; Q317-I320 PolarHBondContact O-N 3.2Å; Q317-D321 PolarHBondContact O-N 3.05Å; Q317-D321 VanDerWaalsContact O-N 3.1Å; Q317-Q349 HydrophobicContact CB-CB 4.49Å; Q317-Q349 HydrophobicContact CG-CB 4.08Å; Q317-Q349 PolarHBondContact NE2-O 3.47Å
318R86.3Confident87.8Confident91 Ų9147.3 Ų47.334%0.34326%0.263SS..Hα-helixtrans-59-42.1175.6-72.7-169.9-59.3-94.2-0.7112.8S314 A316 I320 D321 E322S314-R318 PolarHBondContact O-N 3.48Å; A316-R318 PolarHBondContact O-N 2.69Å; R318-I320 VanDerWaalsContact C-N 3.33Å; R318-I320 PolarHBondContact O-N 3.02Å; R318-D321 PolarHBondContact O-N 3.25Å; R318-E322 WeakPolarHBondContact O-CB 3.42Å; R318-E322 PolarHBondContact O-N 3.17Å
319K91Very high88.1Confident40 Ų4047.7 Ų47.717%0.17427%0.269CS..Hα-helixtrans-65-36.6178.9-17657.365.9-167.30111.9V245 I246 G315 A316 Q317 E322 L323V245-K319 HydrophobicContact CB-CG 4.39Å; V245-K319 HydrophobicContact CG1-CB 3.83Å; V245-K319 HydrophobicContact CG1-CG 3.96Å; I246-K319 HydrophobicContact CD1-CG 4.4Å; I246-K319 HydrophobicContact CG1-CB 4.3Å; I246-K319 HydrophobicContact CG1-CG 3.99Å; G315-K319 WeakPolarHBondContact O-CB 3.39Å; G315-K319 PolarHBondContact O-N 3.14Å; A316-K319 PolarHBondContact O-N 2.83Å; Q317-K319 VanDerWaalsContact C-N 3.33Å; Q317-K319 PolarHBondContact O-N 2.95Å; K319-E322 IonicContact NZ-OE1 3.1Å; K319-E322 PolarHBondContact NZ-OE1 3.4Å; K319-E322 IonicContact NZ-OE2 3.97Å; K319-E322 PolarHBondContact NZ-OE2 2.75Å; K319-L323 HydrophobicContact CD-CD1 3.93Å; K319-L323 HydrophobicContact CD-CG 4.04Å; K319-L323 HydrophobicContact CG-CD1 3.97Å; K319-L323 HydrophobicContact CG-CG 4.48Å; K319-L323 WeakPolarHBondContact O-CB 3.01Å; K319-L323 VanDerWaalsContact O-CG 3.24Å; K319-L323 WeakPolarHBondContact O-CG 2.79Å; K319-L323 PolarHBondContact O-N 3.4Å
320I90.8Very high88.3Confident1 Ų147.6 Ų47.61%0.00527%0.269CS..Hα-helixtrans-62.2-49.1173.8-67.3166000110.3I246 A316 Q317 R318 L323 C324 I334 L348 Q349 L352I246-I320 HydrophobicContact CD1-CG1 4.03Å; I246-I320 HydrophobicContact CG1-CG1 3.88Å; I246-I320 HydrophobicContact CG2-CD1 4.12Å; I246-I320 HydrophobicContact CG2-CG1 4.05Å; A316-I320 WeakPolarHBondContact O-CG1 3.35Å; A316-I320 PolarHBondContact O-N 2.81Å; Q317-I320 WeakPolarHBondContact O-CB 3.4Å; Q317-I320 PolarHBondContact O-N 3.2Å; R318-I320 VanDerWaalsContact C-N 3.33Å; R318-I320 PolarHBondContact O-N 3.02Å; I320-L323 PolarHBondContact O-N 3.31Å; I320-C324 WeakPolarHBondContact O-CB 3.46Å; I320-C324 PolarHBondContact O-N 3.09Å; I320-C324 PolarHBondContact O-SG 2.85Å; I320-I334 HydrophobicContact CG2-CD1 4.34Å; I320-L348 HydrophobicContact CD1-CD2 4.04Å; I320-L348 HydrophobicContact CD1-CG 3.98Å; I320-Q349 HydrophobicContact CD1-CB 4.26Å; I320-L352 HydrophobicContact CD1-CD1 3.92Å
321D85.8Confident88.5Confident61 Ų6153.4 Ų53.433%0.32629%0.289SS..Hα-helixtrans-64.3-43.3-178.1-69.7-34000111.7Q317 R318 C324 T325 Q349Q317-D321 PolarHBondContact O-N 3.05Å; Q317-D321 VanDerWaalsContact O-N 3.1Å; R318-D321 PolarHBondContact O-N 3.25Å; D321-C324 PolarHBondContact O-N 2.85Å; D321-T325 WeakPolarHBondContact O-CB 3.27Å; D321-T325 PolarHBondContact O-N 3.47Å; D321-T325 PolarHBondContact O-OG1 2.74Å; D321-Q349 PolarHBondContact OD1-NE2 3.32Å
322E89.4Confident88.8Confident77 Ų7757.2 Ų57.236%0.3630%0.301SS..Hα-helixtrans-54.4-55.7172.7-178.1-170.2146.200111R318 K319 C324 T325 E326R318-E322 WeakPolarHBondContact O-CB 3.42Å; R318-E322 PolarHBondContact O-N 3.17Å; K319-E322 IonicContact NZ-OE1 3.1Å; K319-E322 PolarHBondContact NZ-OE1 3.4Å; K319-E322 IonicContact NZ-OE2 3.97Å; K319-E322 PolarHBondContact NZ-OE2 2.75Å; E322-C324 PolarHBondContact O-N 2.88Å; E322-T325 PolarHBondContact O-N 3.32Å; E322-T325 VanDerWaalsContact O-N 3.15Å; E322-E326 WeakPolarHBondContact O-CG 3.27Å; E322-E326 PolarHBondContact O-N 2.94Å
323L91.9Very high89.1Confident1 Ų158.2 Ų58.21%0.00531%0.305CS..Hα-helixtrans-66.4-36.4-177.1-69171.3000113.1L238 D242 I246 K319 I320 T325 K327 I330L238-L323 HydrophobicContact CD2-CD1 4.18Å; D242-L323 HydrophobicContact CB-CD1 3.95Å; I246-L323 HydrophobicContact CD1-CD1 3.8Å; K319-L323 HydrophobicContact CD-CD1 3.93Å; K319-L323 HydrophobicContact CD-CG 4.04Å; K319-L323 HydrophobicContact CG-CD1 3.97Å; K319-L323 HydrophobicContact CG-CG 4.48Å; K319-L323 WeakPolarHBondContact O-CB 3.01Å; K319-L323 VanDerWaalsContact O-CG 3.24Å; K319-L323 WeakPolarHBondContact O-CG 2.79Å; K319-L323 PolarHBondContact O-N 3.4Å; I320-L323 PolarHBondContact O-N 3.31Å; L323-T325 PolarHBondContact O-N 3.37Å; L323-K327 PolarHBondContact O-N 3.22Å; L323-I330 HydrophobicContact CB-CD1 4.42Å; L323-I330 HydrophobicContact CB-CG2 4.15Å; L323-I330 HydrophobicContact CD2-CD1 4.08Å
324C88.3Confident89.3Confident21 Ų2157.4 Ų57.414%0.14230%0.301CS..Hα-helixtrans-69.1-25176.5-72.70000113I320 D321 E322 R331I320-C324 WeakPolarHBondContact O-CB 3.46Å; I320-C324 PolarHBondContact O-N 3.09Å; I320-C324 PolarHBondContact O-SG 2.85Å; D321-C324 PolarHBondContact O-N 2.85Å; E322-C324 PolarHBondContact O-N 2.88Å; C324-R331 HydrophobicContact CB-CB 4.35Å; C324-R331 HydrophobicContact CB-CG 4.26Å
325T86.6Confident89.6Confident116 Ų11658.5 Ų58.571%0.71230%0.303SS*.Hα-helixtrans-82.4-44.2176.6-58.20000110.9D321 E322 L323D321-T325 WeakPolarHBondContact O-CB 3.27Å; D321-T325 PolarHBondContact O-N 3.47Å; D321-T325 PolarHBondContact O-OG1 2.74Å; E322-T325 PolarHBondContact O-N 3.32Å; E322-T325 VanDerWaalsContact O-N 3.15Å; L323-T325 PolarHBondContact O-N 3.37Å
326E88.6Confident89.9Confident126 Ų12660.2 Ų60.259%0.58931%0.314SS*.Hα-helixtrans-77-37.8-176.8-69.1-176.7172.800113.9E322E322-E326 WeakPolarHBondContact O-CG 3.27Å; E322-E326 PolarHBondContact O-N 2.94Å
327K89.5Confident90Very high78 Ų7860.6 Ų60.634%0.33932%0.317SS..  trans-129102.2-166.6-67.2175.3-176.8170.80111.6L323 T329 I330 R331L323-K327 PolarHBondContact O-N 3.22Å; K327-T329 PolarHBondContact O-N 3.21Å; K327-I330 HydrophobicContact CB-CB 4.15Å; K327-I330 HydrophobicContact CB-CD1 3.91Å; K327-I330 HydrophobicContact CB-CG1 3.99Å; K327-I330 HydrophobicContact CD-CD1 3.48Å; K327-I330 VanDerWaalsContact CD-CD1 3.48Å; K327-I330 HydrophobicContact CD-CG1 4.31Å; K327-I330 HydrophobicContact CG-CD1 4.33Å; K327-I330 PolarHBondContact O-N 2.92Å; K327-I330 VanDerWaalsContact O-N 3.15Å; K327-R331 PolarHBondContact O-N 3.1Å
328S87.4Confident90.2Very high82 Ų8259.7 Ų59.757%0.57331%0.313SS*.Hα-helixtrans-58.2-32.8178.862.40000113.7R331 Q332S328-R331 WeakPolarHBondContact O-CB 3.44Å; S328-R331 PolarHBondContact O-N 2.95Å; S328-Q332 VanDerWaalsContact O-CG 3.3Å; S328-Q332 WeakPolarHBondContact O-CG 3.14Å; S328-Q332 PolarHBondContact O-N 3.37Å
329T92.4Very high90.3Very high91 Ų9160.6 Ų60.656%0.55832%0.324SS*.Hα-helixtrans-64.2-46.4176.250.20000111.9K327 R331 Q332 S333K327-T329 PolarHBondContact O-N 3.21Å; T329-R331 VanDerWaalsContact C-N 3.35Å; T329-Q332 PolarHBondContact O-N 3.47Å; T329-S333 PolarHBondContact O-N 2.84Å; T329-S333 PolarHBondContact O-OG 3.4Å
330I91.8Very high90.2Very high11 Ų1164.2 Ų64.26%0.05634%0.341CS..Hα-helixtrans-64.3-43.2176.7-63.4179.6000110.2L238 L323 K327 Q332 S333 I334L238-I330 HydrophobicContact CD2-CD1 3.87Å; L238-I330 HydrophobicContact CD2-CG1 4.19Å; L238-I330 HydrophobicContact CD2-CG2 3.6Å; L323-I330 HydrophobicContact CB-CD1 4.42Å; L323-I330 HydrophobicContact CB-CG2 4.15Å; L323-I330 HydrophobicContact CD2-CD1 4.08Å; K327-I330 HydrophobicContact CB-CB 4.15Å; K327-I330 HydrophobicContact CB-CD1 3.91Å; K327-I330 HydrophobicContact CB-CG1 3.99Å; K327-I330 HydrophobicContact CD-CD1 3.48Å; K327-I330 VanDerWaalsContact CD-CD1 3.48Å; K327-I330 HydrophobicContact CD-CG1 4.31Å; K327-I330 HydrophobicContact CG-CD1 4.33Å; K327-I330 PolarHBondContact O-N 2.92Å; K327-I330 VanDerWaalsContact O-N 3.15Å; I330-Q332 VanDerWaalsContact C-N 3.28Å; I330-Q332 PolarHBondContact O-N 3.03Å; I330-S333 PolarHBondContact O-N 3.15Å; I330-S333 VanDerWaalsContact O-N 3.17Å; I330-I334 HydrophobicContact CG2-CD1 3.81Å; I330-I334 HydrophobicContact CG2-CG1 4.34Å; I330-I334 WeakPolarHBondContact O-CG1 3.27Å; I330-I334 PolarHBondContact O-N 3.25Å
331R91.1Very high90Very high133 Ų13365.1 Ų65.150%0.50235%0.349SS..Hα-helixtrans-54.9-45.2174.4-172.9-173178.5112.70.6111.5C324 K327 S328 T329 I334 L335C324-R331 HydrophobicContact CB-CB 4.35Å; C324-R331 HydrophobicContact CB-CG 4.26Å; K327-R331 PolarHBondContact O-N 3.1Å; S328-R331 WeakPolarHBondContact O-CB 3.44Å; S328-R331 PolarHBondContact O-N 2.95Å; T329-R331 VanDerWaalsContact C-N 3.35Å; R331-I334 PolarHBondContact O-N 3.46Å; R331-L335 HydrophobicContact CG-CD1 4.12Å; R331-L335 WeakPolarHBondContact O-CB 3.5Å; R331-L335 VanDerWaalsContact O-CG 3.27Å; R331-L335 WeakPolarHBondContact O-CG 3.33Å; R331-L335 PolarHBondContact O-N 3.44Å
332Q91.7Very high90Very high129 Ų12963.4 Ų63.460%0.60334%0.34SS*.Hα-helixtrans-65.3-42.2177.2-73.2171.211.300112.2S328 T329 I330 I334 L335 A336S328-Q332 VanDerWaalsContact O-CG 3.3Å; S328-Q332 WeakPolarHBondContact O-CG 3.14Å; S328-Q332 PolarHBondContact O-N 3.37Å; T329-Q332 PolarHBondContact O-N 3.47Å; I330-Q332 VanDerWaalsContact C-N 3.28Å; I330-Q332 PolarHBondContact O-N 3.03Å; Q332-I334 PolarHBondContact O-N 3.08Å; Q332-L335 PolarHBondContact O-N 3.07Å; Q332-A336 WeakPolarHBondContact O-CB 3.33Å; Q332-A336 PolarHBondContact O-N 2.84Å
333S93.4Very high89.7Confident42 Ų4263.1 Ų63.129%0.29435%0.35SS..Hα-helixtrans-60.4-43.9175.1-62.40000112.1T329 I330 A336 C337T329-S333 PolarHBondContact O-N 2.84Å; T329-S333 PolarHBondContact O-OG 3.4Å; I330-S333 PolarHBondContact O-N 3.15Å; I330-S333 VanDerWaalsContact O-N 3.17Å; S333-A336 PolarHBondContact O-N 3.35Å; S333-C337 PolarHBondContact O-N 3.45Å; S333-C337 PolarHBondContact O-SG 2.82Å
334I91.1Very high89Confident3 Ų367.3 Ų67.32%0.01537%0.373CS..Hα-helixtrans-64.8-44.9176.9-69.6172000110.7L234 I320 I330 R331 Q332 A336 C337 Q338 L348L234-I334 HydrophobicContact CD1-CG1 4.18Å; L234-I334 HydrophobicContact CD2-CG1 3.89Å; I320-I334 HydrophobicContact CG2-CD1 4.34Å; I330-I334 HydrophobicContact CG2-CD1 3.81Å; I330-I334 HydrophobicContact CG2-CG1 4.34Å; I330-I334 WeakPolarHBondContact O-CG1 3.27Å; I330-I334 PolarHBondContact O-N 3.25Å; R331-I334 PolarHBondContact O-N 3.46Å; Q332-I334 PolarHBondContact O-N 3.08Å; I334-A336 VanDerWaalsContact C-N 3.32Å; I334-A336 PolarHBondContact O-N 2.8Å; I334-C337 WeakPolarHBondContact O-CB 3.46Å; I334-C337 PolarHBondContact O-N 2.68Å; I334-Q338 HydrophobicContact CG2-CG 4.32Å; I334-Q338 VanDerWaalsContact O-CG 3.26Å; I334-Q338 WeakPolarHBondContact O-CG 3.48Å; I334-Q338 PolarHBondContact O-N 3.43Å; I334-L348 HydrophobicContact CG2-CB 4.45Å
335L90Very high88.7Confident73 Ų7372.3 Ų72.338%0.38239%0.392SS..Hα-helixtrans-61.5-38.9176.6-74.7167.5000112.3R331 Q332 Q338 L339R331-L335 HydrophobicContact CG-CD1 4.12Å; R331-L335 WeakPolarHBondContact O-CB 3.5Å; R331-L335 VanDerWaalsContact O-CG 3.27Å; R331-L335 WeakPolarHBondContact O-CG 3.33Å; R331-L335 PolarHBondContact O-N 3.44Å; Q332-L335 PolarHBondContact O-N 3.07Å; L335-Q338 PolarHBondContact O-N 3.23Å; L335-L339 WeakPolarHBondContact O-CB 3.32Å; L335-L339 PolarHBondContact O-N 3.44Å
336A92.2Very high88.6Confident58 Ų5868.4 Ų68.448%0.47937%0.365SS..Hα-helixtrans-62.5-45.517500000111.4Q332 S333 I334 Q338 L339 E340Q332-A336 WeakPolarHBondContact O-CB 3.33Å; Q332-A336 PolarHBondContact O-N 2.84Å; S333-A336 PolarHBondContact O-N 3.35Å; I334-A336 VanDerWaalsContact C-N 3.32Å; I334-A336 PolarHBondContact O-N 2.8Å; A336-Q338 VanDerWaalsContact C-N 3.35Å; A336-Q338 PolarHBondContact O-N 2.97Å; A336-L339 PolarHBondContact O-N 3.31Å; A336-E340 PolarHBondContact O-N 3.16Å
337C92.7Very high88.5Confident8 Ų867 Ų675%0.05436%0.355CS..Hα-helixtrans-61.3-41.9174.6-62.70000111.7R229 F230 S333 I334 L339 E340 A341R229-C337 WeakPolarHBondContact O-CB 3.2Å; F230-C337 HydrophobicContact CD1-CB 3.57Å; F230-C337 HydrophobicContact CE1-CB 3.8Å; F230-C337 HydrophobicContact CG-CB 4.46Å; S333-C337 PolarHBondContact O-N 3.45Å; S333-C337 PolarHBondContact O-SG 2.82Å; I334-C337 WeakPolarHBondContact O-CB 3.46Å; I334-C337 PolarHBondContact O-N 2.68Å; C337-L339 PolarHBondContact O-N 3.01Å; C337-E340 PolarHBondContact O-N 3.41Å; C337-A341 WeakPolarHBondContact O-CB 3.46Å; C337-A341 PolarHBondContact O-N 3.46Å
338Q91.4Very high88.5Confident11 Ų1163.3 Ų63.35%0.05134%0.339CS..Hα-helixtrans-62.3-42177.7-72.6171.8-8.700112.3F230 I334 L335 A336 N342 N344F230-Q338 HydrophobicContact CE1-CB 4.38Å; F230-Q338 HydrophobicContact CE1-CG 3.73Å; F230-Q338 HydrophobicContact CZ-CG 4.14Å; I334-Q338 HydrophobicContact CG2-CG 4.32Å; I334-Q338 VanDerWaalsContact O-CG 3.26Å; I334-Q338 WeakPolarHBondContact O-CG 3.48Å; I334-Q338 PolarHBondContact O-N 3.43Å; L335-Q338 PolarHBondContact O-N 3.23Å; A336-Q338 VanDerWaalsContact C-N 3.35Å; A336-Q338 PolarHBondContact O-N 2.97Å; Q338-N342 PolarHBondContact O-N 3.34Å; Q338-N342 VanDerWaalsContact O-N 3.14Å; Q338-N342 PolarHBondContact O-OD1 2.98Å; Q338-N344 PolarHBondContact O-N 3.46Å
339L89.2Confident88.6Confident111 Ų11160.3 Ų60.358%0.58132%0.316SS*.Hα-helixtrans-62.8-46.8176.4-17567.2000111.3L335 A336 C337 A343 N344L335-L339 WeakPolarHBondContact O-CB 3.32Å; L335-L339 PolarHBondContact O-N 3.44Å; A336-L339 PolarHBondContact O-N 3.31Å; C337-L339 PolarHBondContact O-N 3.01Å; L339-A343 VanDerWaalsContact O-CA 3.26Å; L339-A343 WeakPolarHBondContact O-CA 3.42Å; L339-A343 PolarHBondContact O-N 3.44Å; L339-N344 HydrophobicContact CD1-CB 4.17Å
340E89.6Confident88.2Confident115 Ų11557.4 Ų57.454%0.53730%0.297SS..Hα-helixtrans-67.3-40.3-179.7-168.5-176.4160.600112.6R229 A336 C337R229-E340 WeakPolarHBondContact CD-OE1 3.35Å; R229-E340 IonicContact CZ-OE1 3.7Å; R229-E340 IonicContact NE-OE1 3.31Å; R229-E340 IonicContact NH1-OE1 2.66Å; R229-E340 PolarHBondContact NH1-OE1 3.5Å; A336-E340 PolarHBondContact O-N 3.16Å; C337-E340 PolarHBondContact O-N 3.41Å
341A86.9Confident88.1Confident20 Ų2056.9 Ų56.917%0.16529%0.294CS..Hα-helixtrans-75.5-41.5-174.400000113.6M225 R229 F230 C337M225-A341 HydrophobicContact CG-CB 4.13Å; M225-A341 HydrophobicContact SD-CB 3.97Å; R229-A341 HydrophobicContact CB-CB 3.67Å; R229-A341 HydrophobicContact CG-CB 4.29Å; F230-A341 HydrophobicContact CD2-CB 4.02Å; F230-A341 HydrophobicContact CE1-CB 4.46Å; F230-A341 HydrophobicContact CE2-CB 3.22Å; F230-A341 HydrophobicContact CZ-CB 3.5Å; C337-A341 WeakPolarHBondContact O-CB 3.46Å; C337-A341 PolarHBondContact O-N 3.46Å
342N83.8Confident88.1Confident26 Ų2650.7 Ų50.714%0.13927%0.271CS..Hα-helixtrans-145.519.7-169.868.152000114.8Q338 N344 K345 F346Q338-N342 PolarHBondContact O-N 3.34Å; Q338-N342 VanDerWaalsContact O-N 3.14Å; Q338-N342 PolarHBondContact O-OD1 2.98Å; N342-N344 PolarHBondContact O-N 2.88Å; N342-N344 WeakPolarHBondContact OD1-CA 3.28Å; N342-N344 PolarHBondContact OD1-N 3Å; N342-K345 WeakPolarHBondContact O-CB 3.31Å; N342-K345 WeakPolarHBondContact O-CG 3.38Å; N342-K345 PolarHBondContact O-N 3.5Å; N342-K345 PolarHBondContact OD1-N 3.5Å; N342-F346 PolarHBondContact ND2-O 3.3Å; N342-F346 PolarHBondContact OD1-N 2.89Å; N342-F346 PolarHBondContact OD1-O 3.05Å
343A84.6Confident87.9Confident70 Ų7045.5 Ų45.558%0.57925%0.248SC*.THydrogen-bonded Turntrans56.635.1-176.300000113.2L339 K345L339-A343 VanDerWaalsContact O-CA 3.26Å; L339-A343 WeakPolarHBondContact O-CA 3.42Å; L339-A343 PolarHBondContact O-N 3.44Å; A343-K345 PolarHBondContact O-N 3.16Å
344N77.2Confident87.8Confident90 Ų9043.5 Ų43.548%0.48123%0.234SC..THydrogen-bonded Turntrans59.726.8178.5-160.740.2000114.2Q338 L339 N342Q338-N344 PolarHBondContact O-N 3.46Å; L339-N344 HydrophobicContact CD1-CB 4.17Å; N342-N344 PolarHBondContact O-N 2.88Å; N342-N344 WeakPolarHBondContact OD1-CA 3.28Å; N342-N344 PolarHBondContact OD1-N 3Å
345K81.7Confident87.8Confident125 Ų12543.4 Ų43.454%0.54323%0.233SC..SBendtrans-73.9-36.9176-73.2176.7176.4173.20112.2H185 N342 A343H185-K345 PolarHBondContact CE1-NZ 3.11Å; H185-K345 PolarHBondContact NE2-NZ 3.44Å; N342-K345 WeakPolarHBondContact O-CB 3.31Å; N342-K345 WeakPolarHBondContact O-CG 3.38Å; N342-K345 PolarHBondContact O-N 3.5Å; N342-K345 PolarHBondContact OD1-N 3.5Å; A343-K345 PolarHBondContact O-N 3.16Å
346F83.4Confident87.8Confident34 Ų3441 Ų4115%0.14922%0.22CC..SBendtrans-135140.8-176-53.3-59.8000110.8I182 H185 I186 N342 D350 V351I182-F346 HydrophobicContact CB-CD1 4.42Å; I182-F346 HydrophobicContact CB-CE1 4.3Å; I182-F346 HydrophobicContact CG1-CD1 3.72Å; I182-F346 HydrophobicContact CG1-CE1 3.74Å; I182-F346 HydrophobicContact CG2-CD1 4.19Å; I182-F346 HydrophobicContact CG2-CD2 4.41Å; I182-F346 HydrophobicContact CG2-CE1 4.39Å; I182-F346 HydrophobicContact CG2-CG 4.2Å; H185-F346 HydrophobicContact CB-CE2 3.78Å; H185-F346 HydrophobicContact CB-CZ 3.53Å; H185-F346 AromaticContact CD2-CE2 3.45Å; H185-F346 VanDerWaalsContact CD2-CE2 3.45Å; H185-F346 WeakPolarHBondContact CD2-CE2 3.33Å; H185-F346 AromaticContact CD2-CZ 3.84Å; H185-F346 AromaticContact CG-CE2 3.7Å; H185-F346 AromaticContact CG-CZ 3.62Å; I186-F346 HydrophobicContact CD1-CD2 3.94Å; I186-F346 HydrophobicContact CD1-CE2 4.19Å; I186-F346 HydrophobicContact CG1-CD2 4.21Å; I186-F346 HydrophobicContact CG1-CE2 4.02Å; N342-F346 PolarHBondContact ND2-O 3.3Å; N342-F346 PolarHBondContact OD1-N 2.89Å; N342-F346 PolarHBondContact OD1-O 3.05Å; F346-D350 HydrophobicContact CB-CB 4.47Å; F346-V351 HydrophobicContact CB-CG2 3.89Å
347R88.5Confident87.7Confident98 Ų9839.2 Ų39.237%0.3720%0.202SC..  trans-72.9157175.3-54.2172.9-65.2178.94.1109.6Q349 D350 V351R347-Q349 VanDerWaalsContact C-N 3.26Å; R347-Q349 HydrophobicContact CB-CG 4.06Å; R347-Q349 PolarHBondContact O-N 3.25Å; R347-D350 VanDerWaalsContact CB-OD2 3.23Å; R347-D350 WeakPolarHBondContact CB-OD2 3.28Å; R347-D350 WeakPolarHBondContact CG-OD2 3.36Å; R347-D350 IonicContact CZ-OD1 2.89Å; R347-D350 IonicContact CZ-OD2 3.86Å; R347-D350 PolarHBondContact N-OD2 3.32Å; R347-D350 IonicContact NE-OD1 3.84Å; R347-D350 IonicContact NE-OD2 2.6Å; R347-D350 PolarHBondContact NE-OD2 3.06Å; R347-D350 IonicContact NH2-OD1 3.62Å; R347-D350 PolarHBondContact NH2-OD1 3.4Å; R347-D350 IonicContact NH2-OD2 2.67Å; R347-D350 WeakPolarHBondContact O-CB 3.4Å; R347-D350 PolarHBondContact O-N 3.47Å; R347-V351 WeakPolarHBondContact O-CG2 3.29Å; R347-V351 PolarHBondContact O-N 2.75Å; R347-V351 VanDerWaalsContact O-N 3.08Å
348L89Confident87.8Confident0 Ų038.9 Ų38.90%020%0.2CC..Hα-helixtrans-53.6-45.2175.5174.256.2000111.3F230 L234 I246 I320 I334 D350 V351 L352F230-L348 HydrophobicContact CB-CD1 4.02Å; F230-L348 HydrophobicContact CD1-CB 4.27Å; F230-L348 HydrophobicContact CD1-CD1 3.65Å; F230-L348 HydrophobicContact CD1-CD2 4.13Å; F230-L348 HydrophobicContact CD1-CG 4.23Å; F230-L348 HydrophobicContact CD2-CD1 4.18Å; F230-L348 HydrophobicContact CE1-CB 4.04Å; F230-L348 HydrophobicContact CE1-CD1 4.05Å; F230-L348 HydrophobicContact CE1-CG 4.47Å; F230-L348 HydrophobicContact CG-CD1 3.7Å; F230-L348 HydrophobicContact CZ-CD1 4.45Å; L234-L348 HydrophobicContact CD1-CD2 3.89Å; I246-L348 HydrophobicContact CG2-CD2 4.43Å; I320-L348 HydrophobicContact CD1-CD2 4.04Å; I320-L348 HydrophobicContact CD1-CG 3.98Å; I334-L348 HydrophobicContact CG2-CB 4.45Å; L348-D350 PolarHBondContact O-N 2.93Å; L348-V351 PolarHBondContact O-N 3.17Å; L348-L352 HydrophobicContact CD1-CD1 4.13Å; L348-L352 HydrophobicContact CD1-CD2 4.29Å; L348-L352 HydrophobicContact CD1-CG 3.97Å; L348-L352 HydrophobicContact CG-CD1 4.13Å; L348-L352 HydrophobicContact CG-CG 4.42Å; L348-L352 WeakPolarHBondContact O-CG 3.21Å; L348-L352 PolarHBondContact O-N 3.45Å
349Q88.4Confident87.9Confident19 Ų1938.3 Ų38.39%0.08920%0.197CC..Hα-helixtrans-60.6-28178.572.2-145.467.400113.8Q317 I320 D321 R347 V353Q317-Q349 HydrophobicContact CB-CB 4.49Å; Q317-Q349 HydrophobicContact CG-CB 4.08Å; Q317-Q349 PolarHBondContact NE2-O 3.47Å; I320-Q349 HydrophobicContact CD1-CB 4.26Å; D321-Q349 PolarHBondContact OD1-NE2 3.32Å; R347-Q349 VanDerWaalsContact C-N 3.26Å; R347-Q349 HydrophobicContact CB-CG 4.06Å; R347-Q349 PolarHBondContact O-N 3.25Å; Q349-V353 WeakPolarHBondContact O-CG2 3.35Å
350D85.6Confident88Confident30 Ų3035 Ų3516%0.1618%0.18CC..Hα-helixtrans-80.7-39.1179.2-56.7-37.1000110.3I182 F346 R347 L348 V353I182-D350 HydrophobicContact CD1-CB 3.78Å; F346-D350 HydrophobicContact CB-CB 4.47Å; R347-D350 VanDerWaalsContact CB-OD2 3.23Å; R347-D350 WeakPolarHBondContact CB-OD2 3.28Å; R347-D350 WeakPolarHBondContact CG-OD2 3.36Å; R347-D350 IonicContact CZ-OD1 2.89Å; R347-D350 IonicContact CZ-OD2 3.86Å; R347-D350 PolarHBondContact N-OD2 3.32Å; R347-D350 IonicContact NE-OD1 3.84Å; R347-D350 IonicContact NE-OD2 2.6Å; R347-D350 PolarHBondContact NE-OD2 3.06Å; R347-D350 IonicContact NH2-OD1 3.62Å; R347-D350 PolarHBondContact NH2-OD1 3.4Å; R347-D350 IonicContact NH2-OD2 2.67Å; R347-D350 WeakPolarHBondContact O-CB 3.4Å; R347-D350 PolarHBondContact O-N 3.47Å; L348-D350 PolarHBondContact O-N 2.93Å; D350-V353 WeakPolarHBondContact O-CB 3.4Å; D350-V353 PolarHBondContact O-N 3.43Å
351V88.9Confident88.2Confident0 Ų031.8 Ų31.80%016%0.164CC..Hα-helixtrans-66.9-36.1176.8175.80000111.8I186 M225 I226 F346 R347 L348 V353 V354I186-V351 HydrophobicContact CD1-CG2 4.3Å; M225-V351 HydrophobicContact CE-CG1 3.75Å; I226-V351 HydrophobicContact CD1-CG1 3.75Å; I226-V351 HydrophobicContact CG1-CG1 3.64Å; F346-V351 HydrophobicContact CB-CG2 3.89Å; R347-V351 WeakPolarHBondContact O-CG2 3.29Å; R347-V351 PolarHBondContact O-N 2.75Å; R347-V351 VanDerWaalsContact O-N 3.08Å; L348-V351 PolarHBondContact O-N 3.17Å; V351-V353 PolarHBondContact O-N 3.14Å; V351-V353 VanDerWaalsContact O-N 3.15Å; V351-V354 WeakPolarHBondContact O-CB 3.45Å; V351-V354 WeakPolarHBondContact O-CG2 3.25Å; V351-V354 PolarHBondContact O-N 3.22Å; V351-V354 VanDerWaalsContact O-N 3.11Å
352L90.8Very high88.7Confident2 Ų230.8 Ų30.81%0.0116%0.156CC..THydrogen-bonded Turntrans-66-10.9176.9-67.9174.5000113.4I226 F247 M248 Y309 L313 I320 L348I226-L352 HydrophobicContact CG2-CD2 4.29Å; F247-L352 HydrophobicContact CD1-CD2 4.47Å; F247-L352 HydrophobicContact CE1-CD2 4.48Å; M248-L352 HydrophobicContact CE-CD2 4.33Å; Y309-L352 WeakPolarHBondContact CE1-O 3.27Å; Y309-L352 PolarHBondContact OH-O 3.4Å; L313-L352 HydrophobicContact CD1-CB 3.89Å; L313-L352 WeakPolarHBondContact CD1-O 3.5Å; I320-L352 HydrophobicContact CD1-CD1 3.92Å; L348-L352 HydrophobicContact CD1-CD1 4.13Å; L348-L352 HydrophobicContact CD1-CD2 4.29Å; L348-L352 HydrophobicContact CD1-CG 3.97Å; L348-L352 HydrophobicContact CG-CD1 4.13Å; L348-L352 HydrophobicContact CG-CG 4.42Å; L348-L352 WeakPolarHBondContact O-CG 3.21Å; L348-L352 PolarHBondContact O-N 3.45Å
353V88.3Confident89.3Confident21 Ų2131.7 Ų31.713%0.12716%0.159CC..THydrogen-bonded Turntrans-81.7-24.7174.4-176.90000111.8L313 Q349 D350 V351 M356 Q357L313-V353 HydrophobicContact CD2-CG2 4.42Å; Q349-V353 WeakPolarHBondContact O-CG2 3.35Å; D350-V353 WeakPolarHBondContact O-CB 3.4Å; D350-V353 PolarHBondContact O-N 3.43Å; V351-V353 PolarHBondContact O-N 3.14Å; V351-V353 VanDerWaalsContact O-N 3.15Å; V353-M356 PolarHBondContact O-N 3.17Å; V353-M356 VanDerWaalsContact O-N 3.12Å; V353-Q357 HydrophobicContact CG1-CG 4.15Å; V353-Q357 PolarHBondContact O-N 3.19Å
354V90.5Very high89.8Confident0 Ų032.4 Ų32.40%015%0.153CC..Hα-helixtrans-55.5-42.5-173.1176.60000113.1I182 Y183 I186 V187 Y219 V351 M356 Q357 R358I182-V354 HydrophobicContact CG2-CG2 4.15Å; Y183-V354 HydrophobicContact CD2-CG1 4.17Å; I186-V354 HydrophobicContact CD1-CG2 3.78Å; I186-V354 HydrophobicContact CG2-CG1 4.34Å; V187-V354 HydrophobicContact CG2-CG1 3.7Å; Y219-V354 HydrophobicContact CD2-CG1 4.28Å; Y219-V354 HydrophobicContact CE2-CG1 4.24Å; V351-V354 WeakPolarHBondContact O-CB 3.45Å; V351-V354 WeakPolarHBondContact O-CG2 3.25Å; V351-V354 PolarHBondContact O-N 3.22Å; V351-V354 VanDerWaalsContact O-N 3.11Å; V354-M356 PolarHBondContact O-N 3.42Å; V354-Q357 PolarHBondContact O-N 3.46Å; V354-Q357 VanDerWaalsContact O-N 3.16Å; V354-R358 PolarHBondContact O-N 2.99Å
355P91.7Very high90.8Very high0 Ų029.6 Ų29.60%014%0.138CC..Hα-helixtrans-57.7-44.5177.3-30.741.2000114.2Y219 L223 L256 Y306 Y309 Q357 R358 V359Y219-P355 HydrophobicContact CE2-CB 4.44Å; Y219-P355 HydrophobicContact CE2-CG 4.39Å; Y219-P355 WeakPolarHBondContact OH-CA 3.49Å; Y219-P355 WeakPolarHBondContact OH-CB 3.33Å; L223-P355 HydrophobicContact CD2-CG 3.96Å; L256-P355 HydrophobicContact CD1-CB 4.17Å; Y306-P355 HydrophobicContact CE1-CB 3.79Å; Y306-P355 WeakPolarHBondContact CE1-O 3.46Å; Y309-P355 HydrophobicContact CD1-CB 4.43Å; Y309-P355 HydrophobicContact CE1-CB 3.82Å; Y309-P355 HydrophobicContact CE1-CG 4.18Å; Y309-P355 HydrophobicContact CE2-CB 4.5Å; Y309-P355 HydrophobicContact CE2-CG 4.48Å; Y309-P355 WeakPolarHBondContact OH-CG 3.28Å; P355-Q357 VanDerWaalsContact C-N 3.31Å; P355-Q357 PolarHBondContact O-N 3.33Å; P355-R358 PolarHBondContact O-N 2.83Å; P355-V359 PolarHBondContact O-N 3.02Å
356M89.2Confident91.5Very high22 Ų2223.7 Ų23.711%0.10811%0.112CC..Hα-helixtrans-65-37.3177.3176.848.7167.800111.2C310 V353 V354 V359 L360 L397C310-M356 PolarHBondContact SG-SD 2.96Å; V353-M356 PolarHBondContact O-N 3.17Å; V353-M356 VanDerWaalsContact O-N 3.12Å; V354-M356 PolarHBondContact O-N 3.42Å; M356-V359 VanDerWaalsContact O-CG1 3.31Å; M356-V359 WeakPolarHBondContact O-CG1 3.26Å; M356-V359 HydrophobicContact SD-CG1 4.07Å; M356-L360 HydrophobicContact CE-CD1 3.8Å; M356-L360 HydrophobicContact CE-CD2 4.46Å; M356-L360 HydrophobicContact CE-CG 4.32Å; M356-L360 HydrophobicContact CG-CD1 4.49Å; M356-L360 VanDerWaalsContact O-CG 3.3Å; M356-L360 WeakPolarHBondContact O-CG 3.45Å; M356-L360 HydrophobicContact SD-CD1 4.07Å; M356-L360 HydrophobicContact SD-CG 4.19Å; M356-L397 HydrophobicContact CE-CB 4.26Å
357Q90.2Very high92.1Very high21 Ų2128.1 Ų28.110%0.09813%0.131CC..Hα-helixtrans-65.1-41.6174.7-69.5175.5-70.900112R179 Y183 V353 V354 P355 L360 K361R179-Q357 PolarHBondContact O-NE2 3.39Å; Y183-Q357 HydrophobicContact CD2-CB 3.51Å; Y183-Q357 HydrophobicContact CE2-CB 4.1Å; Y183-Q357 HydrophobicContact CG-CB 4.11Å; V353-Q357 HydrophobicContact CG1-CG 4.15Å; V353-Q357 PolarHBondContact O-N 3.19Å; V354-Q357 PolarHBondContact O-N 3.46Å; V354-Q357 VanDerWaalsContact O-N 3.16Å; P355-Q357 VanDerWaalsContact C-N 3.31Å; P355-Q357 PolarHBondContact O-N 3.33Å; Q357-L360 PolarHBondContact O-N 3.29Å; Q357-K361 WeakPolarHBondContact O-CG 3.19Å; Q357-K361 PolarHBondContact O-N 3.34Å
358R94.5Very high92.4Very high1 Ų127 Ų270%0.00413%0.13CC..Hα-helixtrans-59.5-50.7-178.2179.561.4177173.91.8112.4Y183 T215 E216 Y219 V354 P355 L360 K361 Y362Y183-R358 HydrophobicContact CE2-CB 3.99Å; Y183-R358 VanDerWaalsContact OH-CD 3.27Å; Y183-R358 WeakPolarHBondContact OH-CD 3.33Å; Y183-R358 PolarHBondContact OH-NH1 2.78Å; T215-R358 VanDerWaalsContact CB-NH1 3.3Å; T215-R358 PolarHBondContact OG1-NH1 3.38Å; T215-R358 PolarHBondContact OG1-NH2 3.04Å; E216-R358 VanDerWaalsContact CA-NH2 3.31Å; E216-R358 VanDerWaalsContact N-NH2 3.15Å; E216-R358 IonicContact OE2-CZ 2.89Å; E216-R358 IonicContact OE2-NE 3.34Å; E216-R358 PolarHBondContact OE2-NE 3.08Å; E216-R358 VanDerWaalsContact OE2-NE 3.1Å; E216-R358 IonicContact OE2-NH2 3.77Å; E216-R358 PolarHBondContact OE2-NH2 3.19Å; Y219-R358 HydrophobicContact CD1-CB 4.36Å; Y219-R358 HydrophobicContact CD1-CG 3.62Å; Y219-R358 HydrophobicContact CD2-CB 3.86Å; Y219-R358 HydrophobicContact CD2-CG 3.87Å; Y219-R358 HydrophobicContact CE1-CB 4.17Å; Y219-R358 HydrophobicContact CE1-CG 3.74Å; Y219-R358 HydrophobicContact CE2-CB 3.69Å; Y219-R358 HydrophobicContact CE2-CG 4.04Å; Y219-R358 HydrophobicContact CG-CB 4.2Å; Y219-R358 HydrophobicContact CG-CG 3.67Å; V354-R358 PolarHBondContact O-N 2.99Å; P355-R358 PolarHBondContact O-N 2.83Å; R358-L360 PolarHBondContact O-N 2.98Å; R358-L360 VanDerWaalsContact O-N 3.17Å; R358-K361 PolarHBondContact O-N 3.38Å; R358-Y362 HydrophobicContact CG-CE2 4.29Å; R358-Y362 PolarHBondContact NE-OH 2.97Å
359V93.6Very high92.7Very high0 Ų027.2 Ų27.20%013%0.131CC..Hα-helixtrans-61.8-26.7-17867.20000112.1Y306 P355 M356 Y362 L393 L397Y306-V359 HydrophobicContact CD1-CB 4.28Å; Y306-V359 HydrophobicContact CD1-CG1 3.86Å; Y306-V359 HydrophobicContact CD2-CB 4.1Å; Y306-V359 HydrophobicContact CD2-CG1 4.38Å; Y306-V359 HydrophobicContact CD2-CG2 3.91Å; Y306-V359 HydrophobicContact CE1-CB 4.14Å; Y306-V359 HydrophobicContact CE1-CG1 4.05Å; Y306-V359 HydrophobicContact CE2-CB 3.93Å; Y306-V359 HydrophobicContact CE2-CG2 4.02Å; Y306-V359 HydrophobicContact CG-CB 4.25Å; Y306-V359 HydrophobicContact CG-CG1 4.02Å; Y306-V359 HydrophobicContact CG-CG2 4.31Å; P355-V359 PolarHBondContact O-N 3.02Å; M356-V359 VanDerWaalsContact O-CG1 3.31Å; M356-V359 WeakPolarHBondContact O-CG1 3.26Å; M356-V359 HydrophobicContact SD-CG1 4.07Å; V359-Y362 HydrophobicContact CG2-CD2 4.42Å; V359-L393 HydrophobicContact CG2-CD2 3.64Å; V359-L393 HydrophobicContact CG2-CG 4.29Å; V359-L397 HydrophobicContact CB-CD1 4.28Å; V359-L397 HydrophobicContact CG1-CD1 3.53Å; V359-L397 HydrophobicContact CG2-CD1 3.71Å
360L91.7Very high93Very high40 Ų4027.3 Ų27.321%0.20913%0.132CC..Hα-helixtrans-82.8-10174.6-61.3179.5000114.3M356 Q357 R358 H363M356-L360 HydrophobicContact CE-CD1 3.8Å; M356-L360 HydrophobicContact CE-CD2 4.46Å; M356-L360 HydrophobicContact CE-CG 4.32Å; M356-L360 HydrophobicContact CG-CD1 4.49Å; M356-L360 VanDerWaalsContact O-CG 3.3Å; M356-L360 WeakPolarHBondContact O-CG 3.45Å; M356-L360 HydrophobicContact SD-CD1 4.07Å; M356-L360 HydrophobicContact SD-CG 4.19Å; Q357-L360 PolarHBondContact O-N 3.29Å; R358-L360 PolarHBondContact O-N 2.98Å; R358-L360 VanDerWaalsContact O-N 3.17Å; L360-H363 PolarHBondContact O-CD2 3.47Å; L360-H363 PolarHBondContact O-NE2 3.37Å; L360-H363 VanDerWaalsContact O-NE2 3.12Å
361K94.3Very high93.4Very high48 Ų4832.6 Ų32.621%0.20915%0.154CC..Hα-helixtrans-88.7-19.8175.1-59.4-52.2-179.1176.70113.3D180 Y183 Q357 R358 H363 L364 L365D180-K361 IonicContact OD1-NZ 2.9Å; D180-K361 PolarHBondContact OD1-NZ 3Å; D180-K361 IonicContact OD2-NZ 2.66Å; Y183-K361 HydrophobicContact CE1-CD 4.46Å; Y183-K361 HydrophobicContact CE1-CG 3.8Å; Y183-K361 HydrophobicContact CE2-CG 4.31Å; Y183-K361 WeakPolarHBondContact OH-CG 3.38Å; Q357-K361 WeakPolarHBondContact O-CG 3.19Å; Q357-K361 PolarHBondContact O-N 3.34Å; R358-K361 PolarHBondContact O-N 3.38Å; K361-H363 PolarHBondContact O-N 3.34Å; K361-L364 HydrophobicContact CD-CD1 4.11Å; K361-L364 WeakPolarHBondContact O-CA 3.4Å; K361-L364 WeakPolarHBondContact O-CB 3.21Å; K361-L364 PolarHBondContact O-N 3.17Å; K361-L365 PolarHBondContact O-N 3.38Å
362Y97.6Very high93.6Very high0 Ų035.5 Ų35.50%017%0.167CC..Hα-helixtrans-58.5-43.3-175-69.3-53.2000114.1E216 H260 F263 F296 F303 R358 V359 L364 L365 L366 M390E216-Y362 VanDerWaalsContact CD-OH 3.29Å; E216-Y362 PolarHBondContact OE1-OH 3.43Å; E216-Y362 WeakPolarHBondContact OE2-CE1 3.25Å; E216-Y362 PolarHBondContact OE2-OH 3.15Å; H260-Y362 PolarHBondContact CE1-OH 2.97Å; H260-Y362 PolarHBondContact ND1-OH 3.46Å; F263-Y362 AromaticContact CE1-CE1 3.97Å; F263-Y362 HydrophobicContact CE1-CE1 3.97Å; F296-Y362 AromaticContact CE1-CD1 3.53Å; F296-Y362 HydrophobicContact CE1-CD1 3.53Å; F296-Y362 HydrophobicContact CE1-CE1 4.17Å; F296-Y362 AromaticContact CE1-CG 3.77Å; F296-Y362 HydrophobicContact CE1-CG 3.77Å; F296-Y362 AromaticContact CZ-CD1 3.99Å; F296-Y362 HydrophobicContact CZ-CD1 3.99Å; F303-Y362 HydrophobicContact CE2-CE2 4.24Å; F303-Y362 HydrophobicContact CZ-CE2 4.31Å; R358-Y362 HydrophobicContact CG-CE2 4.29Å; R358-Y362 PolarHBondContact NE-OH 2.97Å; V359-Y362 HydrophobicContact CG2-CD2 4.42Å; Y362-L364 PolarHBondContact O-N 3.05Å; Y362-L365 PolarHBondContact O-N 3.42Å; Y362-L366 WeakPolarHBondContact O-CB 3.23Å; Y362-L366 WeakPolarHBondContact O-CG 3.33Å; Y362-L366 PolarHBondContact O-N 3.09Å; Y362-M390 HydrophobicContact CD2-SD 4.18Å; Y362-M390 HydrophobicContact CG-SD 4.34Å
363H96.3Very high93.6Very high44 Ų4435.7 Ų35.720%0.20417%0.168CC..Hα-helixtrans-68.7-2017878.186.3000112.9L360 K361 K367 W387 M390 R391 S394L360-H363 PolarHBondContact O-CD2 3.47Å; L360-H363 PolarHBondContact O-NE2 3.37Å; L360-H363 VanDerWaalsContact O-NE2 3.12Å; K361-H363 PolarHBondContact O-N 3.34Å; H363-K367 VanDerWaalsContact O-CB 3.28Å; H363-K367 WeakPolarHBondContact O-CB 3.41Å; H363-K367 PolarHBondContact O-N 3.19Å; H363-W387 PolarHBondContact O-NE1 2.92Å; H363-M390 HydrophobicContact CB-CB 4.05Å; H363-R391 HydrophobicContact CB-CB 4.2Å; H363-S394 PolarHBondContact CD2-OG 2.93Å
364L95.7Very high93.6Very high86 Ų8637.9 Ų37.945%0.4518%0.183SC..Hα-helixtrans-80.1-46.7174-59175.9000110.4K361 Y362 L366 K367 E368K361-L364 HydrophobicContact CD-CD1 4.11Å; K361-L364 WeakPolarHBondContact O-CA 3.4Å; K361-L364 WeakPolarHBondContact O-CB 3.21Å; K361-L364 PolarHBondContact O-N 3.17Å; Y362-L364 PolarHBondContact O-N 3.05Å; L364-L366 PolarHBondContact O-N 3.28Å; L364-K367 WeakPolarHBondContact O-CB 3.18Å; L364-K367 PolarHBondContact O-N 2.91Å; L364-K367 VanDerWaalsContact O-N 3.15Å; L364-E368 PolarHBondContact O-N 2.87Å
365L96.5Very high93.3Very high31 Ų3146 Ų4616%0.16222%0.221CC..Hα-helixtrans-58.1-47.2176.6-68.1170.5000111.3E211 L212 K361 Y362 K367 E368 L369E211-L365 HydrophobicContact CG-CD2 4.43Å; L212-L365 HydrophobicContact CD1-CD1 3.97Å; K361-L365 PolarHBondContact O-N 3.38Å; Y362-L365 PolarHBondContact O-N 3.42Å; L365-K367 VanDerWaalsContact C-N 3.32Å; L365-K367 PolarHBondContact O-N 2.89Å; L365-E368 PolarHBondContact O-N 2.84Å; L365-L369 WeakPolarHBondContact O-CB 3Å; L365-L369 PolarHBondContact O-N 2.98Å
366L96.8Very high92.9Very high0 Ų053 Ų530%026%0.259CS..Hα-helixtrans-66.5-32.4177.1-72.4172.2000112.9F296 Y362 L364 L369 L370 L383 W387 M390F296-L366 HydrophobicContact CB-CD1 4.32Å; F296-L366 HydrophobicContact CD1-CD1 3.91Å; F296-L366 HydrophobicContact CD2-CD1 3.82Å; F296-L366 HydrophobicContact CD2-CD2 3.84Å; F296-L366 HydrophobicContact CD2-CG 4.28Å; F296-L366 HydrophobicContact CE1-CD1 4.04Å; F296-L366 HydrophobicContact CE2-CD1 4Å; F296-L366 HydrophobicContact CE2-CD2 3.62Å; F296-L366 HydrophobicContact CE2-CG 4.04Å; F296-L366 HydrophobicContact CG-CD1 3.76Å; F296-L366 HydrophobicContact CZ-CD1 4.08Å; F296-L366 HydrophobicContact CZ-CD2 4.21Å; F296-L366 HydrophobicContact CZ-CG 4.15Å; Y362-L366 WeakPolarHBondContact O-CB 3.23Å; Y362-L366 WeakPolarHBondContact O-CG 3.33Å; Y362-L366 PolarHBondContact O-N 3.09Å; L364-L366 PolarHBondContact O-N 3.28Å; L366-L369 HydrophobicContact CD2-CD2 4.41Å; L366-L370 WeakPolarHBondContact O-CB 3.38Å; L366-L370 VanDerWaalsContact O-CG 3.32Å; L366-L370 WeakPolarHBondContact O-CG 3.47Å; L366-L370 PolarHBondContact O-N 3.15Å; L366-L383 HydrophobicContact CD2-CD2 4.13Å; L366-W387 HydrophobicContact CB-CB 4.01Å; L366-W387 HydrophobicContact CB-CG 4.48Å; L366-M390 HydrophobicContact CD1-CB 4.27Å; L366-M390 HydrophobicContact CD1-CG 3.84Å
367K96.3Very high92.6Very high127 Ų12753.5 Ų53.555%0.55226%0.264SS*.Hα-helixtrans-67.4-43.4176.5-169179.2178.8-174.40111.4H363 L364 L365 L370 K371H363-K367 VanDerWaalsContact O-CB 3.28Å; H363-K367 WeakPolarHBondContact O-CB 3.41Å; H363-K367 PolarHBondContact O-N 3.19Å; L364-K367 WeakPolarHBondContact O-CB 3.18Å; L364-K367 PolarHBondContact O-N 2.91Å; L364-K367 VanDerWaalsContact O-N 3.15Å; L365-K367 VanDerWaalsContact C-N 3.32Å; L365-K367 PolarHBondContact O-N 2.89Å; K367-L370 PolarHBondContact O-N 3.43Å; K367-K371 PolarHBondContact O-N 3.04Å
368E95.7Very high91.9Very high76 Ų7660.3 Ų60.336%0.35530%0.296SS..Hα-helixtrans-68.1-39.8176.9-168.661.6-158.500110.8L364 L365 L370 K371 H372L364-E368 PolarHBondContact O-N 2.87Å; L365-E368 PolarHBondContact O-N 2.84Å; E368-L370 PolarHBondContact O-N 3.06Å; E368-K371 WeakPolarHBondContact O-CB 3.34Å; E368-K371 PolarHBondContact O-N 3Å; E368-K371 VanDerWaalsContact O-N 3.17Å; E368-K371 IonicContact OE1-NZ 2.92Å; E368-K371 PolarHBondContact OE1-NZ 2.67Å; E368-K371 WeakPolarHBondContact OE2-CD 3.43Å; E368-K371 IonicContact OE2-NZ 3.85Å; E368-K371 PolarHBondContact OE2-NZ 2.82Å; E368-H372 PolarHBondContact O-CD2 3.1Å; E368-H372 PolarHBondContact O-N 2.63Å; E368-H372 IonicContact OE1-CD2 2.57Å; E368-H372 IonicContact OE1-CE1 3.64Å; E368-H372 IonicContact OE1-NE2 2.68Å; E368-H372 PolarHBondContact OE1-NE2 3.13Å
369L94.4Very high91.4Very high3 Ų361.5 Ų61.52%0.01630%0.301CS..Hα-helixtrans-58.9-44.8173.5-177.862.8000112.3L205 C208 I209 L365 L366 K371 H372 T373 L383L205-L369 HydrophobicContact CD1-CD1 3.57Å; L205-L369 HydrophobicContact CD1-CG 4.49Å; L205-L369 HydrophobicContact CG-CD1 4.44Å; C208-L369 HydrophobicContact CB-CB 4.19Å; C208-L369 HydrophobicContact CB-CD1 3.62Å; I209-L369 HydrophobicContact CD1-CD1 4.36Å; I209-L369 HydrophobicContact CG1-CD1 3.67Å; I209-L369 HydrophobicContact CG1-CD2 4.32Å; L365-L369 WeakPolarHBondContact O-CB 3Å; L365-L369 PolarHBondContact O-N 2.98Å; L366-L369 HydrophobicContact CD2-CD2 4.41Å; L369-K371 VanDerWaalsContact C-N 3.27Å; L369-K371 PolarHBondContact O-N 2.89Å; L369-H372 PolarHBondContact O-N 3.24Å; L369-T373 PolarHBondContact O-N 3.41Å; L369-T373 VanDerWaalsContact O-N 3.14Å; L369-T373 PolarHBondContact O-OG1 3.41Å; L369-L383 HydrophobicContact CD2-CD1 4.1Å; L369-L383 HydrophobicContact CD2-CD2 3.56Å; L369-L383 HydrophobicContact CD2-CG 4.49Å; L369-L383 HydrophobicContact CG-CD1 4.09Å; L369-L383 HydrophobicContact CG-CD2 4.38Å
370L94.2Very high91.2Very high22 Ų2265.1 Ų65.112%0.11532%0.315CS..Hα-helixtrans-62.5-30.5176.7-83.3169000113.8L366 K367 E368 H372 T373 R380 L383 W387L366-L370 WeakPolarHBondContact O-CB 3.38Å; L366-L370 VanDerWaalsContact O-CG 3.32Å; L366-L370 WeakPolarHBondContact O-CG 3.47Å; L366-L370 PolarHBondContact O-N 3.15Å; K367-L370 PolarHBondContact O-N 3.43Å; E368-L370 PolarHBondContact O-N 3.06Å; L370-H372 VanDerWaalsContact C-N 3.3Å; L370-T373 PolarHBondContact O-N 2.96Å; L370-R380 HydrophobicContact CD2-CG 4.17Å; L370-R380 PolarHBondContact O-NH1 3Å; L370-L383 HydrophobicContact CD2-CB 3.5Å; L370-L383 HydrophobicContact CD2-CD1 4.48Å; L370-L383 HydrophobicContact CG-CB 4Å; L370-W387 HydrophobicContact CD1-CB 3.65Å; L370-W387 HydrophobicContact CD1-CG 3.97Å
371K94.4Very high91.2Very high140 Ų14068 Ų6861%0.60933%0.334SS*.Hα-helixtrans-67.6-31.6178.2178.1-174.4161.9-156.40112K367 E368 L369K367-K371 PolarHBondContact O-N 3.04Å; E368-K371 WeakPolarHBondContact O-CB 3.34Å; E368-K371 PolarHBondContact O-N 3Å; E368-K371 VanDerWaalsContact O-N 3.17Å; E368-K371 IonicContact OE1-NZ 2.92Å; E368-K371 PolarHBondContact OE1-NZ 2.67Å; E368-K371 WeakPolarHBondContact OE2-CD 3.43Å; E368-K371 IonicContact OE2-NZ 3.85Å; E368-K371 PolarHBondContact OE2-NZ 2.82Å; L369-K371 VanDerWaalsContact C-N 3.27Å; L369-K371 PolarHBondContact O-N 2.89Å
372H92.5Very high91.1Very high62 Ų6266 Ų6629%0.28733%0.326SS..Hα-helixtrans-94.8-7.2177.7-60-64.7000113.6L205 E368 L369 L370L205-H372 HydrophobicContact CB-CB 4.22Å; L205-H372 HydrophobicContact CD1-CB 4.07Å; E368-H372 PolarHBondContact O-CD2 3.1Å; E368-H372 PolarHBondContact O-N 2.63Å; E368-H372 IonicContact OE1-CD2 2.57Å; E368-H372 IonicContact OE1-CE1 3.64Å; E368-H372 IonicContact OE1-NE2 2.68Å; E368-H372 PolarHBondContact OE1-NE2 3.13Å; L369-H372 PolarHBondContact O-N 3.24Å; L370-H372 VanDerWaalsContact C-N 3.3Å
373T90.7Very high90.9Very high5 Ų566 Ų663%0.03133%0.326CS..SBendtrans-83122.5179-55.70000110.5L205 L369 L370 C377 R380 L383L205-T373 WeakPolarHBondContact CD1-OG1 3.43Å; L369-T373 PolarHBondContact O-N 3.41Å; L369-T373 VanDerWaalsContact O-N 3.14Å; L369-T373 PolarHBondContact O-OG1 3.41Å; L370-T373 PolarHBondContact O-N 2.96Å; T373-C377 HydrophobicContact CG2-CB 3.82Å; T373-R380 HydrophobicContact CG2-CB 3.98Å; T373-R380 HydrophobicContact CG2-CG 4.4Å; T373-R380 PolarHBondContact O-NH1 2.97Å; T373-L383 HydrophobicContact CG2-CD1 4.19Å
374P89.4Confident90.9Very high68 Ų6866.7 Ų66.744%0.44234%0.336SS..  trans-55148.1177.1-25.534.8000113.4D376 C377 R380P374-D376 VanDerWaalsContact C-N 3.26Å; P374-D376 WeakPolarHBondContact CB-OD1 3.17Å; P374-D376 PolarHBondContact O-N 3.17Å; P374-C377 HydrophobicContact CB-CB 4.38Å; P374-C377 VanDerWaalsContact O-CB 3.27Å; P374-C377 WeakPolarHBondContact O-CB 3.27Å; P374-C377 PolarHBondContact O-N 3.12Å; P374-R380 WeakPolarHBondContact O-CD 3.2Å
375E84.6Confident90.8Very high170 Ų17067.1 Ų67.179%0.79434%0.338SS*.THydrogen-bonded Turntrans-64.8-28.7-176.5-66.9-160.7147.300113.8
376D82.3Confident90.8Very high147 Ų14765.6 Ų65.679%0.78633%0.331SS*.THydrogen-bonded Turntrans-87.8-2.2-179.760-33.5000113.9P374P374-D376 VanDerWaalsContact C-N 3.26Å; P374-D376 WeakPolarHBondContact CB-OD1 3.17Å; P374-D376 PolarHBondContact O-N 3.17Å
377C83.1Confident90.8Very high32 Ų3268.2 Ų68.222%0.21634%0.34CS..  trans-71.5127.2178.9-1760000111.5T373 P374 E379 R380T373-C377 HydrophobicContact CG2-CB 3.82Å; P374-C377 HydrophobicContact CB-CB 4.38Å; P374-C377 VanDerWaalsContact O-CB 3.27Å; P374-C377 WeakPolarHBondContact O-CB 3.27Å; P374-C377 PolarHBondContact O-N 3.12Å; C377-E379 PolarHBondContact O-N 3.12Å; C377-R380 HydrophobicContact CB-CB 4.47Å; C377-R380 VanDerWaalsContact O-CB 3.22Å; C377-R380 WeakPolarHBondContact O-CB 3.27Å; C377-R380 PolarHBondContact O-N 3.33Å
378E75.6Confident90.8Very high164 Ų16464.7 Ų64.777%0.76633%0.328SS*.THydrogen-bonded Turntrans-54.9-36.5177.6-171.9175.2-173.800112.3R380E378-R380 VanDerWaalsContact C-N 3.27Å; E378-R380 PolarHBondContact O-N 3.35Å
379E84.1Confident90.8Very high27 Ų2761.4 Ų61.413%0.12631%0.314CS..Hα-helixtrans-70.1-19-179.9-78.9164.6147.700114.1W274 H291 C377 T381 S382 L383W274-E379 VanDerWaalsContact CE3-CD 3.4Å; W274-E379 VanDerWaalsContact CE3-OE2 3.24Å; W274-E379 HydrophobicContact CH2-CB 4.07Å; W274-E379 HydrophobicContact CH2-CG 4.45Å; W274-E379 WeakPolarHBondContact CH2-OE2 3.32Å; W274-E379 HydrophobicContact CZ3-CB 3.83Å; W274-E379 HydrophobicContact CZ3-CG 3.87Å; W274-E379 WeakPolarHBondContact CZ3-OE1 3.35Å; W274-E379 WeakPolarHBondContact CZ3-OE2 3.33Å; H291-E379 HydrophobicContact CB-CG 4.07Å; H291-E379 VanDerWaalsContact CE1-CG 3.46Å; H291-E379 WeakPolarHBondContact CE1-CG 3.26Å; H291-E379 IonicContact CE1-OE1 2.73Å; H291-E379 PolarHBondContact CE1-OE1 3.26Å; H291-E379 IonicContact CG-OE1 3.25Å; H291-E379 WeakPolarHBondContact ND1-CG 3.34Å; H291-E379 IonicContact ND1-OE1 3.72Å; H291-E379 PolarHBondContact ND1-OE1 2.86Å; C377-E379 PolarHBondContact O-N 3.12Å; E379-T381 VanDerWaalsContact C-N 3.26Å; E379-T381 PolarHBondContact O-N 3.42Å; E379-S382 WeakPolarHBondContact O-CB 3.31Å; E379-S382 PolarHBondContact O-N 3.49Å; E379-L383 WeakPolarHBondContact O-CG 3.29Å; E379-L383 PolarHBondContact O-N 3.27Å
380R89.9Confident91Very high75 Ų7561.3 Ų61.328%0.28331%0.313SS..Hα-helixtrans-59.4-37-178.3-173.6176179.1771.1112.3L370 T373 P374 C377 E378 L383 S384L370-R380 HydrophobicContact CD2-CG 4.17Å; L370-R380 PolarHBondContact O-NH1 3Å; T373-R380 HydrophobicContact CG2-CB 3.98Å; T373-R380 HydrophobicContact CG2-CG 4.4Å; T373-R380 PolarHBondContact O-NH1 2.97Å; P374-R380 WeakPolarHBondContact O-CD 3.2Å; C377-R380 HydrophobicContact CB-CB 4.47Å; C377-R380 VanDerWaalsContact O-CB 3.22Å; C377-R380 WeakPolarHBondContact O-CB 3.27Å; C377-R380 PolarHBondContact O-N 3.33Å; E378-R380 VanDerWaalsContact C-N 3.27Å; E378-R380 PolarHBondContact O-N 3.35Å; R380-L383 PolarHBondContact O-N 2.79Å; R380-S384 WeakPolarHBondContact O-CB 3.16Å; R380-S384 PolarHBondContact O-N 3.44Å
381T90.9Very high91.1Very high100 Ų10065.6 Ų65.661%0.61333%0.328SS*.Hα-helixtrans-65.2-47.6177.8-58.50000111E379 L383 S384 L385E379-T381 VanDerWaalsContact C-N 3.26Å; E379-T381 PolarHBondContact O-N 3.42Å; T381-L383 PolarHBondContact O-N 3.49Å; T381-S384 PolarHBondContact O-N 3.34Å; T381-L385 HydrophobicContact CG2-CD1 4.46Å; T381-L385 WeakPolarHBondContact O-CG 3.47Å; T381-L385 PolarHBondContact O-N 3.27Å
382S92.1Very high91.1Very high6 Ų659 Ų594%0.04230%0.299CS..Hα-helixtrans-58.3-48.7176.1179.30000111.1G293 D294 E379 S384 L385 G386G293-S382 WeakPolarHBondContact CA-O 3.44Å; G293-S382 VanDerWaalsContact CA-OG 3.32Å; G293-S382 WeakPolarHBondContact CA-OG 3.45Å; G293-S382 PolarHBondContact N-OG 2.87Å; D294-S382 PolarHBondContact N-OG 2.76Å; D294-S382 WeakPolarHBondContact OD1-CB 3.4Å; D294-S382 PolarHBondContact OD1-OG 3.4Å; D294-S382 PolarHBondContact OD2-OG 3.43Å; E379-S382 WeakPolarHBondContact O-CB 3.31Å; E379-S382 PolarHBondContact O-N 3.49Å; S382-S384 VanDerWaalsContact C-N 3.31Å; S382-S384 PolarHBondContact O-N 2.97Å; S382-L385 PolarHBondContact O-N 2.93Å; S382-G386 PolarHBondContact O-N 2.85Å
383L94.5Very high91.3Very high1 Ų156 Ų561%0.00529%0.286CS..Hα-helixtrans-61.4-37.4177.8-70.5175.3000112.7V292 L366 L369 L370 T373 E379 R380 T381 G386 W387V292-L383 HydrophobicContact CB-CD2 4.13Å; V292-L383 HydrophobicContact CG1-CD2 4.25Å; L366-L383 HydrophobicContact CD2-CD2 4.13Å; L369-L383 HydrophobicContact CD2-CD1 4.1Å; L369-L383 HydrophobicContact CD2-CD2 3.56Å; L369-L383 HydrophobicContact CD2-CG 4.49Å; L369-L383 HydrophobicContact CG-CD1 4.09Å; L369-L383 HydrophobicContact CG-CD2 4.38Å; L370-L383 HydrophobicContact CD2-CB 3.5Å; L370-L383 HydrophobicContact CD2-CD1 4.48Å; L370-L383 HydrophobicContact CG-CB 4Å; T373-L383 HydrophobicContact CG2-CD1 4.19Å; E379-L383 WeakPolarHBondContact O-CG 3.29Å; E379-L383 PolarHBondContact O-N 3.27Å; R380-L383 PolarHBondContact O-N 2.79Å; T381-L383 PolarHBondContact O-N 3.49Å; L383-G386 PolarHBondContact O-N 3.43Å; L383-W387 WeakPolarHBondContact O-CB 3.47Å; L383-W387 PolarHBondContact O-N 2.97Å
384S95Very high91.4Very high59 Ų5956 Ų5641%0.41329%0.285SS..Hα-helixtrans-64.9-44176.7-172.80000111.8R380 T381 S382 W387 D388R380-S384 WeakPolarHBondContact O-CB 3.16Å; R380-S384 PolarHBondContact O-N 3.44Å; T381-S384 PolarHBondContact O-N 3.34Å; S382-S384 VanDerWaalsContact C-N 3.31Å; S382-S384 PolarHBondContact O-N 2.97Å; S384-W387 PolarHBondContact O-N 3.34Å; S384-D388 VanDerWaalsContact O-CB 3.29Å; S384-D388 WeakPolarHBondContact O-CB 3.47Å; S384-D388 PolarHBondContact O-N 2.94Å
385L93.6Very high91.6Very high94 Ų9455.5 Ų55.549%0.49228%0.279SS..Hα-helixtrans-64.2-43.3174.7-67.4172.9000111.7V297 T381 S382 D388 A389V297-L385 HydrophobicContact CG2-CB 3.93Å; T381-L385 HydrophobicContact CG2-CD1 4.46Å; T381-L385 WeakPolarHBondContact O-CG 3.47Å; T381-L385 PolarHBondContact O-N 3.27Å; S382-L385 PolarHBondContact O-N 2.93Å; L385-D388 PolarHBondContact O-N 3.47Å; L385-A389 WeakPolarHBondContact O-CB 3.33Å; L385-A389 PolarHBondContact O-N 3.29Å
386G95.9Very high92Very high0 Ų047.7 Ų47.70%024%0.242CC..Hα-helixtrans-60.6-44.317500000112.5S382 L383 A389 M390S382-G386 PolarHBondContact O-N 2.85Å; L383-G386 PolarHBondContact O-N 3.43Å; G386-A389 PolarHBondContact O-N 3.17Å; G386-M390 WeakPolarHBondContact O-CG 3.34Å; G386-M390 PolarHBondContact O-N 3.3Å
387W97.4Very high92.5Very high54 Ų5440.7 Ų40.721%0.20521%0.205CC..Hα-helixtrans-60.9-46.7176.7173.375.9000111.7H363 L366 L370 L383 S384 A389 M390 R391H363-W387 PolarHBondContact O-NE1 2.92Å; L366-W387 HydrophobicContact CB-CB 4.01Å; L366-W387 HydrophobicContact CB-CG 4.48Å; L370-W387 HydrophobicContact CD1-CB 3.65Å; L370-W387 HydrophobicContact CD1-CG 3.97Å; L383-W387 WeakPolarHBondContact O-CB 3.47Å; L383-W387 PolarHBondContact O-N 2.97Å; S384-W387 PolarHBondContact O-N 3.34Å; W387-A389 VanDerWaalsContact C-N 3.34Å; W387-M390 PolarHBondContact O-N 3.18Å; W387-R391 VanDerWaalsContact CH2-NH1 3.28Å; W387-R391 VanDerWaalsContact O-CB 3.31Å; W387-R391 WeakPolarHBondContact O-CB 3.39Å; W387-R391 PolarHBondContact O-N 2.93Å
388D96.2Very high92.7Very high53 Ų5342.5 Ų42.528%0.28321%0.212SC..Hα-helixtrans-67.9-33.7-178.9-175.642.9000112.2S384 L385 D392 K549S384-D388 VanDerWaalsContact O-CB 3.29Å; S384-D388 WeakPolarHBondContact O-CB 3.47Å; S384-D388 PolarHBondContact O-N 2.94Å; L385-D388 PolarHBondContact O-N 3.47Å; D388-D392 WeakPolarHBondContact O-CB 3.25Å; D388-D392 PolarHBondContact O-N 2.93Å; D388-D392 VanDerWaalsContact O-N 3.08Å; D388-K549 PolarHBondContact O-NZ 3.45Å; D388-K549 IonicContact OD1-NZ 2.66Å; D388-K549 PolarHBondContact OD1-NZ 3.29Å; D388-K549 IonicContact OD2-NZ 2.9Å; D388-K549 PolarHBondContact OD2-NZ 3.24Å
389A96Very high93.4Very high8 Ų836.9 Ų36.97%0.06619%0.186CC..Hα-helixtrans-65.4-47.1171.200000112.3V297 K300 L385 G386 W387 D392 L393V297-A389 HydrophobicContact CG2-CB 4.29Å; K300-A389 HydrophobicContact CB-CB 4.35Å; K300-A389 HydrophobicContact CD-CB 3.99Å; K300-A389 HydrophobicContact CG-CB 4.24Å; L385-A389 WeakPolarHBondContact O-CB 3.33Å; L385-A389 PolarHBondContact O-N 3.29Å; G386-A389 PolarHBondContact O-N 3.17Å; W387-A389 VanDerWaalsContact C-N 3.34Å; A389-D392 PolarHBondContact O-N 2.62Å; A389-L393 PolarHBondContact O-N 3.22Å
390M97.7Very high93.7Very high0 Ų035.6 Ų35.60%018%0.18CC..Hα-helixtrans-69.4-36.8178.8-70.4-58.9102.800112.4F296 K300 F303 Y362 H363 L366 G386 W387 D392 L393 S394F296-M390 HydrophobicContact CB-CE 4.44Å; F296-M390 HydrophobicContact CB-CG 4.26Å; F296-M390 HydrophobicContact CD1-CE 4.27Å; F296-M390 HydrophobicContact CD1-CG 3.43Å; F296-M390 VanDerWaalsContact CD1-CG 3.43Å; F296-M390 HydrophobicContact CD1-SD 3.66Å; F296-M390 HydrophobicContact CE1-CG 4.04Å; F296-M390 HydrophobicContact CE1-SD 4.26Å; F296-M390 HydrophobicContact CG-CG 4.16Å; F296-M390 WeakPolarHBondContact O-CE 3.46Å; K300-M390 HydrophobicContact CB-CE 4.12Å; K300-M390 HydrophobicContact CG-CE 4.49Å; F303-M390 HydrophobicContact CD2-CE 4.06Å; F303-M390 HydrophobicContact CD2-SD 4.1Å; F303-M390 HydrophobicContact CE2-CE 4.41Å; F303-M390 HydrophobicContact CE2-SD 4.21Å; Y362-M390 HydrophobicContact CD2-SD 4.18Å; Y362-M390 HydrophobicContact CG-SD 4.34Å; H363-M390 HydrophobicContact CB-CB 4.05Å; L366-M390 HydrophobicContact CD1-CB 4.27Å; L366-M390 HydrophobicContact CD1-CG 3.84Å; G386-M390 WeakPolarHBondContact O-CG 3.34Å; G386-M390 PolarHBondContact O-N 3.3Å; W387-M390 PolarHBondContact O-N 3.18Å; M390-D392 VanDerWaalsContact C-N 3.34Å; M390-L393 HydrophobicContact CE-CD2 4.14Å; M390-L393 PolarHBondContact O-N 3.25Å; M390-L393 HydrophobicContact SD-CD2 4.09Å; M390-S394 PolarHBondContact O-N 3.41Å; M390-S394 PolarHBondContact O-OG 3.22Å
391R96.3Very high93.4Very high112 Ų11234.2 Ų34.242%0.42318%0.18SC..Hα-helixtrans-62.2-43173.2-171.6-174.5120.7-178.73.3111.4H363 W387 S394 L395H363-R391 HydrophobicContact CB-CB 4.2Å; W387-R391 VanDerWaalsContact CH2-NH1 3.28Å; W387-R391 VanDerWaalsContact O-CB 3.31Å; W387-R391 WeakPolarHBondContact O-CB 3.39Å; W387-R391 PolarHBondContact O-N 2.93Å; R391-S394 PolarHBondContact O-N 3.49Å; R391-L395 HydrophobicContact CG-CD1 4.44Å; R391-L395 WeakPolarHBondContact O-CG 3.34Å; R391-L395 PolarHBondContact O-N 2.71Å
392D96Very high93.2Very high2 Ų234.5 Ų34.51%0.01117%0.17CC..Hα-helixtrans-63.5-42176.6-172.142.6000112.2K300 D388 A389 M390 L395 Y396 K549 F550 R552K300-D392 WeakPolarHBondContact CE-OD2 3.44Å; K300-D392 IonicContact NZ-OD2 2.74Å; K300-D392 PolarHBondContact NZ-OD2 2.79Å; D388-D392 WeakPolarHBondContact O-CB 3.25Å; D388-D392 PolarHBondContact O-N 2.93Å; D388-D392 VanDerWaalsContact O-N 3.08Å; A389-D392 PolarHBondContact O-N 2.62Å; M390-D392 VanDerWaalsContact C-N 3.34Å; D392-L395 PolarHBondContact O-N 3.3Å; D392-Y396 WeakPolarHBondContact O-CB 3.17Å; D392-Y396 PolarHBondContact O-N 3.46Å; D392-K549 HydrophobicContact CB-CD 3.99Å; D392-K549 WeakPolarHBondContact OD1-CB 3.49Å; D392-K549 VanDerWaalsContact OD2-CA 3.27Å; D392-K549 WeakPolarHBondContact OD2-CA 3.49Å; D392-F550 WeakPolarHBondContact OD2-CD2 3.47Å; D392-F550 PolarHBondContact OD2-N 2.91Å; D392-R552 IonicContact OD1-CZ 2.63Å; D392-R552 IonicContact OD1-NE 3.46Å; D392-R552 IonicContact OD1-NH2 2.65Å; D392-R552 PolarHBondContact OD1-NH2 2.95Å
393L95.8Very high93.1Very high0 Ų034.3 Ų34.30%017%0.168CC..Hα-helixtrans-59.8-45.8173.4176.366.8000112F303 V359 A389 M390 L395 Y396 L397 F550F303-L393 HydrophobicContact CB-CD1 4.36Å; F303-L393 HydrophobicContact CB-CD2 3.46Å; F303-L393 VanDerWaalsContact CB-CD2 3.46Å; F303-L393 HydrophobicContact CD2-CD2 3.94Å; F303-L393 HydrophobicContact CG-CD2 4.16Å; V359-L393 HydrophobicContact CG2-CD2 3.64Å; V359-L393 HydrophobicContact CG2-CG 4.29Å; A389-L393 PolarHBondContact O-N 3.22Å; M390-L393 HydrophobicContact CE-CD2 4.14Å; M390-L393 PolarHBondContact O-N 3.25Å; M390-L393 HydrophobicContact SD-CD2 4.09Å; L393-L395 VanDerWaalsContact C-N 3.34Å; L393-L395 PolarHBondContact O-N 3.33Å; L393-Y396 HydrophobicContact CD1-CD1 4.35Å; L393-Y396 WeakPolarHBondContact O-CB 3.35Å; L393-Y396 PolarHBondContact O-N 3.16Å; L393-L397 HydrophobicContact CD1-CD1 4.19Å; L393-L397 HydrophobicContact CD1-CG 4.19Å; L393-L397 HydrophobicContact CG-CD1 4.14Å; L393-L397 HydrophobicContact CG-CG 4.48Å; L393-L397 WeakPolarHBondContact O-CG 3.49Å; L393-L397 PolarHBondContact O-N 3.35Å; L393-F550 HydrophobicContact CD1-CE2 4.4Å
394S93.6Very high92.7Very high4 Ų435.5 Ų35.53%0.02818%0.176CC..Hα-helixtrans-62.1-41.3177.9-55.90000112.1H363 M390 R391 L397 N398H363-S394 PolarHBondContact CD2-OG 2.93Å; M390-S394 PolarHBondContact O-N 3.41Å; M390-S394 PolarHBondContact O-OG 3.22Å; R391-S394 PolarHBondContact O-N 3.49Å; S394-L397 PolarHBondContact O-N 3.12Å; S394-N398 WeakPolarHBondContact O-CB 3.44Å; S394-N398 PolarHBondContact O-N 3.4Å; S394-N398 PolarHBondContact O-ND2 3.26Å
395L92.2Very high92.2Very high57 Ų5736.8 Ų36.830%0.29818%0.176SC..Hα-helixtrans-64.4-40.8174.5-68170.6000111.6R391 D392 L393 E399R391-L395 HydrophobicContact CG-CD1 4.44Å; R391-L395 WeakPolarHBondContact O-CG 3.34Å; R391-L395 PolarHBondContact O-N 2.71Å; D392-L395 PolarHBondContact O-N 3.3Å; L393-L395 VanDerWaalsContact C-N 3.34Å; L393-L395 PolarHBondContact O-N 3.33Å; L395-E399 WeakPolarHBondContact O-CG 3.4Å; L395-E399 PolarHBondContact O-N 2.97Å; L395-E399 VanDerWaalsContact O-N 3.13Å
396Y94.3Very high92Very high7 Ų733.4 Ų33.43%0.02716%0.159CC..Hα-helixtrans-58.8-49.7173.7168.3-97.9000112.1D392 L393 N398 E399 V400 P541 F550D392-Y396 WeakPolarHBondContact O-CB 3.17Å; D392-Y396 PolarHBondContact O-N 3.46Å; L393-Y396 HydrophobicContact CD1-CD1 4.35Å; L393-Y396 WeakPolarHBondContact O-CB 3.35Å; L393-Y396 PolarHBondContact O-N 3.16Å; Y396-N398 PolarHBondContact O-N 2.96Å; Y396-E399 PolarHBondContact O-N 2.91Å; Y396-V400 HydrophobicContact CD1-CG2 4.38Å; Y396-V400 HydrophobicContact CE1-CG2 3.93Å; Y396-V400 HydrophobicContact CE2-CG2 4.1Å; Y396-V400 WeakPolarHBondContact O-CG2 3.4Å; Y396-V400 PolarHBondContact O-N 3.2Å; Y396-P541 HydrophobicContact CE2-CB 4.39Å; Y396-P541 WeakPolarHBondContact OH-CG 3.42Å; Y396-F550 HydrophobicContact CD2-CB 3.83Å; Y396-F550 HydrophobicContact CD2-CD2 4.46Å; Y396-F550 HydrophobicContact CD2-CG 4.15Å; Y396-F550 HydrophobicContact CG-CB 4.2Å; Y396-F550 HydrophobicContact CG-CD2 4.09Å; Y396-F550 HydrophobicContact CG-CG 4.24Å
397L91.8Very high91.7Very high0 Ų035.6 Ų35.60%017%0.169CC..Hα-helixtrans-67.8-33-179.2-66.5175.9000113.3Y306 M356 V359 L393 S394 V400 T401Y306-L397 HydrophobicContact CG-CD1 4.48Å; M356-L397 HydrophobicContact CE-CB 4.26Å; V359-L397 HydrophobicContact CB-CD1 4.28Å; V359-L397 HydrophobicContact CG1-CD1 3.53Å; V359-L397 HydrophobicContact CG2-CD1 3.71Å; L393-L397 HydrophobicContact CD1-CD1 4.19Å; L393-L397 HydrophobicContact CD1-CG 4.19Å; L393-L397 HydrophobicContact CG-CD1 4.14Å; L393-L397 HydrophobicContact CG-CG 4.48Å; L393-L397 WeakPolarHBondContact O-CG 3.49Å; L393-L397 PolarHBondContact O-N 3.35Å; S394-L397 PolarHBondContact O-N 3.12Å; L397-V400 PolarHBondContact O-N 3.27Å; L397-T401 PolarHBondContact O-N 2.93Å; L397-T401 PolarHBondContact O-OG1 2.84Å
398N87.7Confident91.2Very high70 Ų7036.2 Ų36.237%0.37417%0.174SC..Hα-helixtrans-64.4-42172.7-73.7-13.3000111.4S394 Y396 T401 R402S394-N398 WeakPolarHBondContact O-CB 3.44Å; S394-N398 PolarHBondContact O-N 3.4Å; S394-N398 PolarHBondContact O-ND2 3.26Å; Y396-N398 PolarHBondContact O-N 2.96Å; N398-T401 PolarHBondContact O-N 3.11Å; N398-R402 PolarHBondContact O-N 2.95Å
399E90.6Very high90.9Very high46 Ų4635 Ų3522%0.21517%0.168CC..Hα-helixtrans-68.1-35.6173.2-66.8-54.3143.500112.4L395 Y396 T401 R402 D403 R552L395-E399 WeakPolarHBondContact O-CG 3.4Å; L395-E399 PolarHBondContact O-N 2.97Å; L395-E399 VanDerWaalsContact O-N 3.13Å; Y396-E399 PolarHBondContact O-N 2.91Å; E399-T401 VanDerWaalsContact C-N 3.34Å; E399-T401 PolarHBondContact O-N 2.93Å; E399-R402 PolarHBondContact O-N 3.09Å; E399-R402 IonicContact OE1-CZ 3.02Å; E399-R402 VanDerWaalsContact OE1-CZ 3.32Å; E399-R402 IonicContact OE1-NH1 2.83Å; E399-R402 PolarHBondContact OE1-NH1 3.15Å; E399-R402 IonicContact OE1-NH2 2.73Å; E399-R402 IonicContact OE2-CZ 2.86Å; E399-R402 IonicContact OE2-NE 4Å; E399-R402 IonicContact OE2-NH1 3.78Å; E399-R402 PolarHBondContact OE2-NH1 3.09Å; E399-D403 WeakPolarHBondContact O-CB 3.43Å; E399-D403 PolarHBondContact O-N 3.04Å; E399-R552 HydrophobicContact CB-CB 3.75Å; E399-R552 HydrophobicContact CG-CB 3.53Å; E399-R552 HydrophobicContact CG-CG 4.42Å
400V90.3Very high90.8Very high0 Ų034.8 Ų34.80%017%0.165CC..Hα-helixtrans-59.1-47.3173167.80000110.7C310 Y396 L397 R402 D403 C404 L554C310-V400 HydrophobicContact CB-CG1 4.37Å; Y396-V400 HydrophobicContact CD1-CG2 4.38Å; Y396-V400 HydrophobicContact CE1-CG2 3.93Å; Y396-V400 HydrophobicContact CE2-CG2 4.1Å; Y396-V400 WeakPolarHBondContact O-CG2 3.4Å; Y396-V400 PolarHBondContact O-N 3.2Å; L397-V400 PolarHBondContact O-N 3.27Å; V400-R402 VanDerWaalsContact C-N 3.33Å; V400-R402 PolarHBondContact O-N 3.07Å; V400-D403 PolarHBondContact O-N 3.4Å; V400-C404 PolarHBondContact O-N 3.19Å; V400-C404 PolarHBondContact O-SG 2.77Å; V400-C404 VanDerWaalsContact O-SG 3.34Å; V400-L554 HydrophobicContact CB-CG 4.49Å; V400-L554 HydrophobicContact CG1-CD1 4.2Å; V400-L554 HydrophobicContact CG1-CD2 4Å; V400-L554 HydrophobicContact CG1-CG 4.07Å; V400-L554 HydrophobicContact CG2-CD2 4.14Å; V400-L554 HydrophobicContact CG2-CG 4.35Å
401T83.9Confident90.5Very high46 Ų4640.4 Ų40.428%0.28219%0.186SC..Hα-helixtrans-59.2-44.8176.5-52.80000111.2L397 N398 E399 C404 E405L397-T401 PolarHBondContact O-N 2.93Å; L397-T401 PolarHBondContact O-OG1 2.84Å; N398-T401 PolarHBondContact O-N 3.11Å; E399-T401 VanDerWaalsContact C-N 3.34Å; E399-T401 PolarHBondContact O-N 2.93Å; T401-C404 WeakPolarHBondContact O-CB 3.48Å; T401-C404 PolarHBondContact O-N 2.91Å; T401-E405 PolarHBondContact O-N 3.04Å; T401-E405 VanDerWaalsContact O-N 3.16Å
402R85.8Confident90.3Very high106 Ų10636.3 Ų36.340%0.417%0.173SC..Hα-helixtrans-64.5-40177.3-171.7-175.3-64151.54.5112.8N398 E399 V400 C404 E405 T406N398-R402 PolarHBondContact O-N 2.95Å; E399-R402 PolarHBondContact O-N 3.09Å; E399-R402 IonicContact OE1-CZ 3.02Å; E399-R402 VanDerWaalsContact OE1-CZ 3.32Å; E399-R402 IonicContact OE1-NH1 2.83Å; E399-R402 PolarHBondContact OE1-NH1 3.15Å; E399-R402 IonicContact OE1-NH2 2.73Å; E399-R402 IonicContact OE2-CZ 2.86Å; E399-R402 IonicContact OE2-NE 4Å; E399-R402 IonicContact OE2-NH1 3.78Å; E399-R402 PolarHBondContact OE2-NH1 3.09Å; V400-R402 VanDerWaalsContact C-N 3.33Å; V400-R402 PolarHBondContact O-N 3.07Å; R402-C404 VanDerWaalsContact C-N 3.33Å; R402-E405 PolarHBondContact O-N 3.05Å; R402-T406 WeakPolarHBondContact O-CB 3.38Å; R402-T406 PolarHBondContact O-N 3.32Å; R402-T406 PolarHBondContact O-OG1 2.9Å
403D90.6Very high90.2Very high1 Ų136.3 Ų36.31%0.00517%0.173CC..Hα-helixtrans-67.1-36.4177.5-87.7-1.2000110.7E399 V400 T406 Q407 R435 G553 L554 F555E399-D403 WeakPolarHBondContact O-CB 3.43Å; E399-D403 PolarHBondContact O-N 3.04Å; V400-D403 PolarHBondContact O-N 3.4Å; D403-T406 PolarHBondContact O-N 2.88Å; D403-Q407 WeakPolarHBondContact O-CB 3.42Å; D403-Q407 VanDerWaalsContact O-CG 3.23Å; D403-Q407 WeakPolarHBondContact O-CG 3.44Å; D403-Q407 PolarHBondContact O-N 2.9Å; D403-R435 VanDerWaalsContact CG-NH2 3.35Å; D403-R435 IonicContact OD1-CZ 2.91Å; D403-R435 IonicContact OD1-NE 3.98Å; D403-R435 IonicContact OD1-NH2 2.78Å; D403-R435 PolarHBondContact OD1-NH2 2.86Å; D403-R435 IonicContact OD2-NH2 3.68Å; D403-R435 PolarHBondContact OD2-NH2 3.2Å; D403-G553 VanDerWaalsContact OD2-CA 3.24Å; D403-G553 WeakPolarHBondContact OD2-CA 3.44Å; D403-L554 HydrophobicContact CB-CB 4.04Å; D403-L554 HydrophobicContact CB-CD1 4.28Å; D403-L554 HydrophobicContact CB-CG 4.19Å; D403-L554 PolarHBondContact OD2-N 3.34Å; D403-F555 HydrophobicContact CB-CD1 3.94Å; D403-F555 HydrophobicContact CB-CE1 3.68Å; D403-F555 VanDerWaalsContact CG-CE1 3.49Å; D403-F555 PolarHBondContact OD2-N 3.21Å
404C87.1Confident90.2Very high26 Ų2639.1 Ų39.118%0.17619%0.186CC..Hα-helixtrans-60.3-45.9172.2-72.40000112.6S311 V400 T401 R402 T406 Q407 Q408 L554S311-C404 PolarHBondContact OG-SG 3.1Å; V400-C404 PolarHBondContact O-N 3.19Å; V400-C404 PolarHBondContact O-SG 2.77Å; V400-C404 VanDerWaalsContact O-SG 3.34Å; T401-C404 WeakPolarHBondContact O-CB 3.48Å; T401-C404 PolarHBondContact O-N 2.91Å; R402-C404 VanDerWaalsContact C-N 3.33Å; C404-T406 VanDerWaalsContact C-N 3.32Å; C404-Q407 PolarHBondContact O-N 2.96Å; C404-Q408 PolarHBondContact O-N 3.25Å; C404-Q408 VanDerWaalsContact O-N 3.15Å; C404-L554 WeakPolarHBondContact SG-CD1 3.3Å
405E83.4Confident90.2Very high86 Ų8642.7 Ų42.740%0.40221%0.211SC..Hα-helixtrans-58.8-46.2173.3-67.5169-177.200110.5R67 T401 R402 Q407 Q408 I409R67-E405 IonicContact NH1-OE2 2.88Å; T401-E405 PolarHBondContact O-N 3.04Å; T401-E405 VanDerWaalsContact O-N 3.16Å; R402-E405 PolarHBondContact O-N 3.05Å; E405-Q407 PolarHBondContact O-N 2.9Å; E405-Q408 WeakPolarHBondContact O-CB 3.42Å; E405-Q408 PolarHBondContact O-N 3.38Å; E405-Q408 VanDerWaalsContact O-N 3.15Å; E405-I409 WeakPolarHBondContact O-CG1 3.47Å; E405-I409 PolarHBondContact O-N 3.14Å
406T88.9Confident90.3Very high23 Ų2340.3 Ų40.314%0.14120%0.199CC..Hα-helixtrans-62.8-42178.9-53.60000111.8R402 D403 C404 Q408 I409 I410 P436 F555R402-T406 WeakPolarHBondContact O-CB 3.38Å; R402-T406 PolarHBondContact O-N 3.32Å; R402-T406 PolarHBondContact O-OG1 2.9Å; D403-T406 PolarHBondContact O-N 2.88Å; C404-T406 VanDerWaalsContact C-N 3.32Å; T406-Q408 VanDerWaalsContact C-N 3.27Å; T406-Q408 PolarHBondContact O-N 3.2Å; T406-I409 WeakPolarHBondContact O-CB 3.24Å; T406-I409 PolarHBondContact O-N 2.93Å; T406-I409 VanDerWaalsContact O-N 3.13Å; T406-I410 HydrophobicContact CG2-CD1 4.16Å; T406-I410 HydrophobicContact CG2-CG1 4.44Å; T406-I410 VanDerWaalsContact O-CG1 3.29Å; T406-I410 WeakPolarHBondContact O-CG1 3.27Å; T406-I410 PolarHBondContact O-N 2.86Å; T406-P436 HydrophobicContact CG2-CG 3.93Å; T406-F555 HydrophobicContact CG2-CZ 3.84Å
407Q90.3Very high90.4Very high47 Ų4740.4 Ų40.422%0.2220%0.2CC..Hα-helixtrans-60.4-36.4175.5-75-177.26.700112.4D403 C404 E405 R411 I431 F555D403-Q407 WeakPolarHBondContact O-CB 3.42Å; D403-Q407 VanDerWaalsContact O-CG 3.23Å; D403-Q407 WeakPolarHBondContact O-CG 3.44Å; D403-Q407 PolarHBondContact O-N 2.9Å; C404-Q407 PolarHBondContact O-N 2.96Å; E405-Q407 PolarHBondContact O-N 2.9Å; Q407-R411 WeakPolarHBondContact O-CG 3.3Å; Q407-R411 PolarHBondContact O-N 2.74Å; Q407-R411 PolarHBondContact O-NE 3.04Å; Q407-I431 HydrophobicContact CG-CD1 3.63Å; Q407-F555 HydrophobicContact CG-CD1 4.24Å; Q407-F555 HydrophobicContact CG-CE1 3.9Å
408Q87.1Confident90.5Very high66 Ų6643 Ų4331%0.30821%0.214SC..Hα-helixtrans-65.9-44.7173.8-173.663.556.400110.9C404 E405 T406 I410 R411 D412C404-Q408 PolarHBondContact O-N 3.25Å; C404-Q408 VanDerWaalsContact O-N 3.15Å; E405-Q408 WeakPolarHBondContact O-CB 3.42Å; E405-Q408 PolarHBondContact O-N 3.38Å; E405-Q408 VanDerWaalsContact O-N 3.15Å; T406-Q408 VanDerWaalsContact C-N 3.27Å; T406-Q408 PolarHBondContact O-N 3.2Å; Q408-I410 VanDerWaalsContact C-N 3.32Å; Q408-I410 PolarHBondContact O-N 3.15Å; Q408-R411 PolarHBondContact O-N 2.82Å; Q408-R411 VanDerWaalsContact O-N 3.17Å; Q408-D412 PolarHBondContact NE2-OD1 2.65Å; Q408-D412 VanDerWaalsContact O-CG 3.22Å; Q408-D412 PolarHBondContact O-N 2.82Å
409I90.2Very high90.6Very high29 Ų2944 Ų4415%0.14922%0.219CC..Hα-helixtrans-57.6-45.6175.5-64164.6000110.8N65 E405 T406 R411 D412 I413N65-I409 WeakPolarHBondContact ND2-CD1 3.3Å; E405-I409 WeakPolarHBondContact O-CG1 3.47Å; E405-I409 PolarHBondContact O-N 3.14Å; T406-I409 WeakPolarHBondContact O-CB 3.24Å; T406-I409 PolarHBondContact O-N 2.93Å; T406-I409 VanDerWaalsContact O-N 3.13Å; I409-R411 VanDerWaalsContact C-N 3.33Å; I409-R411 PolarHBondContact O-N 2.93Å; I409-D412 PolarHBondContact O-N 2.89Å; I409-I413 HydrophobicContact CG2-CD1 3.87Å; I409-I413 HydrophobicContact CG2-CG1 4.38Å; I409-I413 WeakPolarHBondContact O-CG1 3.34Å; I409-I413 PolarHBondContact O-N 3.34Å
410I93.4Very high90.7Very high2 Ų242.1 Ų42.11%0.0121%0.211CC..Hα-helixtrans-61.8-41.7178.5-64172.5000111.1T406 Q408 I413 Q414 L430 I431 P436 F466 F555T406-I410 HydrophobicContact CG2-CD1 4.16Å; T406-I410 HydrophobicContact CG2-CG1 4.44Å; T406-I410 VanDerWaalsContact O-CG1 3.29Å; T406-I410 WeakPolarHBondContact O-CG1 3.27Å; T406-I410 PolarHBondContact O-N 2.86Å; Q408-I410 VanDerWaalsContact C-N 3.32Å; Q408-I410 PolarHBondContact O-N 3.15Å; I410-I413 PolarHBondContact O-N 3.08Å; I410-Q414 WeakPolarHBondContact O-CB 3.24Å; I410-Q414 PolarHBondContact O-N 2.84Å; I410-L430 HydrophobicContact CG2-CB 3.62Å; I410-I431 HydrophobicContact CD1-CB 4.29Å; I410-I431 HydrophobicContact CD1-CG1 4Å; I410-I431 HydrophobicContact CG2-CB 4.22Å; I410-P436 HydrophobicContact CG1-CG 4.2Å; I410-F466 HydrophobicContact CD1-CE1 4.41Å; I410-F466 HydrophobicContact CG1-CE1 4.05Å; I410-F466 HydrophobicContact CG2-CE1 4.25Å; I410-F555 HydrophobicContact CD1-CE2 4.05Å; I410-F555 HydrophobicContact CD1-CZ 4.04Å
411R92.1Very high90.5Very high118 Ų11847.4 Ų47.445%0.44524%0.243SC..Hα-helixtrans-63.8-41.6175.9-78-178.2-96125.4-3.8111.7Q407 Q408 I409 Q414 S415Q407-R411 WeakPolarHBondContact O-CG 3.3Å; Q407-R411 PolarHBondContact O-N 2.74Å; Q407-R411 PolarHBondContact O-NE 3.04Å; Q408-R411 PolarHBondContact O-N 2.82Å; Q408-R411 VanDerWaalsContact O-N 3.17Å; I409-R411 VanDerWaalsContact C-N 3.33Å; I409-R411 PolarHBondContact O-N 2.93Å; R411-Q414 PolarHBondContact O-N 2.79Å; R411-S415 WeakPolarHBondContact O-CB 3.38Å; R411-S415 PolarHBondContact O-N 3.03Å; R411-S415 PolarHBondContact O-OG 3.29Å
412D91.9Very high90.6Very high27 Ų2751.8 Ų51.814%0.14426%0.26CS..Hα-helixtrans-64-46.9176.9-65.8-6.7000110.9F73 K77 Q408 I409 Q414 S415 S416F73-D412 HydrophobicContact CE1-CB 3.99Å; F73-D412 HydrophobicContact CZ-CB 4.18Å; K77-D412 IonicContact NZ-OD2 3.62Å; K77-D412 PolarHBondContact NZ-OD2 2.85Å; Q408-D412 PolarHBondContact NE2-OD1 2.65Å; Q408-D412 VanDerWaalsContact O-CG 3.22Å; Q408-D412 PolarHBondContact O-N 2.82Å; I409-D412 PolarHBondContact O-N 2.89Å; D412-Q414 PolarHBondContact O-N 2.9Å; D412-S415 PolarHBondContact O-N 3.02Å; D412-S415 PolarHBondContact O-OG 3.08Å; D412-S416 WeakPolarHBondContact O-CB 3.31Å; D412-S416 PolarHBondContact O-N 3.46Å
413I94.3Very high90.8Very high1 Ų149.5 Ų49.51%0.00525%0.252CS..Hα-helixtrans-55.9-51.9173.7-68.6168.6000109.9F73 I409 I410 S415 S416 I417 L430 F464 F466F73-I413 HydrophobicContact CD1-CG1 3.72Å; F73-I413 HydrophobicContact CE1-CG1 3.74Å; F73-I413 HydrophobicContact CG-CG1 4.35Å; F73-I413 HydrophobicContact CZ-CG1 4.37Å; I409-I413 HydrophobicContact CG2-CD1 3.87Å; I409-I413 HydrophobicContact CG2-CG1 4.38Å; I409-I413 WeakPolarHBondContact O-CG1 3.34Å; I409-I413 PolarHBondContact O-N 3.34Å; I410-I413 PolarHBondContact O-N 3.08Å; I413-S415 VanDerWaalsContact C-N 3.29Å; I413-S415 PolarHBondContact O-N 3.36Å; I413-S416 WeakPolarHBondContact O-CB 3.36Å; I413-S416 PolarHBondContact O-N 2.9Å; I413-S416 PolarHBondContact O-OG 3.4Å; I413-I417 HydrophobicContact CG2-CD1 3.86Å; I413-I417 WeakPolarHBondContact O-CG1 3.37Å; I413-I417 PolarHBondContact O-N 3.23Å; I413-L430 HydrophobicContact CG2-CD2 3.87Å; I413-F464 HydrophobicContact CD1-CD1 4.06Å; I413-F464 HydrophobicContact CD1-CE1 4.32Å; I413-F464 HydrophobicContact CG1-CD1 4.19Å; I413-F464 HydrophobicContact CG1-CE1 4.01Å; I413-F464 HydrophobicContact CG2-CD1 3.71Å; I413-F464 HydrophobicContact CG2-CD2 4.38Å; I413-F464 HydrophobicContact CG2-CE1 3.84Å; I413-F464 HydrophobicContact CG2-CE2 4.49Å; I413-F464 HydrophobicContact CG2-CG 3.99Å; I413-F464 HydrophobicContact CG2-CZ 4.23Å; I413-F466 HydrophobicContact CD1-CZ 4.4Å; I413-F466 HydrophobicContact CG2-CZ 4.45Å
414Q95.4Very high90.7Very high60 Ų6050 Ų5028%0.2825%0.254SS..Hα-helixtrans-57.9-40.4-179.7-174.9169.2-63.500112.2I410 R411 D412 S416 L420 S429 L430I410-Q414 WeakPolarHBondContact O-CB 3.24Å; I410-Q414 PolarHBondContact O-N 2.84Å; R411-Q414 PolarHBondContact O-N 2.79Å; D412-Q414 PolarHBondContact O-N 2.9Å; Q414-S416 VanDerWaalsContact C-N 3.32Å; Q414-S416 PolarHBondContact O-N 3.37Å; Q414-L420 HydrophobicContact CG-CD2 3.88Å; Q414-S429 PolarHBondContact OE1-OG 3.16Å; Q414-L430 HydrophobicContact CB-CD2 4.2Å
415S93.4Very high90.4Very high78 Ų7851.8 Ų51.855%0.54527%0.266SS..Hα-helixtrans-73.2-21.4177.975.60000114.2R411 D412 I413R411-S415 WeakPolarHBondContact O-CB 3.38Å; R411-S415 PolarHBondContact O-N 3.03Å; R411-S415 PolarHBondContact O-OG 3.29Å; D412-S415 PolarHBondContact O-N 3.02Å; D412-S415 PolarHBondContact O-OG 3.08Å; I413-S415 VanDerWaalsContact C-N 3.29Å; I413-S415 PolarHBondContact O-N 3.36Å
416S94.7Very high90.1Very high7 Ų757.3 Ų57.35%0.04929%0.288CS..Hα-helixtrans-82-1617979.50000113.7D412 I413 Q414 R480 Y481D412-S416 WeakPolarHBondContact O-CB 3.31Å; D412-S416 PolarHBondContact O-N 3.46Å; I413-S416 WeakPolarHBondContact O-CB 3.36Å; I413-S416 PolarHBondContact O-N 2.9Å; I413-S416 PolarHBondContact O-OG 3.4Å; Q414-S416 VanDerWaalsContact C-N 3.32Å; Q414-S416 PolarHBondContact O-N 3.37Å; S416-R480 WeakPolarHBondContact O-CA 3.47Å; S416-Y481 PolarHBondContact O-N 2.9Å
417I95.9Very high89.5Confident9 Ų960.3 Ų60.35%0.04631%0.31CS..EExtended strand (participates in β ladder)trans-100.6105.8-175.5-56.1165.4000110.4I413 L420 F464 L471 Y481I413-I417 HydrophobicContact CG2-CD1 3.86Å; I413-I417 WeakPolarHBondContact O-CG1 3.37Å; I413-I417 PolarHBondContact O-N 3.23Å; I417-L420 HydrophobicContact CB-CB 4.21Å; I417-L420 HydrophobicContact CB-CD2 4.24Å; I417-L420 HydrophobicContact CD1-CD2 4.33Å; I417-L420 HydrophobicContact CG2-CB 3.9Å; I417-L420 HydrophobicContact CG2-CD1 4.44Å; I417-F464 HydrophobicContact CD1-CD2 3.87Å; I417-F464 HydrophobicContact CD1-CE2 3.89Å; I417-F464 HydrophobicContact CG1-CE2 4.06Å; I417-L471 HydrophobicContact CD1-CD1 4.28Å; I417-Y481 CarbonylContact C-O 3.51Å; I417-Y481 VanDerWaalsContact CA-O 3.32Å; I417-Y481 WeakPolarHBondContact CA-O 3.34Å
418D93.4Very high89.2Confident56 Ų5660.1 Ų60.130%0.29931%0.312SS..EExtended strand (participates in β ladder)trans-65141.4171.2-62.6-41.7000111L420 R480 Y481 Y483D418-L420 PolarHBondContact O-N 2.88Å; D418-R480 IonicContact OD1-CZ 3.97Å; D418-R480 IonicContact OD1-NE 2.97Å; D418-R480 IonicContact OD1-NH2 3.69Å; D418-R480 PolarHBondContact OD1-NH2 3.43Å; D418-R480 IonicContact OD2-NE 2.86Å; D418-R480 IonicContact OD2-NH2 2.76Å; D418-Y481 PolarHBondContact N-O 3.14Å; D418-Y483 WeakPolarHBondContact O-CB 3.39Å; D418-Y483 PolarHBondContact O-N 3.45Å
419N91Very high89.3Confident89 Ų8958.5 Ų58.548%0.47631%0.308SS..THydrogen-bonded Turntrans62.615.7177.8-55.9-11.1000115.8T421 E422N419-T421 PolarHBondContact O-N 3.13Å; N419-E422 HydrophobicContact CB-CG 4.24Å; N419-E422 WeakPolarHBondContact CB-OE1 3.44Å; N419-E422 VanDerWaalsContact O-CB 3.32Å; N419-E422 WeakPolarHBondContact O-CB 3.18Å; N419-E422 WeakPolarHBondContact O-CG 3.5Å; N419-E422 PolarHBondContact O-N 3.07Å; N419-E422 VanDerWaalsContact O-N 3.09Å
420L91.9Very high89.4Confident8 Ų857.1 Ų57.14%0.04230%0.301CS..G310 helixtrans-60.1-28176.9-179.459.7000113.3Q414 I417 D418 E422 W423 L424 L430 L471 Y483Q414-L420 HydrophobicContact CG-CD2 3.88Å; I417-L420 HydrophobicContact CB-CB 4.21Å; I417-L420 HydrophobicContact CB-CD2 4.24Å; I417-L420 HydrophobicContact CD1-CD2 4.33Å; I417-L420 HydrophobicContact CG2-CB 3.9Å; I417-L420 HydrophobicContact CG2-CD1 4.44Å; D418-L420 PolarHBondContact O-N 2.88Å; L420-E422 PolarHBondContact O-N 3.05Å; L420-E422 VanDerWaalsContact O-N 3.15Å; L420-W423 HydrophobicContact CD1-CE3 4.05Å; L420-W423 HydrophobicContact CD1-CZ3 4.49Å; L420-W423 PolarHBondContact O-N 3.31Å; L420-W423 VanDerWaalsContact O-N 3.09Å; L420-L424 HydrophobicContact CD1-CB 4.44Å; L420-L424 HydrophobicContact CD2-CD2 4.24Å; L420-L424 HydrophobicContact CG-CB 4.15Å; L420-L424 HydrophobicContact CG-CD2 4.3Å; L420-L424 WeakPolarHBondContact O-CB 3.46Å; L420-L424 PolarHBondContact O-N 3.34Å; L420-L430 HydrophobicContact CD1-CD1 4.33Å; L420-L430 HydrophobicContact CD2-CD1 3.54Å; L420-L430 HydrophobicContact CD2-CD2 4.35Å; L420-L430 HydrophobicContact CG-CD1 4.32Å; L420-L471 HydrophobicContact CD1-CD1 4.49Å; L420-L471 HydrophobicContact CD1-CD2 4.39Å; L420-Y483 HydrophobicContact CD1-CD2 4.02Å
421T86.3Confident89.3Confident110 Ų11058.8 Ų58.868%0.67531%0.31SS*.G310 helixtrans-63.4-12.5175.950.70000114.1N419 W423N419-T421 PolarHBondContact O-N 3.13Å; T421-W423 VanDerWaalsContact C-N 3.29Å
422E86.2Confident89.2Confident138 Ų13857 Ų5765%0.64531%0.309SS*.G310 helixtrans-66.3-32.1171.4-67.7177.5-171.100111.9N419 L420N419-E422 HydrophobicContact CB-CG 4.24Å; N419-E422 WeakPolarHBondContact CB-OE1 3.44Å; N419-E422 VanDerWaalsContact O-CB 3.32Å; N419-E422 WeakPolarHBondContact O-CB 3.18Å; N419-E422 WeakPolarHBondContact O-CG 3.5Å; N419-E422 PolarHBondContact O-N 3.07Å; N419-E422 VanDerWaalsContact O-N 3.09Å; L420-E422 PolarHBondContact O-N 3.05Å; L420-E422 VanDerWaalsContact O-N 3.15Å
423W89.6Confident89.1Confident58 Ų5857.5 Ų57.522%0.2231%0.309CS..THydrogen-bonded Turntrans-108.8-40.9179.316980.8000112.8L420 T421 P425 Y433 V469 L471 Y483 A486 I488L420-W423 HydrophobicContact CD1-CE3 4.05Å; L420-W423 HydrophobicContact CD1-CZ3 4.49Å; L420-W423 PolarHBondContact O-N 3.31Å; L420-W423 VanDerWaalsContact O-N 3.09Å; T421-W423 VanDerWaalsContact C-N 3.29Å; W423-P425 VanDerWaalsContact O-CD 3.24Å; W423-P425 WeakPolarHBondContact O-CD 3.2Å; W423-Y433 HydrophobicContact CH2-CD1 4.01Å; W423-Y433 HydrophobicContact CH2-CD2 4.31Å; W423-Y433 AromaticContact CH2-CE1 3.57Å; W423-Y433 HydrophobicContact CH2-CE1 3.57Å; W423-Y433 AromaticContact CH2-CE2 3.93Å; W423-Y433 HydrophobicContact CH2-CE2 3.93Å; W423-Y433 HydrophobicContact CH2-CG 4.35Å; W423-Y433 AromaticContact CH2-CZ 3.52Å; W423-Y433 HydrophobicContact CZ2-CD1 4.5Å; W423-Y433 AromaticContact CZ2-CE1 3.82Å; W423-Y433 HydrophobicContact CZ2-CE1 3.82Å; W423-Y433 AromaticContact CZ2-CZ 3.98Å; W423-Y433 HydrophobicContact CZ3-CE2 4.34Å; W423-V469 HydrophobicContact CH2-CB 4.31Å; W423-V469 HydrophobicContact CH2-CG1 4.2Å; W423-V469 HydrophobicContact CH2-CG2 3.7Å; W423-V469 HydrophobicContact CZ2-CG2 3.74Å; W423-L471 HydrophobicContact CE3-CD2 3.9Å; W423-L471 HydrophobicContact CH2-CD2 3.94Å; W423-L471 HydrophobicContact CZ3-CD2 3.53Å; W423-Y483 HydrophobicContact CB-CE1 3.78Å; W423-Y483 HydrophobicContact CB-CE2 3.96Å; W423-Y483 WeakPolarHBondContact CB-OH 3.34Å; W423-Y483 HydrophobicContact CG-CE2 4.28Å; W423-Y483 AromaticContact CG-CZ 3.88Å; W423-A486 HydrophobicContact CD2-CB 3.59Å; W423-A486 HydrophobicContact CE3-CB 4.18Å; W423-A486 HydrophobicContact CG-CB 3.96Å; W423-A486 HydrophobicContact CH2-CB 4.27Å; W423-A486 HydrophobicContact CZ2-CB 3.66Å; W423-A486 HydrophobicContact CZ3-CB 4.5Å; W423-I488 HydrophobicContact CZ2-CD1 3.76Å
424L88Confident88.8Confident11 Ų1157.5 Ų57.56%0.05831%0.309CS..SBendtrans-82.3114.8-177.4-174.369.3000110.7L420 T428 L430 Y433L420-L424 HydrophobicContact CD1-CB 4.44Å; L420-L424 HydrophobicContact CD2-CD2 4.24Å; L420-L424 HydrophobicContact CG-CB 4.15Å; L420-L424 HydrophobicContact CG-CD2 4.3Å; L420-L424 WeakPolarHBondContact O-CB 3.46Å; L420-L424 PolarHBondContact O-N 3.34Å; L424-T428 WeakPolarHBondContact CD1-OG1 3.49Å; L424-L430 HydrophobicContact CD1-CD1 4.31Å; L424-L430 HydrophobicContact CD2-CD1 3.6Å; L424-Y433 HydrophobicContact CD1-CD2 4.29Å; L424-Y433 HydrophobicContact CD1-CE2 3.42Å; L424-Y433 VanDerWaalsContact CD1-CE2 3.42Å
425P81.8Confident88.5Confident64 Ų6457.1 Ų57.142%0.41631%0.305SS..  trans-57.7142.4175.2-23.833.1000112W423 S427 T428W423-P425 VanDerWaalsContact O-CD 3.24Å; W423-P425 WeakPolarHBondContact O-CD 3.2Å; P425-S427 PolarHBondContact O-N 3.15Å; P425-T428 VanDerWaalsContact CD-OG1 3.27Å; P425-T428 WeakPolarHBondContact CD-OG1 3.2Å; P425-T428 PolarHBondContact O-N 3.15Å; P425-T428 VanDerWaalsContact O-O 3.08Å; P425-T428 PolarHBondContact O-OG1 3.45Å
426K76.6Confident88.4Confident203 Ų20355.3 Ų55.388%0.88329%0.291SS*.THydrogen-bonded Turntrans-57-23.8178.7-68.1-173.5178.1-176.40114.4T428K426-T428 VanDerWaalsContact C-N 3.29Å
427S76.3Confident87.9Confident86 Ų8656.9 Ų56.960%0.60130%0.299SS*.THydrogen-bonded Turntrans-83.7-3.3178.653.80000113.8P425P425-S427 PolarHBondContact O-N 3.15Å
428T83.1Confident87.3Confident43 Ų4357.7 Ų57.726%0.26430%0.302SS..  trans-124.4156.9-178.6560000110.3L424 P425 K426 D432L424-T428 WeakPolarHBondContact CD1-OG1 3.49Å; P425-T428 VanDerWaalsContact CD-OG1 3.27Å; P425-T428 WeakPolarHBondContact CD-OG1 3.2Å; P425-T428 PolarHBondContact O-N 3.15Å; P425-T428 VanDerWaalsContact O-O 3.08Å; P425-T428 PolarHBondContact O-OG1 3.45Å; K426-T428 VanDerWaalsContact C-N 3.29Å; T428-D432 VanDerWaalsContact CA-OD2 3.31Å; T428-D432 WeakPolarHBondContact CA-OD2 3.47Å
429S89.7Confident87.2Confident32 Ų3255.6 Ų55.622%0.22429%0.291CS..  trans-124.2160175.2170.10000109.2Q414 I431 D432Q414-S429 PolarHBondContact OE1-OG 3.16Å; S429-I431 PolarHBondContact O-N 3.37Å; S429-D432 PolarHBondContact N-OD2 2.82Å; S429-D432 WeakPolarHBondContact O-CB 3.43Å; S429-D432 PolarHBondContact O-N 3.31Å
430L92.7Very high87Confident0 Ų051.6 Ų51.60%027%0.27CS..G310 helixtrans-53-29.6175-106.657.5000112.5I410 I413 Q414 L420 L424 D432 Y433 F466 L471I410-L430 HydrophobicContact CG2-CB 3.62Å; I413-L430 HydrophobicContact CG2-CD2 3.87Å; Q414-L430 HydrophobicContact CB-CD2 4.2Å; L420-L430 HydrophobicContact CD1-CD1 4.33Å; L420-L430 HydrophobicContact CD2-CD1 3.54Å; L420-L430 HydrophobicContact CD2-CD2 4.35Å; L420-L430 HydrophobicContact CG-CD1 4.32Å; L424-L430 HydrophobicContact CD1-CD1 4.31Å; L424-L430 HydrophobicContact CD2-CD1 3.6Å; L430-D432 PolarHBondContact O-N 3.22Å; L430-Y433 PolarHBondContact O-N 2.77Å; L430-F466 HydrophobicContact CB-CE1 4.31Å; L430-F466 HydrophobicContact CB-CZ 4.27Å; L430-F466 HydrophobicContact CD2-CE2 3.97Å; L430-F466 HydrophobicContact CD2-CZ 3.7Å; L430-F466 HydrophobicContact CG-CE2 4.33Å; L430-F466 HydrophobicContact CG-CZ 4.08Å; L430-L471 HydrophobicContact CD1-CD1 4.14Å; L430-L471 HydrophobicContact CD2-CD1 3.73Å; L430-L471 HydrophobicContact CG-CD1 3.97Å
431I91.6Very high86.7Confident37 Ų3754.2 Ų54.219%0.1928%0.284CS..G310 helixtrans-58.7-28.5177-162.6179.8000112.9Q407 I410 S429 Y433 G434 F555 F556Q407-I431 HydrophobicContact CG-CD1 3.63Å; I410-I431 HydrophobicContact CD1-CB 4.29Å; I410-I431 HydrophobicContact CD1-CG1 4Å; I410-I431 HydrophobicContact CG2-CB 4.22Å; S429-I431 PolarHBondContact O-N 3.37Å; I431-Y433 PolarHBondContact O-N 3.26Å; I431-G434 PolarHBondContact O-N 3.19Å; I431-F555 HydrophobicContact CD1-CD1 4.31Å; I431-F555 HydrophobicContact CD1-CD2 4.11Å; I431-F555 HydrophobicContact CD1-CE2 4.42Å; I431-F555 HydrophobicContact CD1-CG 4.1Å; I431-F555 HydrophobicContact CG1-CD2 3.69Å; I431-F555 HydrophobicContact CG1-CE2 3.88Å; I431-F555 HydrophobicContact CG1-CG 4.19Å; I431-F555 HydrophobicContact CG1-CZ 4.46Å; I431-F556 WeakPolarHBondContact O-CE2 3.21Å
432D89.7Confident86.7Confident79 Ų7950.1 Ų50.142%0.42226%0.258SS..G310 helixtrans-69.8-14.9179.9-61.6-46.4000112.5T428 S429 L430 F556T428-D432 VanDerWaalsContact CA-OD2 3.31Å; T428-D432 WeakPolarHBondContact CA-OD2 3.47Å; S429-D432 PolarHBondContact N-OD2 2.82Å; S429-D432 WeakPolarHBondContact O-CB 3.43Å; S429-D432 PolarHBondContact O-N 3.31Å; L430-D432 PolarHBondContact O-N 3.22Å; D432-F556 WeakPolarHBondContact O-CZ 3.48Å
433Y89.3Confident86.6Confident39 Ų3949.9 Ų49.915%0.15326%0.255CS..G310 helixtrans-97.15.1179-61.9-93.8000113.5W423 L424 L430 I431 K468 V469 I488W423-Y433 HydrophobicContact CH2-CD1 4.01Å; W423-Y433 HydrophobicContact CH2-CD2 4.31Å; W423-Y433 AromaticContact CH2-CE1 3.57Å; W423-Y433 HydrophobicContact CH2-CE1 3.57Å; W423-Y433 AromaticContact CH2-CE2 3.93Å; W423-Y433 HydrophobicContact CH2-CE2 3.93Å; W423-Y433 HydrophobicContact CH2-CG 4.35Å; W423-Y433 AromaticContact CH2-CZ 3.52Å; W423-Y433 HydrophobicContact CZ2-CD1 4.5Å; W423-Y433 AromaticContact CZ2-CE1 3.82Å; W423-Y433 HydrophobicContact CZ2-CE1 3.82Å; W423-Y433 AromaticContact CZ2-CZ 3.98Å; W423-Y433 HydrophobicContact CZ3-CE2 4.34Å; L424-Y433 HydrophobicContact CD1-CD2 4.29Å; L424-Y433 HydrophobicContact CD1-CE2 3.42Å; L424-Y433 VanDerWaalsContact CD1-CE2 3.42Å; L430-Y433 PolarHBondContact O-N 2.77Å; I431-Y433 PolarHBondContact O-N 3.26Å; Y433-K468 VanDerWaalsContact O-CB 3.25Å; Y433-K468 WeakPolarHBondContact O-CB 3.49Å; Y433-K468 WeakPolarHBondContact O-CG 3.48Å; Y433-K468 PolarHBondContact O-N 3.06Å; Y433-V469 HydrophobicContact CD1-CB 3.96Å; Y433-V469 HydrophobicContact CD1-CG1 3.93Å; Y433-V469 HydrophobicContact CG-CB 4.38Å; Y433-V469 HydrophobicContact CG-CG1 3.84Å; Y433-I488 HydrophobicContact CD1-CD1 4.33Å; Y433-I488 HydrophobicContact CE1-CD1 3.89Å
434G88.5Confident86.2Confident0 Ų048.4 Ų48.40%025%0.253CS..  trans114.5-167.7172.800000114.9I431 F466 D467 F556I431-G434 PolarHBondContact O-N 3.19Å; G434-F466 WeakPolarHBondContact O-CD1 3.32Å; G434-D467 WeakPolarHBondContact CA-OD2 3.33Å; G434-F556 VanDerWaalsContact CA-CE2 3.44Å
435R89.6Confident85.9Confident52 Ų5250 Ų5020%0.19626%0.263CS..  trans-79.9144.9171.9-69.9-177.1168.774.15.7110.7D403 F466 D467 F555 F556D403-R435 VanDerWaalsContact CG-NH2 3.35Å; D403-R435 IonicContact OD1-CZ 2.91Å; D403-R435 IonicContact OD1-NE 3.98Å; D403-R435 IonicContact OD1-NH2 2.78Å; D403-R435 PolarHBondContact OD1-NH2 2.86Å; D403-R435 IonicContact OD2-NH2 3.68Å; D403-R435 PolarHBondContact OD2-NH2 3.2Å; R435-F466 CarbonylContact O-C 3.52Å; R435-F466 VanDerWaalsContact O-CA 3.24Å; R435-F466 WeakPolarHBondContact O-CA 3.45Å; R435-D467 PolarHBondContact N-OD2 2.83Å; R435-D467 PolarHBondContact O-N 2.73Å; R435-D467 VanDerWaalsContact O-N 3.15Å; R435-F555 HydrophobicContact CG-CE2 3.73Å; R435-F555 HydrophobicContact CG-CZ 4.01Å; R435-F555 PolarHBondContact NH1-O 3.1Å; R435-F555 PolarHBondContact NH2-O 3.25Å; R435-F556 VanDerWaalsContact NH1-CB 3.28Å; R435-F556 PolarHBondContact NH1-O 2.94Å
436P89.7Confident85.3Confident40 Ų4052.1 Ų52.126%0.2627%0.27SS..EExtended strand (participates in β ladder)trans-65.7133.1168.928.7-33.4000109.6T406 I410 A465 F466T406-P436 HydrophobicContact CG2-CG 3.93Å; I410-P436 HydrophobicContact CG1-CG 4.2Å; P436-A465 CarbonylContact C-O 3.42Å; P436-A465 WeakPolarHBondContact CA-O 3.32Å; P436-F466 HydrophobicContact CB-CD1 4.45Å; P436-F466 HydrophobicContact CB-CE1 4.14Å; P436-F466 HydrophobicContact CB-CZ 4.39Å
437L85.2Confident85Confident40 Ų4050.5 Ų50.521%0.20926%0.263CS..EExtended strand (participates in β ladder)trans-104.3-52.6-175.9-60.1178.7000112.2A465L437-A465 HydrophobicContact CB-CB 4.18Å; L437-A465 PolarHBondContact N-O 3.04Å
438K84.1Confident84Confident27 Ų2750.4 Ų50.412%0.11727%0.267CS..EExtended strand (participates in β ladder)trans-158.8151.5-179.8-161.9158.9179.8160.40108.5E165 A465 E511 M512 F516E165-K438 IonicContact OE1-NZ 2.76Å; E165-K438 PolarHBondContact OE1-NZ 2.95Å; K438-A465 WeakPolarHBondContact O-CB 3.32Å; K438-A465 PolarHBondContact O-N 3.5Å; K438-E511 IonicContact NZ-OE2 3.31Å; K438-E511 PolarHBondContact NZ-OE2 3.44Å; K438-M512 HydrophobicContact CD-CE 4.47Å; K438-M512 HydrophobicContact CD-CG 4.06Å; K438-M512 HydrophobicContact CG-CE 3.95Å; K438-M512 HydrophobicContact CG-CG 4.31Å; K438-F516 HydrophobicContact CB-CE2 4.06Å; K438-F516 HydrophobicContact CB-CZ 4.18Å
439D89.8Confident82.2Confident12 Ų1256.4 Ų56.46%0.06429%0.293CS..EExtended strand (participates in β ladder)trans-141.9154172.270.3-99.2000111.1S71 Q72 F73 Y462 V463 F464S71-D439 WeakPolarHBondContact CA-OD1 3.48Å; S71-D439 WeakPolarHBondContact CB-OD1 3.37Å; S71-D439 PolarHBondContact OG-OD1 3.3Å; Q72-D439 PolarHBondContact N-OD2 3.24Å; F73-D439 WeakPolarHBondContact CB-OD2 3.31Å; F73-D439 PolarHBondContact N-OD2 3.38Å; D439-Y462 HydrophobicContact CB-CE1 3.95Å; D439-Y462 PolarHBondContact OD2-OH 3.29Å; D439-V463 WeakPolarHBondContact CA-O 3.34Å; D439-V463 VanDerWaalsContact CB-O 3.24Å; D439-V463 WeakPolarHBondContact CB-O 3.27Å; D439-F464 HydrophobicContact CB-CD1 3.6Å; D439-F464 HydrophobicContact CB-CE1 4.08Å; D439-F464 HydrophobicContact CB-CG 4.32Å
440G87.9Confident80Confident4 Ų467.4 Ų67.44%0.04133%0.329CS..EExtended strand (participates in β ladder)trans162.4179.3-179.600000115.2Y462 V463G440-Y462 WeakPolarHBondContact O-CA 3.4Å; G440-V463 PolarHBondContact N-O 3.21Å; G440-V463 VanDerWaalsContact N-O 3.11Å; G440-V463 PolarHBondContact O-N 3.08Å
441D86.3Confident77.7Confident63 Ų6377.4 Ų77.434%0.33737%0.367SS..EExtended strand (participates in β ladder)trans-76.6133.4179-65-80.2000112.5Q72 R105 R461Q72-D441 PolarHBondContact NE2-OD2 3.47Å; Q72-D441 PolarHBondContact OE1-OD2 3.44Å; R105-D441 IonicContact CZ-OD2 3.83Å; R105-D441 VanDerWaalsContact NH2-CG 3.31Å; R105-D441 IonicContact NH2-OD1 2.73Å; R105-D441 IonicContact NH2-OD2 3.69Å; R105-D441 PolarHBondContact NH2-OD2 2.89Å; D441-R461 CarbonylContact C-O 3.56Å; D441-R461 WeakPolarHBondContact CA-O 3.43Å
442I85.2Confident75.6Confident25 Ų2580.9 Ų80.913%0.12839%0.394CS..EExtended strand (participates in β ladder)trans-136.3160.4174.964.9164.1000112.1V444 R461 V463 I509 M512I442-V444 HydrophobicContact CD1-CG2 3.35Å; I442-V444 HydrophobicContact CG1-CG2 3.78Å; I442-R461 HydrophobicContact CG1-CB 4.17Å; I442-R461 PolarHBondContact N-O 3.17Å; I442-R461 PolarHBondContact O-N 2.87Å; I442-R461 VanDerWaalsContact O-O 3.06Å; I442-V463 HydrophobicContact CD1-CB 4.31Å; I442-V463 HydrophobicContact CD1-CG1 3.29Å; I442-V463 HydrophobicContact CD1-CG2 4.04Å; I442-V463 HydrophobicContact CG1-CG1 3.8Å; I442-V463 HydrophobicContact CG1-CG2 4.18Å; I442-V463 HydrophobicContact CG2-CG2 3.92Å; I442-I509 HydrophobicContact CG2-CG1 4.33Å; I442-M512 HydrophobicContact CG2-SD 3.8Å
443K83.7Confident73.7Confident132 Ų13284.1 Ų84.157%0.57441%0.412SS*.EExtended strand (participates in β ladder)trans-105.2115.3169.3-68.2-174.6179.9175.30109.4N460K443-N460 WeakPolarHBondContact CG-OD1 3.48Å
444V81.1Confident72Confident28 Ų2888 Ų8817%0.1744%0.439CS..EExtended strand (participates in β ladder)trans-104.7135.7-177.7-176.50000110.4I442 L446 K459 R461I442-V444 HydrophobicContact CD1-CG2 3.35Å; I442-V444 HydrophobicContact CG1-CG2 3.78Å; V444-L446 HydrophobicContact CG1-CD2 4.14Å; V444-L446 HydrophobicContact CG1-CG 4.33Å; V444-K459 PolarHBondContact N-O 3.38Å; V444-K459 PolarHBondContact O-N 3.01Å; V444-R461 HydrophobicContact CB-CG 4.33Å; V444-R461 HydrophobicContact CG2-CB 4.04Å; V444-R461 HydrophobicContact CG2-CG 4Å
445T81.3Confident70.2Confident43 Ų4396.7 Ų96.726%0.26448%0.48SS..  trans-116.2119.4165.6-53.10000107.7K456T445-K456 HydrophobicContact CG2-CB 4Å; T445-K456 HydrophobicContact CG2-CG 4.44Å
446L70.3Confident68.9Low109 Ų109100.8 Ų100.857%0.57150%0.499SS*.  trans-89.6124.2174.4-65.7172.3000108.7V444 A448V444-L446 HydrophobicContact CG1-CD2 4.14Å; V444-L446 HydrophobicContact CG1-CG 4.33Å; L446-A448 PolarHBondContact O-N 3.02Å; L446-A448 VanDerWaalsContact O-N 3.08Å
447F69.4Low67.9Low170 Ų170107.2 Ų107.275%0.74652%0.523SS*.  trans-8468.2172.8-64.6-87.2000109.5
448A56.5Low67.7Low83 Ų83110.4 Ų110.469%0.68654%0.537SS*.  trans-86.9114.817400000109.8L446L446-A448 PolarHBondContact O-N 3.02Å; L446-A448 VanDerWaalsContact O-N 3.08Å
449E44Very low67.8Low170 Ų170113.9 Ų113.979%0.79455%0.552SS**SBendtrans53125.3165.6-64.2179.2176.800117.7R451E449-R451 PolarHBondContact O-N 3.15Å
450R43.7Very low67.7Low262 Ų262118.6 Ų118.699%0.98958%0.577SS**  trans-52.254.8179.8-59.2175.3-170.4173.53116.4
451R45.1Very low67.9Low211 Ų211120.5 Ų120.580%0.79658%0.583SS**  trans-96.1110.4165.4-74.5-172.4177.3-173.20.9108E449 D453E449-R451 PolarHBondContact O-N 3.15Å; R451-D453 PolarHBondContact O-N 3.33Å
452S47.5Very low68.2Low109 Ų109117.6 Ų117.676%0.76257%0.567SS**THydrogen-bonded Turntrans-64.8-3.8-164.847.60000117.1
453D50.3Low68.6Low147 Ų147116.5 Ų116.579%0.78656%0.562SS**THydrogen-bonded Turntrans-142.927-165.1-66.8-68.8000115.7R451R451-D453 PolarHBondContact O-N 3.33Å
454V52.2Low69Low120 Ų120110.3 Ų110.373%0.72754%0.535SS*.SBendtrans-106.6115.7170.7-173.20000109.4K456V454-K456 PolarHBondContact O-N 3.15Å; V454-K456 VanDerWaalsContact O-N 3.16Å
455E52.3Low69.3Low184 Ų184109 Ų10986%0.8653%0.527SS*.  trans-41.4122.4172.7-80.2-177151.700110.7K457E455-K457 VanDerWaalsContact C-N 3.27Å; E455-K457 PolarHBondContact O-N 3.11Å
456K61.1Low69.7Low137 Ų137107 Ų10760%0.59651%0.514SS*.  trans-63.683.8178.8-66.8176.7-177.5173.80109.8T445 V454 Q458T445-K456 HydrophobicContact CG2-CB 4Å; T445-K456 HydrophobicContact CG2-CG 4.44Å; V454-K456 PolarHBondContact O-N 3.15Å; V454-K456 VanDerWaalsContact O-N 3.16Å; K456-Q458 PolarHBondContact O-N 3.27Å
457K70.1Confident70.5Confident176 Ų176102.2 Ų102.277%0.76549%0.49SS*.  trans-72.2104.9-179.5-168.8170.7-175170.20110E455 K459E455-K457 VanDerWaalsContact C-N 3.27Å; E455-K457 PolarHBondContact O-N 3.11Å; K457-K459 PolarHBondContact O-N 3.03Å
458Q79.7Confident71.2Confident106 Ų10695.5 Ų95.550%0.49546%0.46SS..  trans-59.5134170.1-66.2-174.7-25.300109.9K456K456-Q458 PolarHBondContact O-N 3.27Å
459K86.6Confident72.8Confident101 Ų10191.6 Ų91.644%0.43943%0.428SS..EExtended strand (participates in β ladder)trans-112.4127177.1-63.5-177.9-174.1170.50109.3V444 K457 R461V444-K459 PolarHBondContact N-O 3.38Å; V444-K459 PolarHBondContact O-N 3.01Å; K457-K459 PolarHBondContact O-N 3.03Å; K459-R461 PolarHBondContact O-N 3.2Å
460N88.6Confident75Confident110 Ų11084.7 Ų84.759%0.58840%0.396SS*.EExtended strand (participates in β ladder)trans-68.8128.9170.1-62.3-13.1000109.1K443K443-N460 WeakPolarHBondContact CG-OD1 3.48Å
461R91.8Very high77.3Confident45 Ų4572.2 Ų72.217%0.1735%0.349CS..EExtended strand (participates in β ladder)trans-137.6161.5-179.3-69.9-65.3-179.1-94.46109.4D441 I442 V444 K459 I472 C473D441-R461 CarbonylContact C-O 3.56Å; D441-R461 WeakPolarHBondContact CA-O 3.43Å; I442-R461 HydrophobicContact CG1-CB 4.17Å; I442-R461 PolarHBondContact N-O 3.17Å; I442-R461 PolarHBondContact O-N 2.87Å; I442-R461 VanDerWaalsContact O-O 3.06Å; V444-R461 HydrophobicContact CB-CG 4.33Å; V444-R461 HydrophobicContact CG2-CB 4.04Å; V444-R461 HydrophobicContact CG2-CG 4Å; K459-R461 PolarHBondContact O-N 3.2Å; R461-I472 HydrophobicContact CB-CG2 4Å; R461-I472 HydrophobicContact CG-CG2 3.78Å; R461-C473 WeakPolarHBondContact CA-O 3.48Å; R461-C473 WeakPolarHBondContact CD-O 3.42Å
462Y92.4Very high79.6Confident2 Ų262.7 Ų62.71%0.00831%0.314CS..EExtended strand (participates in β ladder)trans-112.2141.7166.7-160.8-88.4000107.9Q72 F73 D439 G440 F464 C473 Y481Q72-Y462 VanDerWaalsContact CB-OH 3.31Å; Q72-Y462 WeakPolarHBondContact CB-OH 3.44Å; Q72-Y462 HydrophobicContact CG-CE2 4.31Å; Q72-Y462 WeakPolarHBondContact CG-OH 3.15Å; F73-Y462 PolarHBondContact N-OH 3.23Å; D439-Y462 HydrophobicContact CB-CE1 3.95Å; D439-Y462 PolarHBondContact OD2-OH 3.29Å; G440-Y462 WeakPolarHBondContact O-CA 3.4Å; Y462-F464 HydrophobicContact CD1-CD2 4.15Å; Y462-F464 HydrophobicContact CD1-CE1 4.35Å; Y462-F464 AromaticContact CD1-CE2 3.7Å; Y462-F464 HydrophobicContact CD1-CE2 3.7Å; Y462-F464 AromaticContact CD1-CZ 3.82Å; Y462-F464 HydrophobicContact CD1-CZ 3.82Å; Y462-F464 HydrophobicContact CE1-CD1 4.25Å; Y462-F464 HydrophobicContact CE1-CD2 4.43Å; Y462-F464 AromaticContact CE1-CE1 3.74Å; Y462-F464 HydrophobicContact CE1-CE1 3.74Å; Y462-F464 AromaticContact CE1-CE2 3.93Å; Y462-F464 HydrophobicContact CE1-CE2 3.93Å; Y462-F464 AromaticContact CE1-CZ 3.56Å; Y462-F464 HydrophobicContact CE1-CZ 3.56Å; Y462-C473 PolarHBondContact N-O 3.49Å; Y462-C473 PolarHBondContact O-N 2.97Å; Y462-Y481 AromaticContact CD1-CD1 3.85Å; Y462-Y481 HydrophobicContact CD1-CD1 3.85Å; Y462-Y481 AromaticContact CD1-CE1 3.39Å; Y462-Y481 HydrophobicContact CD1-CE1 3.39Å; Y462-Y481 HydrophobicContact CD2-CD1 4.42Å; Y462-Y481 AromaticContact CD2-CE1 3.59Å; Y462-Y481 HydrophobicContact CD2-CE1 3.59Å; Y462-Y481 AromaticContact CE1-CE1 3.69Å; Y462-Y481 HydrophobicContact CE1-CE1 3.69Å; Y462-Y481 AromaticContact CE1-CZ 3.85Å; Y462-Y481 AromaticContact CE2-CE1 3.84Å; Y462-Y481 HydrophobicContact CE2-CE1 3.84Å; Y462-Y481 AromaticContact CG-CD1 3.79Å; Y462-Y481 HydrophobicContact CG-CD1 3.79Å; Y462-Y481 AromaticContact CG-CE1 3.32Å; Y462-Y481 HydrophobicContact CG-CE1 3.32Å; Y462-Y481 AromaticContact CZ-CE1 3.89Å; Y462-Y481 AromaticContact CZ-CZ 3.93Å; Y462-Y481 PolarHBondContact OH-OH 3.18Å
463V92.1Very high81.8Confident1 Ų157.5 Ų57.51%0.00628%0.277CS..EExtended strand (participates in β ladder)trans-122.2144.9177.1-70.80000112.4D439 G440 I442 L470 L471 I472 M512D439-V463 WeakPolarHBondContact CA-O 3.34Å; D439-V463 VanDerWaalsContact CB-O 3.24Å; D439-V463 WeakPolarHBondContact CB-O 3.27Å; G440-V463 PolarHBondContact N-O 3.21Å; G440-V463 VanDerWaalsContact N-O 3.11Å; G440-V463 PolarHBondContact O-N 3.08Å; I442-V463 HydrophobicContact CD1-CB 4.31Å; I442-V463 HydrophobicContact CD1-CG1 3.29Å; I442-V463 HydrophobicContact CD1-CG2 4.04Å; I442-V463 HydrophobicContact CG1-CG1 3.8Å; I442-V463 HydrophobicContact CG1-CG2 4.18Å; I442-V463 HydrophobicContact CG2-CG2 3.92Å; V463-L470 HydrophobicContact CB-CD1 3.73Å; V463-L470 HydrophobicContact CG1-CD1 3.94Å; V463-L470 HydrophobicContact CG1-CD2 4.5Å; V463-L470 HydrophobicContact CG1-CG 4.29Å; V463-L470 HydrophobicContact CG2-CD1 4.25Å; V463-L471 CarbonylContact C-O 3.52Å; V463-L471 WeakPolarHBondContact CA-O 3.29Å; V463-I472 HydrophobicContact CG1-CG1 4.11Å; V463-M512 HydrophobicContact CG2-CE 4.05Å; V463-M512 HydrophobicContact CG2-SD 4Å
464F92.2Very high83.9Confident2 Ų255.8 Ų55.81%0.00926%0.263CS..EExtended strand (participates in β ladder)trans-116.6120.7165.1-61.5-87.9000108.8F73 I413 I417 D439 Y462 F466 L471 Y481F73-F464 HydrophobicContact CB-CE1 3.99Å; F73-F464 HydrophobicContact CD2-CE1 4.3Å; F73-F464 HydrophobicContact CD2-CZ 4.36Å; F73-F464 HydrophobicContact CG-CE1 4.14Å; I413-F464 HydrophobicContact CD1-CD1 4.06Å; I413-F464 HydrophobicContact CD1-CE1 4.32Å; I413-F464 HydrophobicContact CG1-CD1 4.19Å; I413-F464 HydrophobicContact CG1-CE1 4.01Å; I413-F464 HydrophobicContact CG2-CD1 3.71Å; I413-F464 HydrophobicContact CG2-CD2 4.38Å; I413-F464 HydrophobicContact CG2-CE1 3.84Å; I413-F464 HydrophobicContact CG2-CE2 4.49Å; I413-F464 HydrophobicContact CG2-CG 3.99Å; I413-F464 HydrophobicContact CG2-CZ 4.23Å; I417-F464 HydrophobicContact CD1-CD2 3.87Å; I417-F464 HydrophobicContact CD1-CE2 3.89Å; I417-F464 HydrophobicContact CG1-CE2 4.06Å; D439-F464 HydrophobicContact CB-CD1 3.6Å; D439-F464 HydrophobicContact CB-CE1 4.08Å; D439-F464 HydrophobicContact CB-CG 4.32Å; Y462-F464 HydrophobicContact CD1-CD2 4.15Å; Y462-F464 HydrophobicContact CD1-CE1 4.35Å; Y462-F464 AromaticContact CD1-CE2 3.7Å; Y462-F464 HydrophobicContact CD1-CE2 3.7Å; Y462-F464 AromaticContact CD1-CZ 3.82Å; Y462-F464 HydrophobicContact CD1-CZ 3.82Å; Y462-F464 HydrophobicContact CE1-CD1 4.25Å; Y462-F464 HydrophobicContact CE1-CD2 4.43Å; Y462-F464 AromaticContact CE1-CE1 3.74Å; Y462-F464 HydrophobicContact CE1-CE1 3.74Å; Y462-F464 AromaticContact CE1-CE2 3.93Å; Y462-F464 HydrophobicContact CE1-CE2 3.93Å; Y462-F464 AromaticContact CE1-CZ 3.56Å; Y462-F464 HydrophobicContact CE1-CZ 3.56Å; F464-F466 HydrophobicContact CB-CD2 4.49Å; F464-F466 HydrophobicContact CB-CE2 3.9Å; F464-L471 HydrophobicContact CB-CB 4.23Å; F464-L471 PolarHBondContact N-O 3.36Å; F464-L471 PolarHBondContact O-N 3.49Å; F464-Y481 HydrophobicContact CE2-CD1 4.2Å; F464-Y481 AromaticContact CE2-CD2 3.97Å; F464-Y481 HydrophobicContact CE2-CD2 3.97Å; F464-Y481 HydrophobicContact CE2-CE1 4.45Å; F464-Y481 HydrophobicContact CE2-CE2 4.27Å; F464-Y481 AromaticContact CE2-CG 3.94Å; F464-Y481 HydrophobicContact CE2-CG 3.94Å; F464-Y481 HydrophobicContact CZ-CD1 4.38Å; F464-Y481 AromaticContact CZ-CD2 3.74Å; F464-Y481 HydrophobicContact CZ-CD2 3.74Å; F464-Y481 HydrophobicContact CZ-CE1 4.25Å; F464-Y481 AromaticContact CZ-CE2 3.62Å; F464-Y481 HydrophobicContact CZ-CE2 3.62Å; F464-Y481 HydrophobicContact CZ-CG 4.13Å; F464-Y481 AromaticContact CZ-CZ 3.85Å
465A88.7Confident85.8Confident1 Ų152.7 Ų52.71%0.00825%0.246CC..EExtended strand (participates in β ladder)trans-99132.1-179.600000111.3P436 L437 K438 F516P436-A465 CarbonylContact C-O 3.42Å; P436-A465 WeakPolarHBondContact CA-O 3.32Å; L437-A465 HydrophobicContact CB-CB 4.18Å; L437-A465 PolarHBondContact N-O 3.04Å; K438-A465 WeakPolarHBondContact O-CB 3.32Å; K438-A465 PolarHBondContact O-N 3.5Å; A465-F516 HydrophobicContact CB-CD1 3.66Å; A465-F516 HydrophobicContact CB-CD2 4.04Å; A465-F516 HydrophobicContact CB-CE1 3Å; A465-F516 HydrophobicContact CB-CE2 3.48Å; A465-F516 VanDerWaalsContact CB-CE2 3.48Å; A465-F516 HydrophobicContact CB-CG 4.2Å; A465-F516 HydrophobicContact CB-CZ 2.96Å
466F90.3Very high87.7Confident0 Ų047 Ų470%022%0.223CC..EExtended strand (participates in β ladder)trans-125166171.7-69.2-102.2000109.4I410 I413 L430 G434 R435 P436 F464 K468 V469 L471 L489I410-F466 HydrophobicContact CD1-CE1 4.41Å; I410-F466 HydrophobicContact CG1-CE1 4.05Å; I410-F466 HydrophobicContact CG2-CE1 4.25Å; I413-F466 HydrophobicContact CD1-CZ 4.4Å; I413-F466 HydrophobicContact CG2-CZ 4.45Å; L430-F466 HydrophobicContact CB-CE1 4.31Å; L430-F466 HydrophobicContact CB-CZ 4.27Å; L430-F466 HydrophobicContact CD2-CE2 3.97Å; L430-F466 HydrophobicContact CD2-CZ 3.7Å; L430-F466 HydrophobicContact CG-CE2 4.33Å; L430-F466 HydrophobicContact CG-CZ 4.08Å; G434-F466 WeakPolarHBondContact O-CD1 3.32Å; R435-F466 CarbonylContact O-C 3.52Å; R435-F466 VanDerWaalsContact O-CA 3.24Å; R435-F466 WeakPolarHBondContact O-CA 3.45Å; P436-F466 HydrophobicContact CB-CD1 4.45Å; P436-F466 HydrophobicContact CB-CE1 4.14Å; P436-F466 HydrophobicContact CB-CZ 4.39Å; F464-F466 HydrophobicContact CB-CD2 4.49Å; F464-F466 HydrophobicContact CB-CE2 3.9Å; F466-K468 PolarHBondContact O-N 3.33Å; F466-V469 HydrophobicContact CB-CG1 3.94Å; F466-V469 HydrophobicContact CD2-CG1 4.25Å; F466-V469 HydrophobicContact CG-CG1 4.34Å; F466-V469 PolarHBondContact N-O 2.88Å; F466-V469 PolarHBondContact O-N 3.47Å; F466-L471 HydrophobicContact CD2-CD1 4.45Å; F466-L471 HydrophobicContact CE2-CD1 4.08Å; F466-L489 WeakPolarHBondContact O-CD1 3.19Å
467D86.2Confident88.8Confident10 Ų1049.9 Ų49.95%0.05324%0.236CC..SBendtrans-51.4-33.6179.5-67-53.9000113.9G434 R435 N520 V521 Y535G434-D467 WeakPolarHBondContact CA-OD2 3.33Å; R435-D467 PolarHBondContact N-OD2 2.83Å; R435-D467 PolarHBondContact O-N 2.73Å; R435-D467 VanDerWaalsContact O-N 3.15Å; D467-N520 PolarHBondContact OD1-ND2 2.91Å; D467-V521 HydrophobicContact CB-CG2 4.41Å; D467-V521 VanDerWaalsContact O-CG2 3.27Å; D467-V521 WeakPolarHBondContact O-CG2 3.46Å; D467-Y535 HydrophobicContact CB-CE1 4.01Å; D467-Y535 WeakPolarHBondContact OD2-CE1 3.45Å; D467-Y535 PolarHBondContact OD2-OH 3.46Å; D467-Y535 VanDerWaalsContact OD2-OH 3.1Å
468K85Confident89.4Confident29 Ų2944.9 Ų44.913%0.12624%0.235CC..SBendtrans-115.3-11-175-55.9-178.5-179.5-1780114.9Y433 F466 L489 V521Y433-K468 VanDerWaalsContact O-CB 3.25Å; Y433-K468 WeakPolarHBondContact O-CB 3.49Å; Y433-K468 WeakPolarHBondContact O-CG 3.48Å; Y433-K468 PolarHBondContact O-N 3.06Å; F466-K468 PolarHBondContact O-N 3.33Å; K468-L489 PolarHBondContact O-N 2.97Å; K468-V521 HydrophobicContact CG-CG2 3.86Å
469V89.1Confident89.7Confident0 Ų041.9 Ų41.90%022%0.222CC..EExtended strand (participates in β ladder)trans-144.9141.8-176.270.60000113W423 Y433 F466 L471 A486 L487 I488W423-V469 HydrophobicContact CH2-CB 4.31Å; W423-V469 HydrophobicContact CH2-CG1 4.2Å; W423-V469 HydrophobicContact CH2-CG2 3.7Å; W423-V469 HydrophobicContact CZ2-CG2 3.74Å; Y433-V469 HydrophobicContact CD1-CB 3.96Å; Y433-V469 HydrophobicContact CD1-CG1 3.93Å; Y433-V469 HydrophobicContact CG-CB 4.38Å; Y433-V469 HydrophobicContact CG-CG1 3.84Å; F466-V469 HydrophobicContact CB-CG1 3.94Å; F466-V469 HydrophobicContact CD2-CG1 4.25Å; F466-V469 HydrophobicContact CG-CG1 4.34Å; F466-V469 PolarHBondContact N-O 2.88Å; F466-V469 PolarHBondContact O-N 3.47Å; V469-L471 HydrophobicContact CG1-CD2 4.45Å; V469-L471 HydrophobicContact CG1-CG 4.31Å; V469-L471 HydrophobicContact CG2-CD2 4.09Å; V469-A486 HydrophobicContact CG2-CB 4.07Å; V469-L487 CarbonylContact C-O 3.51Å; V469-L487 WeakPolarHBondContact CA-O 3.47Å; V469-L487 WeakPolarHBondContact CG2-O 3.43Å; V469-I488 HydrophobicContact CB-CD1 4.44Å; V469-I488 HydrophobicContact CG2-CD1 4.16Å
470L89.6Confident90Very high25 Ų2541.8 Ų41.813%0.13122%0.219CC..EExtended strand (participates in β ladder)trans-101.7111.3162.717776.4000109.6V463 I472 A486 L487 L489 F516V463-L470 HydrophobicContact CB-CD1 3.73Å; V463-L470 HydrophobicContact CG1-CD1 3.94Å; V463-L470 HydrophobicContact CG1-CD2 4.5Å; V463-L470 HydrophobicContact CG1-CG 4.29Å; V463-L470 HydrophobicContact CG2-CD1 4.25Å; L470-I472 HydrophobicContact CD2-CD1 4.43Å; L470-I472 HydrophobicContact CD2-CG1 4.27Å; L470-I472 HydrophobicContact CG-CG1 4.34Å; L470-A486 CarbonylContact O-C 3.47Å; L470-A486 WeakPolarHBondContact O-CA 3.49Å; L470-L487 HydrophobicContact CB-CB 4.2Å; L470-L487 HydrophobicContact CD2-CD1 3.8Å; L470-L487 HydrophobicContact CD2-CG 4.28Å; L470-L487 PolarHBondContact N-O 3.22Å; L470-L487 PolarHBondContact O-N 3.23Å; L470-L489 HydrophobicContact CB-CD2 3.99Å; L470-F516 HydrophobicContact CD1-CD1 3.61Å; L470-F516 HydrophobicContact CD1-CE1 3.34Å
471L93Very high90.4Very high0 Ų036.9 Ų36.90%019%0.192CC..EExtended strand (participates in β ladder)trans-86.1126.9173.1-62.6175.5000110I417 L420 W423 L430 V463 F464 F466 V469 A486I417-L471 HydrophobicContact CD1-CD1 4.28Å; L420-L471 HydrophobicContact CD1-CD1 4.49Å; L420-L471 HydrophobicContact CD1-CD2 4.39Å; W423-L471 HydrophobicContact CE3-CD2 3.9Å; W423-L471 HydrophobicContact CH2-CD2 3.94Å; W423-L471 HydrophobicContact CZ3-CD2 3.53Å; L430-L471 HydrophobicContact CD1-CD1 4.14Å; L430-L471 HydrophobicContact CD2-CD1 3.73Å; L430-L471 HydrophobicContact CG-CD1 3.97Å; V463-L471 CarbonylContact C-O 3.52Å; V463-L471 WeakPolarHBondContact CA-O 3.29Å; F464-L471 HydrophobicContact CB-CB 4.23Å; F464-L471 PolarHBondContact N-O 3.36Å; F464-L471 PolarHBondContact O-N 3.49Å; F466-L471 HydrophobicContact CD2-CD1 4.45Å; F466-L471 HydrophobicContact CE2-CD1 4.08Å; V469-L471 HydrophobicContact CG1-CD2 4.45Å; V469-L471 HydrophobicContact CG1-CG 4.31Å; V469-L471 HydrophobicContact CG2-CD2 4.09Å; L471-A486 HydrophobicContact CD2-CB 3.81Å
472I92.6Very high90.5Very high11 Ų1135.8 Ų35.86%0.05619%0.191CC..EExtended strand (participates in β ladder)trans-105.8122.4177.1-55.8179.6000108.7R461 V463 L470 K484 D485 L487R461-I472 HydrophobicContact CB-CG2 4Å; R461-I472 HydrophobicContact CG-CG2 3.78Å; V463-I472 HydrophobicContact CG1-CG1 4.11Å; L470-I472 HydrophobicContact CD2-CD1 4.43Å; L470-I472 HydrophobicContact CD2-CG1 4.27Å; L470-I472 HydrophobicContact CG-CG1 4.34Å; I472-K484 HydrophobicContact CG2-CB 4.5Å; I472-K484 WeakPolarHBondContact O-CA 3.28Å; I472-K484 WeakPolarHBondContact O-CB 3.43Å; I472-K484 PolarHBondContact O-N 3.49Å; I472-D485 HydrophobicContact CB-CB 4.06Å; I472-D485 HydrophobicContact CD1-CB 4.26Å; I472-D485 PolarHBondContact N-O 3.06Å; I472-D485 PolarHBondContact O-N 3.05Å; I472-D485 VanDerWaalsContact O-N 3.08Å; I472-L487 HydrophobicContact CD1-CD1 4.27Å; I472-L487 HydrophobicContact CD1-CD2 4.42Å; I472-L487 HydrophobicContact CD1-CG 4.18Å
473C95Very high90.7Very high0 Ų036.9 Ų36.90%020%0.195CC..EExtended strand (participates in β ladder)trans-128.4164.5-176.8-54.40000112.2R461 Y462 S482R461-C473 WeakPolarHBondContact CA-O 3.48Å; R461-C473 WeakPolarHBondContact CD-O 3.42Å; Y462-C473 PolarHBondContact N-O 3.49Å; Y462-C473 PolarHBondContact O-N 2.97Å; C473-S482 CarbonylContact C-O 3.51Å; C473-S482 VanDerWaalsContact CA-O 3.31Å; C473-S482 WeakPolarHBondContact CA-O 3.49Å
474K94.3Very high90.8Very high111 Ų11141 Ų4148%0.48321%0.213SC..EExtended strand (participates in β ladder)trans-107.3123.2167.4-177.7-175175.6-172.40108.4Y481 S482 K484K474-Y481 WeakPolarHBondContact O-CA 3.31Å; K474-S482 PolarHBondContact N-O 3.24Å; K474-S482 PolarHBondContact O-N 2.89Å; K474-K484 HydrophobicContact CB-CD 4.37Å; K474-K484 HydrophobicContact CB-CG 4.06Å
475P92.1Very high90.8Very high56 Ų5644 Ų4436%0.36423%0.23SC..EExtended strand (participates in β ladder)trans-64.3145176.826.8-33000111.2Y481P475-Y481 HydrophobicContact CB-CD1 4.25Å; P475-Y481 HydrophobicContact CB-CE1 4.32Å
476T90.8Very high90.9Very high63 Ų6344.5 Ų44.539%0.38723%0.234SC..  trans-128.3-176.9175.470.10000109.6R480T476-R480 WeakPolarHBondContact CA-O 3.09Å; T476-R480 PolarHBondContact N-O 3.14Å; T476-R480 WeakPolarHBondContact OG1-CB 3.38Å; T476-R480 PolarHBondContact OG1-O 3.35Å
477K85.4Confident90.8Very high198 Ų19846.3 Ų46.386%0.86124%0.243SC*.SBendtrans-71.1144-177.6-66.8-172.4175.8-171.60111.3
478G82.6Confident90.7Very high72 Ų7247.8 Ų47.874%0.74225%0.25SS*.SBendtrans75.343.4170.700000115.4R480G478-R480 PolarHBondContact O-N 2.89Å
479N85.7Confident90.5Very high42 Ų4247.1 Ų47.123%0.22525%0.248CC..SBendtrans56.930.8-179.9-149.741.3000113.8F73 T76 Y481F73-N479 WeakPolarHBondContact CD2-ND2 3.22Å; F73-N479 VanDerWaalsContact CE2-ND2 3.35Å; F73-N479 WeakPolarHBondContact CE2-ND2 2.99Å; T76-N479 PolarHBondContact OG1-ND2 2.69Å; T76-N479 PolarHBondContact OG1-OD1 3.17Å; N479-Y481 WeakPolarHBondContact O-CE2 3.37Å; N479-Y481 PolarHBondContact OD1-OH 3.43Å
480R93.4Very high89.7Confident99 Ų9951 Ų5137%0.37428%0.276SS..  trans-108.4153.1176.3-63.5-169.972.274.73.8110.7S416 D418 T476 G478S416-R480 WeakPolarHBondContact O-CA 3.47Å; D418-R480 IonicContact OD1-CZ 3.97Å; D418-R480 IonicContact OD1-NE 2.97Å; D418-R480 IonicContact OD1-NH2 3.69Å; D418-R480 PolarHBondContact OD1-NH2 3.43Å; D418-R480 IonicContact OD2-NE 2.86Å; D418-R480 IonicContact OD2-NH2 2.76Å; T476-R480 WeakPolarHBondContact CA-O 3.09Å; T476-R480 PolarHBondContact N-O 3.14Å; T476-R480 WeakPolarHBondContact OG1-CB 3.38Å; T476-R480 PolarHBondContact OG1-O 3.35Å; G478-R480 PolarHBondContact O-N 2.89Å
481Y95.6Very high89.2Confident8 Ų855.2 Ų55.23%0.03130%0.298CS..EExtended strand (participates in β ladder)trans-133.5148.9-175.5-54.6-92.2000110.5F73 S416 I417 D418 Y462 F464 K474 P475 N479F73-Y481 AromaticContact CD2-CE2 3.73Å; F73-Y481 HydrophobicContact CD2-CE2 3.73Å; F73-Y481 HydrophobicContact CE2-CE2 4.04Å; S416-Y481 PolarHBondContact O-N 2.9Å; I417-Y481 CarbonylContact C-O 3.51Å; I417-Y481 VanDerWaalsContact CA-O 3.32Å; I417-Y481 WeakPolarHBondContact CA-O 3.34Å; D418-Y481 PolarHBondContact N-O 3.14Å; Y462-Y481 AromaticContact CD1-CD1 3.85Å; Y462-Y481 HydrophobicContact CD1-CD1 3.85Å; Y462-Y481 AromaticContact CD1-CE1 3.39Å; Y462-Y481 HydrophobicContact CD1-CE1 3.39Å; Y462-Y481 HydrophobicContact CD2-CD1 4.42Å; Y462-Y481 AromaticContact CD2-CE1 3.59Å; Y462-Y481 HydrophobicContact CD2-CE1 3.59Å; Y462-Y481 AromaticContact CE1-CE1 3.69Å; Y462-Y481 HydrophobicContact CE1-CE1 3.69Å; Y462-Y481 AromaticContact CE1-CZ 3.85Å; Y462-Y481 AromaticContact CE2-CE1 3.84Å; Y462-Y481 HydrophobicContact CE2-CE1 3.84Å; Y462-Y481 AromaticContact CG-CD1 3.79Å; Y462-Y481 HydrophobicContact CG-CD1 3.79Å; Y462-Y481 AromaticContact CG-CE1 3.32Å; Y462-Y481 HydrophobicContact CG-CE1 3.32Å; Y462-Y481 AromaticContact CZ-CE1 3.89Å; Y462-Y481 AromaticContact CZ-CZ 3.93Å; Y462-Y481 PolarHBondContact OH-OH 3.18Å; F464-Y481 HydrophobicContact CE2-CD1 4.2Å; F464-Y481 AromaticContact CE2-CD2 3.97Å; F464-Y481 HydrophobicContact CE2-CD2 3.97Å; F464-Y481 HydrophobicContact CE2-CE1 4.45Å; F464-Y481 HydrophobicContact CE2-CE2 4.27Å; F464-Y481 AromaticContact CE2-CG 3.94Å; F464-Y481 HydrophobicContact CE2-CG 3.94Å; F464-Y481 HydrophobicContact CZ-CD1 4.38Å; F464-Y481 AromaticContact CZ-CD2 3.74Å; F464-Y481 HydrophobicContact CZ-CD2 3.74Å; F464-Y481 HydrophobicContact CZ-CE1 4.25Å; F464-Y481 AromaticContact CZ-CE2 3.62Å; F464-Y481 HydrophobicContact CZ-CE2 3.62Å; F464-Y481 HydrophobicContact CZ-CG 4.13Å; F464-Y481 AromaticContact CZ-CZ 3.85Å; K474-Y481 WeakPolarHBondContact O-CA 3.31Å; P475-Y481 HydrophobicContact CB-CD1 4.25Å; P475-Y481 HydrophobicContact CB-CE1 4.32Å; N479-Y481 WeakPolarHBondContact O-CE2 3.37Å; N479-Y481 PolarHBondContact OD1-OH 3.43Å
482S95.5Very high88.2Confident22 Ų2260.7 Ų60.715%0.15432%0.32CS..EExtended strand (participates in β ladder)trans-107.6124.8172.51720000109.4C473 K474 K484C473-S482 CarbonylContact C-O 3.51Å; C473-S482 VanDerWaalsContact CA-O 3.31Å; C473-S482 WeakPolarHBondContact CA-O 3.49Å; K474-S482 PolarHBondContact N-O 3.24Å; K474-S482 PolarHBondContact O-N 2.89Å; S482-K484 PolarHBondContact OG-NZ 3.38Å
483Y95.7Very high87.1Confident24 Ų2469.4 Ų69.49%0.09436%0.36CS..EExtended strand (participates in β ladder)trans-54.1141.4176.1176.5-103.9000111.8D418 L420 W423 D485 A486D418-Y483 WeakPolarHBondContact O-CB 3.39Å; D418-Y483 PolarHBondContact O-N 3.45Å; L420-Y483 HydrophobicContact CD1-CD2 4.02Å; W423-Y483 HydrophobicContact CB-CE1 3.78Å; W423-Y483 HydrophobicContact CB-CE2 3.96Å; W423-Y483 WeakPolarHBondContact CB-OH 3.34Å; W423-Y483 HydrophobicContact CG-CE2 4.28Å; W423-Y483 AromaticContact CG-CZ 3.88Å; Y483-D485 VanDerWaalsContact CE2-C 3.47Å; Y483-D485 VanDerWaalsContact CE2-O 3.24Å; Y483-D485 WeakPolarHBondContact CE2-O 3.5Å; Y483-D485 VanDerWaalsContact OH-C 3.3Å; Y483-D485 WeakPolarHBondContact OH-CA 3.44Å; Y483-A486 HydrophobicContact CE2-CB 4.07Å; Y483-A486 PolarHBondContact OH-N 3.15Å
484K93.9Very high85.9Confident88 Ų8873.4 Ų73.438%0.38338%0.381SS..EExtended strand (participates in β ladder)trans-133.1-42.1177.5-64.4-71.2152.8-105.30113I472 K474 S482I472-K484 HydrophobicContact CG2-CB 4.5Å; I472-K484 WeakPolarHBondContact O-CA 3.28Å; I472-K484 WeakPolarHBondContact O-CB 3.43Å; I472-K484 PolarHBondContact O-N 3.49Å; K474-K484 HydrophobicContact CB-CD 4.37Å; K474-K484 HydrophobicContact CB-CG 4.06Å; S482-K484 PolarHBondContact OG-NZ 3.38Å
485D91.5Very high84.6Confident66 Ų6675.7 Ų75.735%0.35339%0.393SS..EExtended strand (participates in β ladder)trans-163.4166.1-178.8-150.1-15.2000110.9I472 Y483I472-D485 HydrophobicContact CB-CB 4.06Å; I472-D485 HydrophobicContact CD1-CB 4.26Å; I472-D485 PolarHBondContact N-O 3.06Å; I472-D485 PolarHBondContact O-N 3.05Å; I472-D485 VanDerWaalsContact O-N 3.08Å; Y483-D485 VanDerWaalsContact CE2-C 3.47Å; Y483-D485 VanDerWaalsContact CE2-O 3.24Å; Y483-D485 WeakPolarHBondContact CE2-O 3.5Å; Y483-D485 VanDerWaalsContact OH-C 3.3Å; Y483-D485 WeakPolarHBondContact OH-CA 3.44Å
486A90.7Very high83.3Confident11 Ų1176.6 Ų76.69%0.09140%0.395CS..EExtended strand (participates in β ladder)trans-143.9127.7173.900000110.9W423 V469 L470 L471 Y483W423-A486 HydrophobicContact CD2-CB 3.59Å; W423-A486 HydrophobicContact CE3-CB 4.18Å; W423-A486 HydrophobicContact CG-CB 3.96Å; W423-A486 HydrophobicContact CH2-CB 4.27Å; W423-A486 HydrophobicContact CZ2-CB 3.66Å; W423-A486 HydrophobicContact CZ3-CB 4.5Å; V469-A486 HydrophobicContact CG2-CB 4.07Å; L470-A486 CarbonylContact O-C 3.47Å; L470-A486 WeakPolarHBondContact O-CA 3.49Å; L471-A486 HydrophobicContact CD2-CB 3.81Å; Y483-A486 HydrophobicContact CE2-CB 4.07Å; Y483-A486 PolarHBondContact OH-N 3.15Å
487L88.1Confident81.9Confident37 Ų3777.3 Ų77.319%0.19440%0.399CS..EExtended strand (participates in β ladder)trans-104.6113.4177.5-44.7-174.8000109.4V469 L470 I472 L489 Y492V469-L487 CarbonylContact C-O 3.51Å; V469-L487 WeakPolarHBondContact CA-O 3.47Å; V469-L487 WeakPolarHBondContact CG2-O 3.43Å; L470-L487 HydrophobicContact CB-CB 4.2Å; L470-L487 HydrophobicContact CD2-CD1 3.8Å; L470-L487 HydrophobicContact CD2-CG 4.28Å; L470-L487 PolarHBondContact N-O 3.22Å; L470-L487 PolarHBondContact O-N 3.23Å; I472-L487 HydrophobicContact CD1-CD1 4.27Å; I472-L487 HydrophobicContact CD1-CD2 4.42Å; I472-L487 HydrophobicContact CD1-CG 4.18Å; L487-L489 PolarHBondContact O-N 3.21Å; L487-Y492 HydrophobicContact CB-CD2 4.13Å; L487-Y492 HydrophobicContact CB-CE2 3.76Å; L487-Y492 HydrophobicContact CD1-CE1 4.49Å; L487-Y492 HydrophobicContact CD2-CE1 4.34Å; L487-Y492 HydrophobicContact CD2-CE2 4.42Å
488I85.4Confident80.4Confident41 Ų4174.7 Ų74.721%0.2139%0.394CS..EExtended strand (participates in β ladder)trans-72.9111.1172.6-60-62.1000108.4W423 Y433 V469 S490 D491 Y492W423-I488 HydrophobicContact CZ2-CD1 3.76Å; Y433-I488 HydrophobicContact CD1-CD1 4.33Å; Y433-I488 HydrophobicContact CE1-CD1 3.89Å; V469-I488 HydrophobicContact CB-CD1 4.44Å; V469-I488 HydrophobicContact CG2-CD1 4.16Å; I488-S490 WeakPolarHBondContact CG2-OG 3.41Å; I488-S490 PolarHBondContact O-N 3.32Å; I488-D491 WeakPolarHBondContact O-CB 3.34Å; I488-D491 PolarHBondContact O-N 2.76Å; I488-Y492 WeakPolarHBondContact O-CD2 3.2Å
489L80.4Confident79Confident15 Ų1576.1 Ų76.18%0.07939%0.385CS..G310 helixtrans-64.3-20.6-165.5-60.6172000113.9F466 K468 L470 L487 D491 F516 V517F466-L489 WeakPolarHBondContact O-CD1 3.19Å; K468-L489 PolarHBondContact O-N 2.97Å; L470-L489 HydrophobicContact CB-CD2 3.99Å; L487-L489 PolarHBondContact O-N 3.21Å; L489-D491 PolarHBondContact O-N 3.42Å; L489-F516 WeakPolarHBondContact CD1-O 3.31Å; L489-F516 VanDerWaalsContact CD2-O 3.25Å; L489-F516 WeakPolarHBondContact CD2-O 3.27Å; L489-V517 HydrophobicContact CD2-CG2 4.41Å
490S73Confident77.2Confident83 Ų8379.6 Ų79.658%0.5841%0.408SS*.G310 helixtrans-66.9-19.6173.9560000113.9I488I488-S490 WeakPolarHBondContact CG2-OG 3.41Å; I488-S490 PolarHBondContact O-N 3.32Å
491D77.5Confident74.9Confident112 Ų11280 Ų8060%0.59942%0.417SS*.G310 helixtrans-97.8-1.7-172.9-54.8-10000111.9I488 L489I488-D491 WeakPolarHBondContact O-CB 3.34Å; I488-D491 PolarHBondContact O-N 2.76Å; L489-D491 PolarHBondContact O-N 3.42Å
492Y73.9Confident72.6Confident116 Ų11686.5 Ų86.546%0.45545%0.447SS..  trans-124.2146.3-175.6-63.5-97.5000110.7L487 I488 V517L487-Y492 HydrophobicContact CB-CD2 4.13Å; L487-Y492 HydrophobicContact CB-CE2 3.76Å; L487-Y492 HydrophobicContact CD1-CE1 4.49Å; L487-Y492 HydrophobicContact CD2-CE1 4.34Å; L487-Y492 HydrophobicContact CD2-CE2 4.42Å; I488-Y492 WeakPolarHBondContact O-CD2 3.2Å; Y492-V517 WeakPolarHBondContact O-CG1 2.96Å
493E68.1Low70.1Confident193 Ų19386.5 Ų86.590%0.90245%0.451SS*.  trans-112.4151167.5-68.4-172.8164.500109.6
494L69.9Low67.8Low85 Ų8589.1 Ų89.145%0.44546%0.463SS..  trans-98.5124.9178.7-103.3158.4000110.9A513 V517L494-A513 HydrophobicContact CD1-CB 4.18Å; L494-A513 WeakPolarHBondContact CD1-O 3.49Å; L494-A513 HydrophobicContact CD2-CB 3.49Å; L494-A513 VanDerWaalsContact CD2-CB 3.49Å; L494-A513 HydrophobicContact CG-CB 4.49Å; L494-V517 HydrophobicContact CD1-CB 4Å; L494-V517 HydrophobicContact CD1-CG2 3.64Å; L494-V517 HydrophobicContact CG-CG2 4.15Å
495E68.2Low65.5Low158 Ų15894.4 Ų94.474%0.73848%0.48SS*.  trans-118.5121.6176-169.4177.7-175.900109.4V497E495-V497 PolarHBondContact O-N 3.24Å
496D63.8Low63.5Low76 Ų7694.7 Ų94.741%0.40648%0.482SS..  trans-81.6103.8174.4-164.11.9000109.2L498 R510D496-L498 PolarHBondContact O-N 2.87Å; D496-R510 IonicContact OD2-CZ 3.68Å; D496-R510 IonicContact OD2-NE 2.68Å; D496-R510 PolarHBondContact OD2-NE 2.79Å; D496-R510 IonicContact OD2-NH2 3.58Å; D496-R510 PolarHBondContact OD2-NH2 3.48Å
497V61.9Low61.7Low77 Ų7799.8 Ų99.847%0.46751%0.507SS..  trans-82.698.5176.6-175.50000108.2E495 D499E495-V497 PolarHBondContact O-N 3.24Å; V497-D499 HydrophobicContact CG1-CB 4.02Å; V497-D499 PolarHBondContact O-N 3.07Å
498L54.6Low59.9Low143 Ų143100.3 Ų100.375%0.74951%0.511SS*.  trans-63.77.2-179-65.1173.1000115.1D496 T500D496-L498 PolarHBondContact O-N 2.87Å; L498-T500 PolarHBondContact O-N 3.42Å
499D51.5Low58.3Low103 Ų103100.3 Ų100.355%0.55151%0.511SS*.  trans-81.1109.4-175.1-147.81.3000110.9V497 N501 H502 G503V497-D499 HydrophobicContact CG1-CB 4.02Å; V497-D499 PolarHBondContact O-N 3.07Å; D499-N501 PolarHBondContact O-N 2.65Å; D499-H502 PolarHBondContact O-N 3.4Å; D499-G503 PolarHBondContact O-N 2.72Å
500T48.1Very low56.9Low115 Ų115105.1 Ų105.171%0.70653%0.528SS*.THydrogen-bonded Turntrans-62.3-3.8-164.350.10000115.9L498L498-T500 PolarHBondContact O-N 3.42Å
501N45.5Very low56Low106 Ų106104 Ų10457%0.56751%0.514SS*.THydrogen-bonded Turntrans-106-15.1176.4-77.4-30.2000115D499D499-N501 PolarHBondContact O-N 2.65Å
502H47.1Very low54.8Low146 Ų14699.4 Ų99.468%0.67649%0.489SS*.THydrogen-bonded Turntrans-136.3-5.8-176.9-64.9-52.7000114.5D499D499-H502 PolarHBondContact O-N 3.4Å
503G44Very low53.7Low22 Ų2294.6 Ų94.623%0.22747%0.472CS..SBendtrans-69.1171.1172.500000113.7D499 R505D499-G503 PolarHBondContact O-N 2.72Å; G503-R505 PolarHBondContact O-N 3.34Å
504F47.1Very low52.8Low78 Ų7894.3 Ų94.334%0.34247%0.469SS..  trans-57.988180-60.7-75.8000111.6N506 I509 R510 A513F504-N506 PolarHBondContact O-N 2.98Å; F504-N506 VanDerWaalsContact O-N 3.16Å; F504-I509 HydrophobicContact CD1-CB 3.74Å; F504-I509 HydrophobicContact CD1-CG2 3.27Å; F504-I509 HydrophobicContact CE1-CB 4.4Å; F504-I509 HydrophobicContact CE1-CG2 3.46Å; F504-I509 VanDerWaalsContact CE1-CG2 3.46Å; F504-I509 HydrophobicContact CG-CG2 4.46Å; F504-R510 HydrophobicContact CB-CB 4.33Å; F504-R510 HydrophobicContact CB-CG 4.41Å; F504-A513 HydrophobicContact CE1-CB 4.5Å; F504-A513 HydrophobicContact CE2-CB 4.49Å; F504-A513 HydrophobicContact CZ-CB 4.17Å
505R45.2Very low51.9Low200 Ų20098.3 Ų98.376%0.75548%0.479SS*.  trans-70.5-2.8179.5-82.1-171.6170.7-169.9-1114.5G503G503-R505 PolarHBondContact O-N 3.34Å
506N50.2Low51.1Low72 Ų7291.4 Ų91.439%0.38545%0.447SS..SBendtrans-129.7116.5-174.8-162.4-16.7000107.3F504 N508 I509 R510F504-N506 PolarHBondContact O-N 2.98Å; F504-N506 VanDerWaalsContact O-N 3.16Å; N506-N508 PolarHBondContact O-N 2.97Å; N506-N508 PolarHBondContact OD1-ND2 3.11Å; N506-I509 HydrophobicContact CB-CD1 4.29Å; N506-I509 HydrophobicContact CB-CG1 4.23Å; N506-I509 PolarHBondContact O-N 2.98Å; N506-R510 PolarHBondContact O-N 2.6Å
507D51.8Low50.6Low117 Ų11789.6 Ų89.663%0.62644%0.438SS*.Hα-helixtrans-52-31.6-179.7-71.4-36.1000111.2I509 R510 E511D507-I509 VanDerWaalsContact C-N 3.31Å; D507-I509 PolarHBondContact O-N 2.9Å; D507-R510 WeakPolarHBondContact O-CB 3.48Å; D507-R510 PolarHBondContact O-N 2.94Å; D507-E511 PolarHBondContact O-N 3.1Å
508N51.1Low50.4Low49 Ų4987.6 Ų87.626%0.26243%0.428SS..Hα-helixtrans-53.8-41.1172.4-70.2-54.7000113.7E162 N506 M512E162-N508 PolarHBondContact O-ND2 2.77Å; N506-N508 PolarHBondContact O-N 2.97Å; N506-N508 PolarHBondContact OD1-ND2 3.11Å; N508-M512 WeakPolarHBondContact O-CB 3.37Å; N508-M512 WeakPolarHBondContact O-CG 3.38Å; N508-M512 PolarHBondContact O-N 2.93Å
509I51.8Low51.2Low41 Ų4184.9 Ų84.921%0.2141%0.414CS..Hα-helixtrans-80.2-29.4178.7-47.8173.3000110.4I442 F504 N506 D507 E511 M512 A513I442-I509 HydrophobicContact CG2-CG1 4.33Å; F504-I509 HydrophobicContact CD1-CB 3.74Å; F504-I509 HydrophobicContact CD1-CG2 3.27Å; F504-I509 HydrophobicContact CE1-CB 4.4Å; F504-I509 HydrophobicContact CE1-CG2 3.46Å; F504-I509 VanDerWaalsContact CE1-CG2 3.46Å; F504-I509 HydrophobicContact CG-CG2 4.46Å; N506-I509 HydrophobicContact CB-CD1 4.29Å; N506-I509 HydrophobicContact CB-CG1 4.23Å; N506-I509 PolarHBondContact O-N 2.98Å; D507-I509 VanDerWaalsContact C-N 3.31Å; D507-I509 PolarHBondContact O-N 2.9Å; I509-E511 VanDerWaalsContact C-N 3.34Å; I509-M512 CarbonylContact O-C 3.38Å; I509-M512 PolarHBondContact O-N 2.67Å; I509-A513 WeakPolarHBondContact O-CB 3.38Å; I509-A513 PolarHBondContact O-N 3.48Å
510R51.3Low52.5Low115 Ų11582.5 Ų82.543%0.43440%0.401SS..Hα-helixtrans-68.8-37.5177-147.4178.6-176.6-170-0.1111.1D496 F504 N506 D507 A513 F514D496-R510 IonicContact OD2-CZ 3.68Å; D496-R510 IonicContact OD2-NE 2.68Å; D496-R510 PolarHBondContact OD2-NE 2.79Å; D496-R510 IonicContact OD2-NH2 3.58Å; D496-R510 PolarHBondContact OD2-NH2 3.48Å; F504-R510 HydrophobicContact CB-CB 4.33Å; F504-R510 HydrophobicContact CB-CG 4.41Å; N506-R510 PolarHBondContact O-N 2.6Å; D507-R510 WeakPolarHBondContact O-CB 3.48Å; D507-R510 PolarHBondContact O-N 2.94Å; R510-A513 WeakPolarHBondContact O-CB 3.46Å; R510-A513 PolarHBondContact O-N 3.05Å; R510-F514 WeakPolarHBondContact O-CB 3.49Å; R510-F514 PolarHBondContact O-N 2.87Å
511E53.5Low53.9Low61 Ų6179.3 Ų79.329%0.28538%0.382SS..Hα-helixtrans-71.1-40.7169.7-71.2175.4169.900112.1E165 K438 D507 I509 A513 F514 Y515E165-E511 VanDerWaalsContact OE1-OE2 3.07Å; K438-E511 IonicContact NZ-OE2 3.31Å; K438-E511 PolarHBondContact NZ-OE2 3.44Å; D507-E511 PolarHBondContact O-N 3.1Å; I509-E511 VanDerWaalsContact C-N 3.34Å; E511-A513 VanDerWaalsContact C-N 3.27Å; E511-A513 PolarHBondContact O-N 2.93Å; E511-F514 PolarHBondContact O-N 3.41Å; E511-Y515 HydrophobicContact CB-CD2 4.31Å; E511-Y515 HydrophobicContact CB-CE2 4.49Å; E511-Y515 WeakPolarHBondContact O-CB 3.37Å; E511-Y515 WeakPolarHBondContact O-CD2 3.39Å; E511-Y515 PolarHBondContact O-N 3.44Å
512M53.4Low55.3Low15 Ų1576.5 Ų76.57%0.07437%0.37CS..Hα-helixtrans-55.4-48.5169.3-73.7178.7165.800109.3K438 I442 V463 N508 I509 F514 F516K438-M512 HydrophobicContact CD-CE 4.47Å; K438-M512 HydrophobicContact CD-CG 4.06Å; K438-M512 HydrophobicContact CG-CE 3.95Å; K438-M512 HydrophobicContact CG-CG 4.31Å; I442-M512 HydrophobicContact CG2-SD 3.8Å; V463-M512 HydrophobicContact CG2-CE 4.05Å; V463-M512 HydrophobicContact CG2-SD 4Å; N508-M512 WeakPolarHBondContact O-CB 3.37Å; N508-M512 WeakPolarHBondContact O-CG 3.38Å; N508-M512 PolarHBondContact O-N 2.93Å; I509-M512 CarbonylContact O-C 3.38Å; I509-M512 PolarHBondContact O-N 2.67Å; M512-F514 PolarHBondContact O-N 3.32Å; M512-F516 VanDerWaalsContact C-CD2 3.47Å; M512-F516 HydrophobicContact CB-CD2 4.31Å; M512-F516 HydrophobicContact CB-CE1 4.03Å; M512-F516 HydrophobicContact CB-CE2 3.68Å; M512-F516 HydrophobicContact CB-CZ 3.47Å; M512-F516 VanDerWaalsContact CB-CZ 3.47Å; M512-F516 HydrophobicContact CG-CE1 4.32Å; M512-F516 HydrophobicContact CG-CE2 3.85Å; M512-F516 HydrophobicContact CG-CZ 3.46Å; M512-F516 VanDerWaalsContact CG-CZ 3.46Å; M512-F516 WeakPolarHBondContact O-CB 3.3Å; M512-F516 WeakPolarHBondContact O-CD2 3.29Å; M512-F516 VanDerWaalsContact O-CE2 3.25Å; M512-F516 WeakPolarHBondContact O-CE2 3.34Å; M512-F516 WeakPolarHBondContact O-CG 3.21Å; M512-F516 PolarHBondContact O-N 2.9Å; M512-F516 VanDerWaalsContact O-N 3.15Å; M512-F516 HydrophobicContact SD-CZ 4.28Å
513A49.1Very low56.8Low14 Ų1469.7 Ų69.712%0.11634%0.339CS..Hα-helixtrans-56.4-56.9172.800000111.8L494 F504 I509 R510 E511 Y515 F516L494-A513 HydrophobicContact CD1-CB 4.18Å; L494-A513 WeakPolarHBondContact CD1-O 3.49Å; L494-A513 HydrophobicContact CD2-CB 3.49Å; L494-A513 VanDerWaalsContact CD2-CB 3.49Å; L494-A513 HydrophobicContact CG-CB 4.49Å; F504-A513 HydrophobicContact CE1-CB 4.5Å; F504-A513 HydrophobicContact CE2-CB 4.49Å; F504-A513 HydrophobicContact CZ-CB 4.17Å; I509-A513 WeakPolarHBondContact O-CB 3.38Å; I509-A513 PolarHBondContact O-N 3.48Å; R510-A513 WeakPolarHBondContact O-CB 3.46Å; R510-A513 PolarHBondContact O-N 3.05Å; E511-A513 VanDerWaalsContact C-N 3.27Å; E511-A513 PolarHBondContact O-N 2.93Å; A513-Y515 VanDerWaalsContact C-N 3.27Å; A513-Y515 PolarHBondContact O-N 3.43Å; A513-Y515 VanDerWaalsContact O-N 3.14Å; A513-F516 PolarHBondContact O-N 2.81Å
514F48.9Very low58.4Low187 Ų18771.8 Ų71.882%0.8235%0.349SS*.Hα-helixtrans-62-30.2-171.9-139.4-92.7000114.2R510 E511 M512R510-F514 WeakPolarHBondContact O-CB 3.49Å; R510-F514 PolarHBondContact O-N 2.87Å; E511-F514 PolarHBondContact O-N 3.41Å; M512-F514 PolarHBondContact O-N 3.32Å
515Y51.3Low60Low170 Ų17070.3 Ų70.367%0.66735%0.346SS*.Hα-helixtrans-84.5-18.7174.8-76.6-71.8000113.6E511 A513E511-Y515 HydrophobicContact CB-CD2 4.31Å; E511-Y515 HydrophobicContact CB-CE2 4.49Å; E511-Y515 WeakPolarHBondContact O-CB 3.37Å; E511-Y515 WeakPolarHBondContact O-CD2 3.39Å; E511-Y515 PolarHBondContact O-N 3.44Å; A513-Y515 VanDerWaalsContact C-N 3.27Å; A513-Y515 PolarHBondContact O-N 3.43Å; A513-Y515 VanDerWaalsContact O-N 3.14Å
516F53Low61.5Low13 Ų1361.4 Ų61.46%0.05732%0.315CS..SBendtrans-95.49-161.5-76.9-147.5000116.2K438 A465 L470 L489 M512 A513K438-F516 HydrophobicContact CB-CE2 4.06Å; K438-F516 HydrophobicContact CB-CZ 4.18Å; A465-F516 HydrophobicContact CB-CD1 3.66Å; A465-F516 HydrophobicContact CB-CD2 4.04Å; A465-F516 HydrophobicContact CB-CE1 3Å; A465-F516 HydrophobicContact CB-CE2 3.48Å; A465-F516 VanDerWaalsContact CB-CE2 3.48Å; A465-F516 HydrophobicContact CB-CG 4.2Å; A465-F516 HydrophobicContact CB-CZ 2.96Å; L470-F516 HydrophobicContact CD1-CD1 3.61Å; L470-F516 HydrophobicContact CD1-CE1 3.34Å; L489-F516 WeakPolarHBondContact CD1-O 3.31Å; L489-F516 VanDerWaalsContact CD2-O 3.25Å; L489-F516 WeakPolarHBondContact CD2-O 3.27Å; M512-F516 VanDerWaalsContact C-CD2 3.47Å; M512-F516 HydrophobicContact CB-CD2 4.31Å; M512-F516 HydrophobicContact CB-CE1 4.03Å; M512-F516 HydrophobicContact CB-CE2 3.68Å; M512-F516 HydrophobicContact CB-CZ 3.47Å; M512-F516 VanDerWaalsContact CB-CZ 3.47Å; M512-F516 HydrophobicContact CG-CE1 4.32Å; M512-F516 HydrophobicContact CG-CE2 3.85Å; M512-F516 HydrophobicContact CG-CZ 3.46Å; M512-F516 VanDerWaalsContact CG-CZ 3.46Å; M512-F516 WeakPolarHBondContact O-CB 3.3Å; M512-F516 WeakPolarHBondContact O-CD2 3.29Å; M512-F516 VanDerWaalsContact O-CE2 3.25Å; M512-F516 WeakPolarHBondContact O-CE2 3.34Å; M512-F516 WeakPolarHBondContact O-CG 3.21Å; M512-F516 PolarHBondContact O-N 2.9Å; M512-F516 VanDerWaalsContact O-N 3.15Å; M512-F516 HydrophobicContact SD-CZ 4.28Å; A513-F516 PolarHBondContact O-N 2.81Å
517V52.2Low62.7Low37 Ų3766.6 Ų66.622%0.22433%0.329CS..SBendtrans-146.8133.9169.8-177.40000110.5L489 Y492 L494 D519L489-V517 HydrophobicContact CD2-CG2 4.41Å; Y492-V517 WeakPolarHBondContact O-CG1 2.96Å; L494-V517 HydrophobicContact CD1-CB 4Å; L494-V517 HydrophobicContact CD1-CG2 3.64Å; L494-V517 HydrophobicContact CG-CG2 4.15Å; V517-D519 PolarHBondContact O-N 3.36Å
518S57.2Low63.8Low36 Ų3667.2 Ų67.225%0.25233%0.332SS..SBendtrans83.9-47.2166179.40000118.8N520 V521 S522 R527S518-N520 PolarHBondContact O-N 3.08Å; S518-V521 PolarHBondContact O-N 3.17Å; S518-S522 CarbonylContact O-C 3.59Å; S518-S522 VanDerWaalsContact O-CA 3.27Å; S518-S522 WeakPolarHBondContact O-CA 3.42Å; S518-S522 PolarHBondContact O-N 3.35Å; S518-S522 PolarHBondContact OG-O 3.07Å; S518-R527 PolarHBondContact OG-NH2 3.04Å
519D72Confident65Low85 Ų8565.8 Ų65.846%0.45533%0.325SS..THydrogen-bonded Turntrans-68.6-31.3-159.2-9120.1000117V517 P523 P524 K570V517-D519 PolarHBondContact O-N 3.36Å; D519-P523 WeakPolarHBondContact O-CA 3.29Å; D519-P523 WeakPolarHBondContact O-CB 3.44Å; D519-P524 WeakPolarHBondContact OD1-CD 3.49Å; D519-P524 VanDerWaalsContact OD1-CG 3.31Å; D519-P524 WeakPolarHBondContact OD1-CG 3.02Å; D519-K570 WeakPolarHBondContact O-CE 3.2Å; D519-K570 PolarHBondContact O-NZ 3.46Å
520N79.4Confident66Low53 Ų5367.7 Ų67.728%0.28333%0.333SS..THydrogen-bonded Turntrans-84.3-41.4173.9-74.9-16000111.9D467 S518 Y535 Y559 K570D467-N520 PolarHBondContact OD1-ND2 2.91Å; S518-N520 PolarHBondContact O-N 3.08Å; N520-Y535 HydrophobicContact CB-CE1 4.46Å; N520-Y559 WeakPolarHBondContact O-CE1 3.23Å; N520-Y559 VanDerWaalsContact O-CZ 3.22Å; N520-Y559 PolarHBondContact O-OH 3.27Å; N520-K570 PolarHBondContact OD1-NZ 2.97Å
521V75.9Confident66.9Low49 Ų4962.9 Ų62.930%0.29732%0.315SS..THydrogen-bonded Turntrans-74.5-40.7-177.5-179.20000111.4D467 K468 S518 Y535D467-V521 HydrophobicContact CB-CG2 4.41Å; D467-V521 VanDerWaalsContact O-CG2 3.27Å; D467-V521 WeakPolarHBondContact O-CG2 3.46Å; K468-V521 HydrophobicContact CG-CG2 3.86Å; S518-V521 PolarHBondContact O-N 3.17Å; V521-Y535 HydrophobicContact CG2-CD1 4.41Å
522S74.9Confident68.1Low47 Ų4761 Ų6133%0.32931%0.31SS..SBendtrans-134.776.2-179.5-166.10000109.8S518S518-S522 CarbonylContact O-C 3.59Å; S518-S522 VanDerWaalsContact O-CA 3.27Å; S518-S522 WeakPolarHBondContact O-CA 3.42Å; S518-S522 PolarHBondContact O-N 3.35Å; S518-S522 PolarHBondContact OG-O 3.07Å
523P80.4Confident69.4Low3 Ų361.7 Ų61.72%0.01931%0.314CS..  trans-56.4138.7-179.720.8-31.1000110.4D519 T525 A526 Y559 K570 I573D519-P523 WeakPolarHBondContact O-CA 3.29Å; D519-P523 WeakPolarHBondContact O-CB 3.44Å; P523-T525 PolarHBondContact O-N 2.95Å; P523-A526 HydrophobicContact CG-CB 4.02Å; P523-A526 VanDerWaalsContact O-CB 3.28Å; P523-A526 WeakPolarHBondContact O-CB 3Å; P523-A526 PolarHBondContact O-N 2.73Å; P523-Y559 VanDerWaalsContact CD-CE1 3.44Å; P523-Y559 HydrophobicContact CG-CD1 4.39Å; P523-Y559 HydrophobicContact CG-CE1 3.69Å; P523-Y559 HydrophobicContact CG-CE2 4.34Å; P523-K570 HydrophobicContact CB-CG 4.26Å; P523-I573 HydrophobicContact CB-CD1 4.19Å; P523-I573 HydrophobicContact CG-CD1 3.33Å
524P76.5Confident71Confident66 Ų6662 Ų6243%0.42932%0.316SS..G310 helixtrans-53.7-33.2-177.1-2934.7000113.3D519 A526 R527D519-P524 WeakPolarHBondContact OD1-CD 3.49Å; D519-P524 VanDerWaalsContact OD1-CG 3.31Å; D519-P524 WeakPolarHBondContact OD1-CG 3.02Å; P524-A526 VanDerWaalsContact C-N 3.31Å; P524-A526 PolarHBondContact O-N 3.38Å; P524-R527 WeakPolarHBondContact O-CB 3.22Å; P524-R527 PolarHBondContact O-N 2.69Å
525T81Confident72.9Confident46 Ų4654.1 Ų54.128%0.28228%0.281SS..G310 helixtrans-64.3-28.3176.150.90000113.7P523 R527 L528P523-T525 PolarHBondContact O-N 2.95Å; T525-R527 VanDerWaalsContact C-N 3.25Å; T525-R527 PolarHBondContact O-N 2.87Å; T525-L528 WeakPolarHBondContact O-CB 3.47Å; T525-L528 PolarHBondContact O-N 2.99Å; T525-L528 VanDerWaalsContact O-N 3.11Å
526A77.2Confident74.5Confident14 Ų1449.7 Ų49.712%0.11627%0.265CS..G310 helixtrans-62.8-35177.200000111.8P523 P524 L528 T529 L533 I573P523-A526 HydrophobicContact CG-CB 4.02Å; P523-A526 VanDerWaalsContact O-CB 3.28Å; P523-A526 WeakPolarHBondContact O-CB 3Å; P523-A526 PolarHBondContact O-N 2.73Å; P524-A526 VanDerWaalsContact C-N 3.31Å; P524-A526 PolarHBondContact O-N 3.38Å; A526-L528 PolarHBondContact O-N 2.8Å; A526-T529 PolarHBondContact O-N 2.66Å; A526-T529 PolarHBondContact O-OG1 2.9Å; A526-L533 HydrophobicContact CB-CD1 3.92Å; A526-I573 HydrophobicContact CB-CG2 4.38Å
527R73.9Confident76.2Confident181 Ų18151.6 Ų51.668%0.68328%0.279SS*.G310 helixtrans-64.6-17.5177.5-55.3-177.8-172.8-174.12.8113S518 P524 T525S518-R527 PolarHBondContact OG-NH2 3.04Å; P524-R527 WeakPolarHBondContact O-CB 3.22Å; P524-R527 PolarHBondContact O-N 2.69Å; T525-R527 VanDerWaalsContact C-N 3.25Å; T525-R527 PolarHBondContact O-N 2.87Å
528L75.3Confident77.9Confident130 Ų13050.6 Ų50.668%0.68127%0.272SS*.G310 helixtrans-90.2-6.4177.7-55.6177000113T525 A526T525-L528 WeakPolarHBondContact O-CB 3.47Å; T525-L528 PolarHBondContact O-N 2.99Å; T525-L528 VanDerWaalsContact O-N 3.11Å; A526-L528 PolarHBondContact O-N 2.8Å
529T76.4Confident79.2Confident18 Ų1858 Ų5811%0.1130%0.302CS..SBendtrans-107.4161.7-177.774.70000111.6A526 H531 I573 M577A526-T529 PolarHBondContact O-N 2.66Å; A526-T529 PolarHBondContact O-OG1 2.9Å; T529-H531 PolarHBondContact O-N 3.49Å; T529-H531 PolarHBondContact OG1-N 2.68Å; T529-I573 HydrophobicContact CG2-CG2 3.8Å; T529-M577 HydrophobicContact CG2-CE 4.28Å; T529-M577 HydrophobicContact CG2-SD 4.06Å
530E74.3Confident79.7Confident81 Ų8160.2 Ų60.238%0.37930%0.304SS..SBendtrans-80.90.6171.9-57.2-172139.100113.5M577 C579 R582E530-M577 PolarHBondContact N-O 3.01Å; E530-C579 HydrophobicContact CB-CB 3.87Å; E530-C579 WeakPolarHBondContact O-CB 3.35Å; E530-C579 PolarHBondContact OE2-N 3.45Å; E530-C579 VanDerWaalsContact OE2-N 3.12Å; E530-R582 IonicContact OE1-CZ 3.57Å; E530-R582 IonicContact OE1-NH1 2.82Å; E530-R582 PolarHBondContact OE1-NH1 3.05Å; E530-R582 IonicContact OE2-NH1 3.04Å
531H69.3Low80.1Confident14 Ų1460.2 Ų60.27%0.06531%0.307CS..  trans-86.1136-176.5-65.4-86.3000111.4T529 L533 C561 C564 M576 A578 C579T529-H531 PolarHBondContact O-N 3.49Å; T529-H531 PolarHBondContact OG1-N 2.68Å; H531-L533 HydrophobicContact CB-CD1 4.42Å; H531-L533 HydrophobicContact CB-CD2 3.77Å; H531-L533 HydrophobicContact CB-CG 3.76Å; H531-L533 PolarHBondContact O-N 3.1Å; H531-C561 HydrophobicContact CB-CB 4.07Å; H531-C564 VanDerWaalsContact CE1-SG 3.57Å; H531-C564 PolarHBondContact ND1-SG 2.89Å; H531-C564 VanDerWaalsContact ND1-SG 3.35Å; H531-M576 PolarHBondContact CD2-O 3.33Å; H531-M576 PolarHBondContact NE2-O 3.44Å; H531-A578 PolarHBondContact CE1-O 3.45Å; H531-A578 PolarHBondContact NE2-O 2.87Å; H531-C579 VanDerWaalsContact CE1-CA 3.49Å; H531-C579 WeakPolarHBondContact CE1-CA 3.47Å
532A77.7Confident80.7Confident22 Ų2259.6 Ų59.618%0.18230%0.303CS..  trans-87.584.4166.100000108.9C561 I562 I563A532-C561 CarbonylContact O-C 3.6Å; A532-C561 VanDerWaalsContact O-CA 3.31Å; A532-C561 WeakPolarHBondContact O-CA 3.32Å; A532-I562 HydrophobicContact CB-CD1 3.96Å; A532-I562 HydrophobicContact CB-CG1 3.69Å; A532-I562 WeakPolarHBondContact O-CG1 2.81Å; A532-I562 PolarHBondContact O-N 2.94Å; A532-I563 HydrophobicContact CB-CD1 3.78Å; A532-I563 HydrophobicContact CB-CG1 4.04Å
533L81.6Confident81.6Confident29 Ų2959.5 Ų59.515%0.15230%0.298CS..EExtended strand (participates in β ladder)trans-81.3128.7-174.4-65.1176.2000111.5A526 H531 Y559 C561 L568 I573A526-L533 HydrophobicContact CB-CD1 3.92Å; H531-L533 HydrophobicContact CB-CD1 4.42Å; H531-L533 HydrophobicContact CB-CD2 3.77Å; H531-L533 HydrophobicContact CB-CG 3.76Å; H531-L533 PolarHBondContact O-N 3.1Å; L533-Y559 HydrophobicContact CB-CD1 4.48Å; L533-C561 HydrophobicContact CD2-CB 3.92Å; L533-L568 HydrophobicContact CD2-CD1 4.36Å; L533-I573 HydrophobicContact CD1-CB 4.29Å; L533-I573 HydrophobicContact CD1-CD1 3.77Å; L533-I573 HydrophobicContact CD1-CG1 3.73Å; L533-I573 HydrophobicContact CD1-CG2 3.66Å
534S83Confident82.2Confident21 Ų2159.3 Ų59.315%0.14730%0.297CS..EExtended strand (participates in β ladder)trans-107.9128.7172.8-178.60000109.5K536 Y559 Q560S534-K536 PolarHBondContact O-N 3.37Å; S534-Y559 CarbonylContact O-C 3.59Å; S534-Y559 VanDerWaalsContact O-CA 3.27Å; S534-Y559 WeakPolarHBondContact O-CA 3.42Å; S534-Q560 PolarHBondContact N-O 3.18Å; S534-Q560 PolarHBondContact O-N 3.05Å
535Y88.5Confident82.8Confident22 Ų2260 Ų609%0.08630%0.297CS..EExtended strand (participates in β ladder)trans-67.9116.2170.7-174.6-141.5000109.5D467 N520 V521 F556 G558 Y559D467-Y535 HydrophobicContact CB-CE1 4.01Å; D467-Y535 WeakPolarHBondContact OD2-CE1 3.45Å; D467-Y535 PolarHBondContact OD2-OH 3.46Å; D467-Y535 VanDerWaalsContact OD2-OH 3.1Å; N520-Y535 HydrophobicContact CB-CE1 4.46Å; V521-Y535 HydrophobicContact CG2-CD1 4.41Å; Y535-F556 AromaticContact CD1-CD1 3.5Å; Y535-F556 HydrophobicContact CD1-CD1 3.5Å; Y535-F556 AromaticContact CD1-CE1 3.96Å; Y535-F556 HydrophobicContact CD1-CE1 3.96Å; Y535-F556 HydrophobicContact CD1-CG 4.22Å; Y535-F556 HydrophobicContact CD2-CB 4.49Å; Y535-F556 HydrophobicContact CD2-CD1 4.16Å; Y535-F556 HydrophobicContact CE1-CB 3.92Å; Y535-F556 AromaticContact CE1-CD1 3.55Å; Y535-F556 HydrophobicContact CE1-CD1 3.55Å; Y535-F556 HydrophobicContact CE1-CE1 4.26Å; Y535-F556 AromaticContact CE1-CG 3.78Å; Y535-F556 HydrophobicContact CE1-CG 3.78Å; Y535-F556 HydrophobicContact CE2-CB 3.77Å; Y535-F556 HydrophobicContact CE2-CD1 4.19Å; Y535-F556 HydrophobicContact CE2-CG 4.36Å; Y535-F556 WeakPolarHBondContact CE2-O 3.24Å; Y535-F556 AromaticContact CG-CD1 3.84Å; Y535-F556 HydrophobicContact CG-CD1 3.84Å; Y535-F556 HydrophobicContact CG-CE1 4.45Å; Y535-F556 VanDerWaalsContact CZ-CB 3.47Å; Y535-F556 AromaticContact CZ-CD1 3.93Å; Y535-F556 AromaticContact CZ-CG 3.88Å; Y535-F556 WeakPolarHBondContact OH-CB 3.45Å; Y535-G558 WeakPolarHBondContact CD2-O 3.47Å; Y535-Y559 HydrophobicContact CD2-CD1 4.38Å; Y535-Y559 AromaticContact CD2-CE1 3.93Å; Y535-Y559 HydrophobicContact CD2-CE1 3.93Å; Y535-Y559 HydrophobicContact CG-CE1 4.25Å
536K85.7Confident83.3Confident77 Ų7759.5 Ų59.534%0.33530%0.295SS..EExtended strand (participates in β ladder)trans-133141.5-157.6179.8164.6-178.2163.50113.3S534 F538 F556 Q557 G558 Q560S534-K536 PolarHBondContact O-N 3.37Å; K536-F538 HydrophobicContact CB-CE2 4.07Å; K536-F538 HydrophobicContact CB-CZ 4.32Å; K536-F538 HydrophobicContact CD-CE1 4.33Å; K536-F538 HydrophobicContact CD-CZ 4.29Å; K536-F538 HydrophobicContact CG-CD2 4.46Å; K536-F538 HydrophobicContact CG-CE2 4.19Å; K536-F538 HydrophobicContact CG-CZ 4.29Å; K536-F556 WeakPolarHBondContact O-CA 3.41Å; K536-Q557 PolarHBondContact O-N 3.18Å; K536-G558 PolarHBondContact N-O 3.34Å; K536-Q560 HydrophobicContact CB-CB 4.42Å; K536-Q560 HydrophobicContact CD-CB 3.71Å; K536-Q560 HydrophobicContact CD-CG 4.47Å
537C88.7Confident84Confident53 Ų5361 Ų6136%0.35831%0.305SS..  trans-85.5128.2163.4-54.90000110.3F556C537-F556 PolarHBondContact SG-N 3.02Å
538F87.9Confident84.8Confident16 Ų1658.6 Ų58.67%0.0730%0.301CS..  trans-103.4122.5174.3-63-95.2000108.7K536 R540 T542 L551 Q557 Q560 S567K536-F538 HydrophobicContact CB-CE2 4.07Å; K536-F538 HydrophobicContact CB-CZ 4.32Å; K536-F538 HydrophobicContact CD-CE1 4.33Å; K536-F538 HydrophobicContact CD-CZ 4.29Å; K536-F538 HydrophobicContact CG-CD2 4.46Å; K536-F538 HydrophobicContact CG-CE2 4.19Å; K536-F538 HydrophobicContact CG-CZ 4.29Å; F538-R540 PolarHBondContact O-N 3.18Å; F538-T542 HydrophobicContact CD1-CG2 3.84Å; F538-T542 HydrophobicContact CE1-CG2 4.06Å; F538-L551 HydrophobicContact CD1-CD1 4.44Å; F538-L551 HydrophobicContact CD2-CD1 3.95Å; F538-L551 HydrophobicContact CE1-CD1 4.07Å; F538-L551 HydrophobicContact CE2-CD1 3.54Å; F538-L551 HydrophobicContact CG-CD1 4.39Å; F538-L551 HydrophobicContact CZ-CD1 3.59Å; F538-Q557 HydrophobicContact CD2-CB 4.26Å; F538-Q557 PolarHBondContact O-NE2 3.41Å; F538-Q560 HydrophobicContact CE1-CB 4.41Å; F538-Q560 HydrophobicContact CZ-CB 4.03Å; F538-S567 WeakPolarHBondContact CE1-OG 3.09Å
539E83.2Confident85.7Confident190 Ų19054.4 Ų54.489%0.88828%0.277SS*.SBendtrans-73.5-15.3-177.6-64.5-178167.900113.2
540R82.7Confident86.6Confident133 Ų13353.7 Ų53.750%0.50227%0.272SS..SBendtrans-129.3153.3-178.3-64.7-175.9-175.9178.50.4110.3F538 T542F538-R540 PolarHBondContact O-N 3.18Å; R540-T542 PolarHBondContact O-N 2.88Å; R540-T542 PolarHBondContact O-OG1 2.86Å
541P87.6Confident87.6Confident52 Ų5249.9 Ų49.934%0.33826%0.255SS..  trans-49.9115.7169.3-17.222.9000109.6C304 Y396 F550C304-P541 HydrophobicContact CB-CB 4.14Å; C304-P541 HydrophobicContact CB-CG 3.59Å; Y396-P541 HydrophobicContact CE2-CB 4.39Å; Y396-P541 WeakPolarHBondContact OH-CG 3.42Å; P541-F550 HydrophobicContact CB-CD1 4.24Å; P541-F550 HydrophobicContact CB-CE1 4Å
542T89.8Confident88.7Confident36 Ų3652.7 Ų52.722%0.22127%0.265CS..EExtended strand (participates in β ladder)trans-123.2137.1-174.5-58.90000108.1F538 R540 F550 L551F538-T542 HydrophobicContact CD1-CG2 3.84Å; F538-T542 HydrophobicContact CE1-CG2 4.06Å; R540-T542 PolarHBondContact O-N 2.88Å; R540-T542 PolarHBondContact O-OG1 2.86Å; T542-F550 CarbonylContact O-C 3.54Å; T542-F550 WeakPolarHBondContact O-CA 3.21Å; T542-L551 HydrophobicContact CG2-CD1 3.98Å; T542-L551 PolarHBondContact O-N 3.21Å
543E92.9Very high89.3Confident45 Ų4551.7 Ų51.721%0.2126%0.256CS..EExtended strand (participates in β ladder)trans-93.6146.6176.3-68.8174150.700110.5K300 R301 K549 F550K300-E543 IonicContact NZ-OE1 2.96Å; K300-E543 PolarHBondContact NZ-OE1 2.99Å; R301-E543 IonicContact CZ-OE2 3.68Å; R301-E543 IonicContact NE-OE2 3.87Å; R301-E543 IonicContact NH2-OE2 3.59Å; R301-E543 PolarHBondContact NH2-OE2 3.37Å; E543-K549 CarbonylContact C-O 3.29Å; E543-K549 WeakPolarHBondContact CA-O 3.28Å; E543-F550 HydrophobicContact CG-CD1 3.72Å; E543-F550 HydrophobicContact CG-CE1 3.87Å
544C92.9Very high89.6Confident0 Ų052.5 Ų52.50%026%0.261CS..  trans-72.1128.6173.5171.20000109.9S546 C547 H548 K549 L551 S567 H569C544-S546 PolarHBondContact O-N 3.33Å; C544-S546 VanDerWaalsContact O-N 3.11Å; C544-S546 PolarHBondContact SG-N 3.29Å; C544-S546 VanDerWaalsContact SG-N 3.44Å; C544-C547 PolarHBondContact O-N 3.18Å; C544-C547 VanDerWaalsContact SG-SG 3.68Å; C544-H548 VanDerWaalsContact O-CA 3.26Å; C544-H548 WeakPolarHBondContact O-CA 3.32Å; C544-H548 PolarHBondContact O-N 2.91Å; C544-K549 PolarHBondContact N-O 2.76Å; C544-L551 HydrophobicContact CB-CD2 4.05Å; C544-S567 WeakPolarHBondContact CA-O 3.45Å; C544-H569 WeakPolarHBondContact CB-CE1 3.33Å; C544-H569 WeakPolarHBondContact CB-ND1 3.24Å; C544-H569 PolarHBondContact SG-ND1 3.23Å; C544-H569 VanDerWaalsContact SG-ND1 3.37Å
545D89.8Confident90Very high80 Ų8052 Ų5243%0.42826%0.256SS..THydrogen-bonded Turntrans-67.8-11-178.9-71-65.5000113.5I566 S567D545-I566 HydrophobicContact CB-CD1 3.75Å; D545-I566 HydrophobicContact CB-CG1 3.32Å; D545-I566 WeakPolarHBondContact OD2-CA 3.2Å; D545-I566 WeakPolarHBondContact OD2-CG1 3.25Å; D545-S567 PolarHBondContact N-O 3.33Å; D545-S567 PolarHBondContact OD2-N 3.03Å
546S90.8Very high90.2Very high36 Ų3651.4 Ų51.425%0.25225%0.254SS..THydrogen-bonded Turntrans-95.3-40.9176.4-179.40000114C544 S575C544-S546 PolarHBondContact O-N 3.33Å; C544-S546 VanDerWaalsContact O-N 3.11Å; C544-S546 PolarHBondContact SG-N 3.29Å; C544-S546 VanDerWaalsContact SG-N 3.44Å; S546-S575 WeakPolarHBondContact OG-CB 3.46Å; S546-S575 PolarHBondContact OG-OG 2.81Å
547C91.4Very high90.5Very high46 Ų4648.7 Ų48.731%0.31124%0.242SC..THydrogen-bonded Turntrans-116.5-4.8-172.870.90000113.5C544 K549 H569C544-C547 PolarHBondContact O-N 3.18Å; C544-C547 VanDerWaalsContact SG-SG 3.68Å; C547-K549 HydrophobicContact CB-CG 4.36Å; C547-K549 PolarHBondContact O-N 3.21Å; C547-K549 VanDerWaalsContact O-N 3.1Å; C547-K549 VanDerWaalsContact SG-CB 3.6Å; C547-H569 PolarHBondContact SG-CE1 2.91Å; C547-H569 PolarHBondContact SG-ND1 3.32Å
548H91.3Very high90.7Very high130 Ų13046.3 Ų46.360%0.60223%0.227SC*.  trans57.919.4-178.6-50.4-65000114.5C544C544-H548 VanDerWaalsContact O-CA 3.26Å; C544-H548 WeakPolarHBondContact O-CA 3.32Å; C544-H548 PolarHBondContact O-N 2.91Å
549K93.7Very high90.9Very high42 Ų4245.8 Ų45.818%0.18322%0.224CC..  trans-94.1152.8172.7-57-53.6-173.6174.50110.9D388 D392 E543 C544 C547 L551 H569D388-K549 PolarHBondContact O-NZ 3.45Å; D388-K549 IonicContact OD1-NZ 2.66Å; D388-K549 PolarHBondContact OD1-NZ 3.29Å; D388-K549 IonicContact OD2-NZ 2.9Å; D388-K549 PolarHBondContact OD2-NZ 3.24Å; D392-K549 HydrophobicContact CB-CD 3.99Å; D392-K549 WeakPolarHBondContact OD1-CB 3.49Å; D392-K549 VanDerWaalsContact OD2-CA 3.27Å; D392-K549 WeakPolarHBondContact OD2-CA 3.49Å; E543-K549 CarbonylContact C-O 3.29Å; E543-K549 WeakPolarHBondContact CA-O 3.28Å; C544-K549 PolarHBondContact N-O 2.76Å; C547-K549 HydrophobicContact CB-CG 4.36Å; C547-K549 PolarHBondContact O-N 3.21Å; C547-K549 VanDerWaalsContact O-N 3.1Å; C547-K549 VanDerWaalsContact SG-CB 3.6Å; K549-L551 PolarHBondContact O-N 3.05Å; K549-H569 PolarHBondContact O-CE1 2.76Å
550F95.2Very high91.2Very high2 Ų238.9 Ų38.91%0.00919%0.192CC..EExtended strand (participates in β ladder)trans-59.1135.2176-71.8-57.3000111.9K300 C304 D392 L393 Y396 P541 T542 E543 R552 H569K300-F550 HydrophobicContact CD-CE2 4.16Å; K300-F550 HydrophobicContact CD-CZ 4.27Å; K300-F550 HydrophobicContact CG-CE2 4Å; K300-F550 HydrophobicContact CG-CZ 4.17Å; C304-F550 WeakPolarHBondContact SG-CZ 3.34Å; D392-F550 WeakPolarHBondContact OD2-CD2 3.47Å; D392-F550 PolarHBondContact OD2-N 2.91Å; L393-F550 HydrophobicContact CD1-CE2 4.4Å; Y396-F550 HydrophobicContact CD2-CB 3.83Å; Y396-F550 HydrophobicContact CD2-CD2 4.46Å; Y396-F550 HydrophobicContact CD2-CG 4.15Å; Y396-F550 HydrophobicContact CG-CB 4.2Å; Y396-F550 HydrophobicContact CG-CD2 4.09Å; Y396-F550 HydrophobicContact CG-CG 4.24Å; P541-F550 HydrophobicContact CB-CD1 4.24Å; P541-F550 HydrophobicContact CB-CE1 4Å; T542-F550 CarbonylContact O-C 3.54Å; T542-F550 WeakPolarHBondContact O-CA 3.21Å; E543-F550 HydrophobicContact CG-CD1 3.72Å; E543-F550 HydrophobicContact CG-CE1 3.87Å; F550-R552 WeakPolarHBondContact O-CG 3.46Å; F550-R552 PolarHBondContact O-N 3.39Å; F550-H569 PolarHBondContact O-CE1 2.97Å; F550-H569 PolarHBondContact O-NE2 3.46Å
551L95.1Very high91.2Very high2 Ų232.5 Ų32.51%0.0117%0.168CC..EExtended strand (participates in β ladder)trans-67.8109.1156.9-62.3176.1000106.5F538 T542 C544 K549 Q557 H569F538-L551 HydrophobicContact CD1-CD1 4.44Å; F538-L551 HydrophobicContact CD2-CD1 3.95Å; F538-L551 HydrophobicContact CE1-CD1 4.07Å; F538-L551 HydrophobicContact CE2-CD1 3.54Å; F538-L551 HydrophobicContact CG-CD1 4.39Å; F538-L551 HydrophobicContact CZ-CD1 3.59Å; T542-L551 HydrophobicContact CG2-CD1 3.98Å; T542-L551 PolarHBondContact O-N 3.21Å; C544-L551 HydrophobicContact CB-CD2 4.05Å; K549-L551 PolarHBondContact O-N 3.05Å; L551-Q557 HydrophobicContact CB-CB 3.79Å; L551-H569 HydrophobicContact CD2-CB 4.45Å
552R93.8Very high90.7Very high73 Ų7331.3 Ų31.328%0.27516%0.159SC..  trans-86.8144.8-160.9-54-176.1-180134.56.1112.5D392 E399 F550 Q557D392-R552 IonicContact OD1-CZ 2.63Å; D392-R552 IonicContact OD1-NE 3.46Å; D392-R552 IonicContact OD1-NH2 2.65Å; D392-R552 PolarHBondContact OD1-NH2 2.95Å; E399-R552 HydrophobicContact CB-CB 3.75Å; E399-R552 HydrophobicContact CG-CB 3.53Å; E399-R552 HydrophobicContact CG-CG 4.42Å; F550-R552 WeakPolarHBondContact O-CG 3.46Å; F550-R552 PolarHBondContact O-N 3.39Å; R552-Q557 WeakPolarHBondContact O-CB 3.4Å; R552-Q557 WeakPolarHBondContact O-CG 3.33Å
553G89.6Confident89.6Confident1 Ų132.2 Ų32.21%0.0116%0.161CC..SBendtrans97.6-171.6177.800000114.6D403 Q557D403-G553 VanDerWaalsContact OD2-CA 3.24Å; D403-G553 WeakPolarHBondContact OD2-CA 3.44Å; G553-Q557 WeakPolarHBondContact O-CG 3.29Å; G553-Q557 PolarHBondContact O-NE2 2.95Å
554L89Confident88.5Confident46 Ų4631.6 Ų31.624%0.24116%0.161CC..SBendtrans-104.4-29-173.9-65.1177.4000113.8V400 D403 C404 Q557V400-L554 HydrophobicContact CB-CG 4.49Å; V400-L554 HydrophobicContact CG1-CD1 4.2Å; V400-L554 HydrophobicContact CG1-CD2 4Å; V400-L554 HydrophobicContact CG1-CG 4.07Å; V400-L554 HydrophobicContact CG2-CD2 4.14Å; V400-L554 HydrophobicContact CG2-CG 4.35Å; D403-L554 HydrophobicContact CB-CB 4.04Å; D403-L554 HydrophobicContact CB-CD1 4.28Å; D403-L554 HydrophobicContact CB-CG 4.19Å; D403-L554 PolarHBondContact OD2-N 3.34Å; C404-L554 WeakPolarHBondContact SG-CD1 3.3Å; L554-Q557 PolarHBondContact O-NE2 2.95Å; L554-Q557 VanDerWaalsContact O-NE2 3.17Å
555F91.2Very high87.9Confident9 Ų933.2 Ų33.24%0.03918%0.178CC..SBendtrans-139.9147.3-178.365.7-71.1000110.7D403 T406 Q407 I410 I431 R435 Q557D403-F555 HydrophobicContact CB-CD1 3.94Å; D403-F555 HydrophobicContact CB-CE1 3.68Å; D403-F555 VanDerWaalsContact CG-CE1 3.49Å; D403-F555 PolarHBondContact OD2-N 3.21Å; T406-F555 HydrophobicContact CG2-CZ 3.84Å; Q407-F555 HydrophobicContact CG-CD1 4.24Å; Q407-F555 HydrophobicContact CG-CE1 3.9Å; I410-F555 HydrophobicContact CD1-CE2 4.05Å; I410-F555 HydrophobicContact CD1-CZ 4.04Å; I431-F555 HydrophobicContact CD1-CD1 4.31Å; I431-F555 HydrophobicContact CD1-CD2 4.11Å; I431-F555 HydrophobicContact CD1-CE2 4.42Å; I431-F555 HydrophobicContact CD1-CG 4.1Å; I431-F555 HydrophobicContact CG1-CD2 3.69Å; I431-F555 HydrophobicContact CG1-CE2 3.88Å; I431-F555 HydrophobicContact CG1-CG 4.19Å; I431-F555 HydrophobicContact CG1-CZ 4.46Å; R435-F555 HydrophobicContact CG-CE2 3.73Å; R435-F555 HydrophobicContact CG-CZ 4.01Å; R435-F555 PolarHBondContact NH1-O 3.1Å; R435-F555 PolarHBondContact NH2-O 3.25Å; F555-Q557 VanDerWaalsContact C-N 3.31Å; F555-Q557 PolarHBondContact O-N 3.15Å
556F91.3Very high87.7Confident10 Ų1030.3 Ų30.34%0.04416%0.163CC..  trans46.449-179.8-71.4-64.3000114.5I431 D432 G434 R435 Y535 K536 C537 G558I431-F556 WeakPolarHBondContact O-CE2 3.21Å; D432-F556 WeakPolarHBondContact O-CZ 3.48Å; G434-F556 VanDerWaalsContact CA-CE2 3.44Å; R435-F556 VanDerWaalsContact NH1-CB 3.28Å; R435-F556 PolarHBondContact NH1-O 2.94Å; Y535-F556 AromaticContact CD1-CD1 3.5Å; Y535-F556 HydrophobicContact CD1-CD1 3.5Å; Y535-F556 AromaticContact CD1-CE1 3.96Å; Y535-F556 HydrophobicContact CD1-CE1 3.96Å; Y535-F556 HydrophobicContact CD1-CG 4.22Å; Y535-F556 HydrophobicContact CD2-CB 4.49Å; Y535-F556 HydrophobicContact CD2-CD1 4.16Å; Y535-F556 HydrophobicContact CE1-CB 3.92Å; Y535-F556 AromaticContact CE1-CD1 3.55Å; Y535-F556 HydrophobicContact CE1-CD1 3.55Å; Y535-F556 HydrophobicContact CE1-CE1 4.26Å; Y535-F556 AromaticContact CE1-CG 3.78Å; Y535-F556 HydrophobicContact CE1-CG 3.78Å; Y535-F556 HydrophobicContact CE2-CB 3.77Å; Y535-F556 HydrophobicContact CE2-CD1 4.19Å; Y535-F556 HydrophobicContact CE2-CG 4.36Å; Y535-F556 WeakPolarHBondContact CE2-O 3.24Å; Y535-F556 AromaticContact CG-CD1 3.84Å; Y535-F556 HydrophobicContact CG-CD1 3.84Å; Y535-F556 HydrophobicContact CG-CE1 4.45Å; Y535-F556 VanDerWaalsContact CZ-CB 3.47Å; Y535-F556 AromaticContact CZ-CD1 3.93Å; Y535-F556 AromaticContact CZ-CG 3.88Å; Y535-F556 WeakPolarHBondContact OH-CB 3.45Å; K536-F556 WeakPolarHBondContact O-CA 3.41Å; C537-F556 PolarHBondContact SG-N 3.02Å; F556-G558 VanDerWaalsContact C-N 3.27Å; F556-G558 PolarHBondContact O-N 3.44Å
557Q93.5Very high87.7Confident21 Ų2129 Ų2910%0.09815%0.153CC..  trans-75.3-15.2-173.1-56.495.3-3500113.8K536 F538 L551 R552 G553 L554 F555K536-Q557 PolarHBondContact O-N 3.18Å; F538-Q557 HydrophobicContact CD2-CB 4.26Å; F538-Q557 PolarHBondContact O-NE2 3.41Å; L551-Q557 HydrophobicContact CB-CB 3.79Å; R552-Q557 WeakPolarHBondContact O-CB 3.4Å; R552-Q557 WeakPolarHBondContact O-CG 3.33Å; G553-Q557 WeakPolarHBondContact O-CG 3.29Å; G553-Q557 PolarHBondContact O-NE2 2.95Å; L554-Q557 PolarHBondContact O-NE2 2.95Å; L554-Q557 VanDerWaalsContact O-NE2 3.17Å; F555-Q557 VanDerWaalsContact C-N 3.31Å; F555-Q557 PolarHBondContact O-N 3.15Å
558G92.9Very high87.8Confident3 Ų326.9 Ų26.93%0.03114%0.139CC..EExtended strand (participates in β ladder)trans171.9-149.4-177.900000112.6Y535 K536 F556Y535-G558 WeakPolarHBondContact CD2-O 3.47Å; K536-G558 PolarHBondContact N-O 3.34Å; F556-G558 VanDerWaalsContact C-N 3.27Å; F556-G558 PolarHBondContact O-N 3.44Å
559Y91.7Very high87.9Confident4 Ų421.3 Ų21.32%0.01611%0.113CC..EExtended strand (participates in β ladder)trans-122.4147-172.8-56.7-93.8000110.7N520 P523 L533 S534 Y535 S567 L568 K570 I573N520-Y559 WeakPolarHBondContact O-CE1 3.23Å; N520-Y559 VanDerWaalsContact O-CZ 3.22Å; N520-Y559 PolarHBondContact O-OH 3.27Å; P523-Y559 VanDerWaalsContact CD-CE1 3.44Å; P523-Y559 HydrophobicContact CG-CD1 4.39Å; P523-Y559 HydrophobicContact CG-CE1 3.69Å; P523-Y559 HydrophobicContact CG-CE2 4.34Å; L533-Y559 HydrophobicContact CB-CD1 4.48Å; S534-Y559 CarbonylContact O-C 3.59Å; S534-Y559 VanDerWaalsContact O-CA 3.27Å; S534-Y559 WeakPolarHBondContact O-CA 3.42Å; Y535-Y559 HydrophobicContact CD2-CD1 4.38Å; Y535-Y559 AromaticContact CD2-CE1 3.93Å; Y535-Y559 HydrophobicContact CD2-CE1 3.93Å; Y535-Y559 HydrophobicContact CG-CE1 4.25Å; Y559-S567 CarbonylContact O-C 3.51Å; Y559-S567 VanDerWaalsContact O-CA 3.27Å; Y559-S567 WeakPolarHBondContact O-CA 2.98Å; Y559-L568 PolarHBondContact N-O 2.89Å; Y559-L568 PolarHBondContact O-N 3.44Å; Y559-K570 HydrophobicContact CE2-CB 3.65Å; Y559-K570 HydrophobicContact CE2-CG 3.85Å; Y559-I573 HydrophobicContact CD1-CD1 4.45Å; Y559-I573 HydrophobicContact CD2-CD1 3.77Å; Y559-I573 HydrophobicContact CD2-CG1 4.41Å; Y559-I573 HydrophobicContact CE2-CD1 3.96Å; Y559-I573 HydrophobicContact CG-CD1 4.04Å
560Q89.8Confident87.8Confident45 Ų4522.9 Ų22.921%0.2112%0.12CC..EExtended strand (participates in β ladder)trans-126.1132.2168-171.2174.457.700110.7S534 K536 F538 I562 G565 I566 S567S534-Q560 PolarHBondContact N-O 3.18Å; S534-Q560 PolarHBondContact O-N 3.05Å; K536-Q560 HydrophobicContact CB-CB 4.42Å; K536-Q560 HydrophobicContact CD-CB 3.71Å; K536-Q560 HydrophobicContact CD-CG 4.47Å; F538-Q560 HydrophobicContact CE1-CB 4.41Å; F538-Q560 HydrophobicContact CZ-CB 4.03Å; Q560-I562 PolarHBondContact O-N 2.87Å; Q560-G565 WeakPolarHBondContact CG-O 2.8Å; Q560-G565 PolarHBondContact NE2-O 2.78Å; Q560-G565 VanDerWaalsContact NE2-O 3.09Å; Q560-I566 CarbonylContact C-O 3.06Å; Q560-I566 VanDerWaalsContact CA-O 3.24Å; Q560-I566 WeakPolarHBondContact CA-O 3.37Å; Q560-S567 PolarHBondContact NE2-OG 3.27Å
561C81.3Confident87.7Confident0 Ų028.3 Ų28.30%015%0.145CC..EExtended strand (participates in β ladder)trans-70.2119.2170.1-177.70000109.5H531 A532 L533 I563 C564 G565 I566H531-C561 HydrophobicContact CB-CB 4.07Å; A532-C561 CarbonylContact O-C 3.6Å; A532-C561 VanDerWaalsContact O-CA 3.31Å; A532-C561 WeakPolarHBondContact O-CA 3.32Å; L533-C561 HydrophobicContact CD2-CB 3.92Å; C561-I563 PolarHBondContact O-N 3.03Å; C561-I563 VanDerWaalsContact O-N 3.14Å; C561-I563 PolarHBondContact SG-N 2.97Å; C561-I563 VanDerWaalsContact SG-N 3.42Å; C561-C564 WeakPolarHBondContact CB-SG 3.49Å; C561-C564 VanDerWaalsContact SG-SG 3.62Å; C561-G565 WeakPolarHBondContact O-CA 2.61Å; C561-G565 PolarHBondContact O-N 3.29Å; C561-I566 HydrophobicContact CB-CG2 3.7Å; C561-I566 PolarHBondContact N-O 3.21Å
562I77Confident87.6Confident27 Ų2728.9 Ų28.914%0.13815%0.149CC..THydrogen-bonded Turntrans-66.9-15.2178.565.7175.8000113.1A532 Q560 Y635 F649A532-I562 HydrophobicContact CB-CD1 3.96Å; A532-I562 HydrophobicContact CB-CG1 3.69Å; A532-I562 WeakPolarHBondContact O-CG1 2.81Å; A532-I562 PolarHBondContact O-N 2.94Å; Q560-I562 PolarHBondContact O-N 2.87Å; I562-Y635 HydrophobicContact CD1-CD1 3.95Å; I562-Y635 HydrophobicContact CD1-CD2 3.71Å; I562-Y635 HydrophobicContact CD1-CE1 3.55Å; I562-Y635 HydrophobicContact CD1-CE2 3.29Å; I562-Y635 HydrophobicContact CD1-CG 4.02Å; I562-F649 HydrophobicContact CB-CZ 4.19Å; I562-F649 HydrophobicContact CD1-CZ 4.08Å; I562-F649 HydrophobicContact CG2-CZ 4.21Å
563I67.1Low87.4Confident54 Ų5425.4 Ų25.428%0.27714%0.136SC..THydrogen-bonded Turntrans-90.4-56.4-178.4-56.4172.9000111.1A532 C561 R581A532-I563 HydrophobicContact CB-CD1 3.78Å; A532-I563 HydrophobicContact CB-CG1 4.04Å; C561-I563 PolarHBondContact O-N 3.03Å; C561-I563 VanDerWaalsContact O-N 3.14Å; C561-I563 PolarHBondContact SG-N 2.97Å; C561-I563 VanDerWaalsContact SG-N 3.42Å; I563-R581 WeakPolarHBondContact O-CD 3.48Å; I563-R581 VanDerWaalsContact O-CZ 3.27Å; I563-R581 PolarHBondContact O-NE 2.84Å; I563-R581 PolarHBondContact O-NH1 3.24Å
564C70.9Confident87.3Confident32 Ų3232.1 Ų32.122%0.21617%0.165CC..THydrogen-bonded Turntrans-98.1-16.9-176.565.70000114.4H531 C561 I566 R581H531-C564 VanDerWaalsContact CE1-SG 3.57Å; H531-C564 PolarHBondContact ND1-SG 2.89Å; H531-C564 VanDerWaalsContact ND1-SG 3.35Å; C561-C564 WeakPolarHBondContact CB-SG 3.49Å; C561-C564 VanDerWaalsContact SG-SG 3.62Å; C564-I566 VanDerWaalsContact C-N 3.34Å; C564-I566 VanDerWaalsContact SG-CG2 3.51Å; C564-R581 HydrophobicContact CB-CG 4.15Å
565G80.6Confident87Confident34 Ų3433 Ų3335%0.35118%0.175SC..  trans84.9-0.7-178.800000115.2Q560 C561 S567Q560-G565 WeakPolarHBondContact CG-O 2.8Å; Q560-G565 PolarHBondContact NE2-O 2.78Å; Q560-G565 VanDerWaalsContact NE2-O 3.09Å; C561-G565 WeakPolarHBondContact O-CA 2.61Å; C561-G565 PolarHBondContact O-N 3.29Å; G565-S567 PolarHBondContact O-OG 3.16Å
566I84.2Confident86.6Confident20 Ų2035.6 Ų35.610%0.10319%0.188CC..  trans-59.6137.6178.7-158.8176.7000110.6D545 Q560 C561 C564 L568 M576D545-I566 HydrophobicContact CB-CD1 3.75Å; D545-I566 HydrophobicContact CB-CG1 3.32Å; D545-I566 WeakPolarHBondContact OD2-CA 3.2Å; D545-I566 WeakPolarHBondContact OD2-CG1 3.25Å; Q560-I566 CarbonylContact C-O 3.06Å; Q560-I566 VanDerWaalsContact CA-O 3.24Å; Q560-I566 WeakPolarHBondContact CA-O 3.37Å; C561-I566 HydrophobicContact CB-CG2 3.7Å; C561-I566 PolarHBondContact N-O 3.21Å; C564-I566 VanDerWaalsContact C-N 3.34Å; C564-I566 VanDerWaalsContact SG-CG2 3.51Å; I566-L568 HydrophobicContact CD1-CD1 4.47Å; I566-L568 HydrophobicContact CD1-CD2 4.01Å; I566-L568 HydrophobicContact CD1-CG 4.41Å; I566-L568 HydrophobicContact CG1-CD2 4.18Å; I566-L568 HydrophobicContact CG1-CG 4.3Å; I566-L568 HydrophobicContact CG2-CD1 4.08Å; I566-L568 HydrophobicContact CG2-CG 4.3Å; I566-M576 HydrophobicContact CD1-CB 4.28Å; I566-M576 HydrophobicContact CD1-CE 3.31Å; I566-M576 HydrophobicContact CD1-CG 3.97Å; I566-M576 HydrophobicContact CD1-SD 4.48Å
567S91.6Very high85.8Confident8 Ų839.1 Ų39.16%0.05621%0.206CC..EExtended strand (participates in β ladder)trans-115.1126.2-176.8-48.10000109.4F538 C544 D545 Y559 Q560 G565F538-S567 WeakPolarHBondContact CE1-OG 3.09Å; C544-S567 WeakPolarHBondContact CA-O 3.45Å; D545-S567 PolarHBondContact N-O 3.33Å; D545-S567 PolarHBondContact OD2-N 3.03Å; Y559-S567 CarbonylContact O-C 3.51Å; Y559-S567 VanDerWaalsContact O-CA 3.27Å; Y559-S567 WeakPolarHBondContact O-CA 2.98Å; Q560-S567 PolarHBondContact NE2-OG 3.27Å; G565-S567 PolarHBondContact O-OG 3.16Å
568L92.4Very high84.7Confident1 Ų141.2 Ų41.21%0.00523%0.227CC..EExtended strand (participates in β ladder)trans-138.2143.4-167.7-61.7171.8000112L533 Y559 I566 C572 M576L533-L568 HydrophobicContact CD2-CD1 4.36Å; Y559-L568 PolarHBondContact N-O 2.89Å; Y559-L568 PolarHBondContact O-N 3.44Å; I566-L568 HydrophobicContact CD1-CD1 4.47Å; I566-L568 HydrophobicContact CD1-CD2 4.01Å; I566-L568 HydrophobicContact CD1-CG 4.41Å; I566-L568 HydrophobicContact CG1-CD2 4.18Å; I566-L568 HydrophobicContact CG1-CG 4.3Å; I566-L568 HydrophobicContact CG2-CD1 4.08Å; I566-L568 HydrophobicContact CG2-CG 4.3Å; L568-C572 HydrophobicContact CD2-CB 4.43Å; L568-M576 HydrophobicContact CD1-CB 3.96Å; L568-M576 HydrophobicContact CD1-CG 4.31Å; L568-M576 HydrophobicContact CD2-CB 4.36Å; L568-M576 HydrophobicContact CD2-CG 3.79Å
569H94Very high83.7Confident14 Ų1441.4 Ų41.47%0.06523%0.227CC..  trans-66.5157.8161.1-59100.7000110.4C544 C547 K549 F550 L551 E571 C572 I573C544-H569 WeakPolarHBondContact CB-CE1 3.33Å; C544-H569 WeakPolarHBondContact CB-ND1 3.24Å; C544-H569 PolarHBondContact SG-ND1 3.23Å; C544-H569 VanDerWaalsContact SG-ND1 3.37Å; C547-H569 PolarHBondContact SG-CE1 2.91Å; C547-H569 PolarHBondContact SG-ND1 3.32Å; K549-H569 PolarHBondContact O-CE1 2.76Å; F550-H569 PolarHBondContact O-CE1 2.97Å; F550-H569 PolarHBondContact O-NE2 3.46Å; L551-H569 HydrophobicContact CD2-CB 4.45Å; H569-E571 VanDerWaalsContact C-N 3.26Å; H569-E571 HydrophobicContact CB-CG 4.13Å; H569-E571 PolarHBondContact O-N 2.84Å; H569-C572 HydrophobicContact CB-CB 4.08Å; H569-C572 PolarHBondContact O-N 3.05Å; H569-I573 PolarHBondContact O-N 2.75Å
570K92.4Very high81.8Confident74 Ų7444.5 Ų44.532%0.32226%0.261SS..G310 helixtrans-52.7-46.3175.9-164.6174.6-178.2-179.50111.8D519 N520 P523 Y559 C572 I573D519-K570 WeakPolarHBondContact O-CE 3.2Å; D519-K570 PolarHBondContact O-NZ 3.46Å; N520-K570 PolarHBondContact OD1-NZ 2.97Å; P523-K570 HydrophobicContact CB-CG 4.26Å; Y559-K570 HydrophobicContact CE2-CB 3.65Å; Y559-K570 HydrophobicContact CE2-CG 3.85Å; K570-C572 VanDerWaalsContact C-N 3.3Å; K570-C572 PolarHBondContact O-N 3.16Å; K570-I573 WeakPolarHBondContact O-CG1 3.48Å; K570-I573 PolarHBondContact O-N 3.49Å
571E91.9Very high80Confident117 Ų11747.3 Ų47.355%0.54727%0.269SS..G310 helixtrans-72.3-19.2179.761-89.9-153.800114H569 K574H569-E571 VanDerWaalsContact C-N 3.26Å; H569-E571 HydrophobicContact CB-CG 4.13Å; H569-E571 PolarHBondContact O-N 2.84Å; E571-K574 WeakPolarHBondContact O-CE 3.24Å; E571-K574 WeakPolarHBondContact O-CG 3.37Å
572C92.8Very high77.9Confident14 Ų1453.4 Ų53.410%0.09529%0.292CS..G310 helixtrans-91.8-3.8178.2-69.20000113.1L568 H569 K570 K574 S575L568-C572 HydrophobicContact CD2-CB 4.43Å; H569-C572 HydrophobicContact CB-CB 4.08Å; H569-C572 PolarHBondContact O-N 3.05Å; K570-C572 VanDerWaalsContact C-N 3.3Å; K570-C572 PolarHBondContact O-N 3.16Å; C572-K574 PolarHBondContact O-N 2.91Å; C572-S575 PolarHBondContact O-N 2.85Å; C572-S575 PolarHBondContact O-OG 2.85Å
573I89.6Confident75.9Confident0 Ų059.1 Ų59.10%032%0.324CS..G310 helixtrans-59.7-39.9174.8-65.9174.3000110.5P523 A526 T529 L533 Y559 H569 K570 S575 M576P523-I573 HydrophobicContact CB-CD1 4.19Å; P523-I573 HydrophobicContact CG-CD1 3.33Å; A526-I573 HydrophobicContact CB-CG2 4.38Å; T529-I573 HydrophobicContact CG2-CG2 3.8Å; L533-I573 HydrophobicContact CD1-CB 4.29Å; L533-I573 HydrophobicContact CD1-CD1 3.77Å; L533-I573 HydrophobicContact CD1-CG1 3.73Å; L533-I573 HydrophobicContact CD1-CG2 3.66Å; Y559-I573 HydrophobicContact CD1-CD1 4.45Å; Y559-I573 HydrophobicContact CD2-CD1 3.77Å; Y559-I573 HydrophobicContact CD2-CG1 4.41Å; Y559-I573 HydrophobicContact CE2-CD1 3.96Å; Y559-I573 HydrophobicContact CG-CD1 4.04Å; H569-I573 PolarHBondContact O-N 2.75Å; K570-I573 WeakPolarHBondContact O-CG1 3.48Å; K570-I573 PolarHBondContact O-N 3.49Å; I573-S575 PolarHBondContact O-N 2.91Å; I573-M576 PolarHBondContact O-N 3.01Å
574K87Confident74.4Confident142 Ų14262.2 Ų62.262%0.61735%0.345SS*.G310 helixtrans-70.4-12.4-177.471.7-173.4176.9-1790114.7E571 C572 M577E571-K574 WeakPolarHBondContact O-CE 3.24Å; E571-K574 WeakPolarHBondContact O-CG 3.37Å; C572-K574 PolarHBondContact O-N 2.91Å; K574-M577 VanDerWaalsContact C-CE 3.42Å; K574-M577 VanDerWaalsContact CA-CE 3.48Å; K574-M577 HydrophobicContact CB-CE 4.21Å; K574-M577 WeakPolarHBondContact O-CE 3.41Å
575S84.4Confident72.7Confident64 Ų6466.9 Ų66.945%0.44837%0.367SS..G310 helixtrans-91-17.3176.440.80000112.7S546 C572 I573S546-S575 WeakPolarHBondContact OG-CB 3.46Å; S546-S575 PolarHBondContact OG-OG 2.81Å; C572-S575 PolarHBondContact O-N 2.85Å; C572-S575 PolarHBondContact O-OG 2.85Å; I573-S575 PolarHBondContact O-N 2.91Å
576M81.4Confident70.3Confident63 Ų6370.6 Ų70.631%0.3138%0.378SS..  trans-117.384.9-176.8-61.7-57.5-85.400110.6H531 I566 L568 I573H531-M576 PolarHBondContact CD2-O 3.33Å; H531-M576 PolarHBondContact NE2-O 3.44Å; I566-M576 HydrophobicContact CD1-CB 4.28Å; I566-M576 HydrophobicContact CD1-CE 3.31Å; I566-M576 HydrophobicContact CD1-CG 3.97Å; I566-M576 HydrophobicContact CD1-SD 4.48Å; L568-M576 HydrophobicContact CD1-CB 3.96Å; L568-M576 HydrophobicContact CD1-CG 4.31Å; L568-M576 HydrophobicContact CD2-CB 4.36Å; L568-M576 HydrophobicContact CD2-CG 3.79Å; I573-M576 PolarHBondContact O-N 3.01Å
577M75.5Confident67.6Low84 Ų8481.1 Ų81.141%0.41442%0.417SS..  trans-80-39.1-174.9-68.8-69.6144.200113.5T529 E530 K574T529-M577 HydrophobicContact CG2-CE 4.28Å; T529-M577 HydrophobicContact CG2-SD 4.06Å; E530-M577 PolarHBondContact N-O 3.01Å; K574-M577 VanDerWaalsContact C-CE 3.42Å; K574-M577 VanDerWaalsContact CA-CE 3.48Å; K574-M577 HydrophobicContact CB-CE 4.21Å; K574-M577 WeakPolarHBondContact O-CE 3.41Å
578A71.1Confident64.4Low66 Ų6685 Ų8555%0.54544%0.444SS..SBendtrans-100.9130.9-170.100000112.4H531 G580H531-A578 PolarHBondContact CE1-O 3.45Å; H531-A578 PolarHBondContact NE2-O 2.87Å; A578-G580 PolarHBondContact O-N 3.24Å; A578-G580 VanDerWaalsContact O-N 3.12Å
579C70Confident61.2Low6 Ų690.8 Ų90.84%0.04148%0.481CS..  trans-8493.9176.5179.20000109.2E530 H531 R581 R582E530-C579 HydrophobicContact CB-CB 3.87Å; E530-C579 WeakPolarHBondContact O-CB 3.35Å; E530-C579 PolarHBondContact OE2-N 3.45Å; E530-C579 VanDerWaalsContact OE2-N 3.12Å; H531-C579 VanDerWaalsContact CE1-CA 3.49Å; H531-C579 WeakPolarHBondContact CE1-CA 3.47Å; C579-R581 PolarHBondContact O-N 2.53Å; C579-R582 PolarHBondContact O-N 3.28Å
580G53.8Low58Low70 Ų7095.1 Ų95.172%0.72251%0.509SS*.THydrogen-bonded Turntrans-56.68.8-172.100000118.7A578A578-G580 PolarHBondContact O-N 3.24Å; A578-G580 VanDerWaalsContact O-N 3.12Å
581R51.1Low55Low103 Ų10396.8 Ų96.839%0.38952%0.521SS..THydrogen-bonded Turntrans-91.9-6.2165-76.7-168.1-177.1-177.3-4.4114I563 C564 C579 D583 L585I563-R581 WeakPolarHBondContact O-CD 3.48Å; I563-R581 VanDerWaalsContact O-CZ 3.27Å; I563-R581 PolarHBondContact O-NE 2.84Å; I563-R581 PolarHBondContact O-NH1 3.24Å; C564-R581 HydrophobicContact CB-CG 4.15Å; C579-R581 PolarHBondContact O-N 2.53Å; R581-D583 VanDerWaalsContact C-N 3.28Å; R581-D583 PolarHBondContact O-N 2.94Å; R581-L585 PolarHBondContact O-N 3.45Å
582R37.9Very low52.1Low128 Ų12899.3 Ų99.348%0.48354%0.537SS..Hα-helixtrans-64.3-32.2178.5-102.8179.1179.5165.84.1112.4E530 C579 T584 L585 L586E530-R582 IonicContact OE1-CZ 3.57Å; E530-R582 IonicContact OE1-NH1 2.82Å; E530-R582 PolarHBondContact OE1-NH1 3.05Å; E530-R582 IonicContact OE2-NH1 3.04Å; C579-R582 PolarHBondContact O-N 3.28Å; R582-T584 VanDerWaalsContact C-N 3.32Å; R582-T584 PolarHBondContact O-N 3.08Å; R582-L585 PolarHBondContact O-N 3.35Å; R582-L585 VanDerWaalsContact O-N 3.16Å; R582-L586 HydrophobicContact CB-CD1 3.67Å; R582-L586 HydrophobicContact CB-CG 4.29Å; R582-L586 HydrophobicContact CG-CD1 4.03Å; R582-L586 HydrophobicContact CG-CG 4.35Å; R582-L586 VanDerWaalsContact O-CB 3.22Å; R582-L586 WeakPolarHBondContact O-CB 3.34Å; R582-L586 WeakPolarHBondContact O-CD1 3.29Å; R582-L586 WeakPolarHBondContact O-CG 3.37Å; R582-L586 PolarHBondContact O-N 3.02Å
583D35Very low49.6Very low148 Ų148108.2 Ų108.279%0.79158%0.578SS**Hα-helixtrans-70.8-18.4-176.7-103.4-20.8000115.8R581R581-D583 VanDerWaalsContact C-N 3.28Å; R581-D583 PolarHBondContact O-N 2.94Å
584T34.8Very low47.8Very low119 Ų119110.3 Ų110.373%0.7360%0.599SS**Hα-helixtrans-99.2-12.4171.239.20000114R582R582-T584 VanDerWaalsContact C-N 3.32Å; R582-T584 PolarHBondContact O-N 3.08Å
585L34.3Very low46.4Very low129 Ų129104.1 Ų104.168%0.67558%0.575SS**Hα-helixtrans-99.6-11.3176.7-65.3175.4000113.6R581 R582R581-L585 PolarHBondContact O-N 3.45Å; R582-L585 PolarHBondContact O-N 3.35Å; R582-L585 VanDerWaalsContact O-N 3.16Å
586L31.4Very low46.1Very low112 Ų112105 Ų10559%0.58657%0.573SS**THydrogen-bonded Turntrans-89.33-176.1-77.8168.4000116.1R582 S588R582-L586 HydrophobicContact CB-CD1 3.67Å; R582-L586 HydrophobicContact CB-CG 4.29Å; R582-L586 HydrophobicContact CG-CD1 4.03Å; R582-L586 HydrophobicContact CG-CG 4.35Å; R582-L586 VanDerWaalsContact O-CB 3.22Å; R582-L586 WeakPolarHBondContact O-CB 3.34Å; R582-L586 WeakPolarHBondContact O-CD1 3.29Å; R582-L586 WeakPolarHBondContact O-CG 3.37Å; R582-L586 PolarHBondContact O-N 3.02Å; L586-S588 VanDerWaalsContact C-N 3.33Å; L586-S588 PolarHBondContact O-N 3.35Å
587R26.7Very low46.4Very low242 Ų242104.8 Ų104.891%0.91357%0.57SS**THydrogen-bonded Turntrans-87.612.4173.3-85.8-167.1-177.2-139.42.1115.8
588S25.7Very low47.2Very low89 Ų89101.4 Ų101.462%0.62255%0.552SS**SBendtrans-113.2103.2161.5-1590000109.8L586 T590L586-S588 VanDerWaalsContact C-N 3.33Å; L586-S588 PolarHBondContact O-N 3.35Å; S588-T590 PolarHBondContact O-N 3.1Å
589P24.4Very low48.2Very low122 Ų12299 Ų9979%0.79253%0.531SS*.THydrogen-bonded Turntrans-71.996.8177.928.5-29.9000108.3
590T26.4Very low49.1Very low106 Ų10698.8 Ų98.865%0.6553%0.529SS*.THydrogen-bonded Turntrans-160.7-4.6161.6-1.30000117.2S588S588-T590 PolarHBondContact O-N 3.1Å
591L29.3Very low50.8Low108 Ų10899.1 Ų99.157%0.56551%0.514SS*.  trans-13954.8-169.9-65.8175000114.6G594L591-G594 WeakPolarHBondContact CD2-O 3.32Å
592L31.4Very low52.4Low170 Ų17095.7 Ų95.789%0.8951%0.508SS*.SBend-81.3134.9128.3-75151.1000105.3G594L592-G594 VanDerWaalsContact C-N 3.34Å; L592-G594 PolarHBondContact O-N 3.43Å
593E41.4Very low54.7Low202 Ų20293.4 Ų93.494%0.94451%0.509SS*.SBendtrans68.6-22.2-179.5-62.8-171.915000120.5
594G50.5Low57Low44 Ų4486.9 Ų86.945%0.45447%0.474SS..  trans-100.96.4-169.700000118.9L591 L592 Q596L591-G594 WeakPolarHBondContact CD2-O 3.32Å; L592-G594 VanDerWaalsContact C-N 3.34Å; L592-G594 PolarHBondContact O-N 3.43Å; G594-Q596 PolarHBondContact O-N 3.42Å
595G57.3Low59Low11 Ų1188.5 Ų88.511%0.11348%0.475CS..  trans-43.3131.8-156.900000113.6K597G595-K597 WeakPolarHBondContact O-CG 3.46Å; G595-K597 PolarHBondContact O-N 3.16Å
596Q78.6Confident60.4Low84 Ų8483.3 Ų83.339%0.39345%0.452SS..  trans-58.1113.1-166-160.2142.260.400110.9G594 Y598 L623 K657G594-Q596 PolarHBondContact O-N 3.42Å; Q596-Y598 HydrophobicContact CB-CE2 4.18Å; Q596-Y598 HydrophobicContact CG-CE2 4.05Å; Q596-Y598 VanDerWaalsContact O-CD2 3.3Å; Q596-Y598 WeakPolarHBondContact O-CD2 3.37Å; Q596-L623 WeakPolarHBondContact O-CB 3.44Å; Q596-L623 PolarHBondContact O-N 2.82Å; Q596-K657 VanDerWaalsContact OE1-CE 3.26Å
597K88.7Confident61.7Low58 Ų5886.9 Ų86.925%0.25247%0.466SS..EExtended strand (participates in β ladder)trans-83.9137.5-176.9-64.8-179.6-178.7-1790110.9G595 V620 I621 Y639 Q658G595-K597 WeakPolarHBondContact O-CG 3.46Å; G595-K597 PolarHBondContact O-N 3.16Å; K597-V620 HydrophobicContact CB-CG1 3.83Å; K597-V620 HydrophobicContact CD-CG1 3.98Å; K597-V620 HydrophobicContact CG-CG1 4.15Å; K597-I621 WeakPolarHBondContact CA-O 3.42Å; K597-Y639 HydrophobicContact CD-CD1 4.18Å; K597-Y639 HydrophobicContact CD-CE1 4.32Å; K597-Y639 VanDerWaalsContact CE-CZ 3.48Å; K597-Y639 PolarHBondContact NZ-OH 3.5Å; K597-Q658 HydrophobicContact CB-CB 4.34Å; K597-Q658 PolarHBondContact O-N 2.92Å; K597-Q658 VanDerWaalsContact O-N 3.07Å
598Y91.5Very high63.1Low12 Ų1277.2 Ų77.25%0.04744%0.441CS..EExtended strand (participates in β ladder)trans-121.2150173.7-66.9-108.4000108.7Q596 V620 I621 L623 R626 W634 V655 R656 K657Q596-Y598 HydrophobicContact CB-CE2 4.18Å; Q596-Y598 HydrophobicContact CG-CE2 4.05Å; Q596-Y598 VanDerWaalsContact O-CD2 3.3Å; Q596-Y598 WeakPolarHBondContact O-CD2 3.37Å; Y598-V620 CarbonylContact O-C 3.53Å; Y598-V620 WeakPolarHBondContact O-CA 3.47Å; Y598-I621 PolarHBondContact N-O 2.93Å; Y598-I621 PolarHBondContact O-N 2.95Å; Y598-L623 HydrophobicContact CD2-CB 3.89Å; Y598-L623 HydrophobicContact CD2-CD2 4.41Å; Y598-L623 HydrophobicContact CE2-CB 3.75Å; Y598-L623 HydrophobicContact CE2-CD2 3.52Å; Y598-L623 HydrophobicContact CE2-CG 4.26Å; Y598-R626 PolarHBondContact OH-NH2 3.43Å; Y598-W634 AromaticContact CD1-CZ3 3.91Å; Y598-W634 HydrophobicContact CD1-CZ3 3.91Å; Y598-W634 AromaticContact CE1-CH2 3.76Å; Y598-W634 HydrophobicContact CE1-CH2 3.76Å; Y598-W634 AromaticContact CE1-CZ3 3.34Å; Y598-W634 HydrophobicContact CE1-CZ3 3.34Å; Y598-W634 HydrophobicContact CE2-CZ3 4.08Å; Y598-W634 HydrophobicContact CG-CZ3 4.48Å; Y598-W634 AromaticContact CZ-CH2 3.84Å; Y598-W634 AromaticContact CZ-CZ3 3.44Å; Y598-W634 VanDerWaalsContact CZ-CZ3 3.44Å; Y598-V655 HydrophobicContact CD1-CB 4.34Å; Y598-V655 HydrophobicContact CD1-CG2 3.55Å; Y598-V655 HydrophobicContact CE1-CG2 4.43Å; Y598-V655 HydrophobicContact CG-CB 4.39Å; Y598-V655 HydrophobicContact CG-CG2 3.8Å; Y598-R656 CarbonylContact C-O 3.45Å; Y598-R656 WeakPolarHBondContact CA-O 3.48Å; Y598-R656 WeakPolarHBondContact CB-O 3.33Å; Y598-K657 HydrophobicContact CD1-CB 4.44Å; Y598-K657 HydrophobicContact CD1-CG 3.99Å; Y598-K657 HydrophobicContact CE1-CB 4.33Å; Y598-K657 HydrophobicContact CE1-CG 3.48Å; Y598-K657 VanDerWaalsContact CE1-CG 3.48Å; Y598-K657 HydrophobicContact CE2-CG 4.37Å
599V91.5Very high64.7Low16 Ų1674.7 Ų74.710%0.09743%0.43CS..EExtended strand (participates in β ladder)trans-104.2129.7174.8-179.30000107.4I601 D619 V655 R656 Q658 V661V599-I601 PolarHBondContact O-N 3.1Å; V599-D619 CarbonylContact C-O 3.53Å; V599-D619 WeakPolarHBondContact CA-O 3.44Å; V599-V655 CarbonylContact O-C 3.54Å; V599-V655 VanDerWaalsContact O-CA 3.31Å; V599-V655 WeakPolarHBondContact O-CA 3.42Å; V599-R656 PolarHBondContact N-O 3.13Å; V599-R656 PolarHBondContact O-N 3.48Å; V599-Q658 HydrophobicContact CG2-CB 4.01Å; V599-Q658 HydrophobicContact CG2-CG 3.85Å; V599-V661 HydrophobicContact CB-CG2 4.24Å; V599-V661 HydrophobicContact CG2-CG2 4.11Å
600A89.6Confident66.3Low1 Ų172.5 Ų72.51%0.00842%0.415CS..EExtended strand (participates in β ladder)trans-60.2123.917300000109.8F615 K616 N618 D619 I621 Y654A600-F615 HydrophobicContact CB-CD2 3.4Å; A600-F615 HydrophobicContact CB-CE2 3.62Å; A600-F615 HydrophobicContact CB-CG 4.41Å; A600-K616 WeakPolarHBondContact CB-O 3.43Å; A600-N618 WeakPolarHBondContact O-CA 3.45Å; A600-N618 PolarHBondContact O-N 2.95Å; A600-D619 HydrophobicContact CB-CB 4.31Å; A600-D619 WeakPolarHBondContact CB-O 3.36Å; A600-D619 PolarHBondContact N-O 3.2Å; A600-I621 HydrophobicContact CB-CD1 4.04Å; A600-Y654 CarbonylContact C-O 3.59Å; A600-Y654 VanDerWaalsContact CA-O 3.31Å; A600-Y654 WeakPolarHBondContact CA-O 3.46Å
601I90.6Very high68.4Low77 Ų7769.9 Ų69.940%0.39540%0.398SS..SBendtrans-97.2-5.8178.861.4171.5000112.8V599 E653 Y654 R656V599-I601 PolarHBondContact O-N 3.1Å; I601-E653 WeakPolarHBondContact CD1-O 3.39Å; I601-Y654 WeakPolarHBondContact CG1-O 3.23Å; I601-Y654 PolarHBondContact N-O 3.26Å; I601-R656 HydrophobicContact CG2-CB 3.6Å
602A84.7Confident70.9Confident32 Ų3265.1 Ų65.126%0.26437%0.372SS..SBendtrans-156.5158.1173.200000108.3Y654A602-Y654 HydrophobicContact CB-CD1 4.09Å
603P84.3Confident73.3Confident79 Ų7957 Ų5751%0.51333%0.33SS..  trans-61.1139.7170.6-12.626.2000110.1F615 Y654P603-F615 CarbonylContact C-O 3.56Å; P603-F615 WeakPolarHBondContact CA-O 3.49Å; P603-Y654 WeakPolarHBondContact O-CD1 3.5Å; P603-Y654 WeakPolarHBondContact O-CE1 3.39Å
604Y83.4Confident75.4Confident12 Ų1249 Ų495%0.04730%0.296CS..BIsolated β-bridgetrans-124.3113.7172.5-175-106.9000107.2F612 L613 S614 F615 Y633 F649 F650 L651 Y654Y604-F612 WeakPolarHBondContact OH-CD1 3.35Å; Y604-L613 WeakPolarHBondContact CD1-O 3.49Å; Y604-L613 VanDerWaalsContact CE1-O 3.22Å; Y604-L613 WeakPolarHBondContact CE1-O 3.24Å; Y604-S614 CarbonylContact O-C 3.59Å; Y604-S614 WeakPolarHBondContact O-CA 3.43Å; Y604-F615 HydrophobicContact CD1-CD1 4.26Å; Y604-F615 AromaticContact CD1-CE1 3.64Å; Y604-F615 HydrophobicContact CD1-CE1 3.64Å; Y604-F615 AromaticContact CD1-CZ 3.87Å; Y604-F615 HydrophobicContact CD1-CZ 3.87Å; Y604-F615 AromaticContact CG-CE1 3.97Å; Y604-F615 HydrophobicContact CG-CE1 3.97Å; Y604-F615 HydrophobicContact CG-CE2 4.2Å; Y604-F615 AromaticContact CG-CZ 3.71Å; Y604-F615 HydrophobicContact CG-CZ 3.71Å; Y604-F615 PolarHBondContact N-O 2.96Å; Y604-F615 PolarHBondContact O-N 2.92Å; Y604-Y633 WeakPolarHBondContact OH-CE1 3.35Å; Y604-F649 WeakPolarHBondContact CE1-O 3.49Å; Y604-F650 HydrophobicContact CD1-CB 3.83Å; Y604-F650 HydrophobicContact CE1-CB 3.67Å; Y604-L651 HydrophobicContact CE2-CB 4.34Å; Y604-L651 HydrophobicContact CE2-CD1 4.2Å; Y604-L651 HydrophobicContact CE2-CG 4.32Å; Y604-Y654 AromaticContact CD2-CD1 3.72Å; Y604-Y654 HydrophobicContact CD2-CD1 3.72Å; Y604-Y654 AromaticContact CD2-CD2 3.67Å; Y604-Y654 HydrophobicContact CD2-CD2 3.67Å; Y604-Y654 AromaticContact CD2-CE1 3.85Å; Y604-Y654 HydrophobicContact CD2-CE1 3.85Å; Y604-Y654 AromaticContact CD2-CE2 3.81Å; Y604-Y654 HydrophobicContact CD2-CE2 3.81Å; Y604-Y654 AromaticContact CD2-CG 3.62Å; Y604-Y654 HydrophobicContact CD2-CG 3.62Å; Y604-Y654 AromaticContact CD2-CZ 3.9Å; Y604-Y654 HydrophobicContact CE2-CD2 4.1Å; Y604-Y654 HydrophobicContact CE2-CE2 4.06Å; Y604-Y654 HydrophobicContact CE2-CG 4.49Å; Y604-Y654 HydrophobicContact CG-CD1 4.26Å; Y604-Y654 HydrophobicContact CG-CG 4.22Å
605M77.7Confident77.2Confident153 Ų15347.1 Ų47.175%0.75428%0.275SS*.  trans-98.6129.4169.8-72.6-172.1-68.800107.1E607M605-E607 VanDerWaalsContact C-N 3.32Å; M605-E607 WeakPolarHBondContact O-CG 3.16Å; M605-E607 PolarHBondContact O-N 2.82Å
606G64.7Low78.6Confident19 Ų1952.1 Ų52.120%0.19629%0.294CS..  trans-63.485.1-177.600000113G608 S614G606-G608 PolarHBondContact O-N 3.27Å; G606-S614 PolarHBondContact N-OG 3.36Å; G606-S614 VanDerWaalsContact N-OG 3.14Å
607E58.3Low79Confident188 Ų18853.3 Ų53.388%0.87930%0.3SS*.THydrogen-bonded Turntrans-67.2-0.6-175-68.4-168.7159.900114.5M605M605-E607 VanDerWaalsContact C-N 3.32Å; M605-E607 WeakPolarHBondContact O-CG 3.16Å; M605-E607 PolarHBondContact O-N 2.82Å
608G56.4Low78.9Confident38 Ų3856 Ų5639%0.39232%0.316SS..THydrogen-bonded Turntrans-120.515.4-174.100000116.1G606 F612G606-G608 PolarHBondContact O-N 3.27Å; G608-F612 VanDerWaalsContact CA-CD2 3.49Å; G608-F612 WeakPolarHBondContact O-CD2 3.39Å; G608-F612 WeakPolarHBondContact O-CE2 3.34Å
609G58.4Low78.9Confident37 Ų3756.1 Ų56.138%0.38132%0.318SS..  trans105.8-173.6179.600000114D611 F612G609-D611 PolarHBondContact O-N 2.93Å; G609-D611 VanDerWaalsContact O-N 3.09Å; G609-F612 WeakPolarHBondContact O-CD2 3.33Å; G609-F612 PolarHBondContact O-N 3.01Å; G609-F612 VanDerWaalsContact O-N 3.12Å
610P57.3Low78.8Confident75 Ų7555.8 Ų55.849%0.48732%0.316SS..THydrogen-bonded Turntrans-66.4-15.5-168.925.9-34.8000114.4F612P610-F612 PolarHBondContact O-N 3.07Å
611D70.7Confident78.8Confident52 Ų5255.7 Ų55.728%0.27832%0.316SS..THydrogen-bonded Turntrans-75.5-6.6177.4-54.2-23.3000112.7G609 G648 F649G609-D611 PolarHBondContact O-N 2.93Å; G609-D611 VanDerWaalsContact O-N 3.09Å; D611-G648 CarbonylContact O-C 3.56Å; D611-G648 WeakPolarHBondContact O-CA 3.46Å; D611-F649 HydrophobicContact CB-CD2 3.97Å; D611-F649 HydrophobicContact CB-CE2 4.07Å; D611-F649 WeakPolarHBondContact O-CD2 3.27Å; D611-F649 PolarHBondContact O-N 2.89Å
612F81.2Confident78.7Confident7 Ų753 Ų533%0.03130%0.301CS..BIsolated β-bridgetrans-97.5135.8-178.3-69.9-100.6000110.9Y604 G608 G609 P610 Y633 F649Y604-F612 WeakPolarHBondContact OH-CD1 3.35Å; G608-F612 VanDerWaalsContact CA-CD2 3.49Å; G608-F612 WeakPolarHBondContact O-CD2 3.39Å; G608-F612 WeakPolarHBondContact O-CE2 3.34Å; G609-F612 WeakPolarHBondContact O-CD2 3.33Å; G609-F612 PolarHBondContact O-N 3.01Å; G609-F612 VanDerWaalsContact O-N 3.12Å; P610-F612 PolarHBondContact O-N 3.07Å; F612-Y633 HydrophobicContact CD1-CD1 4.3Å; F612-Y633 HydrophobicContact CD1-CE1 4.04Å; F612-Y633 AromaticContact CE1-CD1 3.84Å; F612-Y633 HydrophobicContact CE1-CD1 3.84Å; F612-Y633 AromaticContact CE1-CE1 3.43Å; F612-Y633 HydrophobicContact CE1-CE1 3.43Å; F612-Y633 VanDerWaalsContact CE1-CE1 3.43Å; F612-Y633 HydrophobicContact CE1-CE2 4.44Å; F612-Y633 AromaticContact CE1-CZ 3.76Å; F612-F649 CarbonylContact C-O 3.57Å; F612-F649 WeakPolarHBondContact CA-O 3.45Å; F612-F649 HydrophobicContact CD1-CB 3.96Å; F612-F649 HydrophobicContact CE1-CB 4.18Å; F612-F649 HydrophobicContact CG-CB 4.45Å
613L83.6Confident78.8Confident0 Ų052.4 Ų52.40%029%0.293CS..  trans-63.5141.1173.9-111167.8000108.9Y604 F615 I621 G636 V638 Q646 G648 F649 F650Y604-L613 WeakPolarHBondContact CD1-O 3.49Å; Y604-L613 VanDerWaalsContact CE1-O 3.22Å; Y604-L613 WeakPolarHBondContact CE1-O 3.24Å; L613-F615 HydrophobicContact CB-CD1 4.07Å; L613-F615 HydrophobicContact CB-CE1 4.19Å; L613-F615 HydrophobicContact CD2-CD1 4.33Å; L613-I621 HydrophobicContact CD1-CG2 4.17Å; L613-G636 WeakPolarHBondContact CD1-O 3.1Å; L613-V638 HydrophobicContact CD2-CB 4.4Å; L613-V638 HydrophobicContact CD2-CG2 3.24Å; L613-Q646 HydrophobicContact CD2-CB 4.22Å; L613-Q646 HydrophobicContact CD2-CG 4.27Å; L613-Q646 WeakPolarHBondContact CD2-O 3.21Å; L613-G648 WeakPolarHBondContact CD1-O 3.42Å; L613-F649 PolarHBondContact N-O 3.42Å; L613-F650 HydrophobicContact CB-CB 4.08Å; L613-F650 HydrophobicContact CD1-CD1 3.56Å; L613-F650 HydrophobicContact CD1-CE1 4.14Å; L613-F650 HydrophobicContact CD1-CG 4.31Å
614S84.7Confident78.6Confident33 Ų3352.6 Ų52.623%0.23129%0.29CS..  trans-118.3127.7165.9-64.90000108.5Y604 G606 N643 Q646Y604-S614 CarbonylContact O-C 3.59Å; Y604-S614 WeakPolarHBondContact O-CA 3.43Å; G606-S614 PolarHBondContact N-OG 3.36Å; G606-S614 VanDerWaalsContact N-OG 3.14Å; S614-N643 PolarHBondContact O-ND2 3Å; S614-Q646 PolarHBondContact O-OE1 3.13Å
615F87.7Confident78Confident6 Ų653.6 Ų53.63%0.02630%0.298CS..BIsolated β-bridgetrans-148.8153.6-179.951.8-103.9000111A600 P603 Y604 L613 D619 I621 V638 F650 V655A600-F615 HydrophobicContact CB-CD2 3.4Å; A600-F615 HydrophobicContact CB-CE2 3.62Å; A600-F615 HydrophobicContact CB-CG 4.41Å; P603-F615 CarbonylContact C-O 3.56Å; P603-F615 WeakPolarHBondContact CA-O 3.49Å; Y604-F615 HydrophobicContact CD1-CD1 4.26Å; Y604-F615 AromaticContact CD1-CE1 3.64Å; Y604-F615 HydrophobicContact CD1-CE1 3.64Å; Y604-F615 AromaticContact CD1-CZ 3.87Å; Y604-F615 HydrophobicContact CD1-CZ 3.87Å; Y604-F615 AromaticContact CG-CE1 3.97Å; Y604-F615 HydrophobicContact CG-CE1 3.97Å; Y604-F615 HydrophobicContact CG-CE2 4.2Å; Y604-F615 AromaticContact CG-CZ 3.71Å; Y604-F615 HydrophobicContact CG-CZ 3.71Å; Y604-F615 PolarHBondContact N-O 2.96Å; Y604-F615 PolarHBondContact O-N 2.92Å; L613-F615 HydrophobicContact CB-CD1 4.07Å; L613-F615 HydrophobicContact CB-CE1 4.19Å; L613-F615 HydrophobicContact CD2-CD1 4.33Å; F615-D619 WeakPolarHBondContact CA-OD2 3.25Å; F615-D619 HydrophobicContact CB-CB 3.94Å; F615-D619 WeakPolarHBondContact CB-OD2 3.48Å; F615-I621 HydrophobicContact CD1-CD1 3.56Å; F615-I621 HydrophobicContact CD1-CG1 4.02Å; F615-I621 HydrophobicContact CD2-CD1 3.73Å; F615-I621 HydrophobicContact CE1-CD1 3.46Å; F615-I621 VanDerWaalsContact CE1-CD1 3.46Å; F615-I621 HydrophobicContact CE1-CG1 4.25Å; F615-I621 HydrophobicContact CE2-CD1 3.63Å; F615-I621 HydrophobicContact CG-CD1 3.68Å; F615-I621 HydrophobicContact CG-CG1 4.24Å; F615-I621 HydrophobicContact CZ-CD1 3.49Å; F615-I621 VanDerWaalsContact CZ-CD1 3.49Å; F615-V638 HydrophobicContact CB-CG2 4.16Å; F615-F650 HydrophobicContact CE1-CB 3.5Å; F615-F650 HydrophobicContact CE1-CD2 4.09Å; F615-F650 AromaticContact CE1-CG 3.87Å; F615-F650 HydrophobicContact CE1-CG 3.87Å; F615-F650 HydrophobicContact CZ-CB 4Å; F615-F650 HydrophobicContact CZ-CD2 4.1Å; F615-F650 HydrophobicContact CZ-CG 4.3Å; F615-V655 HydrophobicContact CE2-CG1 4.21Å; F615-V655 HydrophobicContact CZ-CG1 3.89Å
616K87Confident77.7Confident116 Ų11652 Ų5250%0.50428%0.284SS..  trans-91.9163.9176.4-66-178.8-177.1173.80110.4A600 N618 D619 D642A600-K616 WeakPolarHBondContact CB-O 3.43Å; K616-N618 PolarHBondContact O-N 2.74Å; K616-D619 PolarHBondContact N-OD2 3.43Å; K616-D619 WeakPolarHBondContact O-CB 3.43Å; K616-D619 PolarHBondContact O-N 2.8Å; K616-D619 VanDerWaalsContact O-N 3.17Å; K616-D642 WeakPolarHBondContact CD-OD2 3.34Å; K616-D642 VanDerWaalsContact CE-OD2 3.31Å; K616-D642 WeakPolarHBondContact CE-OD2 3.42Å; K616-D642 IonicContact NZ-OD2 2.65Å; K616-D642 PolarHBondContact NZ-OD2 3.09Å
617E87.5Confident77.3Confident109 Ų10955.3 Ų55.351%0.50930%0.303SS..THydrogen-bonded Turntrans-56.6136.8170.8-170.5-179.2168.300110.2D619E617-D619 VanDerWaalsContact C-N 3.34Å
618N86.7Confident77Confident113 Ų11346.4 Ų46.460%0.60426%0.261SS*.THydrogen-bonded Turntrans76.5-3-173.7-50.8-66000117.3A600 K616A600-N618 WeakPolarHBondContact O-CA 3.45Å; A600-N618 PolarHBondContact O-N 2.95Å; K616-N618 PolarHBondContact O-N 2.74Å
619D90.9Very high76.7Confident15 Ų1548.2 Ų48.28%0.0828%0.281CS..  trans-61.5139169.4-74-5.6000110.3V599 A600 F615 K616 E617 V638 E640 G641V599-D619 CarbonylContact C-O 3.53Å; V599-D619 WeakPolarHBondContact CA-O 3.44Å; A600-D619 HydrophobicContact CB-CB 4.31Å; A600-D619 WeakPolarHBondContact CB-O 3.36Å; A600-D619 PolarHBondContact N-O 3.2Å; F615-D619 WeakPolarHBondContact CA-OD2 3.25Å; F615-D619 HydrophobicContact CB-CB 3.94Å; F615-D619 WeakPolarHBondContact CB-OD2 3.48Å; K616-D619 PolarHBondContact N-OD2 3.43Å; K616-D619 WeakPolarHBondContact O-CB 3.43Å; K616-D619 PolarHBondContact O-N 2.8Å; K616-D619 VanDerWaalsContact O-N 3.17Å; E617-D619 VanDerWaalsContact C-N 3.34Å; D619-V638 HydrophobicContact CB-CG1 4.38Å; D619-E640 CarbonylContact C-O 3.53Å; D619-E640 WeakPolarHBondContact CA-O 3.31Å; D619-G641 WeakPolarHBondContact OD1-CA 3.42Å
620V89.9Confident76.6Confident9 Ų951.7 Ų51.76%0.05528%0.282CS..EExtended strand (participates in β ladder)trans-90.9122.2176.2-173.20000108.6K597 Y598 Y639 E640K597-V620 HydrophobicContact CB-CG1 3.83Å; K597-V620 HydrophobicContact CD-CG1 3.98Å; K597-V620 HydrophobicContact CG-CG1 4.15Å; Y598-V620 CarbonylContact O-C 3.53Å; Y598-V620 WeakPolarHBondContact O-CA 3.47Å; V620-Y639 HydrophobicContact CG1-CD1 4.38Å; V620-Y639 WeakPolarHBondContact O-CA 3.39Å; V620-Y639 WeakPolarHBondContact O-CB 3.47Å; V620-Y639 PolarHBondContact O-N 3.1Å; V620-E640 HydrophobicContact CB-CB 3.94Å; V620-E640 HydrophobicContact CG2-CB 3.97Å; V620-E640 PolarHBondContact N-O 3.07Å; V620-E640 PolarHBondContact O-N 2.69Å; V620-E640 VanDerWaalsContact O-N 3.09Å
621I89.2Confident76.7Confident0 Ų051 Ų510%027%0.272CS..EExtended strand (participates in β ladder)trans-109.2122.8179.9-59.7142.9000108.5K597 Y598 A600 L613 F615 L623 R637 F650 V655K597-I621 WeakPolarHBondContact CA-O 3.42Å; Y598-I621 PolarHBondContact N-O 2.93Å; Y598-I621 PolarHBondContact O-N 2.95Å; A600-I621 HydrophobicContact CB-CD1 4.04Å; L613-I621 HydrophobicContact CD1-CG2 4.17Å; F615-I621 HydrophobicContact CD1-CD1 3.56Å; F615-I621 HydrophobicContact CD1-CG1 4.02Å; F615-I621 HydrophobicContact CD2-CD1 3.73Å; F615-I621 HydrophobicContact CE1-CD1 3.46Å; F615-I621 VanDerWaalsContact CE1-CD1 3.46Å; F615-I621 HydrophobicContact CE1-CG1 4.25Å; F615-I621 HydrophobicContact CE2-CD1 3.63Å; F615-I621 HydrophobicContact CG-CD1 3.68Å; F615-I621 HydrophobicContact CG-CG1 4.24Å; F615-I621 HydrophobicContact CZ-CD1 3.49Å; F615-I621 VanDerWaalsContact CZ-CD1 3.49Å; I621-L623 PolarHBondContact O-N 2.91Å; I621-R637 CarbonylContact C-O 3.55Å; I621-R637 WeakPolarHBondContact CA-O 3.29Å; I621-F650 HydrophobicContact CG2-CD1 4.28Å; I621-F650 HydrophobicContact CG2-CE1 3.69Å; I621-F650 HydrophobicContact CG2-CE2 4.27Å; I621-F650 HydrophobicContact CG2-CZ 3.67Å; I621-V655 HydrophobicContact CD1-CB 4.46Å; I621-V655 HydrophobicContact CD1-CG1 3.29Å
622Q89.3Confident76.7Confident19 Ų1951.1 Ų51.19%0.08929%0.286CS..EExtended strand (participates in β ladder)trans-83.9113.6170.3-177.3172.530.200108.6L624 G636 R637 Y639Q622-L624 HydrophobicContact CG-CD2 4.47Å; Q622-L624 PolarHBondContact O-N 3.13Å; Q622-G636 CarbonylContact O-C 3.51Å; Q622-G636 WeakPolarHBondContact O-CA 3.15Å; Q622-R637 HydrophobicContact CB-CG 4Å; Q622-R637 PolarHBondContact N-O 2.96Å; Q622-R637 PolarHBondContact O-N 2.85Å; Q622-Y639 HydrophobicContact CB-CD2 4.17Å; Q622-Y639 HydrophobicContact CB-CG 4.42Å
623L86.8Confident76.6Confident20 Ų2053.8 Ų53.811%0.10530%0.296CS..EExtended strand (participates in β ladder)trans-69.1124.7176.4179.367000109.9Q596 Y598 I621 R626 W634 F650Q596-L623 WeakPolarHBondContact O-CB 3.44Å; Q596-L623 PolarHBondContact O-N 2.82Å; Y598-L623 HydrophobicContact CD2-CB 3.89Å; Y598-L623 HydrophobicContact CD2-CD2 4.41Å; Y598-L623 HydrophobicContact CE2-CB 3.75Å; Y598-L623 HydrophobicContact CE2-CD2 3.52Å; Y598-L623 HydrophobicContact CE2-CG 4.26Å; I621-L623 PolarHBondContact O-N 2.91Å; L623-R626 HydrophobicContact CD1-CG 4.35Å; L623-R626 HydrophobicContact CD2-CG 3.69Å; L623-R626 HydrophobicContact CG-CG 4.43Å; L623-W634 HydrophobicContact CD1-CB 3.6Å; L623-W634 HydrophobicContact CD1-CD2 3.73Å; L623-W634 HydrophobicContact CD1-CE3 3.57Å; L623-W634 HydrophobicContact CD1-CG 3.81Å; L623-W634 HydrophobicContact CD2-CD2 4.37Å; L623-W634 HydrophobicContact CD2-CE3 3.99Å; L623-W634 HydrophobicContact CD2-CZ3 4.21Å; L623-W634 HydrophobicContact CG-CE3 4.38Å; L623-F650 HydrophobicContact CD1-CE1 4.38Å; L623-F650 HydrophobicContact CD1-CZ 3.99Å
624L79.4Confident76.7Confident84 Ų8456 Ų5644%0.4431%0.305SS..EExtended strand (participates in β ladder)trans-104.1-34.4179.2-61.9175.8000111.9Q622 Y635 R637 M647Q622-L624 HydrophobicContact CG-CD2 4.47Å; Q622-L624 PolarHBondContact O-N 3.13Å; L624-Y635 WeakPolarHBondContact CA-O 3.2Å; L624-Y635 HydrophobicContact CB-CD1 4.25Å; L624-Y635 HydrophobicContact CD1-CD1 4.27Å; L624-Y635 HydrophobicContact CD1-CE1 4.24Å; L624-Y635 PolarHBondContact N-O 3.45Å; L624-R637 HydrophobicContact CD1-CB 4.24Å; L624-R637 HydrophobicContact CD1-CG 4.46Å; L624-M647 HydrophobicContact CD1-CE 3.5Å; L624-M647 VanDerWaalsContact CD1-CE 3.5Å
625S71.1Confident76.5Confident32 Ų3255.8 Ų55.822%0.22430%0.299CS..EExtended strand (participates in β ladder)trans-155138.7175.2178.20000111.2C627 A628 Y635S625-C627 VanDerWaalsContact C-N 3.34Å; S625-C627 PolarHBondContact OG-N 3.44Å; S625-C627 VanDerWaalsContact OG-N 3.11Å; S625-A628 PolarHBondContact OG-N 2.93Å; S625-Y635 PolarHBondContact N-O 2.72Å; S625-Y635 PolarHBondContact O-N 3.09Å
626R71Confident76.4Confident120 Ų12055.5 Ų55.545%0.45330%0.298SS..SBendtrans-85.9-9.4169.9-64.9-172.1178.4138.67113.2Y598 L623 W634Y598-R626 PolarHBondContact OH-NH2 3.43Å; L623-R626 HydrophobicContact CD1-CG 4.35Å; L623-R626 HydrophobicContact CD2-CG 3.69Å; L623-R626 HydrophobicContact CG-CG 4.43Å; R626-W634 HydrophobicContact CB-CG 4.47Å; R626-W634 HydrophobicContact CG-CD2 4.11Å; R626-W634 HydrophobicContact CG-CG 4.35Å; R626-W634 HydrophobicContact CG-CZ2 4.22Å
627C56.5Low76.5Confident89 Ų8954.5 Ų54.560%0.60129%0.291SS*.  trans-134.237.4-162.3-38.40000111.4S625 G629S625-C627 VanDerWaalsContact C-N 3.34Å; S625-C627 PolarHBondContact OG-N 3.44Å; S625-C627 VanDerWaalsContact OG-N 3.11Å; C627-G629 PolarHBondContact O-N 2.89Å
628A51.7Low76.5Confident0 Ų049.4 Ų49.40%027%0.267CS..SBendtrans-92.289.2-174.300000110.2S625 R630 Y635 F649S625-A628 PolarHBondContact OG-N 2.93Å; A628-R630 PolarHBondContact O-N 2.6Å; A628-Y635 VanDerWaalsContact CB-CB 3.47Å; A628-Y635 HydrophobicContact CB-CG 4.2Å; A628-F649 HydrophobicContact CB-CD1 4.42Å; A628-F649 HydrophobicContact CB-CE1 3.62Å; A628-F649 WeakPolarHBondContact O-CE1 3.37Å
629G51.3Low76.5Confident77 Ų7748.3 Ų48.379%0.79426%0.255SS*.SBendtrans65.4-33.715900000120.1C627C627-G629 PolarHBondContact O-N 2.89Å
630R55.2Low76.1Confident110 Ų11052.3 Ų52.342%0.41527%0.273SS..SBendtrans-113.2125.5178.2-75-171.8-173.6-142.111.3109.9A628 G632 Y633A628-R630 PolarHBondContact O-N 2.6Å; R630-G632 PolarHBondContact O-N 3.22Å; R630-Y633 HydrophobicContact CB-CD2 3.84Å; R630-Y633 HydrophobicContact CB-CG 4.41Å; R630-Y633 PolarHBondContact O-N 3.45Å
631E59.3Low75.6Confident60 Ų6053.3 Ų53.328%0.2829%0.285SS..THydrogen-bonded Turntrans-56.3134.1179.1-77.9179.1163.400112.6Y633 P740 Y766E631-Y633 WeakPolarHBondContact O-CD2 3.48Å; E631-Y633 PolarHBondContact O-N 3.06Å; E631-P740 WeakPolarHBondContact OE1-CA 3.22Å; E631-Y766 HydrophobicContact CG-CE2 4.49Å
632G71.2Confident74.9Confident55 Ų5558.8 Ų58.857%0.56732%0.315SS*.THydrogen-bonded Turntrans82.8-20.3178.400000114.8R630 P652R630-G632 PolarHBondContact O-N 3.22Å; G632-P652 WeakPolarHBondContact O-CD 3.45Å
633Y79Confident74.1Confident62 Ų6261 Ų6124%0.24333%0.327CS..  trans-89.5137.9-178.1-64.9-89.8000112Y604 F612 R630 E631 F649 L651Y604-Y633 WeakPolarHBondContact OH-CE1 3.35Å; F612-Y633 HydrophobicContact CD1-CD1 4.3Å; F612-Y633 HydrophobicContact CD1-CE1 4.04Å; F612-Y633 AromaticContact CE1-CD1 3.84Å; F612-Y633 HydrophobicContact CE1-CD1 3.84Å; F612-Y633 AromaticContact CE1-CE1 3.43Å; F612-Y633 HydrophobicContact CE1-CE1 3.43Å; F612-Y633 VanDerWaalsContact CE1-CE1 3.43Å; F612-Y633 HydrophobicContact CE1-CE2 4.44Å; F612-Y633 AromaticContact CE1-CZ 3.76Å; R630-Y633 HydrophobicContact CB-CD2 3.84Å; R630-Y633 HydrophobicContact CB-CG 4.41Å; R630-Y633 PolarHBondContact O-N 3.45Å; E631-Y633 WeakPolarHBondContact O-CD2 3.48Å; E631-Y633 PolarHBondContact O-N 3.06Å; Y633-F649 HydrophobicContact CD1-CB 4.14Å; Y633-F649 HydrophobicContact CG-CB 4.27Å; Y633-L651 HydrophobicContact CD1-CD2 3.75Å; Y633-L651 HydrophobicContact CD1-CG 3.79Å; Y633-L651 HydrophobicContact CD2-CD2 4.36Å; Y633-L651 HydrophobicContact CE1-CD1 4.04Å; Y633-L651 HydrophobicContact CE1-CD2 3.55Å; Y633-L651 HydrophobicContact CE1-CG 3.43Å; Y633-L651 VanDerWaalsContact CE1-CG 3.43Å; Y633-L651 HydrophobicContact CE2-CD2 4.21Å; Y633-L651 HydrophobicContact CG-CD2 4.14Å
634W84.6Confident73.7Confident47 Ų4763.1 Ų63.118%0.17835%0.347CS..EExtended strand (participates in β ladder)trans-90.6154.7161.6-72.96.5000109.1Y598 L623 R626 F649 F650 P652 V655Y598-W634 AromaticContact CD1-CZ3 3.91Å; Y598-W634 HydrophobicContact CD1-CZ3 3.91Å; Y598-W634 AromaticContact CE1-CH2 3.76Å; Y598-W634 HydrophobicContact CE1-CH2 3.76Å; Y598-W634 AromaticContact CE1-CZ3 3.34Å; Y598-W634 HydrophobicContact CE1-CZ3 3.34Å; Y598-W634 HydrophobicContact CE2-CZ3 4.08Å; Y598-W634 HydrophobicContact CG-CZ3 4.48Å; Y598-W634 AromaticContact CZ-CH2 3.84Å; Y598-W634 AromaticContact CZ-CZ3 3.44Å; Y598-W634 VanDerWaalsContact CZ-CZ3 3.44Å; L623-W634 HydrophobicContact CD1-CB 3.6Å; L623-W634 HydrophobicContact CD1-CD2 3.73Å; L623-W634 HydrophobicContact CD1-CE3 3.57Å; L623-W634 HydrophobicContact CD1-CG 3.81Å; L623-W634 HydrophobicContact CD2-CD2 4.37Å; L623-W634 HydrophobicContact CD2-CE3 3.99Å; L623-W634 HydrophobicContact CD2-CZ3 4.21Å; L623-W634 HydrophobicContact CG-CE3 4.38Å; R626-W634 HydrophobicContact CB-CG 4.47Å; R626-W634 HydrophobicContact CG-CD2 4.11Å; R626-W634 HydrophobicContact CG-CG 4.35Å; R626-W634 HydrophobicContact CG-CZ2 4.22Å; W634-F649 CarbonylContact O-C 3.05Å; W634-F649 VanDerWaalsContact O-CA 3.29Å; W634-F649 WeakPolarHBondContact O-CA 3.18Å; W634-F650 HydrophobicContact CB-CD1 4.37Å; W634-F650 HydrophobicContact CB-CE1 3.86Å; W634-F650 HydrophobicContact CB-CE2 4.07Å; W634-F650 HydrophobicContact CB-CZ 3.71Å; W634-F650 HydrophobicContact CE3-CE2 4.09Å; W634-F650 HydrophobicContact CE3-CZ 4.1Å; W634-F650 PolarHBondContact N-O 3.26Å; W634-F650 WeakPolarHBondContact O-CD1 3.45Å; W634-F650 PolarHBondContact O-N 2.99Å; W634-F650 VanDerWaalsContact O-O 3.12Å; W634-P652 HydrophobicContact CD2-CB 3.54Å; W634-P652 HydrophobicContact CD2-CG 4.08Å; W634-P652 VanDerWaalsContact CE2-CB 3.44Å; W634-P652 HydrophobicContact CE3-CB 3.71Å; W634-P652 HydrophobicContact CG-CB 4.09Å; W634-P652 HydrophobicContact CG-CG 4.17Å; W634-P652 HydrophobicContact CH2-CB 3.75Å; W634-P652 HydrophobicContact CZ2-CB 3.58Å; W634-P652 HydrophobicContact CZ2-CG 4.29Å; W634-P652 HydrophobicContact CZ3-CB 3.8Å; W634-V655 HydrophobicContact CE3-CG2 4.37Å; W634-V655 HydrophobicContact CZ3-CG2 4.12Å
635Y81.9Confident73.5Confident28 Ų2861.5 Ų61.511%0.1135%0.351CS..EExtended strand (participates in β ladder)trans-114.8133173.4-169.5-98.2000108.9I562 L624 S625 A628 M647 G648 F649I562-Y635 HydrophobicContact CD1-CD1 3.95Å; I562-Y635 HydrophobicContact CD1-CD2 3.71Å; I562-Y635 HydrophobicContact CD1-CE1 3.55Å; I562-Y635 HydrophobicContact CD1-CE2 3.29Å; I562-Y635 HydrophobicContact CD1-CG 4.02Å; L624-Y635 WeakPolarHBondContact CA-O 3.2Å; L624-Y635 HydrophobicContact CB-CD1 4.25Å; L624-Y635 HydrophobicContact CD1-CD1 4.27Å; L624-Y635 HydrophobicContact CD1-CE1 4.24Å; L624-Y635 PolarHBondContact N-O 3.45Å; S625-Y635 PolarHBondContact N-O 2.72Å; S625-Y635 PolarHBondContact O-N 3.09Å; A628-Y635 VanDerWaalsContact CB-CB 3.47Å; A628-Y635 HydrophobicContact CB-CG 4.2Å; Y635-M647 HydrophobicContact CE1-CB 4.34Å; Y635-M647 HydrophobicContact CE1-CE 3.57Å; Y635-M647 WeakPolarHBondContact OH-CB 3.32Å; Y635-G648 WeakPolarHBondContact CA-O 3.24Å; Y635-G648 VanDerWaalsContact CD2-O 3.23Å; Y635-G648 WeakPolarHBondContact CD2-O 3.18Å; Y635-G648 VanDerWaalsContact CE2-C 3.45Å; Y635-F649 AromaticContact CD2-CD1 3.6Å; Y635-F649 HydrophobicContact CD2-CD1 3.6Å; Y635-F649 HydrophobicContact CD2-CD2 4.3Å; Y635-F649 AromaticContact CD2-CE1 3.46Å; Y635-F649 HydrophobicContact CD2-CE1 3.46Å; Y635-F649 VanDerWaalsContact CD2-CE1 3.46Å; Y635-F649 HydrophobicContact CD2-CE2 4.23Å; Y635-F649 AromaticContact CD2-CG 4Å; Y635-F649 HydrophobicContact CD2-CG 4Å; Y635-F649 AromaticContact CD2-CZ 3.82Å; Y635-F649 HydrophobicContact CD2-CZ 3.82Å; Y635-F649 HydrophobicContact CE2-CE1 4.27Å; Y635-F649 HydrophobicContact CE2-CE2 4.32Å; Y635-F649 HydrophobicContact CE2-CZ 4.18Å; Y635-F649 HydrophobicContact CG-CD1 4.34Å; Y635-F649 HydrophobicContact CG-CE1 4.14Å
636G85.5Confident73.9Confident0 Ų062.8 Ų62.80%035%0.354CS..EExtended strand (participates in β ladder)trans-153.5-173.4-175.100000111.2L613 Q622 M647 G648L613-G636 WeakPolarHBondContact CD1-O 3.1Å; Q622-G636 CarbonylContact O-C 3.51Å; Q622-G636 WeakPolarHBondContact O-CA 3.15Å; G636-M647 WeakPolarHBondContact O-CA 3.41Å; G636-G648 PolarHBondContact N-O 2.67Å; G636-G648 VanDerWaalsContact N-O 3.11Å; G636-G648 PolarHBondContact O-N 3.43Å; G636-G648 VanDerWaalsContact O-N 3.08Å
637R87.8Confident74.6Confident96 Ų9661.2 Ų61.236%0.36235%0.352SS..EExtended strand (participates in β ladder)trans-129.2146.1167.371.4176.7-176.2168.44.1110.5I621 Q622 L624 Y639 Q646 M647I621-R637 CarbonylContact C-O 3.55Å; I621-R637 WeakPolarHBondContact CA-O 3.29Å; Q622-R637 HydrophobicContact CB-CG 4Å; Q622-R637 PolarHBondContact N-O 2.96Å; Q622-R637 PolarHBondContact O-N 2.85Å; L624-R637 HydrophobicContact CD1-CB 4.24Å; L624-R637 HydrophobicContact CD1-CG 4.46Å; R637-Y639 PolarHBondContact O-N 2.53Å; R637-Q646 CarbonylContact C-O 3.56Å; R637-Q646 WeakPolarHBondContact CA-O 3.45Å; R637-Q646 WeakPolarHBondContact CB-O 3.23Å; R637-M647 HydrophobicContact CB-CG 3.83Å
638V88.4Confident75.7Confident1 Ų157 Ų571%0.00632%0.324CS..EExtended strand (participates in β ladder)trans-65118.4165.1-174.10000107.2L613 F615 D619 N643 G645 Q646L613-V638 HydrophobicContact CD2-CB 4.4Å; L613-V638 HydrophobicContact CD2-CG2 3.24Å; F615-V638 HydrophobicContact CB-CG2 4.16Å; D619-V638 HydrophobicContact CB-CG1 4.38Å; V638-N643 VanDerWaalsContact CB-O 3.31Å; V638-N643 WeakPolarHBondContact CB-O 3.46Å; V638-N643 HydrophobicContact CG2-CB 4.11Å; V638-G645 PolarHBondContact O-N 3.02Å; V638-Q646 HydrophobicContact CG2-CB 4.48Å; V638-Q646 PolarHBondContact N-O 3.33Å
639Y86Confident77.2Confident91 Ų9157.4 Ų57.436%0.35733%0.326SS..EExtended strand (participates in β ladder)trans-91.1-44.1179.2-174.9-89.2000111.4K597 V620 Q622 R637K597-Y639 HydrophobicContact CD-CD1 4.18Å; K597-Y639 HydrophobicContact CD-CE1 4.32Å; K597-Y639 VanDerWaalsContact CE-CZ 3.48Å; K597-Y639 PolarHBondContact NZ-OH 3.5Å; V620-Y639 HydrophobicContact CG1-CD1 4.38Å; V620-Y639 WeakPolarHBondContact O-CA 3.39Å; V620-Y639 WeakPolarHBondContact O-CB 3.47Å; V620-Y639 PolarHBondContact O-N 3.1Å; Q622-Y639 HydrophobicContact CB-CD2 4.17Å; Q622-Y639 HydrophobicContact CB-CG 4.42Å; R637-Y639 PolarHBondContact O-N 2.53Å
640E83.6Confident78.9Confident98 Ų9853.7 Ų53.746%0.45829%0.288SS..EExtended strand (participates in β ladder)trans-136131.4171.6-73159.8-153.100108.2D619 V620D619-E640 CarbonylContact C-O 3.53Å; D619-E640 WeakPolarHBondContact CA-O 3.31Å; V620-E640 HydrophobicContact CB-CB 3.94Å; V620-E640 HydrophobicContact CG2-CB 3.97Å; V620-E640 PolarHBondContact N-O 3.07Å; V620-E640 PolarHBondContact O-N 2.69Å; V620-E640 VanDerWaalsContact O-N 3.09Å
641G79.1Confident80.3Confident30 Ų3050 Ų5031%0.30928%0.276SS..SBendtrans148.5173.4-175.100000111.5D619 N643 A644D619-G641 WeakPolarHBondContact OD1-CA 3.42Å; G641-N643 PolarHBondContact O-N 3.43Å; G641-N643 VanDerWaalsContact O-N 3.17Å; G641-A644 WeakPolarHBondContact O-CB 3.44Å; G641-A644 PolarHBondContact O-N 3.4Å; G641-A644 VanDerWaalsContact O-N 3.16Å
642D73.4Confident81.6Confident116 Ų11648.8 Ų48.862%0.6227%0.273SS*.THydrogen-bonded Turntrans-61.1-27.3-177.6-71.5-17.3000112.6K616K616-D642 WeakPolarHBondContact CD-OD2 3.34Å; K616-D642 VanDerWaalsContact CE-OD2 3.31Å; K616-D642 WeakPolarHBondContact CE-OD2 3.42Å; K616-D642 IonicContact NZ-OD2 2.65Å; K616-D642 PolarHBondContact NZ-OD2 3.09Å
643N73.6Confident82.3Confident65 Ų6550.3 Ų50.335%0.34827%0.266SS..THydrogen-bonded Turntrans-104.928.1-179.5-63.7-23.6000113.1S614 V638 G641 G645 Q646S614-N643 PolarHBondContact O-ND2 3Å; V638-N643 VanDerWaalsContact CB-O 3.31Å; V638-N643 WeakPolarHBondContact CB-O 3.46Å; V638-N643 HydrophobicContact CG2-CB 4.11Å; G641-N643 PolarHBondContact O-N 3.43Å; G641-N643 VanDerWaalsContact O-N 3.17Å; N643-G645 PolarHBondContact O-N 3.44Å; N643-Q646 HydrophobicContact CB-CB 4.27Å; N643-Q646 VanDerWaalsContact O-CB 3.24Å; N643-Q646 WeakPolarHBondContact O-CB 3.33Å; N643-Q646 PolarHBondContact O-N 3.43Å
644A78.4Confident82.8Confident64 Ų6450.9 Ų50.953%0.52927%0.268SS..THydrogen-bonded Turntrans-49.7129.2-178.400000112.4G641G641-A644 WeakPolarHBondContact O-CB 3.44Å; G641-A644 PolarHBondContact O-N 3.4Å; G641-A644 VanDerWaalsContact O-N 3.16Å
645G74.3Confident83.1Confident50 Ų5049.2 Ų49.252%0.51526%0.263SS..THydrogen-bonded Turntrans96.7-24.5-175.600000114.5V638 N643 M647V638-G645 PolarHBondContact O-N 3.02Å; N643-G645 PolarHBondContact O-N 3.44Å; G645-M647 PolarHBondContact O-N 3.32Å
646Q80.7Confident83.4Confident60 Ų6052.4 Ų52.428%0.2828%0.275SS..  trans-58.3131176.8-169.4-176.337.400109.8L613 S614 R637 V638 N643L613-Q646 HydrophobicContact CD2-CB 4.22Å; L613-Q646 HydrophobicContact CD2-CG 4.27Å; L613-Q646 WeakPolarHBondContact CD2-O 3.21Å; S614-Q646 PolarHBondContact O-OE1 3.13Å; R637-Q646 CarbonylContact C-O 3.56Å; R637-Q646 WeakPolarHBondContact CA-O 3.45Å; R637-Q646 WeakPolarHBondContact CB-O 3.23Å; V638-Q646 HydrophobicContact CG2-CB 4.48Å; V638-Q646 PolarHBondContact N-O 3.33Å; N643-Q646 HydrophobicContact CB-CB 4.27Å; N643-Q646 VanDerWaalsContact O-CB 3.24Å; N643-Q646 WeakPolarHBondContact O-CB 3.33Å; N643-Q646 PolarHBondContact O-N 3.43Å
647M84.7Confident83.3Confident87 Ų8755.7 Ų55.743%0.42929%0.289SS..EExtended strand (participates in β ladder)trans-110.5145.1176-59.3-176.55100109.2L624 Y635 G636 R637 G645L624-M647 HydrophobicContact CD1-CE 3.5Å; L624-M647 VanDerWaalsContact CD1-CE 3.5Å; Y635-M647 HydrophobicContact CE1-CB 4.34Å; Y635-M647 HydrophobicContact CE1-CE 3.57Å; Y635-M647 WeakPolarHBondContact OH-CB 3.32Å; G636-M647 WeakPolarHBondContact O-CA 3.41Å; R637-M647 HydrophobicContact CB-CG 3.83Å; G645-M647 PolarHBondContact O-N 3.32Å
648G80.5Confident82.7Confident0 Ų054.4 Ų54.40%029%0.287CS..EExtended strand (participates in β ladder)trans173173.4-176.800000114D611 L613 Y635 G636D611-G648 CarbonylContact O-C 3.56Å; D611-G648 WeakPolarHBondContact O-CA 3.46Å; L613-G648 WeakPolarHBondContact CD1-O 3.42Å; Y635-G648 WeakPolarHBondContact CA-O 3.24Å; Y635-G648 VanDerWaalsContact CD2-O 3.23Å; Y635-G648 WeakPolarHBondContact CD2-O 3.18Å; Y635-G648 VanDerWaalsContact CE2-C 3.45Å; G636-G648 PolarHBondContact N-O 2.67Å; G636-G648 VanDerWaalsContact N-O 3.11Å; G636-G648 PolarHBondContact O-N 3.43Å; G636-G648 VanDerWaalsContact O-N 3.08Å
649F83.5Confident81.6Confident8 Ų857.5 Ų57.54%0.03531%0.313CS..EExtended strand (participates in β ladder)trans-78.8139.1172.7-62.1-68.9000110.7I562 Y604 D611 F612 L613 A628 Y633 W634 Y635I562-F649 HydrophobicContact CB-CZ 4.19Å; I562-F649 HydrophobicContact CD1-CZ 4.08Å; I562-F649 HydrophobicContact CG2-CZ 4.21Å; Y604-F649 WeakPolarHBondContact CE1-O 3.49Å; D611-F649 HydrophobicContact CB-CD2 3.97Å; D611-F649 HydrophobicContact CB-CE2 4.07Å; D611-F649 WeakPolarHBondContact O-CD2 3.27Å; D611-F649 PolarHBondContact O-N 2.89Å; F612-F649 CarbonylContact C-O 3.57Å; F612-F649 WeakPolarHBondContact CA-O 3.45Å; F612-F649 HydrophobicContact CD1-CB 3.96Å; F612-F649 HydrophobicContact CE1-CB 4.18Å; F612-F649 HydrophobicContact CG-CB 4.45Å; L613-F649 PolarHBondContact N-O 3.42Å; A628-F649 HydrophobicContact CB-CD1 4.42Å; A628-F649 HydrophobicContact CB-CE1 3.62Å; A628-F649 WeakPolarHBondContact O-CE1 3.37Å; Y633-F649 HydrophobicContact CD1-CB 4.14Å; Y633-F649 HydrophobicContact CG-CB 4.27Å; W634-F649 CarbonylContact O-C 3.05Å; W634-F649 VanDerWaalsContact O-CA 3.29Å; W634-F649 WeakPolarHBondContact O-CA 3.18Å; Y635-F649 AromaticContact CD2-CD1 3.6Å; Y635-F649 HydrophobicContact CD2-CD1 3.6Å; Y635-F649 HydrophobicContact CD2-CD2 4.3Å; Y635-F649 AromaticContact CD2-CE1 3.46Å; Y635-F649 HydrophobicContact CD2-CE1 3.46Å; Y635-F649 VanDerWaalsContact CD2-CE1 3.46Å; Y635-F649 HydrophobicContact CD2-CE2 4.23Å; Y635-F649 AromaticContact CD2-CG 4Å; Y635-F649 HydrophobicContact CD2-CG 4Å; Y635-F649 AromaticContact CD2-CZ 3.82Å; Y635-F649 HydrophobicContact CD2-CZ 3.82Å; Y635-F649 HydrophobicContact CE2-CE1 4.27Å; Y635-F649 HydrophobicContact CE2-CE2 4.32Å; Y635-F649 HydrophobicContact CE2-CZ 4.18Å; Y635-F649 HydrophobicContact CG-CD1 4.34Å; Y635-F649 HydrophobicContact CG-CE1 4.14Å
650F86.3Confident80.1Confident0 Ų057 Ų570%032%0.316CS..EExtended strand (participates in β ladder)trans-146.3154.3172.868.2-78.9000110.6Y604 L613 F615 I621 L623 W634 V655Y604-F650 HydrophobicContact CD1-CB 3.83Å; Y604-F650 HydrophobicContact CE1-CB 3.67Å; L613-F650 HydrophobicContact CB-CB 4.08Å; L613-F650 HydrophobicContact CD1-CD1 3.56Å; L613-F650 HydrophobicContact CD1-CE1 4.14Å; L613-F650 HydrophobicContact CD1-CG 4.31Å; F615-F650 HydrophobicContact CE1-CB 3.5Å; F615-F650 HydrophobicContact CE1-CD2 4.09Å; F615-F650 AromaticContact CE1-CG 3.87Å; F615-F650 HydrophobicContact CE1-CG 3.87Å; F615-F650 HydrophobicContact CZ-CB 4Å; F615-F650 HydrophobicContact CZ-CD2 4.1Å; F615-F650 HydrophobicContact CZ-CG 4.3Å; I621-F650 HydrophobicContact CG2-CD1 4.28Å; I621-F650 HydrophobicContact CG2-CE1 3.69Å; I621-F650 HydrophobicContact CG2-CE2 4.27Å; I621-F650 HydrophobicContact CG2-CZ 3.67Å; L623-F650 HydrophobicContact CD1-CE1 4.38Å; L623-F650 HydrophobicContact CD1-CZ 3.99Å; W634-F650 HydrophobicContact CB-CD1 4.37Å; W634-F650 HydrophobicContact CB-CE1 3.86Å; W634-F650 HydrophobicContact CB-CE2 4.07Å; W634-F650 HydrophobicContact CB-CZ 3.71Å; W634-F650 HydrophobicContact CE3-CE2 4.09Å; W634-F650 HydrophobicContact CE3-CZ 4.1Å; W634-F650 PolarHBondContact N-O 3.26Å; W634-F650 WeakPolarHBondContact O-CD1 3.45Å; W634-F650 PolarHBondContact O-N 2.99Å; W634-F650 VanDerWaalsContact O-O 3.12Å; F650-V655 HydrophobicContact CD2-CG1 3.76Å; F650-V655 HydrophobicContact CD2-CG2 4.43Å; F650-V655 HydrophobicContact CE2-CB 4.29Å; F650-V655 HydrophobicContact CE2-CG1 3.58Å; F650-V655 HydrophobicContact CE2-CG2 3.65Å
651L84.4Confident78.6Confident32 Ų3255.5 Ų55.517%0.16831%0.314CS..  trans-81131178.2-71.1164.8000109.9Y604 Y633 E653 Y654Y604-L651 HydrophobicContact CE2-CB 4.34Å; Y604-L651 HydrophobicContact CE2-CD1 4.2Å; Y604-L651 HydrophobicContact CE2-CG 4.32Å; Y633-L651 HydrophobicContact CD1-CD2 3.75Å; Y633-L651 HydrophobicContact CD1-CG 3.79Å; Y633-L651 HydrophobicContact CD2-CD2 4.36Å; Y633-L651 HydrophobicContact CE1-CD1 4.04Å; Y633-L651 HydrophobicContact CE1-CD2 3.55Å; Y633-L651 HydrophobicContact CE1-CG 3.43Å; Y633-L651 VanDerWaalsContact CE1-CG 3.43Å; Y633-L651 HydrophobicContact CE2-CD2 4.21Å; Y633-L651 HydrophobicContact CG-CD2 4.14Å; L651-E653 HydrophobicContact CB-CG 3.9Å; L651-E653 PolarHBondContact O-N 3.25Å; L651-Y654 HydrophobicContact CB-CD2 3.75Å; L651-Y654 HydrophobicContact CB-CE2 4.08Å; L651-Y654 HydrophobicContact CD1-CE2 4.04Å; L651-Y654 PolarHBondContact O-N 3.31Å
652P86.4Confident77.1Confident35 Ų3558.7 Ų58.723%0.22733%0.327CS..G310 helixtrans-56.2-25.4179.711.3-22.3000114.9G632 W634 Y654 V655G632-P652 WeakPolarHBondContact O-CD 3.45Å; W634-P652 HydrophobicContact CD2-CB 3.54Å; W634-P652 HydrophobicContact CD2-CG 4.08Å; W634-P652 VanDerWaalsContact CE2-CB 3.44Å; W634-P652 HydrophobicContact CE3-CB 3.71Å; W634-P652 HydrophobicContact CG-CB 4.09Å; W634-P652 HydrophobicContact CG-CG 4.17Å; W634-P652 HydrophobicContact CH2-CB 3.75Å; W634-P652 HydrophobicContact CZ2-CB 3.58Å; W634-P652 HydrophobicContact CZ2-CG 4.29Å; W634-P652 HydrophobicContact CZ3-CB 3.8Å; P652-Y654 PolarHBondContact O-N 3Å; P652-V655 WeakPolarHBondContact O-CG2 3.48Å; P652-V655 PolarHBondContact O-N 3.47Å; P652-V655 VanDerWaalsContact O-O 3.07Å
653E87Confident75.6Confident86 Ų8659.7 Ų59.740%0.40233%0.326SS..G310 helixtrans-68.4-18.717963.2-156.4-163.800113.9I601 L651 V655 P837I601-E653 WeakPolarHBondContact CD1-O 3.39Å; L651-E653 HydrophobicContact CB-CG 3.9Å; L651-E653 PolarHBondContact O-N 3.25Å; E653-V655 PolarHBondContact O-N 3.02Å; E653-P837 WeakPolarHBondContact OE1-CG 3.32Å; E653-P837 VanDerWaalsContact OE2-CB 3.22Å; E653-P837 WeakPolarHBondContact OE2-CB 3.21Å; E653-P837 VanDerWaalsContact OE2-CG 3.27Å; E653-P837 WeakPolarHBondContact OE2-CG 3.46Å
654Y89.6Confident74Confident75 Ų7563.9 Ų63.929%0.29434%0.337SS..G310 helixtrans-83.90.6175.4-72.8-102.2000112.7A600 I601 A602 P603 Y604 L651 P652A600-Y654 CarbonylContact C-O 3.59Å; A600-Y654 VanDerWaalsContact CA-O 3.31Å; A600-Y654 WeakPolarHBondContact CA-O 3.46Å; I601-Y654 WeakPolarHBondContact CG1-O 3.23Å; I601-Y654 PolarHBondContact N-O 3.26Å; A602-Y654 HydrophobicContact CB-CD1 4.09Å; P603-Y654 WeakPolarHBondContact O-CD1 3.5Å; P603-Y654 WeakPolarHBondContact O-CE1 3.39Å; Y604-Y654 AromaticContact CD2-CD1 3.72Å; Y604-Y654 HydrophobicContact CD2-CD1 3.72Å; Y604-Y654 AromaticContact CD2-CD2 3.67Å; Y604-Y654 HydrophobicContact CD2-CD2 3.67Å; Y604-Y654 AromaticContact CD2-CE1 3.85Å; Y604-Y654 HydrophobicContact CD2-CE1 3.85Å; Y604-Y654 AromaticContact CD2-CE2 3.81Å; Y604-Y654 HydrophobicContact CD2-CE2 3.81Å; Y604-Y654 AromaticContact CD2-CG 3.62Å; Y604-Y654 HydrophobicContact CD2-CG 3.62Å; Y604-Y654 AromaticContact CD2-CZ 3.9Å; Y604-Y654 HydrophobicContact CE2-CD2 4.1Å; Y604-Y654 HydrophobicContact CE2-CE2 4.06Å; Y604-Y654 HydrophobicContact CE2-CG 4.49Å; Y604-Y654 HydrophobicContact CG-CD1 4.26Å; Y604-Y654 HydrophobicContact CG-CG 4.22Å; L651-Y654 HydrophobicContact CB-CD2 3.75Å; L651-Y654 HydrophobicContact CB-CE2 4.08Å; L651-Y654 HydrophobicContact CD1-CE2 4.04Å; L651-Y654 PolarHBondContact O-N 3.31Å; P652-Y654 PolarHBondContact O-N 3Å
655V90Very high72.5Confident12 Ų1266 Ų667%0.07334%0.343CS..EExtended strand (participates in β ladder)trans-135.3151.2-175.9-49.30000112.8Y598 V599 F615 I621 W634 F650 P652 E653Y598-V655 HydrophobicContact CD1-CB 4.34Å; Y598-V655 HydrophobicContact CD1-CG2 3.55Å; Y598-V655 HydrophobicContact CE1-CG2 4.43Å; Y598-V655 HydrophobicContact CG-CB 4.39Å; Y598-V655 HydrophobicContact CG-CG2 3.8Å; V599-V655 CarbonylContact O-C 3.54Å; V599-V655 VanDerWaalsContact O-CA 3.31Å; V599-V655 WeakPolarHBondContact O-CA 3.42Å; F615-V655 HydrophobicContact CE2-CG1 4.21Å; F615-V655 HydrophobicContact CZ-CG1 3.89Å; I621-V655 HydrophobicContact CD1-CB 4.46Å; I621-V655 HydrophobicContact CD1-CG1 3.29Å; W634-V655 HydrophobicContact CE3-CG2 4.37Å; W634-V655 HydrophobicContact CZ3-CG2 4.12Å; F650-V655 HydrophobicContact CD2-CG1 3.76Å; F650-V655 HydrophobicContact CD2-CG2 4.43Å; F650-V655 HydrophobicContact CE2-CB 4.29Å; F650-V655 HydrophobicContact CE2-CG1 3.58Å; F650-V655 HydrophobicContact CE2-CG2 3.65Å; P652-V655 WeakPolarHBondContact O-CG2 3.48Å; P652-V655 PolarHBondContact O-N 3.47Å; P652-V655 VanDerWaalsContact O-O 3.07Å; E653-V655 PolarHBondContact O-N 3.02Å
656R87.5Confident71.1Confident95 Ų9567.5 Ų67.536%0.35834%0.343SS..EExtended strand (participates in β ladder)trans-124.6143.3172.7175.5178.6-79.9162.7-0.3110Y598 V599 I601 Q658 D660Y598-R656 CarbonylContact C-O 3.45Å; Y598-R656 WeakPolarHBondContact CA-O 3.48Å; Y598-R656 WeakPolarHBondContact CB-O 3.33Å; V599-R656 PolarHBondContact N-O 3.13Å; V599-R656 PolarHBondContact O-N 3.48Å; I601-R656 HydrophobicContact CG2-CB 3.6Å; R656-Q658 PolarHBondContact O-N 3.22Å; R656-D660 HydrophobicContact CG-CB 4.01Å
657K83.4Confident69Low69 Ų6972.1 Ų72.130%0.336%0.358SS..EExtended strand (participates in β ladder)trans-53130.8174.7-95.7-174.9174.8-172.90110.5Q596 Y598 A659 D660Q596-K657 VanDerWaalsContact OE1-CE 3.26Å; Y598-K657 HydrophobicContact CD1-CB 4.44Å; Y598-K657 HydrophobicContact CD1-CG 3.99Å; Y598-K657 HydrophobicContact CE1-CB 4.33Å; Y598-K657 HydrophobicContact CE1-CG 3.48Å; Y598-K657 VanDerWaalsContact CE1-CG 3.48Å; Y598-K657 HydrophobicContact CE2-CG 4.37Å; K657-A659 PolarHBondContact O-N 3.39Å; K657-A659 VanDerWaalsContact O-N 3.15Å; K657-D660 WeakPolarHBondContact O-CB 3.45Å; K657-D660 PolarHBondContact O-N 3.5Å
658Q75Confident67.1Low68 Ų6874.2 Ų74.232%0.31837%0.366SS..Hα-helixtrans-58.6-31.7-178.4-1691738.500112.5K597 V599 R656 D660 V661K597-Q658 HydrophobicContact CB-CB 4.34Å; K597-Q658 PolarHBondContact O-N 2.92Å; K597-Q658 VanDerWaalsContact O-N 3.07Å; V599-Q658 HydrophobicContact CG2-CB 4.01Å; V599-Q658 HydrophobicContact CG2-CG 3.85Å; R656-Q658 PolarHBondContact O-N 3.22Å; Q658-D660 PolarHBondContact O-N 3.18Å; Q658-V661 PolarHBondContact O-N 3.38Å; Q658-V661 VanDerWaalsContact O-N 3.1Å
659A65.2Low65.5Low66 Ų6680 Ų8055%0.54540%0.397SS..Hα-helixtrans-61.3-24.1175.200000114.1K657K657-A659 PolarHBondContact O-N 3.39Å; K657-A659 VanDerWaalsContact O-N 3.15Å
660D54.9Low63.5Low81 Ų8184.8 Ų84.843%0.43342%0.421SS..Hα-helixtrans-84.3-19.4178-64.7-33000112.4R656 K657 Q658R656-D660 HydrophobicContact CG-CB 4.01Å; K657-D660 WeakPolarHBondContact O-CB 3.45Å; K657-D660 PolarHBondContact O-N 3.5Å; Q658-D660 PolarHBondContact O-N 3.18Å
661V53.7Low61.8Low66 Ų6688.9 Ų88.940%0.444%0.442SS..Hα-helixtrans-74.7-38.1178.1-1750000110.6V599 Q658 K663V599-V661 HydrophobicContact CB-CG2 4.24Å; V599-V661 HydrophobicContact CG2-CG2 4.11Å; Q658-V661 PolarHBondContact O-N 3.38Å; Q658-V661 VanDerWaalsContact O-N 3.1Å; V661-K663 VanDerWaalsContact C-N 3.35Å; V661-K663 PolarHBondContact O-N 3.04Å
662V46.5Very low60.1Low98 Ų9894.9 Ų94.959%0.59447%0.469SS*.Hα-helixtrans-72.2-27.2178.1-175.70000112.5R664 T665 T666V662-R664 PolarHBondContact O-N 3.28Å; V662-T665 PolarHBondContact O-OG1 3.09Å; V662-T666 PolarHBondContact O-OG1 3.34Å
663K41.5Very low58.1Low137 Ų137100.7 Ų100.760%0.59649%0.493SS*.Hα-helixtrans-71.7-28.2178.9-79.3-175.6178.6177.20113.1V661 T666 W667V661-K663 VanDerWaalsContact C-N 3.35Å; V661-K663 PolarHBondContact O-N 3.04Å; K663-T666 PolarHBondContact O-OG1 2.78Å; K663-W667 WeakPolarHBondContact O-CB 3.35Å; K663-W667 PolarHBondContact O-N 2.93Å
664R41.4Very low56.2Low153 Ų153104.3 Ų104.358%0.57751%0.507SS*.Hα-helixtrans-76.3-28.4-176.8-104.7-177177-177.3-1.1114.7V662 T666 H668V662-R664 PolarHBondContact O-N 3.28Å; R664-T666 VanDerWaalsContact C-N 3.33Å; R664-H668 PolarHBondContact O-N 2.83Å; R664-H668 PolarHBondContact O-ND1 3.17Å
665T45.5Very low54.1Low108 Ų108111.7 Ų111.766%0.66354%0.535SS*.Hα-helixtrans-76.4-21.6176.737.50000112.6V662V662-T665 PolarHBondContact O-OG1 3.09Å
666T45.5Very low51.9Low82 Ų82120.1 Ų120.150%0.50357%0.57SS.*Hα-helixtrans-97.3-27.3170.941.50000113.2V662 K663 R664 H668 N669 M670V662-T666 PolarHBondContact O-OG1 3.34Å; K663-T666 PolarHBondContact O-OG1 2.78Å; R664-T666 VanDerWaalsContact C-N 3.33Å; T666-H668 PolarHBondContact O-N 3.22Å; T666-N669 PolarHBondContact O-N 3.48Å; T666-M670 PolarHBondContact O-N 3.37Å
667W35.9Very low49.6Very low157 Ų157120.4 Ų120.460%0.59559%0.587SS**Hα-helixtrans-63.5-36.8177.3-122.255.8000113.7K663 N669 M670 I671K663-W667 WeakPolarHBondContact O-CB 3.35Å; K663-W667 PolarHBondContact O-N 2.93Å; W667-N669 PolarHBondContact O-N 2.72Å; W667-M670 PolarHBondContact O-N 3.38Å; W667-I671 HydrophobicContact CD2-CD1 4.12Å; W667-I671 HydrophobicContact CD2-CG1 4.27Å; W667-I671 HydrophobicContact CE3-CD1 3.22Å; W667-I671 HydrophobicContact CE3-CG1 3.76Å; W667-I671 HydrophobicContact CH2-CD1 4.45Å; W667-I671 HydrophobicContact CH2-CG1 4.49Å; W667-I671 HydrophobicContact CZ3-CD1 3.42Å; W667-I671 VanDerWaalsContact CZ3-CD1 3.42Å; W667-I671 HydrophobicContact CZ3-CG1 3.87Å; W667-I671 WeakPolarHBondContact O-CG1 3.37Å; W667-I671 PolarHBondContact O-N 3.12Å
668H45.6Very low47.1Very low130 Ų130125.7 Ų125.760%0.60261%0.613SS**Hα-helixtrans-59.9-33.6-178.3-84.189.1000112.1R664 T666R664-H668 PolarHBondContact O-N 2.83Å; R664-H668 PolarHBondContact O-ND1 3.17Å; T666-H668 PolarHBondContact O-N 3.22Å
669N45.8Very low45Very low123 Ų123129.2 Ų129.266%0.65864%0.639SS**Hα-helixtrans-81.1-21.7176.6-67.6-11.9000113.7T666 W667T666-N669 PolarHBondContact O-N 3.48Å; W667-N669 PolarHBondContact O-N 2.72Å
670M42.2Very low43.4Very low107 Ų107129.7 Ų129.753%0.52765%0.65SS.*Hα-helixtrans-86.1-23-179.4-68.3-176.581.700113.8T666 W667 E672 K674T666-M670 PolarHBondContact O-N 3.37Å; W667-M670 PolarHBondContact O-N 3.38Å; M670-E672 VanDerWaalsContact C-N 3.29Å; M670-K674 PolarHBondContact O-N 3.3Å
671I50.6Low42.2Very low86 Ų86130.6 Ų130.644%0.44167%0.669SS.*Hα-helixtrans-71.6-27.5179.6-64.7166.9000111.4W667W667-I671 HydrophobicContact CD2-CD1 4.12Å; W667-I671 HydrophobicContact CD2-CG1 4.27Å; W667-I671 HydrophobicContact CE3-CD1 3.22Å; W667-I671 HydrophobicContact CE3-CG1 3.76Å; W667-I671 HydrophobicContact CH2-CD1 4.45Å; W667-I671 HydrophobicContact CH2-CG1 4.49Å; W667-I671 HydrophobicContact CZ3-CD1 3.42Å; W667-I671 VanDerWaalsContact CZ3-CD1 3.42Å; W667-I671 HydrophobicContact CZ3-CG1 3.87Å; W667-I671 WeakPolarHBondContact O-CG1 3.37Å; W667-I671 PolarHBondContact O-N 3.12Å
672E47.8Very low41.3Very low159 Ų159135.5 Ų135.574%0.74369%0.693SS**Hα-helixtrans-76.2-25-179.7-142.2150.2-154.200112.7M670M670-E672 VanDerWaalsContact C-N 3.29Å
673E46Very low40.4Very low156 Ų156139.3 Ų139.373%0.72970%0.704SS**Hα-helixtrans-87.9-30.7174.9-75.6-172.5144.200114.1R675E673-R675 VanDerWaalsContact C-N 3.28Å; E673-R675 PolarHBondContact O-N 3.03Å
674K45.5Very low40.1Very low162 Ų162138.1 Ų138.170%0.70471%0.713SS**Hα-helixtrans-79.2-3.6-177.6-96.7-172.1176.6-176.70115.5M670 K676M670-K674 PolarHBondContact O-N 3.3Å; K674-K676 PolarHBondContact O-N 3.11Å
675R47.5Very low39.7Very low230 Ų230137.7 Ų137.787%0.86872%0.723SS**THydrogen-bonded Turntrans-64.43.1169.6-117.7175171159.2-2.8114.1E673E673-R675 VanDerWaalsContact C-N 3.28Å; E673-R675 PolarHBondContact O-N 3.03Å
676K43.1Very low39Very low190 Ų190139.6 Ų139.683%0.82673%0.728SS**THydrogen-bonded Turntrans-111.23.9-173.3-74.6-178176174.70117.3K674K674-K676 PolarHBondContact O-N 3.11Å
677S38.2Very low38.4Very low101 Ų101141.2 Ų141.271%0.70674%0.74SS**  trans-150.5109.6179.959.70000114.8
678Q32.5Very low37.9Very low180 Ų180142 Ų14284%0.84176%0.755SS**  trans-86.4164.2170.1-71.3173.6-37.900112.2
679T30.7Very low37.2Very low142 Ų142140.5 Ų140.587%0.87176%0.764SS**  trans104.9135.8145.971.90000121
680G31.9Very low36.3Very low75 Ų75145.2 Ų145.277%0.77377%0.773SS**  trans100.8100.6159.600000116.1
681A29.6Very low35.6Very low101 Ų101152.6 Ų152.684%0.83580%0.795SS**  69.2113.173.400000115
682D33Very low34.6Very low168 Ų168154.6 Ų154.690%0.89881%0.807SS**  -179.8156115.7-119.6-26.4000115.7
683Q29.5Very low33.8Very low179 Ų179154.2 Ų154.284%0.83681%0.81SS**  trans-109.2154.8-173.5-62.2172.6-9.400113.2
684S34Very low33Very low112 Ų112152.5 Ų152.578%0.78381%0.81SS**  trans178111.5147.2550000111.8
685N33Very low32.3Very low144 Ų144149.9 Ų149.977%0.7781%0.812SS**  70.3106.389.2-80.4-23.5000116.4
686L31Very low31.4Very low148 Ų148144.5 Ų144.578%0.77581%0.81SS**  97.8165.599.9-84.7165.4000113.1
687P32.6Very low31.2Very low116 Ų116140.9 Ų140.975%0.75381%0.806SS**  cis-141.8179.6-10.328.3-3.2000117
688L25.5Very low30.9Very low174 Ų174142.1 Ų142.191%0.91181%0.811SS**  trans-71.9149.1165.4-78.1105.9000114.9
689A32.3Very low30.6Very low97 Ų97142.5 Ų142.580%0.80281%0.813SS**  trans-159.7113.9150.100000109.5
690R26.2Very low30.6Very low222 Ų222142.6 Ų142.684%0.83881%0.813SS**  68.5101.672.3-130.5-172-164-173.14.2115.1
691W28Very low30.6Very low262 Ų262145 Ų14599%0.99281%0.813SS**  trans-138.5105.8147.2-80.778.3000109.2
692N28.1Very low30.3Very low128 Ų128151.7 Ų151.768%0.68482%0.817SS**  trans-99159.6161.5-92.7-11.3000108.2
693N31.2Very low30Very low151 Ų151148.7 Ų148.781%0.80781%0.806SS**  trans118138.8159.3-67.1-10.5000112.3
694V28.9Very low29.8Very low120 Ų120146.5 Ų146.573%0.72781%0.805SS**  cis-174.7131.38.3135.30000102.5
695S32.2Very low29.5Very low108 Ų108146.4 Ų146.476%0.75580%0.804SS**  175.815177.5-37.20000109.4
696S27.7Very low29.2Very low117 Ų117145.9 Ų145.982%0.81880%0.801SS**  trans-104.9-171.3176.3-40.60000112
697P39.4Very low29Very low114 Ų114144.7 Ų144.774%0.7481%0.805SS**  -119.1-156.8-12332-6.5000112.7
698P31Very low28.8Very low127 Ų127144 Ų14483%0.82580%0.803SS**  -142.4161123.633-15.8000116.6
699Q27.8Very low28.9Very low187 Ų187140.1 Ų140.187%0.87478%0.783SS**  trans-66.7145.2179.6-61.1172-45.100113.5
700V30.8Very low28.7Very low144 Ų144139.4 Ų139.487%0.87379%0.785SS**  trans-136.5143.2153.2-1770000109.5
701T30.5Very low28.9Very low126 Ų126137.2 Ų137.277%0.77378%0.778SS**  trans-81.1155.1-156.742.90000116.7
702R23.5Very low29.8Very low242 Ų242126.9 Ų126.991%0.91374%0.743SS**  trans-55.2147.8168.8-86.7177.8170.1-180-3.4113.3
703P27.8Very low30.6Very low104 Ų104125 Ų12568%0.67573%0.733SS**  -134.8124.7113.420.2-0.8000112
704T25.6Very low31.4Very low133 Ų133121.6 Ų121.682%0.81672%0.715SS**  51.3119.8100.911.40000116
705S25.9Very low32.3Very low110 Ų110123 Ų12377%0.76971%0.713SS**  trans78.892.8170.5146.10000116.4
706L27.7Very low33.9Very low133 Ų133122.9 Ų122.970%0.69670%0.701SS**  trans-136.472.9171.3-80.1165.4000109.6L709L706-L709 HydrophobicContact CB-CD1 3.87Å; L706-L709 HydrophobicContact CD1-CD1 3.93Å; L706-L709 HydrophobicContact CD2-CD1 3.68Å; L706-L709 HydrophobicContact CG-CD1 4.03Å
707S26.7Very low36.5Very low124 Ų124117.5 Ų117.587%0.86766%0.663SS**  trans-90.928.7168.955.30000112
708S27.7Very low38.2Very low101 Ų101114.8 Ų114.871%0.70665%0.647SS**  trans-139.312.8-173.257.60000115.5
709L27.6Very low40.5Very low92 Ų92115.4 Ų115.448%0.48264%0.638SS.*  trans-85122.8171.4-87.3112.2000110.8L706 Y711 M775L706-L709 HydrophobicContact CB-CD1 3.87Å; L706-L709 HydrophobicContact CD1-CD1 3.93Å; L706-L709 HydrophobicContact CD2-CD1 3.68Å; L706-L709 HydrophobicContact CG-CD1 4.03Å; L709-Y711 VanDerWaalsContact C-N 3.3Å; L709-Y711 PolarHBondContact O-N 2.79Å; L709-M775 HydrophobicContact CD2-CE 4.47Å
710G28.1Very low43.3Very low82 Ų82110.4 Ų110.485%0.84561%0.612SS**  trans-56.686.5174.600000112.2V712G710-V712 PolarHBondContact O-N 3.31Å; G710-V712 VanDerWaalsContact O-N 3.14Å
711Y31.6Very low45.9Very low177 Ų177106 Ų10669%0.69459%0.587SS**  trans-55.6117.5160.4-92.8-94.7000107.3L709 N713 L714L709-Y711 VanDerWaalsContact C-N 3.3Å; L709-Y711 PolarHBondContact O-N 2.79Å; Y711-N713 PolarHBondContact O-N 3.13Å; Y711-N713 VanDerWaalsContact O-N 3.12Å; Y711-L714 HydrophobicContact CD1-CD1 4.25Å; Y711-L714 HydrophobicContact CE1-CD1 4.47Å
712V45.3Very low48.9Very low44 Ų44100.3 Ų100.327%0.26755%0.551SS.*  trans-44.4122.2154.4-177.90000105.8G710 L714 L717 F780G710-V712 PolarHBondContact O-N 3.31Å; G710-V712 VanDerWaalsContact O-N 3.14Å; V712-L714 PolarHBondContact O-N 3.08Å; V712-L717 HydrophobicContact CG1-CD1 3.83Å; V712-L717 HydrophobicContact CG1-CD2 4.23Å; V712-L717 HydrophobicContact CG1-CG 3.88Å; V712-F780 HydrophobicContact CG2-CZ 4.06Å
713N45.5Very low52.2Low88 Ų8889.2 Ų89.247%0.47151%0.509SS..  trans-59.9105.4-174.5-159-2.3000107.3Y711 E715 E716Y711-N713 PolarHBondContact O-N 3.13Å; Y711-N713 VanDerWaalsContact O-N 3.12Å; N713-E715 PolarHBondContact O-N 3.47Å; N713-E716 HydrophobicContact CB-CG 4.03Å; N713-E716 WeakPolarHBondContact O-CB 3.33Å; N713-E716 PolarHBondContact O-N 3.47Å
714L48.8Very low55.1Low81 Ų8186.2 Ų86.242%0.42449%0.489SS..Hα-helixtrans-58.3-27.4-169.3-83.9159.9000111.8Y711 V712 E716 Y723Y711-L714 HydrophobicContact CD1-CD1 4.25Å; Y711-L714 HydrophobicContact CE1-CD1 4.47Å; V712-L714 PolarHBondContact O-N 3.08Å; L714-E716 VanDerWaalsContact C-N 3.3Å; L714-E716 PolarHBondContact O-N 2.99Å; L714-Y723 VanDerWaalsContact CD2-OH 3.27Å; L714-Y723 WeakPolarHBondContact CD2-OH 3.48Å
715E48.3Very low58.2Low148 Ų14880.7 Ų80.769%0.69246%0.458SS*.Hα-helixtrans-62.7-34.1173.9-66.8-176169.900112.1N713 S718N713-E715 PolarHBondContact O-N 3.47Å; E715-S718 PolarHBondContact O-OG 3.36Å
716E65.4Low61.3Low106 Ų10680.8 Ų80.850%0.49545%0.447SS..Hα-helixtrans-71.4-34.7-178.8-71.5-177.6160.700113.1N713 L714 S718N713-E716 HydrophobicContact CB-CG 4.03Å; N713-E716 WeakPolarHBondContact O-CB 3.33Å; N713-E716 PolarHBondContact O-N 3.47Å; L714-E716 VanDerWaalsContact C-N 3.3Å; L714-E716 PolarHBondContact O-N 2.99Å; E716-S718 VanDerWaalsContact C-N 3.33Å
717L80.8Confident64.2Low4 Ų475.2 Ų75.22%0.02142%0.417CS..Hα-helixtrans-74.1-26-178.7-67-179.7000112.5V712 H719 Y720 W722 Y723 Y755 L791 V792V712-L717 HydrophobicContact CG1-CD1 3.83Å; V712-L717 HydrophobicContact CG1-CD2 4.23Å; V712-L717 HydrophobicContact CG1-CG 3.88Å; L717-H719 PolarHBondContact O-N 3.19Å; L717-H719 VanDerWaalsContact O-N 3.1Å; L717-Y720 HydrophobicContact CD2-CD2 4.45Å; L717-Y720 PolarHBondContact O-N 2.94Å; L717-W722 HydrophobicContact CD2-CH2 3.99Å; L717-W722 HydrophobicContact CD2-CZ3 4.49Å; L717-Y723 HydrophobicContact CB-CD1 3.42Å; L717-Y723 VanDerWaalsContact CB-CD1 3.42Å; L717-Y723 HydrophobicContact CB-CD2 4.27Å; L717-Y723 HydrophobicContact CB-CE1 3.58Å; L717-Y723 HydrophobicContact CB-CE2 4.44Å; L717-Y723 HydrophobicContact CB-CG 3.78Å; L717-Y723 HydrophobicContact CD1-CD2 4.31Å; L717-Y723 HydrophobicContact CD1-CE1 4.32Å; L717-Y723 HydrophobicContact CD1-CE2 4.01Å; L717-Y723 VanDerWaalsContact O-CB 3.3Å; L717-Y723 WeakPolarHBondContact O-CB 3.26Å; L717-Y723 WeakPolarHBondContact O-CD1 3.4Å; L717-Y755 HydrophobicContact CD1-CE1 4.14Å; L717-L791 HydrophobicContact CD1-CD2 4.06Å; L717-V792 HydrophobicContact CD2-CG2 3.96Å
718S76.2Confident67.3Low58 Ų5872.6 Ų72.641%0.40639%0.394SS..THydrogen-bonded Turntrans-57-29.7-173.771.40000114.1E715 E716 K819E715-S718 PolarHBondContact O-OG 3.36Å; E716-S718 VanDerWaalsContact C-N 3.33Å; S718-K819 PolarHBondContact O-NZ 3.38Å
719H78.7Confident70.4Confident140 Ų14074 Ų7465%0.64838%0.383SS*.THydrogen-bonded Turntrans-74.2-20.9179.4-62.4-72.5000114L717L717-H719 PolarHBondContact O-N 3.19Å; L717-H719 VanDerWaalsContact O-N 3.1Å
720Y86Confident73.4Confident82 Ų8273.6 Ų73.632%0.32238%0.384SS..SBendtrans-75.5132.7-179.5-71.3-88.1000110.8L717 W722 Y723 V792L717-Y720 HydrophobicContact CD2-CD2 4.45Å; L717-Y720 PolarHBondContact O-N 2.94Å; Y720-W722 VanDerWaalsContact CB-CE2 3.43Å; Y720-W722 AromaticContact CD1-CE2 3.62Å; Y720-W722 AromaticContact CD1-CZ2 3.5Å; Y720-W722 HydrophobicContact CD1-CZ2 3.5Å; Y720-W722 VanDerWaalsContact CD1-CZ2 3.5Å; Y720-W722 AromaticContact CD1-NE1 3.54Å; Y720-W722 HydrophobicContact CD2-CH2 4.3Å; Y720-W722 HydrophobicContact CD2-CZ2 4.01Å; Y720-W722 HydrophobicContact CE1-CZ2 4.11Å; Y720-W722 HydrophobicContact CG-CD2 4.44Å; Y720-W722 AromaticContact CG-CE2 3.65Å; Y720-W722 HydrophobicContact CG-CH2 4.08Å; Y720-W722 AromaticContact CG-CZ2 3.43Å; Y720-W722 HydrophobicContact CG-CZ2 3.43Å; Y720-W722 VanDerWaalsContact CG-CZ2 3.43Å; Y720-W722 AromaticContact CG-NE1 3.97Å; Y720-W722 PolarHBondContact O-N 3.48Å; Y720-W722 VanDerWaalsContact O-N 3.1Å; Y720-Y723 PolarHBondContact O-N 3.09Å; Y720-V792 HydrophobicContact CE1-CG1 3.98Å; Y720-V792 HydrophobicContact CE1-CG2 4.48Å; Y720-V792 HydrophobicContact CE2-CG2 3.91Å
721P86.4Confident76.4Confident52 Ų5274.7 Ų74.734%0.33836%0.363SS..THydrogen-bonded Turntrans-66.5-17.2-175.927.2-35.2000113.1P817 K819P721-P817 HydrophobicContact CB-CB 3.85Å; P721-P817 HydrophobicContact CB-CG 3.95Å; P721-P817 HydrophobicContact CG-CB 3.85Å; P721-P817 HydrophobicContact CG-CG 3.74Å; P721-K819 HydrophobicContact CB-CB 4.11Å; P721-K819 WeakPolarHBondContact O-CB 3.45Å; P721-K819 WeakPolarHBondContact O-CG 3.39Å; P721-K819 PolarHBondContact O-N 3.34Å
722W93Very high79.2Confident5 Ų566.3 Ų66.32%0.01933%0.33CS..THydrogen-bonded Turntrans-88.4-19.5176.243.1-106000113.3L717 Y720 F744 L745 V746 V792 V795 P817L717-W722 HydrophobicContact CD2-CH2 3.99Å; L717-W722 HydrophobicContact CD2-CZ3 4.49Å; Y720-W722 VanDerWaalsContact CB-CE2 3.43Å; Y720-W722 AromaticContact CD1-CE2 3.62Å; Y720-W722 AromaticContact CD1-CZ2 3.5Å; Y720-W722 HydrophobicContact CD1-CZ2 3.5Å; Y720-W722 VanDerWaalsContact CD1-CZ2 3.5Å; Y720-W722 AromaticContact CD1-NE1 3.54Å; Y720-W722 HydrophobicContact CD2-CH2 4.3Å; Y720-W722 HydrophobicContact CD2-CZ2 4.01Å; Y720-W722 HydrophobicContact CE1-CZ2 4.11Å; Y720-W722 HydrophobicContact CG-CD2 4.44Å; Y720-W722 AromaticContact CG-CE2 3.65Å; Y720-W722 HydrophobicContact CG-CH2 4.08Å; Y720-W722 AromaticContact CG-CZ2 3.43Å; Y720-W722 HydrophobicContact CG-CZ2 3.43Å; Y720-W722 VanDerWaalsContact CG-CZ2 3.43Å; Y720-W722 AromaticContact CG-NE1 3.97Å; Y720-W722 PolarHBondContact O-N 3.48Å; Y720-W722 VanDerWaalsContact O-N 3.1Å; W722-F744 HydrophobicContact CB-CD2 4.08Å; W722-F744 HydrophobicContact CB-CE2 3.31Å; W722-F744 HydrophobicContact CB-CZ 3.58Å; W722-F744 AromaticContact CD1-CZ 3.98Å; W722-F744 AromaticContact CG-CE2 3.83Å; W722-F744 HydrophobicContact CG-CE2 3.83Å; W722-F744 AromaticContact CG-CZ 3.99Å; W722-F744 HydrophobicContact CG-CZ 3.99Å; W722-L745 CarbonylContact O-C 3.45Å; W722-L745 WeakPolarHBondContact O-CA 3.35Å; W722-V746 HydrophobicContact CB-CG2 4.5Å; W722-V746 HydrophobicContact CD2-CG2 4.14Å; W722-V746 HydrophobicContact CE3-CB 3.6Å; W722-V746 HydrophobicContact CE3-CG1 4.4Å; W722-V746 HydrophobicContact CE3-CG2 3.35Å; W722-V746 HydrophobicContact CZ3-CB 3.9Å; W722-V746 HydrophobicContact CZ3-CG1 4.21Å; W722-V746 HydrophobicContact CZ3-CG2 3.83Å; W722-V746 PolarHBondContact O-N 2.99Å; W722-V792 HydrophobicContact CH2-CG2 4.07Å; W722-V792 HydrophobicContact CZ2-CG2 4.12Å; W722-V795 HydrophobicContact CD2-CG1 4.09Å; W722-V795 HydrophobicContact CD2-CG2 4.42Å; W722-V795 HydrophobicContact CE3-CG2 4.35Å; W722-V795 HydrophobicContact CG-CG1 4.17Å; W722-V795 HydrophobicContact CH2-CG2 4.25Å; W722-V795 HydrophobicContact CZ2-CB 4.27Å; W722-V795 HydrophobicContact CZ2-CG1 4.31Å; W722-V795 HydrophobicContact CZ2-CG2 4.32Å; W722-V795 HydrophobicContact CZ3-CG2 4.27Å; W722-P817 HydrophobicContact CB-CB 3.72Å; W722-P817 HydrophobicContact CG-CB 4.45Å
723Y93.1Very high81.5Confident10 Ų1067.1 Ų67.14%0.03933%0.331CS..EExtended strand (participates in β ladder)trans-88.8124.5-176.4-172.1-115.4000111.2L714 L717 Y720 V746 Y755 K819L714-Y723 VanDerWaalsContact CD2-OH 3.27Å; L714-Y723 WeakPolarHBondContact CD2-OH 3.48Å; L717-Y723 HydrophobicContact CB-CD1 3.42Å; L717-Y723 VanDerWaalsContact CB-CD1 3.42Å; L717-Y723 HydrophobicContact CB-CD2 4.27Å; L717-Y723 HydrophobicContact CB-CE1 3.58Å; L717-Y723 HydrophobicContact CB-CE2 4.44Å; L717-Y723 HydrophobicContact CB-CG 3.78Å; L717-Y723 HydrophobicContact CD1-CD2 4.31Å; L717-Y723 HydrophobicContact CD1-CE1 4.32Å; L717-Y723 HydrophobicContact CD1-CE2 4.01Å; L717-Y723 VanDerWaalsContact O-CB 3.3Å; L717-Y723 WeakPolarHBondContact O-CB 3.26Å; L717-Y723 WeakPolarHBondContact O-CD1 3.4Å; Y720-Y723 PolarHBondContact O-N 3.09Å; Y723-V746 HydrophobicContact CD2-CB 4.24Å; Y723-V746 HydrophobicContact CD2-CG1 4.23Å; Y723-V746 WeakPolarHBondContact CD2-O 3.35Å; Y723-Y755 HydrophobicContact CE2-CD1 4.22Å; Y723-Y755 AromaticContact CE2-CE1 3.77Å; Y723-Y755 HydrophobicContact CE2-CE1 3.77Å; Y723-K819 WeakPolarHBondContact O-CE 3.26Å; Y723-K819 PolarHBondContact O-NZ 3.04Å
724V89.3Confident83.5Confident40 Ų4068.6 Ų68.624%0.24234%0.335CS..EExtended strand (participates in β ladder)trans-112.15.8-178.5-62.90000113.7L727 L745 V746 R747 V818V724-L727 HydrophobicContact CG2-CB 4.06Å; V724-L727 HydrophobicContact CG2-CD2 3.92Å; V724-L745 HydrophobicContact CG1-CB 4.07Å; V724-L745 HydrophobicContact CG1-CD2 4.5Å; V724-L745 HydrophobicContact CG2-CB 4.28Å; V724-L745 HydrophobicContact CG2-CD1 3.77Å; V724-L745 HydrophobicContact CG2-CD2 4.38Å; V724-L745 HydrophobicContact CG2-CG 4.36Å; V724-V746 WeakPolarHBondContact CG2-O 3.2Å; V724-V746 PolarHBondContact N-O 3.3Å; V724-R747 HydrophobicContact CG2-CB 3.9Å; V724-V818 HydrophobicContact CG1-CG1 3.47Å; V724-V818 VanDerWaalsContact CG1-CG1 3.47Å
725G89.5Confident85.4Confident17 Ų1765 Ų6518%0.17532%0.316CS..EExtended strand (participates in β ladder)trans73.5-147.2-17800000113.3L727 R747 F748G725-L727 PolarHBondContact O-N 3.4Å; G725-R747 WeakPolarHBondContact O-CA 3.43Å; G725-F748 PolarHBondContact O-N 2.92Å
726E91Very high87.4Confident113 Ų11358 Ų5853%0.52828%0.284SS..EExtended strand (participates in β ladder)trans-69.4114.1176.8-63.4-161.8163.200110.5F748 R750E726-F748 WeakPolarHBondContact CA-O 3.27Å; E726-F748 HydrophobicContact CG-CD1 4.25Å; E726-R750 WeakPolarHBondContact OE2-CD 3.42Å; E726-R750 IonicContact OE2-NH1 2.87Å
727L90.1Very high88.4Confident16 Ų1657.7 Ų57.78%0.08428%0.281CS..  trans-145130.5176-161.273.1000110.5V724 G725 R731 A732 L735 L745 R747 F748 F883V724-L727 HydrophobicContact CG2-CB 4.06Å; V724-L727 HydrophobicContact CG2-CD2 3.92Å; G725-L727 PolarHBondContact O-N 3.4Å; L727-R731 HydrophobicContact CD1-CB 3.72Å; L727-R731 HydrophobicContact CD2-CB 4.47Å; L727-R731 HydrophobicContact CG-CB 3.92Å; L727-A732 HydrophobicContact CD2-CB 3.8Å; L727-L735 HydrophobicContact CD2-CD1 3.59Å; L727-L745 HydrophobicContact CD2-CD1 4.4Å; L727-L745 HydrophobicContact CD2-CD2 4.16Å; L727-R747 HydrophobicContact CB-CB 3.74Å; L727-R747 VanDerWaalsContact O-CD 3.27Å; L727-R747 WeakPolarHBondContact O-CD 3.44Å; L727-R747 PolarHBondContact O-NH1 3.37Å; L727-F748 PolarHBondContact N-O 3.01Å; L727-F883 HydrophobicContact CD1-CD1 4.15Å; L727-F883 HydrophobicContact CD1-CE1 4.07Å
728D91.3Very high88.4Confident69 Ų6958.1 Ų58.137%0.36929%0.286SS..  trans-74.1167.5173.774.169.5000111.8V730 R731 A732D728-V730 WeakPolarHBondContact OD1-CA 3.3Å; D728-V730 WeakPolarHBondContact OD1-CB 3.47Å; D728-V730 PolarHBondContact OD1-N 2.9Å; D728-R731 PolarHBondContact OD1-N 3.23Å; D728-R731 WeakPolarHBondContact OD2-CD 3.45Å; D728-R731 VanDerWaalsContact OD2-CG 3.25Å; D728-R731 WeakPolarHBondContact OD2-CG 3.42Å; D728-R731 IonicContact OD2-NE 3.51Å; D728-R731 PolarHBondContact OD2-NE 3.39Å; D728-A732 WeakPolarHBondContact O-CB 3.48Å; D728-A732 PolarHBondContact O-N 3.33Å; D728-A732 VanDerWaalsContact O-N 3.08Å
729R92.5Very high88.8Confident129 Ų12955.3 Ų55.349%0.48727%0.266SS..Hα-helixtrans-63.4-42.3-176.8-178.3-178.5169.1150.1-0.5112.3A732 E733 H770R729-A732 PolarHBondContact O-N 3.48Å; R729-E733 IonicContact CZ-OE1 2.73Å; R729-E733 IonicContact NE-OE1 3.23Å; R729-E733 PolarHBondContact NE-OE1 2.94Å; R729-E733 IonicContact NH2-OE1 3.52Å; R729-E733 PolarHBondContact NH2-OE1 3.38Å; R729-E733 WeakPolarHBondContact O-CG 3.41Å; R729-E733 PolarHBondContact O-N 3.43Å; R729-H770 WeakPolarHBondContact CG-NE2 3.26Å; R729-H770 VanDerWaalsContact CZ-CD2 3.44Å; R729-H770 PolarHBondContact NE-CD2 3.11Å
730V91.7Very high88.8Confident84 Ų8450.3 Ų50.351%0.50925%0.246SC..Hα-helixtrans-68.9-44.1-173.6179.70000109.9D728 A732 E733 Q734D728-V730 WeakPolarHBondContact OD1-CA 3.3Å; D728-V730 WeakPolarHBondContact OD1-CB 3.47Å; D728-V730 PolarHBondContact OD1-N 2.9Å; V730-A732 VanDerWaalsContact C-N 3.34Å; V730-A732 PolarHBondContact O-N 3.44Å; V730-E733 PolarHBondContact O-N 3.26Å; V730-Q734 WeakPolarHBondContact O-CG 3.17Å; V730-Q734 PolarHBondContact O-N 2.93Å
731R89.2Confident88.8Confident106 Ų10649 Ų4940%0.424%0.244SC..Hα-helixtrans-61.6-41173.4-75.8-174.7-176.6-163.2-8112.3L727 D728 Q734 L735 F883 G884L727-R731 HydrophobicContact CD1-CB 3.72Å; L727-R731 HydrophobicContact CD2-CB 4.47Å; L727-R731 HydrophobicContact CG-CB 3.92Å; D728-R731 PolarHBondContact OD1-N 3.23Å; D728-R731 WeakPolarHBondContact OD2-CD 3.45Å; D728-R731 VanDerWaalsContact OD2-CG 3.25Å; D728-R731 WeakPolarHBondContact OD2-CG 3.42Å; D728-R731 IonicContact OD2-NE 3.51Å; D728-R731 PolarHBondContact OD2-NE 3.39Å; R731-Q734 PolarHBondContact O-N 2.94Å; R731-L735 WeakPolarHBondContact O-CG 3.31Å; R731-L735 PolarHBondContact O-N 3.29Å; R731-F883 HydrophobicContact CB-CE1 4.09Å; R731-F883 HydrophobicContact CG-CE1 4.45Å; R731-G884 PolarHBondContact NH1-O 2.84Å
732A92.3Very high88.8Confident0 Ų046.5 Ų46.50%023%0.227CC..Hα-helixtrans-62.5-42174.100000112.2L727 D728 R729 V730 L735 I736 L745L727-A732 HydrophobicContact CD2-CB 3.8Å; D728-A732 WeakPolarHBondContact O-CB 3.48Å; D728-A732 PolarHBondContact O-N 3.33Å; D728-A732 VanDerWaalsContact O-N 3.08Å; R729-A732 PolarHBondContact O-N 3.48Å; V730-A732 VanDerWaalsContact C-N 3.34Å; V730-A732 PolarHBondContact O-N 3.44Å; A732-L735 PolarHBondContact O-N 3.41Å; A732-I736 WeakPolarHBondContact O-CG1 3.36Å; A732-I736 PolarHBondContact O-N 3.17Å; A732-L745 HydrophobicContact CB-CD1 4.11Å; A732-L745 HydrophobicContact CB-CD2 4.3Å
733E92.5Very high88.7Confident61 Ų6146.2 Ų46.229%0.28523%0.227SC..Hα-helixtrans-61.4-43174.2-70.2176.3-176.100111.2R729 V730 L735 K737 V768 H770R729-E733 IonicContact CZ-OE1 2.73Å; R729-E733 IonicContact NE-OE1 3.23Å; R729-E733 PolarHBondContact NE-OE1 2.94Å; R729-E733 IonicContact NH2-OE1 3.52Å; R729-E733 PolarHBondContact NH2-OE1 3.38Å; R729-E733 WeakPolarHBondContact O-CG 3.41Å; R729-E733 PolarHBondContact O-N 3.43Å; V730-E733 PolarHBondContact O-N 3.26Å; E733-L735 VanDerWaalsContact C-N 3.31Å; E733-L735 PolarHBondContact O-N 2.96Å; E733-K737 WeakPolarHBondContact O-CB 3.39Å; E733-K737 PolarHBondContact O-N 3.4Å; E733-V768 HydrophobicContact CG-CB 4.15Å; E733-V768 HydrophobicContact CG-CG1 4.3Å; E733-H770 WeakPolarHBondContact CG-NE2 3.39Å; E733-H770 IonicContact OE1-CD2 2.89Å; E733-H770 IonicContact OE1-NE2 3Å; E733-H770 PolarHBondContact OE1-NE2 3.48Å
734Q87.6Confident88.8Confident119 Ų11945.8 Ų45.856%0.55623%0.225SC*.Hα-helixtrans-62.3-35.5177-72.7172.2-13.300113.3V730 R731V730-Q734 WeakPolarHBondContact O-CG 3.17Å; V730-Q734 PolarHBondContact O-N 2.93Å; R731-Q734 PolarHBondContact O-N 2.94Å
735L88.1Confident89.1Confident6 Ų643.9 Ų43.93%0.03121%0.213CC..Hα-helixtrans-70.4-40.8-179.1-80.2177.9000113.9L727 R731 A732 E733 L739 L745 I822 F825 I849 M864 F883L727-L735 HydrophobicContact CD2-CD1 3.59Å; R731-L735 WeakPolarHBondContact O-CG 3.31Å; R731-L735 PolarHBondContact O-N 3.29Å; A732-L735 PolarHBondContact O-N 3.41Å; E733-L735 VanDerWaalsContact C-N 3.31Å; E733-L735 PolarHBondContact O-N 2.96Å; L735-L739 WeakPolarHBondContact O-CD1 3.49Å; L735-L745 HydrophobicContact CB-CD2 4.34Å; L735-L745 HydrophobicContact CD1-CD2 4.06Å; L735-I822 HydrophobicContact CD2-CD1 3.98Å; L735-F825 HydrophobicContact CD2-CE1 3.6Å; L735-F825 HydrophobicContact CD2-CZ 3.94Å; L735-I849 HydrophobicContact CD2-CD1 4.08Å; L735-M864 WeakPolarHBondContact O-CE 3.36Å; L735-F883 HydrophobicContact CD1-CD1 3.89Å; L735-F883 HydrophobicContact CD1-CE1 3.65Å; L735-F883 HydrophobicContact CD1-CZ 4.07Å; L735-F883 HydrophobicContact CD2-CD1 3.99Å; L735-F883 HydrophobicContact CD2-CD2 3.55Å; L735-F883 HydrophobicContact CD2-CE1 3.74Å; L735-F883 HydrophobicContact CD2-CE2 3.22Å; L735-F883 HydrophobicContact CD2-CG 3.91Å; L735-F883 HydrophobicContact CD2-CZ 3.35Å; L735-F883 HydrophobicContact CG-CD1 4.11Å; L735-F883 HydrophobicContact CG-CD2 4.42Å; L735-F883 HydrophobicContact CG-CE1 3.54Å; L735-F883 HydrophobicContact CG-CE2 3.86Å; L735-F883 HydrophobicContact CG-CZ 3.39Å
736I89.9Confident89.4Confident0 Ų043 Ų430%021%0.205CC..Hα-helixtrans-118.5-8.5-167.272.9-178.3000115A732 G738 L739 T743 L745 S758 V768 V818A732-I736 WeakPolarHBondContact O-CG1 3.36Å; A732-I736 PolarHBondContact O-N 3.17Å; I736-G738 PolarHBondContact O-N 3.33Å; I736-L739 HydrophobicContact CB-CD1 4.13Å; I736-L739 HydrophobicContact CG2-CD1 4.14Å; I736-L739 WeakPolarHBondContact O-CB 3.35Å; I736-L739 PolarHBondContact O-N 3.23Å; I736-L739 VanDerWaalsContact O-N 3.1Å; I736-T743 HydrophobicContact CB-CG2 4.44Å; I736-T743 HydrophobicContact CG2-CG2 4.29Å; I736-L745 HydrophobicContact CD1-CD2 4.46Å; I736-L745 HydrophobicContact CD1-CG 4.38Å; I736-L745 HydrophobicContact CG2-CD2 3.78Å; I736-S758 WeakPolarHBondContact CD1-O 3.41Å; I736-V768 HydrophobicContact CD1-CG1 3.79Å; I736-V768 HydrophobicContact CD1-CG2 4.41Å; I736-V768 HydrophobicContact CG1-CB 4.46Å; I736-V768 HydrophobicContact CG1-CG1 3.92Å; I736-V768 HydrophobicContact CG1-CG2 3.67Å; I736-V818 HydrophobicContact CG2-CB 4.38Å; I736-V818 HydrophobicContact CG2-CG2 3.74Å
737K88.2Confident89.5Confident101 Ų10138.2 Ų38.244%0.43918%0.182SC..THydrogen-bonded Turntrans-62.9129.4173.8-175.4173.8-174.2170.70109.8E733 L739 V768 G867E733-K737 WeakPolarHBondContact O-CB 3.39Å; E733-K737 PolarHBondContact O-N 3.4Å; K737-L739 VanDerWaalsContact C-N 3.3Å; K737-V768 HydrophobicContact CB-CG2 3.74Å; K737-V768 HydrophobicContact CG-CG2 4.44Å; K737-G867 WeakPolarHBondContact O-CA 3.39Å
738G80.5Confident89.6Confident12 Ų1238.9 Ų38.912%0.12418%0.184CC..THydrogen-bonded Turntrans86.3-9.2-175.900000115I736 Y766I736-G738 PolarHBondContact O-N 3.33Å; G738-Y766 PolarHBondContact N-O 3.41Å
739L83.4Confident89.5Confident0 Ų036.2 Ų36.20%017%0.171CC..SBendtrans-75.9160.2171.4-63.6-173.7000111.2L735 I736 K737 T743 S760 Y766 I821 I822 L851 M864 M869L735-L739 WeakPolarHBondContact O-CD1 3.49Å; I736-L739 HydrophobicContact CB-CD1 4.13Å; I736-L739 HydrophobicContact CG2-CD1 4.14Å; I736-L739 WeakPolarHBondContact O-CB 3.35Å; I736-L739 PolarHBondContact O-N 3.23Å; I736-L739 VanDerWaalsContact O-N 3.1Å; K737-L739 VanDerWaalsContact C-N 3.3Å; L739-T743 HydrophobicContact CB-CG2 4.02Å; L739-T743 HydrophobicContact CD1-CG2 3.72Å; L739-S760 PolarHBondContact O-OG 2.97Å; L739-Y766 VanDerWaalsContact O-CD1 3.31Å; L739-Y766 WeakPolarHBondContact O-CD1 3.47Å; L739-I821 HydrophobicContact CD1-CG2 4.05Å; L739-I821 HydrophobicContact CD2-CG2 4.04Å; L739-I822 HydrophobicContact CD1-CD1 4.44Å; L739-I822 HydrophobicContact CD1-CG1 4.45Å; L739-L851 HydrophobicContact CD2-CD1 4.33Å; L739-L851 HydrophobicContact CD2-CD2 3.93Å; L739-M864 HydrophobicContact CD1-CE 4.41Å; L739-M864 HydrophobicContact CD2-CE 3.77Å; L739-M864 HydrophobicContact CD2-SD 3.59Å; L739-M864 VanDerWaalsContact CD2-SD 3.59Å; L739-M864 HydrophobicContact CG-CE 3.84Å; L739-M864 HydrophobicContact CG-SD 4.02Å; L739-M869 HydrophobicContact CD2-SD 3.91Å
740P79.5Confident89Confident35 Ų3538.9 Ų38.923%0.22718%0.181CC..PPolyproline II helixtrans-49.6151.1-179.5-30.335000114.9E631 G742 T743 I816E631-P740 WeakPolarHBondContact OE1-CA 3.22Å; P740-G742 PolarHBondContact O-N 2.97Å; P740-T743 VanDerWaalsContact O-CB 3.31Å; P740-T743 WeakPolarHBondContact O-CB 3.37Å; P740-T743 PolarHBondContact O-N 3.11Å; P740-T743 PolarHBondContact O-OG1 3.23Å; P740-I816 HydrophobicContact CB-CD1 4.1Å
741M86.2Confident88.4Confident53 Ų5339.8 Ų39.826%0.26120%0.197SC..THydrogen-bonded Turntrans-62129.8-178.4179.9178.580.800110.7F762 Y766 T812M741-F762 HydrophobicContact SD-CB 4.03Å; M741-Y766 HydrophobicContact CB-CD1 4.49Å; M741-Y766 HydrophobicContact CB-CE1 3.97Å; M741-T812 HydrophobicContact CG-CG2 4.4Å
742G87Confident88.1Confident0 Ų042.6 Ų42.60%021%0.208CC..THydrogen-bonded Turntrans89.4-0.2-175.200000113.8P740 F744 S760 K815 I816P740-G742 PolarHBondContact O-N 2.97Å; G742-F744 PolarHBondContact O-N 3.42Å; G742-S760 PolarHBondContact N-O 2.81Å; G742-K815 PolarHBondContact O-N 3.44Å; G742-I816 PolarHBondContact O-N 3.18Å
743T89.4Confident87.7Confident0 Ų047.4 Ų47.40%024%0.241CC..EExtended strand (participates in β ladder)trans-63.7126.1167.3-61.30000109.9I736 L739 P740 I759 S760 I816 I821I736-T743 HydrophobicContact CB-CG2 4.44Å; I736-T743 HydrophobicContact CG2-CG2 4.29Å; L739-T743 HydrophobicContact CB-CG2 4.02Å; L739-T743 HydrophobicContact CD1-CG2 3.72Å; P740-T743 VanDerWaalsContact O-CB 3.31Å; P740-T743 WeakPolarHBondContact O-CB 3.37Å; P740-T743 PolarHBondContact O-N 3.11Å; P740-T743 PolarHBondContact O-OG1 3.23Å; T743-I759 CarbonylContact O-C 3.58Å; T743-I759 WeakPolarHBondContact O-CA 3.31Å; T743-S760 PolarHBondContact O-N 3.09Å; T743-I816 CarbonylContact C-O 3.59Å; T743-I816 WeakPolarHBondContact CA-O 3.35Å; T743-I821 HydrophobicContact CG2-CD1 3.78Å; T743-I821 WeakPolarHBondContact OG1-CD1 3.22Å
744F95.6Very high87.5Confident0 Ų046.1 Ų46.10%024%0.235CC..EExtended strand (participates in β ladder)trans-140.5158.1-172.977.5-76.4000113.2W722 G742 V746 I757 S758 I759 V795 E799 L814 I816 P817 V818W722-F744 HydrophobicContact CB-CD2 4.08Å; W722-F744 HydrophobicContact CB-CE2 3.31Å; W722-F744 HydrophobicContact CB-CZ 3.58Å; W722-F744 AromaticContact CD1-CZ 3.98Å; W722-F744 AromaticContact CG-CE2 3.83Å; W722-F744 HydrophobicContact CG-CE2 3.83Å; W722-F744 AromaticContact CG-CZ 3.99Å; W722-F744 HydrophobicContact CG-CZ 3.99Å; G742-F744 PolarHBondContact O-N 3.42Å; F744-V746 HydrophobicContact CE2-CG2 4.42Å; F744-I757 HydrophobicContact CB-CG2 4.38Å; F744-I757 HydrophobicContact CD2-CG2 4.16Å; F744-S758 CarbonylContact C-O 3.58Å; F744-S758 WeakPolarHBondContact CA-O 3.36Å; F744-I759 HydrophobicContact CB-CB 4.1Å; F744-I759 HydrophobicContact CB-CG1 4.06Å; F744-V795 HydrophobicContact CE2-CG1 3.77Å; F744-V795 HydrophobicContact CZ-CG1 3.99Å; F744-E799 HydrophobicContact CZ-CG 4.25Å; F744-E799 WeakPolarHBondContact CZ-OE1 3.34Å; F744-L814 HydrophobicContact CB-CD2 3.83Å; F744-L814 HydrophobicContact CD1-CB 3.66Å; F744-L814 HydrophobicContact CD1-CD2 4.33Å; F744-L814 HydrophobicContact CD2-CB 4.01Å; F744-L814 HydrophobicContact CD2-CD1 4.09Å; F744-L814 HydrophobicContact CD2-CD2 3.79Å; F744-L814 HydrophobicContact CD2-CG 4.18Å; F744-L814 VanDerWaalsContact CE1-C 3.45Å; F744-L814 HydrophobicContact CE1-CB 3.59Å; F744-L814 VanDerWaalsContact CE1-O 3.22Å; F744-L814 WeakPolarHBondContact CE1-O 3.41Å; F744-L814 HydrophobicContact CE2-CB 3.92Å; F744-L814 HydrophobicContact CE2-CD1 3.97Å; F744-L814 HydrophobicContact CE2-CD2 4.43Å; F744-L814 HydrophobicContact CE2-CG 4.33Å; F744-L814 HydrophobicContact CG-CB 3.87Å; F744-L814 HydrophobicContact CG-CD2 3.72Å; F744-L814 HydrophobicContact CG-CG 4.28Å; F744-L814 HydrophobicContact CZ-CB 3.72Å; F744-L814 HydrophobicContact CZ-CD1 4.48Å; F744-I816 WeakPolarHBondContact CD1-O 3.33Å; F744-I816 PolarHBondContact N-O 3.37Å; F744-P817 HydrophobicContact CE1-CB 4.14Å; F744-P817 HydrophobicContact CZ-CB 4.24Å; F744-V818 WeakPolarHBondContact O-CB 3.38Å; F744-V818 PolarHBondContact O-N 2.88Å
745L95.8Very high87.8Confident0 Ų041.4 Ų41.40%021%0.212CC..EExtended strand (participates in β ladder)trans-139.8147.7170.365.878.2000110.7W722 V724 L727 A732 L735 I736 R747 I757 S758 V818W722-L745 CarbonylContact O-C 3.45Å; W722-L745 WeakPolarHBondContact O-CA 3.35Å; V724-L745 HydrophobicContact CG1-CB 4.07Å; V724-L745 HydrophobicContact CG1-CD2 4.5Å; V724-L745 HydrophobicContact CG2-CB 4.28Å; V724-L745 HydrophobicContact CG2-CD1 3.77Å; V724-L745 HydrophobicContact CG2-CD2 4.38Å; V724-L745 HydrophobicContact CG2-CG 4.36Å; L727-L745 HydrophobicContact CD2-CD1 4.4Å; L727-L745 HydrophobicContact CD2-CD2 4.16Å; A732-L745 HydrophobicContact CB-CD1 4.11Å; A732-L745 HydrophobicContact CB-CD2 4.3Å; L735-L745 HydrophobicContact CB-CD2 4.34Å; L735-L745 HydrophobicContact CD1-CD2 4.06Å; I736-L745 HydrophobicContact CD1-CD2 4.46Å; I736-L745 HydrophobicContact CD1-CG 4.38Å; I736-L745 HydrophobicContact CG2-CD2 3.78Å; L745-R747 HydrophobicContact CD1-CB 3.85Å; L745-R747 HydrophobicContact CD1-CG 4.01Å; L745-I757 CarbonylContact O-C 3.41Å; L745-I757 WeakPolarHBondContact O-CA 3.49Å; L745-S758 PolarHBondContact N-O 3.35Å; L745-S758 PolarHBondContact O-N 3.18Å; L745-V818 HydrophobicContact CB-CB 3.94Å; L745-V818 HydrophobicContact CB-CG1 3.55Å; L745-V818 HydrophobicContact CD2-CG1 4.46Å; L745-V818 HydrophobicContact CD2-CG2 4.44Å
746V95.7Very high88.1Confident0 Ų041.2 Ų41.20%021%0.212CC..EExtended strand (participates in β ladder)trans-105.1123.4170.8-1740000107.8W722 Y723 V724 F744 Y755 I757 L791 V795W722-V746 HydrophobicContact CB-CG2 4.5Å; W722-V746 HydrophobicContact CD2-CG2 4.14Å; W722-V746 HydrophobicContact CE3-CB 3.6Å; W722-V746 HydrophobicContact CE3-CG1 4.4Å; W722-V746 HydrophobicContact CE3-CG2 3.35Å; W722-V746 HydrophobicContact CZ3-CB 3.9Å; W722-V746 HydrophobicContact CZ3-CG1 4.21Å; W722-V746 HydrophobicContact CZ3-CG2 3.83Å; W722-V746 PolarHBondContact O-N 2.99Å; Y723-V746 HydrophobicContact CD2-CB 4.24Å; Y723-V746 HydrophobicContact CD2-CG1 4.23Å; Y723-V746 WeakPolarHBondContact CD2-O 3.35Å; V724-V746 WeakPolarHBondContact CG2-O 3.2Å; V724-V746 PolarHBondContact N-O 3.3Å; F744-V746 HydrophobicContact CE2-CG2 4.42Å; V746-Y755 HydrophobicContact CG1-CD1 4.38Å; V746-I757 HydrophobicContact CG2-CG1 4.21Å; V746-L791 HydrophobicContact CG1-CD1 4.31Å; V746-L791 HydrophobicContact CG1-CD2 3.84Å; V746-L791 HydrophobicContact CG1-CG 4.33Å; V746-V795 HydrophobicContact CG2-CG2 3.76Å
747R94.2Very high88.4Confident11 Ų1141.2 Ų41.24%0.04221%0.212CC..EExtended strand (participates in β ladder)trans-124.4150-178.462.7-170.7-17473.67.3110.8V724 G725 L727 L745 Y755 A756 S758V724-R747 HydrophobicContact CG2-CB 3.9Å; G725-R747 WeakPolarHBondContact O-CA 3.43Å; L727-R747 HydrophobicContact CB-CB 3.74Å; L727-R747 VanDerWaalsContact O-CD 3.27Å; L727-R747 WeakPolarHBondContact O-CD 3.44Å; L727-R747 PolarHBondContact O-NH1 3.37Å; L745-R747 HydrophobicContact CD1-CB 3.85Å; L745-R747 HydrophobicContact CD1-CG 4.01Å; R747-Y755 CarbonylContact O-C 3.53Å; R747-Y755 WeakPolarHBondContact O-CA 3.35Å; R747-A756 HydrophobicContact CG-CB 4.25Å; R747-A756 PolarHBondContact N-O 2.81Å; R747-A756 PolarHBondContact O-N 3.39Å; R747-S758 PolarHBondContact NE-OG 3.19Å; R747-S758 VanDerWaalsContact NE-OG 3.15Å
748F92.1Very high88.8Confident30 Ų3036.4 Ų36.413%0.13219%0.191CC..EExtended strand (participates in β ladder)trans-93.2124.3166.7-170.7-104.3000109.9G725 E726 L727 R750 Y755G725-F748 PolarHBondContact O-N 2.92Å; E726-F748 WeakPolarHBondContact CA-O 3.27Å; E726-F748 HydrophobicContact CG-CD1 4.25Å; L727-F748 PolarHBondContact N-O 3.01Å; F748-R750 PolarHBondContact O-N 3.22Å; F748-Y755 HydrophobicContact CB-CD1 4.19Å; F748-Y755 HydrophobicContact CB-CE1 4.08Å; F748-Y755 AromaticContact CD2-CD1 3.88Å; F748-Y755 HydrophobicContact CD2-CD1 3.88Å; F748-Y755 HydrophobicContact CD2-CD2 4.3Å; F748-Y755 AromaticContact CD2-CE1 3.74Å; F748-Y755 HydrophobicContact CD2-CE1 3.74Å; F748-Y755 HydrophobicContact CD2-CE2 4.18Å; F748-Y755 HydrophobicContact CD2-CG 4.16Å; F748-Y755 AromaticContact CD2-CZ 3.91Å; F748-Y755 HydrophobicContact CE2-CE2 4.45Å; F748-Y755 HydrophobicContact CG-CE1 4.35Å
749S87.9Confident89.5Confident14 Ų1435.9 Ų35.910%0.09819%0.185CC..EExtended strand (participates in β ladder)trans-94.494.6178.5177.70000109.7A751 R752 S753 Q754S749-A751 PolarHBondContact O-N 3.41Å; S749-A751 VanDerWaalsContact O-N 3.16Å; S749-R752 CarbonylContact O-C 3.46Å; S749-R752 PolarHBondContact O-N 2.86Å; S749-S753 PolarHBondContact O-N 3.37Å; S749-Q754 PolarHBondContact N-O 3.44Å
750R82.5Confident89.8Confident184 Ų18435.9 Ų35.969%0.69419%0.185SC*.G310 helixtrans-51.5-40.7179.5-172.5171.5-179.3163.5-0.3113.7E726 F748 R752 S753E726-R750 WeakPolarHBondContact OE2-CD 3.42Å; E726-R750 IonicContact OE2-NH1 2.87Å; F748-R750 PolarHBondContact O-N 3.22Å; R750-R752 PolarHBondContact O-N 2.85Å; R750-S753 PolarHBondContact O-N 3.27Å
751A79.7Confident90.2Very high103 Ų10335.7 Ų35.785%0.85118%0.181SC*.G310 helixtrans-64-20.1178.700000114.6S749S749-A751 PolarHBondContact O-N 3.41Å; S749-A751 VanDerWaalsContact O-N 3.16Å
752R81.6Confident89.8Confident166 Ų16638.1 Ų38.163%0.62619%0.19SC*.G310 helixtrans-119.8-0.6-178.8-65.8-174.6178.7-179.3-3.3112.8S749 R750 Q754S749-R752 CarbonylContact O-C 3.46Å; S749-R752 PolarHBondContact O-N 2.86Å; R750-R752 PolarHBondContact O-N 2.85Å; R752-Q754 HydrophobicContact CB-CG 3.67Å; R752-Q754 PolarHBondContact O-N 2.67Å
753S83.5Confident89.1Confident100 Ų10040.7 Ų40.770%0.69920%0.203SC*.THydrogen-bonded Turntrans45.543.9-174.8-59.40000113.5S749 R750S749-S753 PolarHBondContact O-N 3.37Å; R750-S753 PolarHBondContact O-N 3.27Å
754Q88.7Confident88.3Confident34 Ų3448.7 Ų48.716%0.15924%0.241CC..EExtended strand (participates in β ladder)trans-145.4154.2-174.673.6-171.738.700111.4S749 R752S749-Q754 PolarHBondContact N-O 3.44Å; R752-Q754 HydrophobicContact CB-CG 3.67Å; R752-Q754 PolarHBondContact O-N 2.67Å
755Y93.6Very high87.2Confident20 Ų2058.6 Ų58.68%0.07828%0.278CS..EExtended strand (participates in β ladder)trans-77.4152.4168.9-66.7-78.2000111.4L717 Y723 V746 R747 F748 V773 F780 L791L717-Y755 HydrophobicContact CD1-CE1 4.14Å; Y723-Y755 HydrophobicContact CE2-CD1 4.22Å; Y723-Y755 AromaticContact CE2-CE1 3.77Å; Y723-Y755 HydrophobicContact CE2-CE1 3.77Å; V746-Y755 HydrophobicContact CG1-CD1 4.38Å; R747-Y755 CarbonylContact O-C 3.53Å; R747-Y755 WeakPolarHBondContact O-CA 3.35Å; F748-Y755 HydrophobicContact CB-CD1 4.19Å; F748-Y755 HydrophobicContact CB-CE1 4.08Å; F748-Y755 AromaticContact CD2-CD1 3.88Å; F748-Y755 HydrophobicContact CD2-CD1 3.88Å; F748-Y755 HydrophobicContact CD2-CD2 4.3Å; F748-Y755 AromaticContact CD2-CE1 3.74Å; F748-Y755 HydrophobicContact CD2-CE1 3.74Å; F748-Y755 HydrophobicContact CD2-CE2 4.18Å; F748-Y755 HydrophobicContact CD2-CG 4.16Å; F748-Y755 AromaticContact CD2-CZ 3.91Å; F748-Y755 HydrophobicContact CE2-CE2 4.45Å; F748-Y755 HydrophobicContact CG-CE1 4.35Å; Y755-V773 PolarHBondContact O-N 2.86Å; Y755-V773 VanDerWaalsContact O-N 3.14Å; Y755-F780 HydrophobicContact CD2-CE1 4.14Å; Y755-F780 HydrophobicContact CE2-CE1 4.38Å; Y755-L791 HydrophobicContact CD1-CD2 3.56Å; Y755-L791 HydrophobicContact CD2-CD2 4.01Å; Y755-L791 HydrophobicContact CE1-CD2 3.76Å; Y755-L791 HydrophobicContact CE2-CD2 4.19Å; Y755-L791 HydrophobicContact CG-CD1 4.44Å; Y755-L791 HydrophobicContact CG-CD2 3.69Å
756A95.2Very high86.4Confident3 Ų361.7 Ų61.73%0.02529%0.29CS..EExtended strand (participates in β ladder)trans-145144.5172.200000110.2R747 L771R747-A756 HydrophobicContact CG-CB 4.25Å; R747-A756 PolarHBondContact N-O 2.81Å; R747-A756 PolarHBondContact O-N 3.39Å; A756-L771 CarbonylContact C-O 3.6Å; A756-L771 VanDerWaalsContact CA-O 3.25Å; A756-L771 WeakPolarHBondContact CA-O 3.4Å
757I95.9Very high86Confident0 Ų065.5 Ų65.50%031%0.308CS..EExtended strand (participates in β ladder)trans-100.2125.9172.1-50.9-175.4000107.7F744 L745 V746 H770 L771 V773 L782 L794 L814F744-I757 HydrophobicContact CB-CG2 4.38Å; F744-I757 HydrophobicContact CD2-CG2 4.16Å; L745-I757 CarbonylContact O-C 3.41Å; L745-I757 WeakPolarHBondContact O-CA 3.49Å; V746-I757 HydrophobicContact CG2-CG1 4.21Å; I757-H770 CarbonylContact O-C 3.51Å; I757-H770 WeakPolarHBondContact O-CA 3.26Å; I757-L771 HydrophobicContact CB-CB 4.25Å; I757-L771 PolarHBondContact N-O 3.48Å; I757-L771 PolarHBondContact O-N 3.24Å; I757-V773 HydrophobicContact CD1-CG2 4.32Å; I757-V773 HydrophobicContact CG1-CG2 3.87Å; I757-L782 HydrophobicContact CD1-CD1 4.21Å; I757-L782 HydrophobicContact CD1-CD2 4.3Å; I757-L794 HydrophobicContact CD1-CD2 3.66Å; I757-L814 HydrophobicContact CD1-CD1 4.07Å; I757-L814 HydrophobicContact CG2-CD2 3.74Å
758S96.5Very high85.9Confident0 Ų065.9 Ų65.90%031%0.312CS..EExtended strand (participates in β ladder)trans-108.4126.2172.2-46.40000107.6I736 F744 L745 R747 K769 H770I736-S758 WeakPolarHBondContact CD1-O 3.41Å; F744-S758 CarbonylContact C-O 3.58Å; F744-S758 WeakPolarHBondContact CA-O 3.36Å; L745-S758 PolarHBondContact N-O 3.35Å; L745-S758 PolarHBondContact O-N 3.18Å; R747-S758 PolarHBondContact NE-OG 3.19Å; R747-S758 VanDerWaalsContact NE-OG 3.15Å; S758-K769 CarbonylContact C-O 3.52Å; S758-K769 WeakPolarHBondContact CA-O 3.26Å; S758-H770 VanDerWaalsContact CB-ND1 3.34Å; S758-H770 WeakPolarHBondContact CB-ND1 3.5Å; S758-H770 PolarHBondContact OG-CE1 2.76Å; S758-H770 PolarHBondContact OG-ND1 3.01Å
759I94.9Very high85.9Confident0 Ų068.5 Ų68.50%032%0.323CS..EExtended strand (participates in β ladder)trans-131.9132.2-173.2-173.4178.5000110.7T743 F744 V768 K769 L803 L810 T812 L814T743-I759 CarbonylContact O-C 3.58Å; T743-I759 WeakPolarHBondContact O-CA 3.31Å; F744-I759 HydrophobicContact CB-CB 4.1Å; F744-I759 HydrophobicContact CB-CG1 4.06Å; I759-V768 CarbonylContact O-C 3.57Å; I759-V768 WeakPolarHBondContact O-CA 3.42Å; I759-K769 HydrophobicContact CG2-CB 3.94Å; I759-K769 PolarHBondContact N-O 2.82Å; I759-K769 PolarHBondContact O-N 3.27Å; I759-L803 HydrophobicContact CD1-CD1 3.57Å; I759-L810 HydrophobicContact CG2-CD1 4.06Å; I759-L810 HydrophobicContact CG2-CD2 4.24Å; I759-T812 HydrophobicContact CD1-CG2 3.59Å; I759-L814 HydrophobicContact CD1-CD2 3.88Å
760S90.2Very high86.2Confident0 Ų069.3 Ų69.30%033%0.325CS..EExtended strand (participates in β ladder)trans-73.6128.7168.9-179.10000109.7L739 G742 T743 E767L739-S760 PolarHBondContact O-OG 2.97Å; G742-S760 PolarHBondContact N-O 2.81Å; T743-S760 PolarHBondContact O-N 3.09Å; S760-E767 CarbonylContact C-O 3.56Å; S760-E767 WeakPolarHBondContact CA-O 3.25Å
761Y87.7Confident86.8Confident32 Ų3260.8 Ų60.813%0.12529%0.293CS..EExtended strand (participates in β ladder)trans-138.7150.4177.680.3-68.6000110.7N763 Y766 E767 K769 L810Y761-N763 HydrophobicContact CD2-CB 4.35Å; Y761-N763 HydrophobicContact CE2-CB 3.71Å; Y761-N763 PolarHBondContact OH-ND2 3.29Å; Y761-Y766 CarbonylContact O-C 3.53Å; Y761-Y766 WeakPolarHBondContact O-CA 3.26Å; Y761-E767 VanDerWaalsContact CD1-O 3.24Å; Y761-E767 WeakPolarHBondContact CD1-O 3.29Å; Y761-E767 HydrophobicContact CE1-CB 3.9Å; Y761-E767 PolarHBondContact N-O 3.04Å; Y761-E767 PolarHBondContact O-N 2.84Å; Y761-K769 HydrophobicContact CD1-CB 3.83Å; Y761-K769 HydrophobicContact CE1-CB 3.89Å; Y761-L810 HydrophobicContact CD1-CD2 4.05Å; Y761-L810 HydrophobicContact CD2-CD2 3.84Å; Y761-L810 HydrophobicContact CG-CD2 3.53Å
762F79.1Confident87.4Confident103 Ų10360 Ų6045%0.45227%0.27SS..  trans-87.9117.9-177.1-174.6-98.6000111.5M741 Y766M741-F762 HydrophobicContact SD-CB 4.03Å; F762-Y766 HydrophobicContact CB-CE1 4.4Å; F762-Y766 HydrophobicContact CD2-CD1 4.32Å; F762-Y766 AromaticContact CD2-CD2 3.89Å; F762-Y766 HydrophobicContact CD2-CD2 3.89Å; F762-Y766 HydrophobicContact CD2-CE1 4.14Å; F762-Y766 AromaticContact CD2-CE2 3.68Å; F762-Y766 HydrophobicContact CD2-CE2 3.68Å; F762-Y766 HydrophobicContact CD2-CG 4.21Å; F762-Y766 AromaticContact CD2-CZ 3.84Å; F762-Y766 HydrophobicContact CE2-CD2 4.29Å; F762-Y766 HydrophobicContact CE2-CE2 4Å
763N70.5Confident87.9Confident54 Ų5452.3 Ų52.329%0.28924%0.242SC..SBendtrans-137.245.5173.370.6-19.1000111.6Y761 E767Y761-N763 HydrophobicContact CD2-CB 4.35Å; Y761-N763 HydrophobicContact CE2-CB 3.71Å; Y761-N763 PolarHBondContact OH-ND2 3.29Å; N763-E767 VanDerWaalsContact ND2-CD 3.31Å; N763-E767 PolarHBondContact ND2-OE2 3.01Å; N763-E767 WeakPolarHBondContact OD1-CB 3.38Å; N763-E767 VanDerWaalsContact OD1-CG 3.22Å; N763-E767 WeakPolarHBondContact OD1-CG 3.42Å
764E73.4Confident88.3Confident169 Ų16950.6 Ų50.679%0.7922%0.223SC*.SBendtrans90.1-37.6-167.8-53.7175.6-177.800114.8
765R73.6Confident88.1Confident207 Ų20754.1 Ų54.178%0.78124%0.241SC*.SBendtrans-142.665.9-178.3-64.2-175.4-179.2-176.41113.2E767R765-E767 VanDerWaalsContact C-N 3.32Å; R765-E767 WeakPolarHBondContact O-CG 3.41Å; R765-E767 PolarHBondContact O-N 3.35Å
766Y77.9Confident87.4Confident66 Ų6654.2 Ų54.226%0.25925%0.248SC..  trans1968.8173-71.8-84.2000114.4E631 G738 L739 M741 Y761 F762E631-Y766 HydrophobicContact CG-CE2 4.49Å; G738-Y766 PolarHBondContact N-O 3.41Å; L739-Y766 VanDerWaalsContact O-CD1 3.31Å; L739-Y766 WeakPolarHBondContact O-CD1 3.47Å; M741-Y766 HydrophobicContact CB-CD1 4.49Å; M741-Y766 HydrophobicContact CB-CE1 3.97Å; Y761-Y766 CarbonylContact O-C 3.53Å; Y761-Y766 WeakPolarHBondContact O-CA 3.26Å; F762-Y766 HydrophobicContact CB-CE1 4.4Å; F762-Y766 HydrophobicContact CD2-CD1 4.32Å; F762-Y766 AromaticContact CD2-CD2 3.89Å; F762-Y766 HydrophobicContact CD2-CD2 3.89Å; F762-Y766 HydrophobicContact CD2-CE1 4.14Å; F762-Y766 AromaticContact CD2-CE2 3.68Å; F762-Y766 HydrophobicContact CD2-CE2 3.68Å; F762-Y766 HydrophobicContact CD2-CG 4.21Å; F762-Y766 AromaticContact CD2-CZ 3.84Å; F762-Y766 HydrophobicContact CE2-CD2 4.29Å; F762-Y766 HydrophobicContact CE2-CE2 4Å
767E87.3Confident86.6Confident79 Ų7961.7 Ų61.737%0.36929%0.288SS..EExtended strand (participates in β ladder)trans-88.1171.8-177.8-73.7-165.8163.300111S760 Y761 N763 R765S760-E767 CarbonylContact C-O 3.56Å; S760-E767 WeakPolarHBondContact CA-O 3.25Å; Y761-E767 VanDerWaalsContact CD1-O 3.24Å; Y761-E767 WeakPolarHBondContact CD1-O 3.29Å; Y761-E767 HydrophobicContact CE1-CB 3.9Å; Y761-E767 PolarHBondContact N-O 3.04Å; Y761-E767 PolarHBondContact O-N 2.84Å; N763-E767 VanDerWaalsContact ND2-CD 3.31Å; N763-E767 PolarHBondContact ND2-OE2 3.01Å; N763-E767 WeakPolarHBondContact OD1-CB 3.38Å; N763-E767 VanDerWaalsContact OD1-CG 3.22Å; N763-E767 WeakPolarHBondContact OD1-CG 3.42Å; R765-E767 VanDerWaalsContact C-N 3.32Å; R765-E767 WeakPolarHBondContact O-CG 3.41Å; R765-E767 PolarHBondContact O-N 3.35Å
768V91.5Very high85.7Confident19 Ų1968.2 Ų68.212%0.11532%0.323CS..EExtended strand (participates in β ladder)trans-109.9129.5-178.4-1760000109.9E733 I736 K737 I759E733-V768 HydrophobicContact CG-CB 4.15Å; E733-V768 HydrophobicContact CG-CG1 4.3Å; I736-V768 HydrophobicContact CD1-CG1 3.79Å; I736-V768 HydrophobicContact CD1-CG2 4.41Å; I736-V768 HydrophobicContact CG1-CB 4.46Å; I736-V768 HydrophobicContact CG1-CG1 3.92Å; I736-V768 HydrophobicContact CG1-CG2 3.67Å; K737-V768 HydrophobicContact CB-CG2 3.74Å; K737-V768 HydrophobicContact CG-CG2 4.44Å; I759-V768 CarbonylContact O-C 3.57Å; I759-V768 WeakPolarHBondContact O-CA 3.42Å
769K93.2Very high85.1Confident85 Ų8574.8 Ų74.837%0.3735%0.347SS..EExtended strand (participates in β ladder)trans-102.9140.7168.8-164.972.1172.8-171.60109S758 I759 Y761 L771 L810S758-K769 CarbonylContact C-O 3.52Å; S758-K769 WeakPolarHBondContact CA-O 3.26Å; I759-K769 HydrophobicContact CG2-CB 3.94Å; I759-K769 PolarHBondContact N-O 2.82Å; I759-K769 PolarHBondContact O-N 3.27Å; Y761-K769 HydrophobicContact CD1-CB 3.83Å; Y761-K769 HydrophobicContact CE1-CB 3.89Å; K769-L771 HydrophobicContact CG-CD2 4.04Å; K769-L810 HydrophobicContact CB-CD1 4.29Å; K769-L810 HydrophobicContact CB-CD2 3.86Å; K769-L810 HydrophobicContact CG-CD1 3.97Å; K769-L810 HydrophobicContact CG-CD2 4.12Å; K769-L810 HydrophobicContact CG-CG 4.27Å
770H93.9Very high84.8Confident32 Ų3275.6 Ų75.615%0.14835%0.351CS..EExtended strand (participates in β ladder)trans-113.2122.2173.8-56-81.5000110R729 E733 I757 S758R729-H770 WeakPolarHBondContact CG-NE2 3.26Å; R729-H770 VanDerWaalsContact CZ-CD2 3.44Å; R729-H770 PolarHBondContact NE-CD2 3.11Å; E733-H770 WeakPolarHBondContact CG-NE2 3.39Å; E733-H770 IonicContact OE1-CD2 2.89Å; E733-H770 IonicContact OE1-NE2 3Å; E733-H770 PolarHBondContact OE1-NE2 3.48Å; I757-H770 CarbonylContact O-C 3.51Å; I757-H770 WeakPolarHBondContact O-CA 3.26Å; S758-H770 VanDerWaalsContact CB-ND1 3.34Å; S758-H770 WeakPolarHBondContact CB-ND1 3.5Å; S758-H770 PolarHBondContact OG-CE1 2.76Å; S758-H770 PolarHBondContact OG-ND1 3.01Å
771L94.1Very high84.9Confident4 Ų477.8 Ų77.82%0.02136%0.36CS..EExtended strand (participates in β ladder)trans-102.4126.3177.9-49.4180000108A756 I757 K769 L782 L803 F807 L810A756-L771 CarbonylContact C-O 3.6Å; A756-L771 VanDerWaalsContact CA-O 3.25Å; A756-L771 WeakPolarHBondContact CA-O 3.4Å; I757-L771 HydrophobicContact CB-CB 4.25Å; I757-L771 PolarHBondContact N-O 3.48Å; I757-L771 PolarHBondContact O-N 3.24Å; K769-L771 HydrophobicContact CG-CD2 4.04Å; L771-L782 HydrophobicContact CB-CD2 4.18Å; L771-L782 HydrophobicContact CD1-CD1 4.02Å; L771-L803 HydrophobicContact CD1-CD1 4.18Å; L771-L803 HydrophobicContact CD1-CD2 3.79Å; L771-F807 HydrophobicContact CD1-CD2 4.19Å; L771-F807 HydrophobicContact CD1-CE2 3.98Å; L771-F807 HydrophobicContact CD2-CD1 3.98Å; L771-F807 HydrophobicContact CD2-CD2 4Å; L771-F807 HydrophobicContact CD2-CE1 3.88Å; L771-F807 HydrophobicContact CD2-CE2 3.9Å; L771-F807 HydrophobicContact CD2-CG 4.04Å; L771-F807 HydrophobicContact CD2-CZ 3.85Å; L771-F807 HydrophobicContact CG-CE2 4.41Å; L771-L810 HydrophobicContact CD1-CD1 3.95Å; L771-L810 HydrophobicContact CD2-CD1 3.74Å; L771-L810 HydrophobicContact CG-CD1 4.28Å
772K92.8Very high85.1Confident86 Ų8677.1 Ų77.137%0.37436%0.358SS..EExtended strand (participates in β ladder)trans-78.6126.8175178.2171.8-178.2-1410107.7E774 L782K772-E774 WeakPolarHBondContact CD-OE1 3.34Å; K772-E774 WeakPolarHBondContact CE-OE1 3.49Å; K772-E774 WeakPolarHBondContact CE-OE2 3.26Å; K772-E774 HydrophobicContact CG-CG 4.36Å; K772-E774 IonicContact NZ-OE1 3.63Å; K772-E774 PolarHBondContact NZ-OE1 3.33Å; K772-E774 IonicContact NZ-OE2 2.62Å; K772-E774 PolarHBondContact NZ-OE2 3.07Å; K772-L782 WeakPolarHBondContact O-CD2 3.26Å
773V93.4Very high85.3Confident5 Ų574.1 Ų74.13%0.0335%0.347CS..  trans-88.5112.9168-174.30000106.7Y755 I757 F780 L782 L791 L794Y755-V773 PolarHBondContact O-N 2.86Å; Y755-V773 VanDerWaalsContact O-N 3.14Å; I757-V773 HydrophobicContact CD1-CG2 4.32Å; I757-V773 HydrophobicContact CG1-CG2 3.87Å; V773-F780 HydrophobicContact CG1-CB 4.04Å; V773-F780 HydrophobicContact CG1-CD1 3.83Å; V773-F780 HydrophobicContact CG1-CG 4.41Å; V773-L782 HydrophobicContact CB-CD2 4.38Å; V773-L782 HydrophobicContact CG2-CD2 3.82Å; V773-L791 HydrophobicContact CG1-CD1 4Å; V773-L791 HydrophobicContact CG2-CD1 4.13Å; V773-L794 HydrophobicContact CG1-CD1 3.86Å
774E91Very high85.9Confident64 Ų6475.5 Ų75.530%0.29936%0.357SS..EExtended strand (participates in β ladder)trans-86.7155.9175.2-61.4-74.9-173.600109.8K772 F780 Y781K772-E774 WeakPolarHBondContact CD-OE1 3.34Å; K772-E774 WeakPolarHBondContact CE-OE1 3.49Å; K772-E774 WeakPolarHBondContact CE-OE2 3.26Å; K772-E774 HydrophobicContact CG-CG 4.36Å; K772-E774 IonicContact NZ-OE1 3.63Å; K772-E774 PolarHBondContact NZ-OE1 3.33Å; K772-E774 IonicContact NZ-OE2 2.62Å; K772-E774 PolarHBondContact NZ-OE2 3.07Å; E774-F780 WeakPolarHBondContact O-CA 3.43Å; E774-Y781 HydrophobicContact CB-CD1 3.98Å; E774-Y781 HydrophobicContact CB-CD2 3.88Å; E774-Y781 HydrophobicContact CB-CE1 3.54Å; E774-Y781 HydrophobicContact CB-CE2 3.43Å; E774-Y781 VanDerWaalsContact CB-CE2 3.43Å; E774-Y781 HydrophobicContact CB-CG 4.13Å; E774-Y781 HydrophobicContact CG-CD2 4.38Å; E774-Y781 HydrophobicContact CG-CE2 3.78Å; E774-Y781 PolarHBondContact N-O 3.24Å; E774-Y781 PolarHBondContact O-N 3.31Å
775M85.3Confident86.2Confident108 Ų10873.6 Ų73.653%0.53235%0.353SS..EExtended strand (participates in β ladder)trans-126.8123.2174.5-169.7177.470.900109L709 R779 F780L709-M775 HydrophobicContact CD2-CE 4.47Å; M775-R779 CarbonylContact C-O 3.46Å; M775-R779 VanDerWaalsContact CA-O 3.28Å; M775-R779 WeakPolarHBondContact CA-O 3.49Å; M775-F780 HydrophobicContact SD-CE1 4.35Å; M775-F780 HydrophobicContact SD-CZ 4.39Å
776G78.6Confident86.8Confident23 Ų2366.5 Ų66.524%0.23733%0.33CS..EExtended strand (participates in β ladder)trans-142.1137.3176.800000109.4N778 R779G776-N778 VanDerWaalsContact C-N 3.26Å; G776-N778 PolarHBondContact O-N 3.13Å; G776-R779 PolarHBondContact N-O 2.93Å; G776-R779 WeakPolarHBondContact O-CA 3.44Å; G776-R779 PolarHBondContact O-N 3.23Å
777D78.2Confident87.3Confident160 Ų16068.4 Ų68.486%0.85634%0.337SS*.THydrogen-bonded Turntrans4942.7-178.1-58.8-25.2000114.3R779D777-R779 PolarHBondContact O-N 3.02Å
778N76.1Confident87.3Confident136 Ų13665.5 Ų65.573%0.72732%0.324SS*.THydrogen-bonded Turntrans57.123.7-174.5-69-14.3000114.8G776G776-N778 VanDerWaalsContact C-N 3.26Å; G776-N778 PolarHBondContact O-N 3.13Å
779R84.2Confident86.8Confident138 Ų13867.7 Ų67.752%0.52134%0.344SS..EExtended strand (participates in β ladder)trans-121.3152.4175.1-64.3-176.9-178.6-170.8-1.4111.1M775 G776 D777 Y787 F788M775-R779 CarbonylContact C-O 3.46Å; M775-R779 VanDerWaalsContact CA-O 3.28Å; M775-R779 WeakPolarHBondContact CA-O 3.49Å; G776-R779 PolarHBondContact N-O 2.93Å; G776-R779 WeakPolarHBondContact O-CA 3.44Å; G776-R779 PolarHBondContact O-N 3.23Å; D777-R779 PolarHBondContact O-N 3.02Å; R779-Y787 HydrophobicContact CB-CD1 4.39Å; R779-F788 CarbonylContact C-O 3.52Å; R779-F788 VanDerWaalsContact CA-O 3.28Å; R779-F788 WeakPolarHBondContact CA-O 3.45Å; R779-F788 VanDerWaalsContact CB-O 3.31Å; R779-F788 WeakPolarHBondContact CB-O 3.09Å
780F90.1Very high86.5Confident18 Ų1865.5 Ų65.58%0.07934%0.339CS..EExtended strand (participates in β ladder)trans-98.6142.7179.1-61.3-90.9000110.4V712 Y755 V773 E774 M775 F788 L794V712-F780 HydrophobicContact CG2-CZ 4.06Å; Y755-F780 HydrophobicContact CD2-CE1 4.14Å; Y755-F780 HydrophobicContact CE2-CE1 4.38Å; V773-F780 HydrophobicContact CG1-CB 4.04Å; V773-F780 HydrophobicContact CG1-CD1 3.83Å; V773-F780 HydrophobicContact CG1-CG 4.41Å; E774-F780 WeakPolarHBondContact O-CA 3.43Å; M775-F780 HydrophobicContact SD-CE1 4.35Å; M775-F780 HydrophobicContact SD-CZ 4.39Å; F780-F788 PolarHBondContact N-O 3.35Å; F780-F788 WeakPolarHBondContact O-CD2 3.49Å; F780-F788 PolarHBondContact O-N 2.87Å; F780-L794 HydrophobicContact CB-CD1 3.8Å
781Y91.8Very high86.3Confident46 Ų4664 Ų6418%0.1833%0.332CS..EExtended strand (participates in β ladder)trans-150.9155.5174.863.9-84.9000112.2E774 D783 T784 L786 Y787E774-Y781 HydrophobicContact CB-CD1 3.98Å; E774-Y781 HydrophobicContact CB-CD2 3.88Å; E774-Y781 HydrophobicContact CB-CE1 3.54Å; E774-Y781 HydrophobicContact CB-CE2 3.43Å; E774-Y781 VanDerWaalsContact CB-CE2 3.43Å; E774-Y781 HydrophobicContact CB-CG 4.13Å; E774-Y781 HydrophobicContact CG-CD2 4.38Å; E774-Y781 HydrophobicContact CG-CE2 3.78Å; E774-Y781 PolarHBondContact N-O 3.24Å; E774-Y781 PolarHBondContact O-N 3.31Å; Y781-D783 WeakPolarHBondContact CD2-O 3.37Å; Y781-T784 HydrophobicContact CE2-CG2 4.08Å; Y781-L786 WeakPolarHBondContact CB-O 3.46Å; Y781-Y787 AromaticContact CD1-CD1 3.7Å; Y781-Y787 HydrophobicContact CD1-CD1 3.7Å; Y781-Y787 AromaticContact CD1-CE1 3.61Å; Y781-Y787 HydrophobicContact CD1-CE1 3.61Å; Y781-Y787 HydrophobicContact CE1-CD1 4.38Å; Y781-Y787 AromaticContact CE1-CE1 3.92Å; Y781-Y787 HydrophobicContact CE1-CE1 3.92Å; Y781-Y787 HydrophobicContact CG-CD1 4.1Å; Y781-Y787 HydrophobicContact CG-CE1 4.01Å
782L91.2Very high86.1Confident17 Ų1765 Ų659%0.08934%0.338CS..EExtended strand (participates in β ladder)trans-103-22.5167.3-62.7-174.2000112.1I757 L771 K772 V773 L794 Y798 L803 F807I757-L782 HydrophobicContact CD1-CD1 4.21Å; I757-L782 HydrophobicContact CD1-CD2 4.3Å; L771-L782 HydrophobicContact CB-CD2 4.18Å; L771-L782 HydrophobicContact CD1-CD1 4.02Å; K772-L782 WeakPolarHBondContact O-CD2 3.26Å; V773-L782 HydrophobicContact CB-CD2 4.38Å; V773-L782 HydrophobicContact CG2-CD2 3.82Å; L782-L794 HydrophobicContact CD1-CD2 4.21Å; L782-L794 HydrophobicContact CD2-CD1 4.42Å; L782-L794 HydrophobicContact CD2-CD2 4.29Å; L782-L794 HydrophobicContact CG-CD1 4.2Å; L782-L794 HydrophobicContact CG-CD2 4.03Å; L782-L794 HydrophobicContact CG-CG 4.43Å; L782-Y798 HydrophobicContact CB-CE2 4.15Å; L782-Y798 HydrophobicContact CD1-CD2 3.66Å; L782-Y798 HydrophobicContact CD1-CE2 3.49Å; L782-Y798 VanDerWaalsContact CD1-CE2 3.49Å; L782-Y798 HydrophobicContact CD1-CG 4.33Å; L782-Y798 HydrophobicContact CG-CD2 4.36Å; L782-Y798 HydrophobicContact CG-CE2 3.84Å; L782-L803 HydrophobicContact CD1-CD2 3.96Å; L782-F807 HydrophobicContact CB-CE2 3.9Å; L782-F807 HydrophobicContact CB-CZ 4.01Å; L782-F807 HydrophobicContact CD1-CE2 4.1Å
783D83.3Confident85.8Confident40 Ų4064.7 Ų64.721%0.21434%0.338CS..EExtended strand (participates in β ladder)trans-143.8143.3-174.8-169.9-10.1000107.8Y781 D785 L786 S806Y781-D783 WeakPolarHBondContact CD2-O 3.37Å; D783-D785 PolarHBondContact O-N 3.46Å; D783-L786 PolarHBondContact O-N 2.99Å; D783-S806 WeakPolarHBondContact CB-OG 3.44Å; D783-S806 WeakPolarHBondContact OD2-CA 3.29Å; D783-S806 WeakPolarHBondContact OD2-CB 3.27Å; D783-S806 PolarHBondContact OD2-OG 3.07Å
784T82.7Confident85.8Confident84 Ų8464.4 Ų64.452%0.51534%0.336SS..THydrogen-bonded Turntrans-66.3-8.3-174.147.50000113.8Y781 Y787Y781-T784 HydrophobicContact CE2-CG2 4.08Å; T784-Y787 WeakPolarHBondContact O-CE2 3.36Å; T784-Y787 VanDerWaalsContact O-CZ 3.3Å; T784-Y787 PolarHBondContact O-OH 3.39Å
785D81.2Confident85.9Confident129 Ų12961.4 Ų61.469%0.6932%0.322SS*.THydrogen-bonded Turntrans-90-16.5179.9-64.8-17.6000113.4D783D783-D785 PolarHBondContact O-N 3.46Å
786L84.3Confident86.1Confident57 Ų5759.5 Ų59.530%0.29831%0.314SS..EExtended strand (participates in β ladder)trans-135.4117.4-177.7-107.4102.4000113.3Y781 D783 F788 H797Y781-L786 WeakPolarHBondContact CB-O 3.46Å; D783-L786 PolarHBondContact O-N 2.99Å; L786-F788 HydrophobicContact CB-CE2 4.14Å; L786-F788 HydrophobicContact CB-CZ 4.19Å; L786-F788 HydrophobicContact CD2-CE1 3.95Å; L786-F788 HydrophobicContact CD2-CE2 4.18Å; L786-F788 HydrophobicContact CD2-CZ 3.38Å; L786-F788 HydrophobicContact CG-CZ 4.38Å; L786-H797 VanDerWaalsContact CD2-CE1 3.47Å; L786-H797 WeakPolarHBondContact CD2-CE1 3.32Å; L786-H797 VanDerWaalsContact CD2-NE2 3.35Å; L786-H797 WeakPolarHBondContact CD2-NE2 3.49Å
787Y88.6Confident86.6Confident106 Ų10660.3 Ų60.342%0.41631%0.312SS..EExtended strand (participates in β ladder)trans-114.5139.6179.7-58.6-96.2000111.4R779 Y781 T784R779-Y787 HydrophobicContact CB-CD1 4.39Å; Y781-Y787 AromaticContact CD1-CD1 3.7Å; Y781-Y787 HydrophobicContact CD1-CD1 3.7Å; Y781-Y787 AromaticContact CD1-CE1 3.61Å; Y781-Y787 HydrophobicContact CD1-CE1 3.61Å; Y781-Y787 HydrophobicContact CE1-CD1 4.38Å; Y781-Y787 AromaticContact CE1-CE1 3.92Å; Y781-Y787 HydrophobicContact CE1-CE1 3.92Å; Y781-Y787 HydrophobicContact CG-CD1 4.1Å; Y781-Y787 HydrophobicContact CG-CE1 4.01Å; T784-Y787 WeakPolarHBondContact O-CE2 3.36Å; T784-Y787 VanDerWaalsContact O-CZ 3.3Å; T784-Y787 PolarHBondContact O-OH 3.39Å
788F88.2Confident87.3Confident19 Ų1952.8 Ų52.88%0.08327%0.271CS..EExtended strand (participates in β ladder)trans-123.6144.8-178.1-55.8-83.7000111.1R779 F780 L786 S790 E793 L794 H797 Y798R779-F788 CarbonylContact C-O 3.52Å; R779-F788 VanDerWaalsContact CA-O 3.28Å; R779-F788 WeakPolarHBondContact CA-O 3.45Å; R779-F788 VanDerWaalsContact CB-O 3.31Å; R779-F788 WeakPolarHBondContact CB-O 3.09Å; F780-F788 PolarHBondContact N-O 3.35Å; F780-F788 WeakPolarHBondContact O-CD2 3.49Å; F780-F788 PolarHBondContact O-N 2.87Å; L786-F788 HydrophobicContact CB-CE2 4.14Å; L786-F788 HydrophobicContact CB-CZ 4.19Å; L786-F788 HydrophobicContact CD2-CE1 3.95Å; L786-F788 HydrophobicContact CD2-CE2 4.18Å; L786-F788 HydrophobicContact CD2-CZ 3.38Å; L786-F788 HydrophobicContact CG-CZ 4.38Å; F788-S790 VanDerWaalsContact C-N 3.26Å; F788-S790 PolarHBondContact O-N 3.36Å; F788-E793 HydrophobicContact CB-CB 4.05Å; F788-E793 HydrophobicContact CD1-CB 4.24Å; F788-L794 HydrophobicContact CB-CB 3.91Å; F788-L794 HydrophobicContact CD2-CB 3.52Å; F788-L794 HydrophobicContact CD2-CD1 3.84Å; F788-L794 HydrophobicContact CD2-CG 3.61Å; F788-L794 HydrophobicContact CE2-CB 4.13Å; F788-L794 HydrophobicContact CE2-CD1 4.33Å; F788-L794 HydrophobicContact CE2-CG 3.88Å; F788-L794 VanDerWaalsContact CG-CA 3.5Å; F788-L794 HydrophobicContact CG-CB 3.71Å; F788-L794 HydrophobicContact CG-CG 4.33Å; F788-H797 HydrophobicContact CD1-CB 4.24Å; F788-H797 HydrophobicContact CE1-CB 3.3Å; F788-H797 AromaticContact CE1-CG 3.44Å; F788-H797 VanDerWaalsContact CE1-CG 3.44Å; F788-H797 AromaticContact CE1-ND1 3.91Å; F788-H797 HydrophobicContact CZ-CB 3.59Å; F788-H797 AromaticContact CZ-CD2 3.53Å; F788-H797 AromaticContact CZ-CG 3.45Å; F788-H797 VanDerWaalsContact CZ-CG 3.45Å; F788-Y798 AromaticContact CE2-CE2 3.94Å; F788-Y798 HydrophobicContact CE2-CE2 3.94Å; F788-Y798 HydrophobicContact CZ-CE2 4.18Å
789A80.9Confident88Confident65 Ų6549 Ų4954%0.53725%0.25SC..SBendtrans-72.7-22.7-178.300000112.3E793A789-E793 VanDerWaalsContact CB-OE2 3.3Å; A789-E793 WeakPolarHBondContact CB-OE2 3.13Å; A789-E793 PolarHBondContact N-OE2 3.21Å
790S86.1Confident87.9Confident38 Ų3846.4 Ų46.427%0.26625%0.246SC..SBendtrans-141.8161.7176.672.30000112.6F788 V792 E793 L794F788-S790 VanDerWaalsContact C-N 3.26Å; F788-S790 PolarHBondContact O-N 3.36Å; S790-V792 PolarHBondContact O-N 3.38Å; S790-V792 PolarHBondContact OG-N 3.49Å; S790-E793 PolarHBondContact O-N 2.9Å; S790-E793 WeakPolarHBondContact OG-CG 3.4Å; S790-E793 PolarHBondContact OG-N 3.41Å; S790-E793 VanDerWaalsContact OG-N 3.14Å; S790-L794 PolarHBondContact O-N 2.75Å; S790-L794 VanDerWaalsContact O-N 3.16Å
791L90.2Very high87.7Confident2 Ų249.3 Ų49.31%0.0126%0.26CS..Hα-helixtrans-60.7-32.2172.1-17463.1000112.1L717 V746 Y755 V773 L794 V795L717-L791 HydrophobicContact CD1-CD2 4.06Å; V746-L791 HydrophobicContact CG1-CD1 4.31Å; V746-L791 HydrophobicContact CG1-CD2 3.84Å; V746-L791 HydrophobicContact CG1-CG 4.33Å; Y755-L791 HydrophobicContact CD1-CD2 3.56Å; Y755-L791 HydrophobicContact CD2-CD2 4.01Å; Y755-L791 HydrophobicContact CE1-CD2 3.76Å; Y755-L791 HydrophobicContact CE2-CD2 4.19Å; Y755-L791 HydrophobicContact CG-CD1 4.44Å; Y755-L791 HydrophobicContact CG-CD2 3.69Å; V773-L791 HydrophobicContact CG1-CD1 4Å; V773-L791 HydrophobicContact CG2-CD1 4.13Å; L791-L794 PolarHBondContact O-N 2.6Å; L791-V795 WeakPolarHBondContact O-CG2 3.47Å; L791-V795 PolarHBondContact O-N 3.24Å
792V90.4Very high87.5Confident24 Ų2449.5 Ų49.515%0.14526%0.263CS..Hα-helixtrans-66.6-46.1177.81780000110.6L717 Y720 W722 S790 L794 V795 N796L717-V792 HydrophobicContact CD2-CG2 3.96Å; Y720-V792 HydrophobicContact CE1-CG1 3.98Å; Y720-V792 HydrophobicContact CE1-CG2 4.48Å; Y720-V792 HydrophobicContact CE2-CG2 3.91Å; W722-V792 HydrophobicContact CH2-CG2 4.07Å; W722-V792 HydrophobicContact CZ2-CG2 4.12Å; S790-V792 PolarHBondContact O-N 3.38Å; S790-V792 PolarHBondContact OG-N 3.49Å; V792-L794 VanDerWaalsContact C-N 3.32Å; V792-L794 PolarHBondContact O-N 3.15Å; V792-V795 PolarHBondContact O-N 3.49Å; V792-N796 WeakPolarHBondContact O-CB 3.33Å; V792-N796 PolarHBondContact O-N 3.22Å; V792-N796 PolarHBondContact O-OD1 3.23Å
793E86.8Confident87.4Confident79 Ų7948.7 Ų48.737%0.36926%0.259SS..Hα-helixtrans-61.6-40.7176.3-75.4175.5-172.400112.3F788 A789 S790 N796 H797F788-E793 HydrophobicContact CB-CB 4.05Å; F788-E793 HydrophobicContact CD1-CB 4.24Å; A789-E793 VanDerWaalsContact CB-OE2 3.3Å; A789-E793 WeakPolarHBondContact CB-OE2 3.13Å; A789-E793 PolarHBondContact N-OE2 3.21Å; S790-E793 PolarHBondContact O-N 2.9Å; S790-E793 WeakPolarHBondContact OG-CG 3.4Å; S790-E793 PolarHBondContact OG-N 3.41Å; S790-E793 VanDerWaalsContact OG-N 3.14Å; E793-N796 PolarHBondContact O-N 2.62Å; E793-H797 WeakPolarHBondContact O-CB 3.43Å; E793-H797 PolarHBondContact O-N 2.88Å
794L92.7Very high87.6Confident0 Ų052.4 Ų52.40%027%0.27CS..Hα-helixtrans-59.8-47.8174.9-177.4157.2000111.1I757 V773 F780 L782 F788 S790 L791 V792 H797 Y798I757-L794 HydrophobicContact CD1-CD2 3.66Å; V773-L794 HydrophobicContact CG1-CD1 3.86Å; F780-L794 HydrophobicContact CB-CD1 3.8Å; L782-L794 HydrophobicContact CD1-CD2 4.21Å; L782-L794 HydrophobicContact CD2-CD1 4.42Å; L782-L794 HydrophobicContact CD2-CD2 4.29Å; L782-L794 HydrophobicContact CG-CD1 4.2Å; L782-L794 HydrophobicContact CG-CD2 4.03Å; L782-L794 HydrophobicContact CG-CG 4.43Å; F788-L794 HydrophobicContact CB-CB 3.91Å; F788-L794 HydrophobicContact CD2-CB 3.52Å; F788-L794 HydrophobicContact CD2-CD1 3.84Å; F788-L794 HydrophobicContact CD2-CG 3.61Å; F788-L794 HydrophobicContact CE2-CB 4.13Å; F788-L794 HydrophobicContact CE2-CD1 4.33Å; F788-L794 HydrophobicContact CE2-CG 3.88Å; F788-L794 VanDerWaalsContact CG-CA 3.5Å; F788-L794 HydrophobicContact CG-CB 3.71Å; F788-L794 HydrophobicContact CG-CG 4.33Å; S790-L794 PolarHBondContact O-N 2.75Å; S790-L794 VanDerWaalsContact O-N 3.16Å; L791-L794 PolarHBondContact O-N 2.6Å; V792-L794 VanDerWaalsContact C-N 3.32Å; V792-L794 PolarHBondContact O-N 3.15Å; L794-H797 PolarHBondContact O-N 3.36Å; L794-Y798 HydrophobicContact CD2-CD2 4.07Å; L794-Y798 HydrophobicContact CD2-CE2 4.45Å; L794-Y798 HydrophobicContact CG-CD2 4.27Å; L794-Y798 HydrophobicContact CG-CE2 4.33Å; L794-Y798 VanDerWaalsContact O-CD2 3.31Å; L794-Y798 WeakPolarHBondContact O-CD2 3.49Å; L794-Y798 PolarHBondContact O-N 3.03Å
795V93.1Very high87.4Confident0 Ų054.8 Ų54.80%028%0.275CS..Hα-helixtrans-62.2-53.6178.41720000110W722 F744 V746 L791 V792 H797 Y798 E799 L814W722-V795 HydrophobicContact CD2-CG1 4.09Å; W722-V795 HydrophobicContact CD2-CG2 4.42Å; W722-V795 HydrophobicContact CE3-CG2 4.35Å; W722-V795 HydrophobicContact CG-CG1 4.17Å; W722-V795 HydrophobicContact CH2-CG2 4.25Å; W722-V795 HydrophobicContact CZ2-CB 4.27Å; W722-V795 HydrophobicContact CZ2-CG1 4.31Å; W722-V795 HydrophobicContact CZ2-CG2 4.32Å; W722-V795 HydrophobicContact CZ3-CG2 4.27Å; F744-V795 HydrophobicContact CE2-CG1 3.77Å; F744-V795 HydrophobicContact CZ-CG1 3.99Å; V746-V795 HydrophobicContact CG2-CG2 3.76Å; L791-V795 WeakPolarHBondContact O-CG2 3.47Å; L791-V795 PolarHBondContact O-N 3.24Å; V792-V795 PolarHBondContact O-N 3.49Å; V795-H797 PolarHBondContact O-N 2.91Å; V795-Y798 CarbonylContact O-C 3.45Å; V795-Y798 PolarHBondContact O-N 3.43Å; V795-E799 HydrophobicContact CG1-CG 4.07Å; V795-E799 WeakPolarHBondContact O-CG 3.43Å; V795-E799 PolarHBondContact O-N 3.39Å; V795-L814 HydrophobicContact CB-CD1 4.47Å; V795-L814 HydrophobicContact CG1-CD1 4.1Å
796N88.6Confident87.3Confident68 Ų6850 Ų5036%0.36425%0.252SS..Hα-helixtrans-53.7-42.2-179.9-68.2-6.9000111.8V792 E793 Y798 E799 D800V792-N796 WeakPolarHBondContact O-CB 3.33Å; V792-N796 PolarHBondContact O-N 3.22Å; V792-N796 PolarHBondContact O-OD1 3.23Å; E793-N796 PolarHBondContact O-N 2.62Å; N796-Y798 PolarHBondContact O-N 3.44Å; N796-E799 PolarHBondContact O-N 3.4Å; N796-D800 PolarHBondContact O-N 3.24Å
797H89.3Confident87.4Confident40 Ų4049.8 Ų49.819%0.18525%0.249CC..Hα-helixtrans-59.1-49.7176.4178.685.3000112.1L786 F788 E793 L794 V795 E799 D800 H801L786-H797 VanDerWaalsContact CD2-CE1 3.47Å; L786-H797 WeakPolarHBondContact CD2-CE1 3.32Å; L786-H797 VanDerWaalsContact CD2-NE2 3.35Å; L786-H797 WeakPolarHBondContact CD2-NE2 3.49Å; F788-H797 HydrophobicContact CD1-CB 4.24Å; F788-H797 HydrophobicContact CE1-CB 3.3Å; F788-H797 AromaticContact CE1-CG 3.44Å; F788-H797 VanDerWaalsContact CE1-CG 3.44Å; F788-H797 AromaticContact CE1-ND1 3.91Å; F788-H797 HydrophobicContact CZ-CB 3.59Å; F788-H797 AromaticContact CZ-CD2 3.53Å; F788-H797 AromaticContact CZ-CG 3.45Å; F788-H797 VanDerWaalsContact CZ-CG 3.45Å; E793-H797 WeakPolarHBondContact O-CB 3.43Å; E793-H797 PolarHBondContact O-N 2.88Å; L794-H797 PolarHBondContact O-N 3.36Å; V795-H797 PolarHBondContact O-N 2.91Å; H797-E799 VanDerWaalsContact C-N 3.32Å; H797-E799 PolarHBondContact O-N 3.14Å; H797-D800 PolarHBondContact O-N 3.32Å; H797-H801 AromaticContact CE1-CD2 3.87Å; H797-H801 AromaticContact CE1-CE1 3.85Å; H797-H801 AromaticContact CE1-CG 3.49Å; H797-H801 VanDerWaalsContact CE1-CG 3.49Å; H797-H801 AromaticContact CE1-ND1 3.48Å; H797-H801 PolarHBondContact CE1-ND1 2.92Å; H797-H801 AromaticContact CG-ND1 3.94Å; H797-H801 AromaticContact ND1-CE1 3.83Å; H797-H801 AromaticContact ND1-CG 3.98Å; H797-H801 AromaticContact ND1-ND1 3.49Å; H797-H801 PolarHBondContact ND1-ND1 3.22Å; H797-H801 AromaticContact NE2-CG 3.65Å; H797-H801 AromaticContact NE2-ND1 3.91Å; H797-H801 WeakPolarHBondContact O-CB 3.37Å; H797-H801 PolarHBondContact O-N 3.21Å; H797-H801 PolarHBondContact O-ND1 3.08Å
798Y93Very high86.9Confident2 Ų255.7 Ų55.71%0.00827%0.271CS..Hα-helixtrans-80.5-6.6-178.9-72.5-68.1000114.3L782 F788 L794 V795 N796 D800 L803 S806 T813 L814L782-Y798 HydrophobicContact CB-CE2 4.15Å; L782-Y798 HydrophobicContact CD1-CD2 3.66Å; L782-Y798 HydrophobicContact CD1-CE2 3.49Å; L782-Y798 VanDerWaalsContact CD1-CE2 3.49Å; L782-Y798 HydrophobicContact CD1-CG 4.33Å; L782-Y798 HydrophobicContact CG-CD2 4.36Å; L782-Y798 HydrophobicContact CG-CE2 3.84Å; F788-Y798 AromaticContact CE2-CE2 3.94Å; F788-Y798 HydrophobicContact CE2-CE2 3.94Å; F788-Y798 HydrophobicContact CZ-CE2 4.18Å; L794-Y798 HydrophobicContact CD2-CD2 4.07Å; L794-Y798 HydrophobicContact CD2-CE2 4.45Å; L794-Y798 HydrophobicContact CG-CD2 4.27Å; L794-Y798 HydrophobicContact CG-CE2 4.33Å; L794-Y798 VanDerWaalsContact O-CD2 3.31Å; L794-Y798 WeakPolarHBondContact O-CD2 3.49Å; L794-Y798 PolarHBondContact O-N 3.03Å; V795-Y798 CarbonylContact O-C 3.45Å; V795-Y798 PolarHBondContact O-N 3.43Å; N796-Y798 PolarHBondContact O-N 3.44Å; Y798-D800 VanDerWaalsContact C-N 3.33Å; Y798-L803 HydrophobicContact CD1-CD2 3.38Å; Y798-L803 HydrophobicContact CD1-CG 3.95Å; Y798-L803 HydrophobicContact CD2-CD2 4.44Å; Y798-L803 HydrophobicContact CE1-CD2 3.79Å; Y798-L803 HydrophobicContact CG-CD2 3.74Å; Y798-L803 HydrophobicContact CG-CG 4.44Å; Y798-S806 PolarHBondContact OH-OG 3.42Å; Y798-T813 CarbonylContact O-C 3.5Å; Y798-T813 WeakPolarHBondContact O-CA 3.34Å; Y798-T813 VanDerWaalsContact O-CB 3.25Å; Y798-T813 WeakPolarHBondContact O-CB 3.48Å; Y798-L814 PolarHBondContact O-N 3.47Å
799E90.6Very high86.3Confident58 Ų5858.1 Ų58.127%0.27129%0.294SS..Hα-helixtrans-69-35.1163.3-67.6-165.8147.500110.7F744 V795 N796 H797 T813 L814F744-E799 HydrophobicContact CZ-CG 4.25Å; F744-E799 WeakPolarHBondContact CZ-OE1 3.34Å; V795-E799 HydrophobicContact CG1-CG 4.07Å; V795-E799 WeakPolarHBondContact O-CG 3.43Å; V795-E799 PolarHBondContact O-N 3.39Å; N796-E799 PolarHBondContact O-N 3.4Å; H797-E799 VanDerWaalsContact C-N 3.32Å; H797-E799 PolarHBondContact O-N 3.14Å; E799-T813 WeakPolarHBondContact O-CB 3.48Å; E799-T813 PolarHBondContact O-OG1 2.89Å; E799-L814 HydrophobicContact CG-CB 3.89Å; E799-L814 WeakPolarHBondContact CG-O 3.46Å
800D82.9Confident86.4Confident82 Ų8255 Ų5544%0.43927%0.269SS..Hα-helixtrans-97.5-30.2-179-70.7-44.6000114.2R301 N796 H797 Y798R301-D800 IonicContact CZ-OD1 2.62Å; R301-D800 IonicContact CZ-OD2 3.32Å; R301-D800 IonicContact NH1-OD1 2.63Å; R301-D800 PolarHBondContact NH1-OD1 2.86Å; R301-D800 IonicContact NH1-OD2 3.96Å; R301-D800 PolarHBondContact NH1-OD2 3.36Å; R301-D800 IonicContact NH2-OD1 3.91Å; R301-D800 PolarHBondContact NH2-OD1 2.86Å; R301-D800 IonicContact NH2-OD2 3.54Å; N796-D800 PolarHBondContact O-N 3.24Å; H797-D800 PolarHBondContact O-N 3.32Å; Y798-D800 VanDerWaalsContact C-N 3.33Å
801H85.2Confident86.4Confident80 Ų8056.7 Ų56.737%0.3727%0.274SS..SBendtrans-109.7131.7-174.3-59.878000111.3H797 L803H797-H801 AromaticContact CE1-CD2 3.87Å; H797-H801 AromaticContact CE1-CE1 3.85Å; H797-H801 AromaticContact CE1-CG 3.49Å; H797-H801 VanDerWaalsContact CE1-CG 3.49Å; H797-H801 AromaticContact CE1-ND1 3.48Å; H797-H801 PolarHBondContact CE1-ND1 2.92Å; H797-H801 AromaticContact CG-ND1 3.94Å; H797-H801 AromaticContact ND1-CE1 3.83Å; H797-H801 AromaticContact ND1-CG 3.98Å; H797-H801 AromaticContact ND1-ND1 3.49Å; H797-H801 PolarHBondContact ND1-ND1 3.22Å; H797-H801 AromaticContact NE2-CG 3.65Å; H797-H801 AromaticContact NE2-ND1 3.91Å; H797-H801 WeakPolarHBondContact O-CB 3.37Å; H797-H801 PolarHBondContact O-N 3.21Å; H797-H801 PolarHBondContact O-ND1 3.08Å; H801-L803 PolarHBondContact O-N 3.44Å
802N87.7Confident86.1Confident49 Ų4956.7 Ų56.726%0.26228%0.275SS..  trans-65.4128.4-173-168-45.1000111.5R804 Q805 L810 D811 T812 T813N802-R804 PolarHBondContact O-N 2.87Å; N802-R804 WeakPolarHBondContact OD1-CB 3.46Å; N802-R804 PolarHBondContact OD1-N 3.4Å; N802-Q805 PolarHBondContact O-N 3.35Å; N802-L810 PolarHBondContact OD1-O 2.98Å; N802-D811 PolarHBondContact ND2-OD1 3.26Å; N802-T812 PolarHBondContact OD1-N 3.14Å; N802-T813 HydrophobicContact CB-CG2 4.5Å
803L90.2Very high86.2Confident0 Ų056.7 Ų56.70%028%0.275CS..G310 helixtrans-62.4-14.9179.1-75.2159.3000113.2I759 L771 L782 Y798 H801 Q805 S806 F807 L810 T812 L814I759-L803 HydrophobicContact CD1-CD1 3.57Å; L771-L803 HydrophobicContact CD1-CD1 4.18Å; L771-L803 HydrophobicContact CD1-CD2 3.79Å; L782-L803 HydrophobicContact CD1-CD2 3.96Å; Y798-L803 HydrophobicContact CD1-CD2 3.38Å; Y798-L803 HydrophobicContact CD1-CG 3.95Å; Y798-L803 HydrophobicContact CD2-CD2 4.44Å; Y798-L803 HydrophobicContact CE1-CD2 3.79Å; Y798-L803 HydrophobicContact CG-CD2 3.74Å; Y798-L803 HydrophobicContact CG-CG 4.44Å; H801-L803 PolarHBondContact O-N 3.44Å; L803-Q805 PolarHBondContact O-N 3.03Å; L803-Q805 VanDerWaalsContact O-N 3.14Å; L803-S806 PolarHBondContact O-N 3.21Å; L803-S806 VanDerWaalsContact O-N 3.12Å; L803-F807 HydrophobicContact CB-CD2 4.48Å; L803-F807 HydrophobicContact CD2-CD2 4.1Å; L803-F807 HydrophobicContact CD2-CE2 4.33Å; L803-F807 WeakPolarHBondContact O-CA 3.3Å; L803-F807 PolarHBondContact O-N 3.49Å; L803-L810 CarbonylContact C-O 3.5Å; L803-L810 HydrophobicContact CB-CB 3.88Å; L803-L810 HydrophobicContact CB-CD1 4.35Å; L803-L810 HydrophobicContact CD1-CD1 4.26Å; L803-T812 WeakPolarHBondContact CB-O 3.46Å; L803-T812 PolarHBondContact N-O 2.9Å; L803-L814 HydrophobicContact CD1-CD2 3.91Å; L803-L814 HydrophobicContact CD1-CG 4.36Å
804R87.1Confident86.5Confident118 Ų11853 Ų5345%0.44526%0.258SS..G310 helixtrans-54.8-30.1175.8177.4179.4-91.4152.6-2.8112.5N802 S806 F807 L810 D811N802-R804 PolarHBondContact O-N 2.87Å; N802-R804 WeakPolarHBondContact OD1-CB 3.46Å; N802-R804 PolarHBondContact OD1-N 3.4Å; R804-S806 VanDerWaalsContact C-N 3.27Å; R804-S806 PolarHBondContact O-N 3.24Å; R804-F807 WeakPolarHBondContact CA-O 3.06Å; R804-F807 CarbonylContact O-C 3.55Å; R804-L810 WeakPolarHBondContact CA-O 3.4Å; R804-L810 PolarHBondContact N-O 2.86Å; R804-D811 IonicContact CZ-OD1 2.74Å; R804-D811 IonicContact CZ-OD2 3.55Å; R804-D811 IonicContact NE-OD1 3.44Å; R804-D811 IonicContact NH1-OD1 3.97Å; R804-D811 PolarHBondContact NH1-OD1 3.46Å; R804-D811 IonicContact NH1-OD2 3.84Å; R804-D811 PolarHBondContact NH1-OD2 2.94Å; R804-D811 VanDerWaalsContact NH2-CB 3.26Å; R804-D811 IonicContact NH2-OD1 3.61Å; R804-D811 IonicContact NH2-OD2 2.97Å; R804-D811 PolarHBondContact NH2-OD2 3.04Å
805Q77.8Confident86.2Confident134 Ų13457.5 Ų57.563%0.62628%0.277SS*.G310 helixtrans-56.5-44.1178.8-65.9-178.81.600111N802 L803N802-Q805 PolarHBondContact O-N 3.35Å; L803-Q805 PolarHBondContact O-N 3.03Å; L803-Q805 VanDerWaalsContact O-N 3.14Å
806S80.5Confident86Confident29 Ų2959.9 Ų59.920%0.20329%0.289CS..THydrogen-bonded Turntrans-97.6-26.5177.7-59.50000113.9D783 Y798 L803 R804D783-S806 WeakPolarHBondContact CB-OG 3.44Å; D783-S806 WeakPolarHBondContact OD2-CA 3.29Å; D783-S806 WeakPolarHBondContact OD2-CB 3.27Å; D783-S806 PolarHBondContact OD2-OG 3.07Å; Y798-S806 PolarHBondContact OH-OG 3.42Å; L803-S806 PolarHBondContact O-N 3.21Å; L803-S806 VanDerWaalsContact O-N 3.12Å; R804-S806 VanDerWaalsContact C-N 3.27Å; R804-S806 PolarHBondContact O-N 3.24Å
807F84.9Confident86.1Confident53 Ų5356.7 Ų56.723%0.23227%0.273CS..  trans-135.288.4-173.6-55.2-76.2000110.8L771 L782 L803 R804 A809 L810L771-F807 HydrophobicContact CD1-CD2 4.19Å; L771-F807 HydrophobicContact CD1-CE2 3.98Å; L771-F807 HydrophobicContact CD2-CD1 3.98Å; L771-F807 HydrophobicContact CD2-CD2 4Å; L771-F807 HydrophobicContact CD2-CE1 3.88Å; L771-F807 HydrophobicContact CD2-CE2 3.9Å; L771-F807 HydrophobicContact CD2-CG 4.04Å; L771-F807 HydrophobicContact CD2-CZ 3.85Å; L771-F807 HydrophobicContact CG-CE2 4.41Å; L782-F807 HydrophobicContact CB-CE2 3.9Å; L782-F807 HydrophobicContact CB-CZ 4.01Å; L782-F807 HydrophobicContact CD1-CE2 4.1Å; L803-F807 HydrophobicContact CB-CD2 4.48Å; L803-F807 HydrophobicContact CD2-CD2 4.1Å; L803-F807 HydrophobicContact CD2-CE2 4.33Å; L803-F807 WeakPolarHBondContact O-CA 3.3Å; L803-F807 PolarHBondContact O-N 3.49Å; R804-F807 WeakPolarHBondContact CA-O 3.06Å; R804-F807 CarbonylContact O-C 3.55Å; F807-A809 PolarHBondContact O-N 3.39Å; F807-L810 HydrophobicContact CB-CB 4.12Å; F807-L810 HydrophobicContact CB-CD1 3.99Å; F807-L810 HydrophobicContact CB-CG 4.16Å; F807-L810 HydrophobicContact CD2-CD1 4.43Å; F807-L810 HydrophobicContact CG-CD1 4.3Å; F807-L810 PolarHBondContact O-N 3.22Å
808R78.1Confident86.2Confident229 Ų22955 Ų5586%0.86427%0.265SS*.THydrogen-bonded Turntrans-47-30.6-173.7-66.4-175.1-178.9-176.60.5116.5
809A76.4Confident85.8Confident70 Ų7059.8 Ų59.858%0.57929%0.286SS*.THydrogen-bonded Turntrans-81.1-13.7179.500000114.5F807F807-A809 PolarHBondContact O-N 3.39Å
810L83.5Confident85.4Confident1 Ų159.3 Ų59.31%0.00529%0.292CS..  trans-101.280.6179.4-68.8-177.3000110.5I759 Y761 K769 L771 N802 L803 R804 F807 T812I759-L810 HydrophobicContact CG2-CD1 4.06Å; I759-L810 HydrophobicContact CG2-CD2 4.24Å; Y761-L810 HydrophobicContact CD1-CD2 4.05Å; Y761-L810 HydrophobicContact CD2-CD2 3.84Å; Y761-L810 HydrophobicContact CG-CD2 3.53Å; K769-L810 HydrophobicContact CB-CD1 4.29Å; K769-L810 HydrophobicContact CB-CD2 3.86Å; K769-L810 HydrophobicContact CG-CD1 3.97Å; K769-L810 HydrophobicContact CG-CD2 4.12Å; K769-L810 HydrophobicContact CG-CG 4.27Å; L771-L810 HydrophobicContact CD1-CD1 3.95Å; L771-L810 HydrophobicContact CD2-CD1 3.74Å; L771-L810 HydrophobicContact CG-CD1 4.28Å; N802-L810 PolarHBondContact OD1-O 2.98Å; L803-L810 CarbonylContact C-O 3.5Å; L803-L810 HydrophobicContact CB-CB 3.88Å; L803-L810 HydrophobicContact CB-CD1 4.35Å; L803-L810 HydrophobicContact CD1-CD1 4.26Å; R804-L810 WeakPolarHBondContact CA-O 3.4Å; R804-L810 PolarHBondContact N-O 2.86Å; F807-L810 HydrophobicContact CB-CB 4.12Å; F807-L810 HydrophobicContact CB-CD1 3.99Å; F807-L810 HydrophobicContact CB-CG 4.16Å; F807-L810 HydrophobicContact CD2-CD1 4.43Å; F807-L810 HydrophobicContact CG-CD1 4.3Å; F807-L810 PolarHBondContact O-N 3.22Å; L810-T812 PolarHBondContact O-N 2.86Å
811D85.3Confident85.2Confident72 Ų7256.8 Ų56.839%0.38528%0.278SS..  trans-82.260.6172.4-167.216.7000112N802 R804N802-D811 PolarHBondContact ND2-OD1 3.26Å; R804-D811 IonicContact CZ-OD1 2.74Å; R804-D811 IonicContact CZ-OD2 3.55Å; R804-D811 IonicContact NE-OD1 3.44Å; R804-D811 IonicContact NH1-OD1 3.97Å; R804-D811 PolarHBondContact NH1-OD1 3.46Å; R804-D811 IonicContact NH1-OD2 3.84Å; R804-D811 PolarHBondContact NH1-OD2 2.94Å; R804-D811 VanDerWaalsContact NH2-CB 3.26Å; R804-D811 IonicContact NH2-OD1 3.61Å; R804-D811 IonicContact NH2-OD2 2.97Å; R804-D811 PolarHBondContact NH2-OD2 3.04Å
812T85.2Confident85.1Confident2 Ų253.8 Ų53.81%0.01227%0.265CS..SBendtrans-156.7160.8178.7-170.30000109.8M741 I759 N802 L803 L810 K815M741-T812 HydrophobicContact CG-CG2 4.4Å; I759-T812 HydrophobicContact CD1-CG2 3.59Å; N802-T812 PolarHBondContact OD1-N 3.14Å; L803-T812 WeakPolarHBondContact CB-O 3.46Å; L803-T812 PolarHBondContact N-O 2.9Å; L810-T812 PolarHBondContact O-N 2.86Å; T812-K815 VanDerWaalsContact OG1-CE 3.28Å; T812-K815 WeakPolarHBondContact OG1-CE 3.36Å
813T90.7Very high84.9Confident25 Ų2555.3 Ų55.315%0.15328%0.276CS..  trans-94175164.359.70000109.7Y798 E799 N802 K815Y798-T813 CarbonylContact O-C 3.5Å; Y798-T813 WeakPolarHBondContact O-CA 3.34Å; Y798-T813 VanDerWaalsContact O-CB 3.25Å; Y798-T813 WeakPolarHBondContact O-CB 3.48Å; E799-T813 WeakPolarHBondContact O-CB 3.48Å; E799-T813 PolarHBondContact O-OG1 2.89Å; N802-T813 HydrophobicContact CB-CG2 4.5Å; T813-K815 PolarHBondContact O-N 3.38Å; T813-K815 WeakPolarHBondContact OG1-CG 3.39Å
814L93.3Very high84.6Confident1 Ų156.1 Ų56.11%0.00528%0.284CS..SBendtrans-70.574.7165.5-60.3-177.9000109.3F744 I757 I759 V795 Y798 E799 L803F744-L814 HydrophobicContact CB-CD2 3.83Å; F744-L814 HydrophobicContact CD1-CB 3.66Å; F744-L814 HydrophobicContact CD1-CD2 4.33Å; F744-L814 HydrophobicContact CD2-CB 4.01Å; F744-L814 HydrophobicContact CD2-CD1 4.09Å; F744-L814 HydrophobicContact CD2-CD2 3.79Å; F744-L814 HydrophobicContact CD2-CG 4.18Å; F744-L814 VanDerWaalsContact CE1-C 3.45Å; F744-L814 HydrophobicContact CE1-CB 3.59Å; F744-L814 VanDerWaalsContact CE1-O 3.22Å; F744-L814 WeakPolarHBondContact CE1-O 3.41Å; F744-L814 HydrophobicContact CE2-CB 3.92Å; F744-L814 HydrophobicContact CE2-CD1 3.97Å; F744-L814 HydrophobicContact CE2-CD2 4.43Å; F744-L814 HydrophobicContact CE2-CG 4.33Å; F744-L814 HydrophobicContact CG-CB 3.87Å; F744-L814 HydrophobicContact CG-CD2 3.72Å; F744-L814 HydrophobicContact CG-CG 4.28Å; F744-L814 HydrophobicContact CZ-CB 3.72Å; F744-L814 HydrophobicContact CZ-CD1 4.48Å; I757-L814 HydrophobicContact CD1-CD1 4.07Å; I757-L814 HydrophobicContact CG2-CD2 3.74Å; I759-L814 HydrophobicContact CD1-CD2 3.88Å; V795-L814 HydrophobicContact CB-CD1 4.47Å; V795-L814 HydrophobicContact CG1-CD1 4.1Å; Y798-L814 PolarHBondContact O-N 3.47Å; E799-L814 HydrophobicContact CG-CB 3.89Å; E799-L814 WeakPolarHBondContact CG-O 3.46Å; L803-L814 HydrophobicContact CD1-CD2 3.91Å; L803-L814 HydrophobicContact CD1-CG 4.36Å
815K87.3Confident84.8Confident94 Ų9451.9 Ų51.941%0.40927%0.269SS..  trans-75.5-44-166.9-69.6179.2179.2176.40114.4G742 T812 T813G742-K815 PolarHBondContact O-N 3.44Å; T812-K815 VanDerWaalsContact OG1-CE 3.28Å; T812-K815 WeakPolarHBondContact OG1-CE 3.36Å; T813-K815 PolarHBondContact O-N 3.38Å; T813-K815 WeakPolarHBondContact OG1-CG 3.39Å
816I88.1Confident85.4Confident50 Ų5045.5 Ų45.526%0.25624%0.239SC..EExtended strand (participates in β ladder)trans-131.3106.8-168.1-43.7170.9000110P740 G742 T743 F744 V818 A820 I821P740-I816 HydrophobicContact CB-CD1 4.1Å; G742-I816 PolarHBondContact O-N 3.18Å; T743-I816 CarbonylContact C-O 3.59Å; T743-I816 WeakPolarHBondContact CA-O 3.35Å; F744-I816 WeakPolarHBondContact CD1-O 3.33Å; F744-I816 PolarHBondContact N-O 3.37Å; I816-V818 PolarHBondContact O-N 3.4Å; I816-A820 HydrophobicContact CG2-CB 4.37Å; I816-I821 HydrophobicContact CB-CD1 3.92Å; I816-I821 HydrophobicContact CD1-CD1 4Å; I816-I821 HydrophobicContact CG2-CD1 3.38Å; I816-I821 HydrophobicContact CG2-CG1 3.55Å
817P91.9Very high86Confident2 Ų245.8 Ų45.81%0.01324%0.238CC..EExtended strand (participates in β ladder)trans-63.6138.4175.925.9-33.7000110.2P721 W722 F744 K819 A820P721-P817 HydrophobicContact CB-CB 3.85Å; P721-P817 HydrophobicContact CB-CG 3.95Å; P721-P817 HydrophobicContact CG-CB 3.85Å; P721-P817 HydrophobicContact CG-CG 3.74Å; W722-P817 HydrophobicContact CB-CB 3.72Å; W722-P817 HydrophobicContact CG-CB 4.45Å; F744-P817 HydrophobicContact CE1-CB 4.14Å; F744-P817 HydrophobicContact CZ-CB 4.24Å; P817-K819 VanDerWaalsContact C-N 3.31Å; P817-K819 PolarHBondContact O-N 3Å; P817-A820 HydrophobicContact CG-CB 3.91Å; P817-A820 VanDerWaalsContact O-CB 3.3Å; P817-A820 WeakPolarHBondContact O-CB 3.49Å; P817-A820 PolarHBondContact O-N 2.67Å
818V90Very high86.4Confident4 Ų443.3 Ų43.32%0.02423%0.227CC..G310 helixtrans-55.5-39.2-170.766.40000114.3V724 I736 F744 L745 I816 A820 I821 I822V724-V818 HydrophobicContact CG1-CG1 3.47Å; V724-V818 VanDerWaalsContact CG1-CG1 3.47Å; I736-V818 HydrophobicContact CG2-CB 4.38Å; I736-V818 HydrophobicContact CG2-CG2 3.74Å; F744-V818 WeakPolarHBondContact O-CB 3.38Å; F744-V818 PolarHBondContact O-N 2.88Å; L745-V818 HydrophobicContact CB-CB 3.94Å; L745-V818 HydrophobicContact CB-CG1 3.55Å; L745-V818 HydrophobicContact CD2-CG1 4.46Å; L745-V818 HydrophobicContact CD2-CG2 4.44Å; I816-V818 PolarHBondContact O-N 3.4Å; V818-A820 PolarHBondContact O-N 3.17Å; V818-I821 PolarHBondContact O-N 2.87Å; V818-I821 VanDerWaalsContact O-N 3.08Å; V818-I822 HydrophobicContact CG2-CD1 3.49Å; V818-I822 VanDerWaalsContact CG2-CD1 3.49Å; V818-I822 HydrophobicContact CG2-CG1 4.05Å; V818-I822 PolarHBondContact O-N 3.46Å
819K86Confident87.2Confident102 Ų10235.5 Ų35.544%0.44320%0.202SC..G310 helixtrans-71.6-9179-61.4174.1173.7169.70113.2S718 P721 Y723 P817S718-K819 PolarHBondContact O-NZ 3.38Å; P721-K819 HydrophobicContact CB-CB 4.11Å; P721-K819 WeakPolarHBondContact O-CB 3.45Å; P721-K819 WeakPolarHBondContact O-CG 3.39Å; P721-K819 PolarHBondContact O-N 3.34Å; Y723-K819 WeakPolarHBondContact O-CE 3.26Å; Y723-K819 PolarHBondContact O-NZ 3.04Å; P817-K819 VanDerWaalsContact C-N 3.31Å; P817-K819 PolarHBondContact O-N 3Å
820A80.9Confident87.9Confident49 Ų4937 Ų3741%0.40520%0.197SC..G310 helixtrans-83.5-15.5170.800000113.1I816 P817 V818I816-A820 HydrophobicContact CG2-CB 4.37Å; P817-A820 HydrophobicContact CG-CB 3.91Å; P817-A820 VanDerWaalsContact O-CB 3.3Å; P817-A820 WeakPolarHBondContact O-CB 3.49Å; P817-A820 PolarHBondContact O-N 2.67Å; V818-A820 PolarHBondContact O-N 3.17Å
821I80.1Confident88.5Confident28 Ų2841.8 Ų41.814%0.14422%0.223CC..THydrogen-bonded Turntrans-105.6-44.2177.5-75.7171.7000111.2L739 T743 I816 V818 T823 L851L739-I821 HydrophobicContact CD1-CG2 4.05Å; L739-I821 HydrophobicContact CD2-CG2 4.04Å; T743-I821 HydrophobicContact CG2-CD1 3.78Å; T743-I821 WeakPolarHBondContact OG1-CD1 3.22Å; I816-I821 HydrophobicContact CB-CD1 3.92Å; I816-I821 HydrophobicContact CD1-CD1 4Å; I816-I821 HydrophobicContact CG2-CD1 3.38Å; I816-I821 HydrophobicContact CG2-CG1 3.55Å; V818-I821 PolarHBondContact O-N 2.87Å; V818-I821 VanDerWaalsContact O-N 3.08Å; I821-T823 PolarHBondContact O-N 2.95Å; I821-L851 HydrophobicContact CG2-CD2 3.51Å
822I83.2Confident88.9Confident18 Ų1839.6 Ų39.69%0.09221%0.209CC..  trans-85.9112-176.3-57.6-177.7000108.6L735 L739 V818 F825 I849 L851L735-I822 HydrophobicContact CD2-CD1 3.98Å; L739-I822 HydrophobicContact CD1-CD1 4.44Å; L739-I822 HydrophobicContact CD1-CG1 4.45Å; V818-I822 HydrophobicContact CG2-CD1 3.49Å; V818-I822 VanDerWaalsContact CG2-CD1 3.49Å; V818-I822 HydrophobicContact CG2-CG1 4.05Å; V818-I822 PolarHBondContact O-N 3.46Å; I822-F825 HydrophobicContact CG2-CE1 3.85Å; I822-F825 HydrophobicContact CG2-CE2 4.2Å; I822-F825 HydrophobicContact CG2-CZ 3.63Å; I822-I849 HydrophobicContact CB-CG2 4.17Å; I822-I849 HydrophobicContact CD1-CG2 3.65Å; I822-I849 HydrophobicContact CG1-CG2 3.65Å; I822-I849 HydrophobicContact CG2-CG2 3.6Å; I822-L851 HydrophobicContact CG1-CD2 4.31Å
823T82Confident89.3Confident81 Ų8147.2 Ų47.250%0.49725%0.245SC..  trans-90.8-13.3-179.153.50000113.3I821 I850I821-T823 PolarHBondContact O-N 2.95Å; T823-I850 PolarHBondContact N-O 3.03Å; T823-I850 WeakPolarHBondContact OG1-CG2 3.17Å; T823-I850 PolarHBondContact OG1-O 2.73Å
824G85.4Confident89.2Confident16 Ų1647.6 Ų47.617%0.16525%0.251CS..EExtended strand (participates in β ladder)trans168.7-173.317600000112.4I850G824-I850 PolarHBondContact N-O 3.41Å; G824-I850 WeakPolarHBondContact O-CB 3.41Å; G824-I850 PolarHBondContact O-N 3.31Å
825F89.3Confident88.9Confident30 Ų3053.5 Ų53.513%0.13229%0.287CS..EExtended strand (participates in β ladder)trans-128.7149.7178.4-57.8-80.1000109.8L735 I822 L847 I849 E879 K880 F883L735-F825 HydrophobicContact CD2-CE1 3.6Å; L735-F825 HydrophobicContact CD2-CZ 3.94Å; I822-F825 HydrophobicContact CG2-CE1 3.85Å; I822-F825 HydrophobicContact CG2-CE2 4.2Å; I822-F825 HydrophobicContact CG2-CZ 3.63Å; F825-L847 HydrophobicContact CB-CD1 4.39Å; F825-I849 HydrophobicContact CD1-CG1 4.2Å; F825-I849 HydrophobicContact CE1-CG1 4.13Å; F825-I849 HydrophobicContact CE1-CG2 4.36Å; F825-E879 CarbonylContact O-C 3.57Å; F825-E879 WeakPolarHBondContact O-CA 3.37Å; F825-K880 PolarHBondContact O-N 2.89Å; F825-F883 HydrophobicContact CD1-CB 4.34Å; F825-F883 AromaticContact CD1-CD2 3.52Å; F825-F883 HydrophobicContact CD1-CD2 3.52Å; F825-F883 HydrophobicContact CD1-CE2 4.3Å; F825-F883 HydrophobicContact CD1-CG 4.36Å; F825-F883 HydrophobicContact CD2-CB 3.97Å; F825-F883 HydrophobicContact CE1-CB 3.95Å; F825-F883 AromaticContact CE1-CD2 3.22Å; F825-F883 HydrophobicContact CE1-CD2 3.22Å; F825-F883 AromaticContact CE1-CE2 3.94Å; F825-F883 HydrophobicContact CE1-CE2 3.94Å; F825-F883 AromaticContact CE1-CG 3.87Å; F825-F883 HydrophobicContact CE1-CG 3.87Å; F825-F883 HydrophobicContact CE2-CB 3.58Å; F825-F883 HydrophobicContact CE2-CD2 4.43Å; F825-F883 HydrophobicContact CE2-CG 4.39Å; F825-F883 HydrophobicContact CG-CB 4.34Å; F825-F883 HydrophobicContact CG-CD2 4.23Å; F825-F883 HydrophobicContact CZ-CB 3.56Å; F825-F883 AromaticContact CZ-CD2 3.74Å; F825-F883 HydrophobicContact CZ-CD2 3.74Å; F825-F883 AromaticContact CZ-CG 3.89Å; F825-F883 HydrophobicContact CZ-CG 3.89Å
826A91.6Very high88.6Confident0 Ų050.6 Ų50.60%028%0.28CS..EExtended strand (participates in β ladder)trans-142.2160.3172.100000111.2V848 I850 V877 I878A826-V848 HydrophobicContact CB-CB 4.47Å; A826-V848 PolarHBondContact N-O 3.47Å; A826-V848 PolarHBondContact O-N 3.25Å; A826-I850 HydrophobicContact CB-CD1 4.03Å; A826-I850 HydrophobicContact CB-CG1 4.24Å; A826-V877 HydrophobicContact CB-CB 3.69Å; A826-V877 HydrophobicContact CB-CG1 4.49Å; A826-V877 HydrophobicContact CB-CG2 3.6Å; A826-I878 CarbonylContact C-O 3.5Å; A826-I878 WeakPolarHBondContact CA-O 3.27Å; A826-I878 WeakPolarHBondContact CB-O 3.45Å
827I92.5Very high88.1Confident35 Ų3552.7 Ų52.718%0.17930%0.297CS..EExtended strand (participates in β ladder)trans-109.2132.3170.2-64.7-167.8000108.8L829 L847 V877 I878 K880I827-L829 PolarHBondContact O-N 2.69Å; I827-L847 HydrophobicContact CG1-CD1 4.49Å; I827-V877 CarbonylContact O-C 3.55Å; I827-V877 VanDerWaalsContact O-CA 3.22Å; I827-V877 WeakPolarHBondContact O-CA 3.38Å; I827-I878 HydrophobicContact CB-CG2 4.26Å; I827-I878 PolarHBondContact N-O 3.26Å; I827-I878 PolarHBondContact O-N 3.24Å; I827-K880 HydrophobicContact CD1-CD 3.62Å; I827-K880 HydrophobicContact CD1-CG 4.37Å; I827-K880 HydrophobicContact CG1-CD 3.84Å; I827-K880 HydrophobicContact CG1-CG 4.2Å
828A94.1Very high87.7Confident0 Ų056.8 Ų56.80%032%0.319CS..EExtended strand (participates in β ladder)trans-61119172.800000111.6F842 R843 N845 D846 V848 Y876A828-F842 HydrophobicContact CB-CD2 3.31Å; A828-F842 HydrophobicContact CB-CE2 3.62Å; A828-F842 HydrophobicContact CB-CG 4.14Å; A828-R843 WeakPolarHBondContact CB-O 3Å; A828-N845 PolarHBondContact O-N 3.19Å; A828-D846 HydrophobicContact CB-CB 4.4Å; A828-D846 PolarHBondContact N-O 3.2Å; A828-V848 HydrophobicContact CB-CG2 4.48Å; A828-Y876 CarbonylContact C-O 3.53Å
829L93.6Very high87.7Confident66 Ų6658.4 Ų58.435%0.34633%0.327SS..SBendtrans-78.3-31172.9-67.2175000111.9I827 R844 Y876 I878I827-L829 PolarHBondContact O-N 2.69Å; L829-R844 WeakPolarHBondContact O-CD 3.33Å; L829-R844 WeakPolarHBondContact O-CG 3.38Å; L829-Y876 PolarHBondContact N-O 3.13Å; L829-I878 HydrophobicContact CD1-CB 4.13Å; L829-I878 HydrophobicContact CD2-CB 3.98Å; L829-I878 HydrophobicContact CD2-CG2 3.7Å; L829-I878 HydrophobicContact CG-CB 4.1Å; L829-I878 HydrophobicContact CG-CG2 4.17Å
830H92.3Very high87.9Confident100 Ų10053.8 Ų53.846%0.46331%0.307SS..SBendtrans-135.9158.8-176.2-57.3-61.7000110.4F842 Y876H830-F842 WeakPolarHBondContact O-CE2 3.49Å; H830-Y876 HydrophobicContact CB-CD1 3.62Å; H830-Y876 HydrophobicContact CB-CE1 3.87Å; H830-Y876 HydrophobicContact CB-CG 4.3Å
831D94.8Very high88.5Confident103 Ų10354.3 Ų54.355%0.55131%0.308SS*.  trans-68.4136.6168.5-65-1.3000108.8F842 R843 R844 Y876D831-F842 WeakPolarHBondContact CA-O 3.32Å; D831-R843 WeakPolarHBondContact OD1-CA 3.42Å; D831-R844 WeakPolarHBondContact OD1-CB 3.38Å; D831-R844 PolarHBondContact OD1-N 3.15Å; D831-Y876 VanDerWaalsContact O-CE1 3.3Å; D831-Y876 WeakPolarHBondContact O-CE1 3.2Å
832F95.2Very high89.1Confident25 Ų2553.3 Ų53.311%0.1130%0.303CS..BIsolated β-bridgetrans-129.3124173.1179.8-112.1000109.2M839 V840 S841 F842 W860 F872 P873 Y876F832-M839 HydrophobicContact CE1-CB 4.33Å; F832-M839 HydrophobicContact CZ-SD 3.97Å; F832-V840 WeakPolarHBondContact CD1-O 3.4Å; F832-V840 WeakPolarHBondContact CE1-O 3.42Å; F832-S841 CarbonylContact O-C 3.36Å; F832-S841 WeakPolarHBondContact O-CA 3.43Å; F832-S841 VanDerWaalsContact O-CB 3.31Å; F832-S841 WeakPolarHBondContact O-CB 3.42Å; F832-F842 HydrophobicContact CB-CD1 4.43Å; F832-F842 HydrophobicContact CB-CD2 3.93Å; F832-F842 HydrophobicContact CB-CE1 4.07Å; F832-F842 HydrophobicContact CB-CE2 3.51Å; F832-F842 HydrophobicContact CB-CG 4.39Å; F832-F842 HydrophobicContact CB-CZ 3.59Å; F832-F842 HydrophobicContact CD1-CE1 4.09Å; F832-F842 HydrophobicContact CD1-CZ 4.29Å; F832-F842 HydrophobicContact CG-CE1 4.45Å; F832-F842 HydrophobicContact CG-CZ 4.22Å; F832-F842 PolarHBondContact N-O 3.21Å; F832-F842 PolarHBondContact O-N 2.97Å; F832-W860 HydrophobicContact CE2-CH2 4.46Å; F832-W860 HydrophobicContact CE2-CZ3 4.47Å; F832-W860 HydrophobicContact CZ-CH2 4.11Å; F832-W860 AromaticContact CZ-CZ3 3.83Å; F832-W860 HydrophobicContact CZ-CZ3 3.83Å; F832-F872 HydrophobicContact CD1-CB 3.94Å; F832-F872 HydrophobicContact CE1-CB 3.98Å; F832-P873 HydrophobicContact CD2-CG 3.93Å; F832-P873 VanDerWaalsContact CE2-CD 3.44Å; F832-P873 HydrophobicContact CE2-CG 3.63Å; F832-P873 HydrophobicContact CZ-CG 4.13Å; F832-Y876 HydrophobicContact CB-CD1 3.82Å; F832-Y876 HydrophobicContact CB-CE1 4.3Å; F832-Y876 HydrophobicContact CD2-CD1 4.26Å; F832-Y876 HydrophobicContact CD2-CE1 4.22Å; F832-Y876 HydrophobicContact CG-CD1 4.42Å
833E93.9Very high89.7Confident162 Ų16261.2 Ų61.276%0.75733%0.331SS*.  trans-104.7127.9177.2-167.3166.9-162.800109.3T835E833-T835 PolarHBondContact O-N 3.07Å
834A87Confident90.2Very high33 Ų3365 Ų6527%0.27334%0.336SS..  trans-71.8119.6-176.200000109.5M839 S841A834-M839 HydrophobicContact CB-CB 3.67Å; A834-M839 WeakPolarHBondContact CB-O 3.44Å; A834-S841 WeakPolarHBondContact CB-OG 3.47Å; A834-S841 PolarHBondContact N-OG 2.89Å
835T87.4Confident90.4Very high126 Ų12669.8 Ų69.877%0.77336%0.358SS*.SBendtrans-92-9.2176.6550000112.9E833 M839E833-T835 PolarHBondContact O-N 3.07Å; T835-M839 PolarHBondContact OG1-SD 3.25Å
836A81.9Confident90.6Very high32 Ų3270.7 Ų70.726%0.26437%0.365SS..SBendtrans-137.4153.7177.900000111.7N838 M839A836-N838 VanDerWaalsContact CB-OD1 3.23Å; A836-N838 WeakPolarHBondContact CB-OD1 3.43Å; A836-N838 PolarHBondContact O-N 3.13Å; A836-M839 HydrophobicContact CB-CE 4.34Å; A836-M839 HydrophobicContact CB-CG 4.21Å; A836-M839 HydrophobicContact CB-SD 4.2Å; A836-M839 WeakPolarHBondContact O-CB 3.22Å; A836-M839 PolarHBondContact O-N 3.33Å
837P76.2Confident90.4Very high94 Ų9474 Ų7461%0.6138%0.382SS*.THydrogen-bonded Turntrans-62.6-25.7-176-25.136.8000114.7E653 M839E653-P837 WeakPolarHBondContact OE1-CG 3.32Å; E653-P837 VanDerWaalsContact OE2-CB 3.22Å; E653-P837 WeakPolarHBondContact OE2-CB 3.21Å; E653-P837 VanDerWaalsContact OE2-CG 3.27Å; E653-P837 WeakPolarHBondContact OE2-CG 3.46Å; P837-M839 VanDerWaalsContact C-N 3.28Å
838N84.4Confident90.4Very high89 Ų8972.4 Ų72.448%0.47637%0.373SS..THydrogen-bonded Turntrans-83.20.5175.768.2-26.4000113.3A836 G870 Y871A836-N838 VanDerWaalsContact CB-OD1 3.23Å; A836-N838 WeakPolarHBondContact CB-OD1 3.43Å; A836-N838 PolarHBondContact O-N 3.13Å; N838-G870 CarbonylContact O-C 3.57Å; N838-G870 WeakPolarHBondContact O-CA 3.5Å; N838-Y871 PolarHBondContact O-N 3.11Å
839M89.9Confident90.1Very high38 Ų3872.8 Ų72.819%0.18738%0.376CS..BIsolated β-bridgetrans-100.1152.8176.8-64.8-179.2-179.700111.5F832 A834 T835 A836 P837 W860 Y871F832-M839 HydrophobicContact CE1-CB 4.33Å; F832-M839 HydrophobicContact CZ-SD 3.97Å; A834-M839 HydrophobicContact CB-CB 3.67Å; A834-M839 WeakPolarHBondContact CB-O 3.44Å; T835-M839 PolarHBondContact OG1-SD 3.25Å; A836-M839 HydrophobicContact CB-CE 4.34Å; A836-M839 HydrophobicContact CB-CG 4.21Å; A836-M839 HydrophobicContact CB-SD 4.2Å; A836-M839 WeakPolarHBondContact O-CB 3.22Å; A836-M839 PolarHBondContact O-N 3.33Å; P837-M839 VanDerWaalsContact C-N 3.28Å; M839-W860 HydrophobicContact CE-CH2 3.53Å; M839-W860 HydrophobicContact CE-CZ2 4.2Å; M839-W860 HydrophobicContact CE-CZ3 3.79Å; M839-W860 HydrophobicContact CG-CZ3 4.5Å; M839-W860 HydrophobicContact SD-CH2 4.09Å; M839-W860 HydrophobicContact SD-CZ3 4.08Å; M839-Y871 VanDerWaalsContact CA-O 3.23Å; M839-Y871 WeakPolarHBondContact CA-O 3.26Å; M839-Y871 WeakPolarHBondContact CB-O 3.43Å
840V89.6Confident89.9Confident4 Ų469.7 Ų69.72%0.02436%0.359CS..  trans-112.7129.1177.463.50000110.2F832 V865 R868 G870 Y871 F872F832-V840 WeakPolarHBondContact CD1-O 3.4Å; F832-V840 WeakPolarHBondContact CE1-O 3.42Å; V840-V865 HydrophobicContact CG1-CG2 4.48Å; V840-V865 HydrophobicContact CG2-CB 3.8Å; V840-V865 HydrophobicContact CG2-CG2 4.02Å; V840-R868 HydrophobicContact CG2-CB 4.22Å; V840-R868 WeakPolarHBondContact CG2-O 3.26Å; V840-G870 WeakPolarHBondContact CG1-O 3.4Å; V840-Y871 PolarHBondContact N-O 3.2Å; V840-Y871 VanDerWaalsContact N-O 3.07Å; V840-F872 HydrophobicContact CG1-CB 4.33Å; V840-F872 HydrophobicContact CG1-CD1 3.89Å
841S93.1Very high89.5Confident60 Ų6065.8 Ų65.842%0.4234%0.342SS..  trans-85.6147.6174.6-45.50000111.3F832 A834F832-S841 CarbonylContact O-C 3.36Å; F832-S841 WeakPolarHBondContact O-CA 3.43Å; F832-S841 VanDerWaalsContact O-CB 3.31Å; F832-S841 WeakPolarHBondContact O-CB 3.42Å; A834-S841 WeakPolarHBondContact CB-OG 3.47Å; A834-S841 PolarHBondContact N-OG 2.89Å
842F94.2Very high89.1Confident8 Ų862.1 Ų62.14%0.03532%0.324CS..BIsolated β-bridgetrans-151.6159.5172.450.4-106.8000111.1A828 H830 D831 F832 D846 V848 V865 F872 V877A828-F842 HydrophobicContact CB-CD2 3.31Å; A828-F842 HydrophobicContact CB-CE2 3.62Å; A828-F842 HydrophobicContact CB-CG 4.14Å; H830-F842 WeakPolarHBondContact O-CE2 3.49Å; D831-F842 WeakPolarHBondContact CA-O 3.32Å; F832-F842 HydrophobicContact CB-CD1 4.43Å; F832-F842 HydrophobicContact CB-CD2 3.93Å; F832-F842 HydrophobicContact CB-CE1 4.07Å; F832-F842 HydrophobicContact CB-CE2 3.51Å; F832-F842 HydrophobicContact CB-CG 4.39Å; F832-F842 HydrophobicContact CB-CZ 3.59Å; F832-F842 HydrophobicContact CD1-CE1 4.09Å; F832-F842 HydrophobicContact CD1-CZ 4.29Å; F832-F842 HydrophobicContact CG-CE1 4.45Å; F832-F842 HydrophobicContact CG-CZ 4.22Å; F832-F842 PolarHBondContact N-O 3.21Å; F832-F842 PolarHBondContact O-N 2.97Å; F842-D846 HydrophobicContact CB-CB 4.03Å; F842-V848 HydrophobicContact CD1-CG2 4.07Å; F842-V848 HydrophobicContact CE1-CG2 4.29Å; F842-V848 HydrophobicContact CG-CG2 4.3Å; F842-V865 HydrophobicContact CB-CG1 4.04Å; F842-V865 HydrophobicContact CB-CG2 4.1Å; F842-V865 HydrophobicContact CD1-CG2 4.08Å; F842-F872 HydrophobicContact CD1-CB 4.48Å; F842-F872 HydrophobicContact CE1-CB 3.44Å; F842-F872 VanDerWaalsContact CE1-CB 3.44Å; F842-F872 HydrophobicContact CE1-CD1 4.33Å; F842-F872 AromaticContact CE1-CD2 3.8Å; F842-F872 HydrophobicContact CE1-CD2 3.8Å; F842-F872 AromaticContact CE1-CG 3.6Å; F842-F872 HydrophobicContact CE1-CG 3.6Å; F842-F872 HydrophobicContact CZ-CB 4.04Å; F842-F872 HydrophobicContact CZ-CD2 4.02Å; F842-F872 HydrophobicContact CZ-CG 4.23Å; F842-V877 HydrophobicContact CE1-CG1 4.37Å; F842-V877 HydrophobicContact CE2-CG1 4.27Å; F842-V877 HydrophobicContact CZ-CG1 3.8Å
843R94.6Very high88.8Confident184 Ų18464 Ų6469%0.69433%0.332SS*.  trans-101156.2172-62.5-169.4179.2-149.5-2.1110.2A828 D831 N845 D846A828-R843 WeakPolarHBondContact CB-O 3Å; D831-R843 WeakPolarHBondContact OD1-CA 3.42Å; R843-N845 PolarHBondContact O-N 3.04Å; R843-D846 PolarHBondContact N-OD2 3Å; R843-D846 WeakPolarHBondContact O-CB 3.5Å; R843-D846 VanDerWaalsContact O-CG 3.27Å; R843-D846 PolarHBondContact O-N 3.25Å
844R92.6Very high88Confident159 Ų15964.9 Ų64.960%0.633%0.333SS*.THydrogen-bonded Turntrans-49134.1170.9177.1175.8175.6173.22.3109.8L829 D831 D846L829-R844 WeakPolarHBondContact O-CD 3.33Å; L829-R844 WeakPolarHBondContact O-CG 3.38Å; D831-R844 WeakPolarHBondContact OD1-CB 3.38Å; D831-R844 PolarHBondContact OD1-N 3.15Å; R844-D846 VanDerWaalsContact C-N 3.29Å
845N91Very high87.5Confident118 Ų11865.3 Ų65.363%0.63133%0.331SS*.THydrogen-bonded Turntrans74.40.6-173.9-48.4-43.4000116.1A828 R843A828-N845 PolarHBondContact O-N 3.19Å; R843-N845 PolarHBondContact O-N 3.04Å
846D92.3Very high87.3Confident49 Ų4961.6 Ų61.626%0.26231%0.311SS..  trans-64.1141.5169-75.4-10.9000110A828 F842 R843 R844 V865A828-D846 HydrophobicContact CB-CB 4.4Å; A828-D846 PolarHBondContact N-O 3.2Å; F842-D846 HydrophobicContact CB-CB 4.03Å; R843-D846 PolarHBondContact N-OD2 3Å; R843-D846 WeakPolarHBondContact O-CB 3.5Å; R843-D846 VanDerWaalsContact O-CG 3.27Å; R843-D846 PolarHBondContact O-N 3.25Å; R844-D846 VanDerWaalsContact C-N 3.29Å; D846-V865 HydrophobicContact CB-CG1 4.35Å
847L88.5Confident87.2Confident70 Ų7069.4 Ų69.437%0.36634%0.342SS..EExtended strand (participates in β ladder)trans-78.9124.9171.2-175.771000109.3F825 I827 F883F825-L847 HydrophobicContact CB-CD1 4.39Å; I827-L847 HydrophobicContact CG1-CD1 4.49Å; L847-F883 HydrophobicContact CD2-CD2 3.84Å; L847-F883 HydrophobicContact CD2-CE2 3.41Å; L847-F883 VanDerWaalsContact CD2-CE2 3.41Å; L847-F883 HydrophobicContact CD2-CZ 4.4Å
848V90.8Very high87.4Confident0 Ų073 Ų730%034%0.343CS..EExtended strand (participates in β ladder)trans-107.6120.6177-172.80000108.8A826 A828 F842 V865 F872 V877A826-V848 HydrophobicContact CB-CB 4.47Å; A826-V848 PolarHBondContact N-O 3.47Å; A826-V848 PolarHBondContact O-N 3.25Å; A828-V848 HydrophobicContact CB-CG2 4.48Å; F842-V848 HydrophobicContact CD1-CG2 4.07Å; F842-V848 HydrophobicContact CE1-CG2 4.29Å; F842-V848 HydrophobicContact CG-CG2 4.3Å; V848-V865 HydrophobicContact CB-CG2 4.19Å; V848-V865 HydrophobicContact CG1-CG2 3.95Å; V848-V865 HydrophobicContact CG2-CG2 3.85Å; V848-F872 HydrophobicContact CG1-CD1 4.21Å; V848-F872 HydrophobicContact CG1-CE1 3.52Å; V848-F872 HydrophobicContact CG1-CE2 4.2Å; V848-F872 HydrophobicContact CG1-CZ 3.51Å; V848-V877 HydrophobicContact CG2-CG1 4.04Å
849I88.1Confident87.6Confident9 Ų970 Ų705%0.04633%0.333CS..EExtended strand (participates in β ladder)trans-83.7117.4173.1-61.8173.4000107.3L735 I822 F825 L851 G863 M864L735-I849 HydrophobicContact CD2-CD1 4.08Å; I822-I849 HydrophobicContact CB-CG2 4.17Å; I822-I849 HydrophobicContact CD1-CG2 3.65Å; I822-I849 HydrophobicContact CG1-CG2 3.65Å; I822-I849 HydrophobicContact CG2-CG2 3.6Å; F825-I849 HydrophobicContact CD1-CG1 4.2Å; F825-I849 HydrophobicContact CE1-CG1 4.13Å; F825-I849 HydrophobicContact CE1-CG2 4.36Å; I849-L851 HydrophobicContact CG2-CD2 4.05Å; I849-G863 CarbonylContact O-C 3.51Å; I849-G863 WeakPolarHBondContact O-CA 3.4Å; I849-M864 HydrophobicContact CB-CB 4.27Å; I849-M864 HydrophobicContact CD1-CE 3.63Å; I849-M864 PolarHBondContact N-O 2.97Å; I849-M864 PolarHBondContact O-N 3.29Å
850I89.8Confident87.6Confident0 Ų072 Ų720%034%0.339CS..EExtended strand (participates in β ladder)trans-83.2125-179.1-48.5175.9000108.7T823 G824 A826 K853 W861 E879T823-I850 PolarHBondContact N-O 3.03Å; T823-I850 WeakPolarHBondContact OG1-CG2 3.17Å; T823-I850 PolarHBondContact OG1-O 2.73Å; G824-I850 PolarHBondContact N-O 3.41Å; G824-I850 WeakPolarHBondContact O-CB 3.41Å; G824-I850 PolarHBondContact O-N 3.31Å; A826-I850 HydrophobicContact CB-CD1 4.03Å; A826-I850 HydrophobicContact CB-CG1 4.24Å; I850-K853 HydrophobicContact CG2-CD 4.49Å; I850-K853 HydrophobicContact CG2-CG 3.77Å; I850-W861 HydrophobicContact CD1-CE3 4.01Å; I850-W861 HydrophobicContact CD1-CZ3 3.87Å; I850-W861 HydrophobicContact CG1-CE3 4.49Å; I850-E879 HydrophobicContact CD1-CG 4.17Å
851L84.4Confident87.8Confident19 Ų1973.1 Ų73.110%0.09934%0.342CS..EExtended strand (participates in β ladder)trans-106.6-30.9-179.5-57.3177.4000112.1L739 I821 I822 I849 R862 M864 M869L739-L851 HydrophobicContact CD2-CD1 4.33Å; L739-L851 HydrophobicContact CD2-CD2 3.93Å; I821-L851 HydrophobicContact CG2-CD2 3.51Å; I822-L851 HydrophobicContact CG1-CD2 4.31Å; I849-L851 HydrophobicContact CG2-CD2 4.05Å; L851-R862 PolarHBondContact N-O 3.11Å; L851-M864 HydrophobicContact CD1-CB 4.13Å; L851-M869 HydrophobicContact CD1-CB 4.44Å; L851-M869 HydrophobicContact CD1-CE 3.46Å; L851-M869 VanDerWaalsContact CD1-CE 3.46Å; L851-M869 HydrophobicContact CD1-CG 3.81Å; L851-M869 HydrophobicContact CD1-SD 3.96Å
852S85.6Confident87.7Confident25 Ų2574.6 Ų74.618%0.17534%0.339CS..EExtended strand (participates in β ladder)trans-156138175.3174.60000111K854 R862S852-K854 WeakPolarHBondContact OG-CB 3.38Å; S852-K854 WeakPolarHBondContact OG-CG 3.42Å; S852-K854 PolarHBondContact OG-N 3.08Å; S852-K854 VanDerWaalsContact OG-N 3.12Å; S852-R862 PolarHBondContact N-O 3.48Å; S852-R862 PolarHBondContact O-N 3.1Å
853K89.2Confident87.4Confident66 Ų6674.2 Ų74.229%0.28734%0.337SS..  trans-108.213.2169.7-60.6-175.8-172.1172.60112.4I850 D855 S856 W861 E879I850-K853 HydrophobicContact CG2-CD 4.49Å; I850-K853 HydrophobicContact CG2-CG 3.77Å; K853-D855 PolarHBondContact O-N 3.19Å; K853-S856 WeakPolarHBondContact O-CB 3.29Å; K853-S856 PolarHBondContact O-N 3.1Å; K853-S856 VanDerWaalsContact O-N 3.08Å; K853-S856 PolarHBondContact O-OG 2.81Å; K853-W861 HydrophobicContact CD-CZ2 4.2Å; K853-W861 HydrophobicContact CG-CD2 4.15Å; K853-W861 HydrophobicContact CG-CG 4.21Å; K853-E879 VanDerWaalsContact CE-OE1 3.32Å; K853-E879 WeakPolarHBondContact CE-OE1 3.08Å; K853-E879 IonicContact NZ-OE1 3.87Å; K853-E879 PolarHBondContact NZ-OE1 2.78Å; K853-E879 IonicContact NZ-OE2 3.05Å; K853-E879 PolarHBondContact NZ-OE2 2.64Å
854K78.1Confident87.1Confident179 Ų17965.5 Ų65.578%0.77830%0.304SS*.THydrogen-bonded Turntrans-58.2-31.7-175.9-71.8-176.4175.7-176.70113.4S852S852-K854 WeakPolarHBondContact OG-CB 3.38Å; S852-K854 WeakPolarHBondContact OG-CG 3.42Å; S852-K854 PolarHBondContact OG-N 3.08Å; S852-K854 VanDerWaalsContact OG-N 3.12Å
855D76.2Confident86.9Confident43 Ų4358.2 Ų58.223%0.2328%0.277CS..THydrogen-bonded Turntrans-94.718.6-179.8-62.4-60.6000113.7K853 E857 R858 G859 W860 Y871K853-D855 PolarHBondContact O-N 3.19Å; D855-E857 PolarHBondContact O-N 3.14Å; D855-E857 VanDerWaalsContact O-N 3.17Å; D855-R858 PolarHBondContact O-N 3.35Å; D855-G859 PolarHBondContact O-N 3.49Å; D855-W860 CarbonylContact C-O 3.59Å; D855-W860 HydrophobicContact CB-CB 4.41Å; D855-W860 WeakPolarHBondContact CB-O 3.2Å; D855-W860 PolarHBondContact O-N 3.14Å; D855-W860 VanDerWaalsContact O-O 3.08Å; D855-Y871 HydrophobicContact CB-CE1 4.4Å; D855-Y871 VanDerWaalsContact OD2-CE1 3.22Å; D855-Y871 WeakPolarHBondContact OD2-CE1 3.31Å; D855-Y871 PolarHBondContact OD2-OH 2.73Å; D855-Y871 VanDerWaalsContact OD2-OH 3.1Å
856S83.2Confident86.5Confident48 Ų4859.9 Ų59.934%0.33629%0.286SS..G310 helixtrans-55.3-34.9-178.8-660000113.1K853 R858 G859 W860 W861K853-S856 WeakPolarHBondContact O-CB 3.29Å; K853-S856 PolarHBondContact O-N 3.1Å; K853-S856 VanDerWaalsContact O-N 3.08Å; K853-S856 PolarHBondContact O-OG 2.81Å; S856-R858 PolarHBondContact O-N 2.84Å; S856-G859 WeakPolarHBondContact O-CA 3.31Å; S856-G859 PolarHBondContact O-N 3.02Å; S856-W860 PolarHBondContact N-O 3.2Å; S856-W861 PolarHBondContact OG-NE1 2.82Å
857E79.2Confident85.7Confident196 Ų19658.9 Ų58.992%0.91629%0.287SS*.G310 helixtrans-62.5-26.1178.7-59-175.2-176.100112.8D855 G859D855-E857 PolarHBondContact O-N 3.14Å; D855-E857 VanDerWaalsContact O-N 3.17Å; E857-G859 VanDerWaalsContact C-N 3.34Å
858R81.2Confident85.4Confident169 Ų16964.9 Ų64.964%0.63831%0.305SS*.G310 helixtrans-90.9-0.5175-59.5-177-177.2-173.23.3112.5D855 S856D855-R858 PolarHBondContact O-N 3.35Å; S856-R858 PolarHBondContact O-N 2.84Å
859G87.8Confident85.1Confident26 Ų2666.8 Ų66.827%0.26832%0.315SS..THydrogen-bonded Turntrans81.515.5-176.200000114.6D855 S856 E857 P873 C874D855-G859 PolarHBondContact O-N 3.49Å; S856-G859 WeakPolarHBondContact O-CA 3.31Å; S856-G859 PolarHBondContact O-N 3.02Å; E857-G859 VanDerWaalsContact C-N 3.34Å; G859-P873 CarbonylContact O-C 3.53Å; G859-P873 VanDerWaalsContact O-CA 3.28Å; G859-P873 WeakPolarHBondContact O-CA 3.34Å; G859-C874 VanDerWaalsContact C-SG 3.53Å; G859-C874 PolarHBondContact O-N 3.09Å; G859-C874 PolarHBondContact O-SG 3.38Å; G859-C874 VanDerWaalsContact O-SG 3.34Å
860W90.7Very high85Confident81 Ų8166.5 Ų66.531%0.30731%0.313SS..EExtended strand (participates in β ladder)trans-121136.2-176-65.389.3000112F832 M839 D855 S856 Y871 F872 P873F832-W860 HydrophobicContact CE2-CH2 4.46Å; F832-W860 HydrophobicContact CE2-CZ3 4.47Å; F832-W860 HydrophobicContact CZ-CH2 4.11Å; F832-W860 AromaticContact CZ-CZ3 3.83Å; F832-W860 HydrophobicContact CZ-CZ3 3.83Å; M839-W860 HydrophobicContact CE-CH2 3.53Å; M839-W860 HydrophobicContact CE-CZ2 4.2Å; M839-W860 HydrophobicContact CE-CZ3 3.79Å; M839-W860 HydrophobicContact CG-CZ3 4.5Å; M839-W860 HydrophobicContact SD-CH2 4.09Å; M839-W860 HydrophobicContact SD-CZ3 4.08Å; D855-W860 CarbonylContact C-O 3.59Å; D855-W860 HydrophobicContact CB-CB 4.41Å; D855-W860 WeakPolarHBondContact CB-O 3.2Å; D855-W860 PolarHBondContact O-N 3.14Å; D855-W860 VanDerWaalsContact O-O 3.08Å; S856-W860 PolarHBondContact N-O 3.2Å; W860-Y871 HydrophobicContact CB-CD1 4.28Å; W860-F872 WeakPolarHBondContact CA-O 3.45Å; W860-P873 HydrophobicContact CE3-CG 4.3Å; W860-P873 HydrophobicContact CH2-CG 3.95Å; W860-P873 HydrophobicContact CZ3-CG 3.83Å
861W92.8Very high85.1Confident26 Ų2669.6 Ų69.610%0.09833%0.326CS..EExtended strand (participates in β ladder)trans-113.7156.7167-67.8-13.2000109.9I850 K853 S856 Y871 F872 C874 V877 E879I850-W861 HydrophobicContact CD1-CE3 4.01Å; I850-W861 HydrophobicContact CD1-CZ3 3.87Å; I850-W861 HydrophobicContact CG1-CE3 4.49Å; K853-W861 HydrophobicContact CD-CZ2 4.2Å; K853-W861 HydrophobicContact CG-CD2 4.15Å; K853-W861 HydrophobicContact CG-CG 4.21Å; S856-W861 PolarHBondContact OG-NE1 2.82Å; W861-Y871 CarbonylContact O-C 3.58Å; W861-Y871 VanDerWaalsContact O-CA 3.26Å; W861-Y871 WeakPolarHBondContact O-CA 3.46Å; W861-F872 HydrophobicContact CB-CE1 4.06Å; W861-F872 HydrophobicContact CB-CE2 3.92Å; W861-F872 HydrophobicContact CB-CZ 3.62Å; W861-F872 AromaticContact CE3-CE2 3.97Å; W861-F872 HydrophobicContact CE3-CE2 3.97Å; W861-F872 HydrophobicContact CE3-CZ 4.07Å; W861-F872 PolarHBondContact N-O 3.46Å; W861-F872 PolarHBondContact O-N 2.59Å; W861-C874 HydrophobicContact CD2-CB 3.4Å; W861-C874 HydrophobicContact CE3-CB 3.98Å; W861-C874 HydrophobicContact CG-CB 3.69Å; W861-C874 HydrophobicContact CH2-CB 4.23Å; W861-C874 HydrophobicContact CZ2-CB 3.72Å; W861-C874 HydrophobicContact CZ3-CB 4.36Å; W861-V877 HydrophobicContact CE3-CG2 3.76Å; W861-V877 HydrophobicContact CZ3-CG2 3.48Å; W861-V877 VanDerWaalsContact CZ3-CG2 3.48Å; W861-E879 HydrophobicContact CH2-CG 3.66Å; W861-E879 WeakPolarHBondContact CH2-OE1 3.46Å; W861-E879 HydrophobicContact CZ3-CG 3.83Å
862R91.1Very high85.5Confident92 Ų9268.7 Ų68.735%0.34732%0.321SS..EExtended strand (participates in β ladder)trans-104.2131.9170-165.9178.2-179.1-146-1.5108.5L851 S852 G870 Y871L851-R862 PolarHBondContact N-O 3.11Å; S852-R862 PolarHBondContact N-O 3.48Å; S852-R862 PolarHBondContact O-N 3.1Å; R862-G870 WeakPolarHBondContact CA-O 3.41Å; R862-Y871 HydrophobicContact CB-CD1 4.04Å; R862-Y871 HydrophobicContact CB-CE1 3.89Å; R862-Y871 HydrophobicContact CG-CE1 4.45Å; R862-Y871 HydrophobicContact CG-CE2 4.42Å
863G89Confident85.9Confident0 Ų068.2 Ų68.20%032%0.317CS..EExtended strand (participates in β ladder)trans-152.7-172.8178.700000113.1I849 M869 G870I849-G863 CarbonylContact O-C 3.51Å; I849-G863 WeakPolarHBondContact O-CA 3.4Å; G863-M869 CarbonylContact O-C 3.57Å; G863-M869 VanDerWaalsContact O-CA 3.31Å; G863-M869 WeakPolarHBondContact O-CA 3.38Å; G863-G870 PolarHBondContact N-O 3.29Å; G863-G870 PolarHBondContact O-N 2.94Å
864M88.5Confident86Confident1 Ų166.5 Ų66.51%0.00531%0.313CS..EExtended strand (participates in β ladder)trans-130.3134.9-179.7-173.817370.200110.7L735 L739 I849 L851 R868 M869L735-M864 WeakPolarHBondContact O-CE 3.36Å; L739-M864 HydrophobicContact CD1-CE 4.41Å; L739-M864 HydrophobicContact CD2-CE 3.77Å; L739-M864 HydrophobicContact CD2-SD 3.59Å; L739-M864 VanDerWaalsContact CD2-SD 3.59Å; L739-M864 HydrophobicContact CG-CE 3.84Å; L739-M864 HydrophobicContact CG-SD 4.02Å; I849-M864 HydrophobicContact CB-CB 4.27Å; I849-M864 HydrophobicContact CD1-CE 3.63Å; I849-M864 PolarHBondContact N-O 2.97Å; I849-M864 PolarHBondContact O-N 3.29Å; L851-M864 HydrophobicContact CD1-CB 4.13Å; M864-R868 VanDerWaalsContact CA-O 3.25Å; M864-R868 WeakPolarHBondContact CA-O 3.12Å; M864-R868 WeakPolarHBondContact CG-O 3.47Å; M864-M869 HydrophobicContact CB-CG 4.01Å; M864-M869 HydrophobicContact CG-CG 3.97Å; M864-M869 HydrophobicContact SD-CG 4.03Å
865V88Confident86.8Confident5 Ų562 Ų623%0.0330%0.304CS..EExtended strand (participates in β ladder)trans-135127.2173.7-174.20000107.8V840 F842 D846 V848 G867 R868V840-V865 HydrophobicContact CG1-CG2 4.48Å; V840-V865 HydrophobicContact CG2-CB 3.8Å; V840-V865 HydrophobicContact CG2-CG2 4.02Å; F842-V865 HydrophobicContact CB-CG1 4.04Å; F842-V865 HydrophobicContact CB-CG2 4.1Å; F842-V865 HydrophobicContact CD1-CG2 4.08Å; D846-V865 HydrophobicContact CB-CG1 4.35Å; V848-V865 HydrophobicContact CB-CG2 4.19Å; V848-V865 HydrophobicContact CG1-CG2 3.95Å; V848-V865 HydrophobicContact CG2-CG2 3.85Å; V865-G867 PolarHBondContact O-N 3.28Å; V865-G867 VanDerWaalsContact O-N 3.13Å; V865-R868 PolarHBondContact N-O 3.1Å; V865-R868 PolarHBondContact O-N 3.26Å
866N82.2Confident87.7Confident153 Ų15364 Ų6482%0.81831%0.309SS*.THydrogen-bonded Turntrans50.638.4179.2-63.5-42.9000114.1R868N866-R868 VanDerWaalsContact C-N 3.28Å; N866-R868 PolarHBondContact O-N 2.68Å
867G75.9Confident88.2Confident28 Ų2862.2 Ų62.229%0.28930%0.296SS..THydrogen-bonded Turntrans74.78.6-179.700000115.5K737 V865K737-G867 WeakPolarHBondContact O-CA 3.39Å; V865-G867 PolarHBondContact O-N 3.28Å; V865-G867 VanDerWaalsContact O-N 3.13Å
868R81.2Confident88.9Confident197 Ų19757.4 Ų57.474%0.74328%0.276SS*.EExtended strand (participates in β ladder)trans-104.4128.5170.6-69.3-170.9177.5-172.4-0.2110V840 M864 V865 N866V840-R868 HydrophobicContact CG2-CB 4.22Å; V840-R868 WeakPolarHBondContact CG2-O 3.26Å; M864-R868 VanDerWaalsContact CA-O 3.25Å; M864-R868 WeakPolarHBondContact CA-O 3.12Å; M864-R868 WeakPolarHBondContact CG-O 3.47Å; V865-R868 PolarHBondContact N-O 3.1Å; V865-R868 PolarHBondContact O-N 3.26Å; N866-R868 VanDerWaalsContact C-N 3.28Å; N866-R868 PolarHBondContact O-N 2.68Å
869M84.5Confident89.4Confident40 Ų4053.9 Ų53.920%0.19727%0.266CS..EExtended strand (participates in β ladder)trans-97.2141.1177.7-67.9175.149.200110.6L739 L851 G863 M864L739-M869 HydrophobicContact CD2-SD 3.91Å; L851-M869 HydrophobicContact CD1-CB 4.44Å; L851-M869 HydrophobicContact CD1-CE 3.46Å; L851-M869 VanDerWaalsContact CD1-CE 3.46Å; L851-M869 HydrophobicContact CD1-CG 3.81Å; L851-M869 HydrophobicContact CD1-SD 3.96Å; G863-M869 CarbonylContact O-C 3.57Å; G863-M869 VanDerWaalsContact O-CA 3.31Å; G863-M869 WeakPolarHBondContact O-CA 3.38Å; M864-M869 HydrophobicContact CB-CG 4.01Å; M864-M869 HydrophobicContact CG-CG 3.97Å; M864-M869 HydrophobicContact SD-CG 4.03Å
870G86.6Confident89.2Confident2 Ų257.8 Ų57.82%0.02128%0.276CS..EExtended strand (participates in β ladder)trans179.4174.3176.100000113.2N838 V840 R862 G863N838-G870 CarbonylContact O-C 3.57Å; N838-G870 WeakPolarHBondContact O-CA 3.5Å; V840-G870 WeakPolarHBondContact CG1-O 3.4Å; R862-G870 WeakPolarHBondContact CA-O 3.41Å; G863-G870 PolarHBondContact N-O 3.29Å; G863-G870 PolarHBondContact O-N 2.94Å
871Y91.2Very high88Confident66 Ų6663.1 Ų63.126%0.25931%0.305SS..EExtended strand (participates in β ladder)trans-80.1147.9173.9-74.6-84.5000111.9N838 M839 V840 D855 W860 W861 R862N838-Y871 PolarHBondContact O-N 3.11Å; M839-Y871 VanDerWaalsContact CA-O 3.23Å; M839-Y871 WeakPolarHBondContact CA-O 3.26Å; M839-Y871 WeakPolarHBondContact CB-O 3.43Å; V840-Y871 PolarHBondContact N-O 3.2Å; V840-Y871 VanDerWaalsContact N-O 3.07Å; D855-Y871 HydrophobicContact CB-CE1 4.4Å; D855-Y871 VanDerWaalsContact OD2-CE1 3.22Å; D855-Y871 WeakPolarHBondContact OD2-CE1 3.31Å; D855-Y871 PolarHBondContact OD2-OH 2.73Å; D855-Y871 VanDerWaalsContact OD2-OH 3.1Å; W860-Y871 HydrophobicContact CB-CD1 4.28Å; W861-Y871 CarbonylContact O-C 3.58Å; W861-Y871 VanDerWaalsContact O-CA 3.26Å; W861-Y871 WeakPolarHBondContact O-CA 3.46Å; R862-Y871 HydrophobicContact CB-CD1 4.04Å; R862-Y871 HydrophobicContact CB-CE1 3.89Å; R862-Y871 HydrophobicContact CG-CE1 4.45Å; R862-Y871 HydrophobicContact CG-CE2 4.42Å
872F93.4Very high86.4Confident0 Ų068 Ų680%033%0.333CS..EExtended strand (participates in β ladder)trans-150.5156.6173.162.8-87.9000110.9F832 V840 F842 V848 W860 W861 C874 V877F832-F872 HydrophobicContact CD1-CB 3.94Å; F832-F872 HydrophobicContact CE1-CB 3.98Å; V840-F872 HydrophobicContact CG1-CB 4.33Å; V840-F872 HydrophobicContact CG1-CD1 3.89Å; F842-F872 HydrophobicContact CD1-CB 4.48Å; F842-F872 HydrophobicContact CE1-CB 3.44Å; F842-F872 VanDerWaalsContact CE1-CB 3.44Å; F842-F872 HydrophobicContact CE1-CD1 4.33Å; F842-F872 AromaticContact CE1-CD2 3.8Å; F842-F872 HydrophobicContact CE1-CD2 3.8Å; F842-F872 AromaticContact CE1-CG 3.6Å; F842-F872 HydrophobicContact CE1-CG 3.6Å; F842-F872 HydrophobicContact CZ-CB 4.04Å; F842-F872 HydrophobicContact CZ-CD2 4.02Å; F842-F872 HydrophobicContact CZ-CG 4.23Å; V848-F872 HydrophobicContact CG1-CD1 4.21Å; V848-F872 HydrophobicContact CG1-CE1 3.52Å; V848-F872 HydrophobicContact CG1-CE2 4.2Å; V848-F872 HydrophobicContact CG1-CZ 3.51Å; W860-F872 WeakPolarHBondContact CA-O 3.45Å; W861-F872 HydrophobicContact CB-CE1 4.06Å; W861-F872 HydrophobicContact CB-CE2 3.92Å; W861-F872 HydrophobicContact CB-CZ 3.62Å; W861-F872 AromaticContact CE3-CE2 3.97Å; W861-F872 HydrophobicContact CE3-CE2 3.97Å; W861-F872 HydrophobicContact CE3-CZ 4.07Å; W861-F872 PolarHBondContact N-O 3.46Å; W861-F872 PolarHBondContact O-N 2.59Å; F872-C874 PolarHBondContact O-N 3.17Å; F872-V877 HydrophobicContact CD2-CG1 3.87Å; F872-V877 HydrophobicContact CE2-CB 4.33Å; F872-V877 HydrophobicContact CE2-CG1 3.59Å; F872-V877 HydrophobicContact CE2-CG2 3.7Å
873P94.3Very high84.6Confident15 Ų1565.6 Ų65.610%0.09733%0.325CS..EExtended strand (participates in β ladder)trans-68.2127.8178.9-17.330.7000110.8F832 G859 W860 S875 Y876F832-P873 HydrophobicContact CD2-CG 3.93Å; F832-P873 VanDerWaalsContact CE2-CD 3.44Å; F832-P873 HydrophobicContact CE2-CG 3.63Å; F832-P873 HydrophobicContact CZ-CG 4.13Å; G859-P873 CarbonylContact O-C 3.53Å; G859-P873 VanDerWaalsContact O-CA 3.28Å; G859-P873 WeakPolarHBondContact O-CA 3.34Å; W860-P873 HydrophobicContact CE3-CG 4.3Å; W860-P873 HydrophobicContact CH2-CG 3.95Å; W860-P873 HydrophobicContact CZ3-CG 3.83Å; P873-S875 PolarHBondContact O-N 3.32Å; P873-Y876 HydrophobicContact CB-CD2 3.75Å; P873-Y876 HydrophobicContact CB-CE2 4.32Å; P873-Y876 HydrophobicContact CB-CG 4.34Å; P873-Y876 HydrophobicContact CG-CD2 4.07Å; P873-Y876 HydrophobicContact CG-CE2 4.36Å; P873-Y876 HydrophobicContact CG-CG 4.44Å; P873-Y876 WeakPolarHBondContact O-CB 3.38Å; P873-Y876 PolarHBondContact O-N 3.29Å
874C92.2Very high82.2Confident30 Ų3070.6 Ų70.620%0.20338%0.377CS..G310 helixtrans-62-27.5-179.860.50000112.8G859 W861 F872 Y876 V877G859-C874 VanDerWaalsContact C-SG 3.53Å; G859-C874 PolarHBondContact O-N 3.09Å; G859-C874 PolarHBondContact O-SG 3.38Å; G859-C874 VanDerWaalsContact O-SG 3.34Å; W861-C874 HydrophobicContact CD2-CB 3.4Å; W861-C874 HydrophobicContact CE3-CB 3.98Å; W861-C874 HydrophobicContact CG-CB 3.69Å; W861-C874 HydrophobicContact CH2-CB 4.23Å; W861-C874 HydrophobicContact CZ2-CB 3.72Å; W861-C874 HydrophobicContact CZ3-CB 4.36Å; F872-C874 PolarHBondContact O-N 3.17Å; C874-Y876 PolarHBondContact O-N 2.95Å; C874-V877 WeakPolarHBondContact O-CG2 3.41Å; C874-V877 PolarHBondContact O-N 3.18Å
875S93.5Very high81.9Confident84 Ų8474.1 Ų74.159%0.58740%0.395SS*.G310 helixtrans-68.1-12.6176.156.40000114.5P873 V877P873-S875 PolarHBondContact O-N 3.32Å; S875-V877 VanDerWaalsContact C-N 3.34Å
876Y95.5Very high81.6Confident85 Ų8577.7 Ų77.733%0.33341%0.414SS..G310 helixtrans-89.6-0.9-179.8-85.4-124.1000113A828 L829 H830 D831 F832 P873 C874A828-Y876 CarbonylContact C-O 3.53Å; L829-Y876 PolarHBondContact N-O 3.13Å; H830-Y876 HydrophobicContact CB-CD1 3.62Å; H830-Y876 HydrophobicContact CB-CE1 3.87Å; H830-Y876 HydrophobicContact CB-CG 4.3Å; D831-Y876 VanDerWaalsContact O-CE1 3.3Å; D831-Y876 WeakPolarHBondContact O-CE1 3.2Å; F832-Y876 HydrophobicContact CB-CD1 3.82Å; F832-Y876 HydrophobicContact CB-CE1 4.3Å; F832-Y876 HydrophobicContact CD2-CD1 4.26Å; F832-Y876 HydrophobicContact CD2-CE1 4.22Å; F832-Y876 HydrophobicContact CG-CD1 4.42Å; P873-Y876 HydrophobicContact CB-CD2 3.75Å; P873-Y876 HydrophobicContact CB-CE2 4.32Å; P873-Y876 HydrophobicContact CB-CG 4.34Å; P873-Y876 HydrophobicContact CG-CD2 4.07Å; P873-Y876 HydrophobicContact CG-CE2 4.36Å; P873-Y876 HydrophobicContact CG-CG 4.44Å; P873-Y876 WeakPolarHBondContact O-CB 3.38Å; P873-Y876 PolarHBondContact O-N 3.29Å; C874-Y876 PolarHBondContact O-N 2.95Å
877V94.3Very high81.6Confident10 Ų1073.6 Ų73.66%0.06139%0.392CS..EExtended strand (participates in β ladder)trans-133.1158.1-177.3-51.80000110.9A826 I827 F842 V848 W861 F872 C874 S875A826-V877 HydrophobicContact CB-CB 3.69Å; A826-V877 HydrophobicContact CB-CG1 4.49Å; A826-V877 HydrophobicContact CB-CG2 3.6Å; I827-V877 CarbonylContact O-C 3.55Å; I827-V877 VanDerWaalsContact O-CA 3.22Å; I827-V877 WeakPolarHBondContact O-CA 3.38Å; F842-V877 HydrophobicContact CE1-CG1 4.37Å; F842-V877 HydrophobicContact CE2-CG1 4.27Å; F842-V877 HydrophobicContact CZ-CG1 3.8Å; V848-V877 HydrophobicContact CG2-CG1 4.04Å; W861-V877 HydrophobicContact CE3-CG2 3.76Å; W861-V877 HydrophobicContact CZ3-CG2 3.48Å; W861-V877 VanDerWaalsContact CZ3-CG2 3.48Å; F872-V877 HydrophobicContact CD2-CG1 3.87Å; F872-V877 HydrophobicContact CE2-CB 4.33Å; F872-V877 HydrophobicContact CE2-CG1 3.59Å; F872-V877 HydrophobicContact CE2-CG2 3.7Å; C874-V877 WeakPolarHBondContact O-CG2 3.41Å; C874-V877 PolarHBondContact O-N 3.18Å; S875-V877 VanDerWaalsContact C-N 3.34Å
878I93.6Very high81.9Confident96 Ų9676.2 Ų76.249%0.49240%0.398SS..EExtended strand (participates in β ladder)trans-118.5128.1168.2-170.7166.2000109A826 I827 L829A826-I878 CarbonylContact C-O 3.5Å; A826-I878 WeakPolarHBondContact CA-O 3.27Å; A826-I878 WeakPolarHBondContact CB-O 3.45Å; I827-I878 HydrophobicContact CB-CG2 4.26Å; I827-I878 PolarHBondContact N-O 3.26Å; I827-I878 PolarHBondContact O-N 3.24Å; L829-I878 HydrophobicContact CD1-CB 4.13Å; L829-I878 HydrophobicContact CD2-CB 3.98Å; L829-I878 HydrophobicContact CD2-CG2 3.7Å; L829-I878 HydrophobicContact CG-CB 4.1Å; L829-I878 HydrophobicContact CG-CG2 4.17Å
879E91.1Very high81.9Confident94 Ų9468.7 Ų68.744%0.43938%0.376SS..EExtended strand (participates in β ladder)trans-62.9148.4179.3-65.5-167.7-15200112F825 I850 K853 W861F825-E879 CarbonylContact O-C 3.57Å; F825-E879 WeakPolarHBondContact O-CA 3.37Å; I850-E879 HydrophobicContact CD1-CG 4.17Å; K853-E879 VanDerWaalsContact CE-OE1 3.32Å; K853-E879 WeakPolarHBondContact CE-OE1 3.08Å; K853-E879 IonicContact NZ-OE1 3.87Å; K853-E879 PolarHBondContact NZ-OE1 2.78Å; K853-E879 IonicContact NZ-OE2 3.05Å; K853-E879 PolarHBondContact NZ-OE2 2.64Å; W861-E879 HydrophobicContact CH2-CG 3.66Å; W861-E879 WeakPolarHBondContact CH2-OE1 3.46Å; W861-E879 HydrophobicContact CZ3-CG 3.83Å
880K84.1Confident81.8Confident108 Ų10870.6 Ų70.647%0.4739%0.388SS..EExtended strand (participates in β ladder)trans-121.6140.4170.8-85-159.3159.2-175.20109.9F825 I827 D882F825-K880 PolarHBondContact O-N 2.89Å; I827-K880 HydrophobicContact CD1-CD 3.62Å; I827-K880 HydrophobicContact CD1-CG 4.37Å; I827-K880 HydrophobicContact CG1-CD 3.84Å; I827-K880 HydrophobicContact CG1-CG 4.2Å; K880-D882 VanDerWaalsContact C-N 3.31Å; K880-D882 PolarHBondContact O-N 3.04Å
881E65.4Low81.4Confident194 Ų19475.5 Ų75.591%0.90742%0.415SS*.SBendtrans-67.1-30.4-177.9-67.3-177.4161.600112.8
882D58.7Low80.7Confident128 Ų12876.2 Ų76.268%0.68443%0.427SS*.SBendtrans-142.1155.2-177-83-42.4000114.3K880 G884K880-D882 VanDerWaalsContact C-N 3.31Å; K880-D882 PolarHBondContact O-N 3.04Å; D882-G884 PolarHBondContact O-N 3.16Å
883F54Low79.6Confident41 Ų4182.6 Ų82.618%0.1846%0.462CS..  trans-7764.7165.5-166.7-106.1000110.7L727 R731 L735 F825 L847L727-F883 HydrophobicContact CD1-CD1 4.15Å; L727-F883 HydrophobicContact CD1-CE1 4.07Å; R731-F883 HydrophobicContact CB-CE1 4.09Å; R731-F883 HydrophobicContact CG-CE1 4.45Å; L735-F883 HydrophobicContact CD1-CD1 3.89Å; L735-F883 HydrophobicContact CD1-CE1 3.65Å; L735-F883 HydrophobicContact CD1-CZ 4.07Å; L735-F883 HydrophobicContact CD2-CD1 3.99Å; L735-F883 HydrophobicContact CD2-CD2 3.55Å; L735-F883 HydrophobicContact CD2-CE1 3.74Å; L735-F883 HydrophobicContact CD2-CE2 3.22Å; L735-F883 HydrophobicContact CD2-CG 3.91Å; L735-F883 HydrophobicContact CD2-CZ 3.35Å; L735-F883 HydrophobicContact CG-CD1 4.11Å; L735-F883 HydrophobicContact CG-CD2 4.42Å; L735-F883 HydrophobicContact CG-CE1 3.54Å; L735-F883 HydrophobicContact CG-CE2 3.86Å; L735-F883 HydrophobicContact CG-CZ 3.39Å; F825-F883 HydrophobicContact CD1-CB 4.34Å; F825-F883 AromaticContact CD1-CD2 3.52Å; F825-F883 HydrophobicContact CD1-CD2 3.52Å; F825-F883 HydrophobicContact CD1-CE2 4.3Å; F825-F883 HydrophobicContact CD1-CG 4.36Å; F825-F883 HydrophobicContact CD2-CB 3.97Å; F825-F883 HydrophobicContact CE1-CB 3.95Å; F825-F883 AromaticContact CE1-CD2 3.22Å; F825-F883 HydrophobicContact CE1-CD2 3.22Å; F825-F883 AromaticContact CE1-CE2 3.94Å; F825-F883 HydrophobicContact CE1-CE2 3.94Å; F825-F883 AromaticContact CE1-CG 3.87Å; F825-F883 HydrophobicContact CE1-CG 3.87Å; F825-F883 HydrophobicContact CE2-CB 3.58Å; F825-F883 HydrophobicContact CE2-CD2 4.43Å; F825-F883 HydrophobicContact CE2-CG 4.39Å; F825-F883 HydrophobicContact CG-CB 4.34Å; F825-F883 HydrophobicContact CG-CD2 4.23Å; F825-F883 HydrophobicContact CZ-CB 3.56Å; F825-F883 AromaticContact CZ-CD2 3.74Å; F825-F883 HydrophobicContact CZ-CD2 3.74Å; F825-F883 AromaticContact CZ-CG 3.89Å; F825-F883 HydrophobicContact CZ-CG 3.89Å; L847-F883 HydrophobicContact CD2-CD2 3.84Å; L847-F883 HydrophobicContact CD2-CE2 3.41Å; L847-F883 VanDerWaalsContact CD2-CE2 3.41Å; L847-F883 HydrophobicContact CD2-CZ 4.4Å
884G38.9Very low78.3Confident106 Ų10688.7 Ų88.7100%1.09350%0.495SS*.  trans25.90168.400000118.6R731 D882R731-G884 PolarHBondContact NH1-O 2.84Å; D882-G884 PolarHBondContact O-N 3.16Å

Retrieved 884 of 884 residues in 163.7 ms (Link to these results)

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