A0A077ZB17_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZB17, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 542 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M63.1Low73.3Confident213 Ų21367.1 Ų67.1100%1.04932%0.318SS*.  0149.50-75.118018000108.7
2L69.1Low73.4Confident20 Ų2061.5 Ų61.511%0.10529%0.291CS..  trans-67.2144.4172.5-71175000111.1R4 N8 Y42 L81 E82 A86 V88L2-R4 VanDerWaalsContact C-N 3.34Å; L2-R4 PolarHBondContact O-N 3.13Å; L2-N8 HydrophobicContact CB-CB 4.38Å; L2-N8 HydrophobicContact CD1-CB 4.28Å; L2-N8 HydrophobicContact CD2-CB 3.91Å; L2-N8 HydrophobicContact CG-CB 4.4Å; L2-Y42 HydrophobicContact CD2-CE1 3.93Å; L2-L81 WeakPolarHBondContact CD1-O 3.27Å; L2-L81 HydrophobicContact CD2-CB 3.91Å; L2-L81 HydrophobicContact CD2-CD1 4.38Å; L2-L81 HydrophobicContact CG-CB 3.78Å; L2-L81 WeakPolarHBondContact CG-O 3.36Å; L2-E82 HydrophobicContact CD1-CG 4.31Å; L2-A86 HydrophobicContact CB-CB 4.27Å; L2-A86 HydrophobicContact CD1-CB 3.95Å; L2-A86 WeakPolarHBondContact CD1-O 3.43Å; L2-V88 HydrophobicContact CD1-CG2 3.96Å; L2-V88 HydrophobicContact CD2-CG2 3.51Å; L2-V88 HydrophobicContact CG-CG2 4.38Å
3P65.4Low73.6Confident53 Ų5356.8 Ų56.834%0.34427%0.269SS..SBendtrans-70.1-23.9-173.522.9-31000114.5N8P3-N8 WeakPolarHBondContact CD-OD1 3.32Å; P3-N8 VanDerWaalsContact CG-OD1 3.25Å; P3-N8 WeakPolarHBondContact CG-OD1 3.43Å
4R67.9Low73.9Confident55 Ų5552.8 Ų52.821%0.20825%0.25CS..SBendtrans-131151-176.5-71-179.8-75.7-160.5-6.1112.4L2 N8 I43 D45 A86L2-R4 VanDerWaalsContact C-N 3.34Å; L2-R4 PolarHBondContact O-N 3.13Å; R4-N8 PolarHBondContact N-OD1 3.06Å; R4-N8 PolarHBondContact O-ND2 2.83Å; R4-N8 PolarHBondContact O-OD1 3.14Å; R4-I43 PolarHBondContact NH2-O 3.25Å; R4-D45 IonicContact CZ-OD2 2.84Å; R4-D45 IonicContact NH1-OD1 3.94Å; R4-D45 IonicContact NH1-OD2 3.84Å; R4-D45 PolarHBondContact NH1-OD2 3.03Å; R4-A86 WeakPolarHBondContact O-CB 3.5Å
5Y78.9Confident74.4Confident200 Ų20049.4 Ų49.478%0.78423%0.234SC*.SBendtrans-69.5140.3158.1-69.7-73000109.4H85Y5-H85 CarbonylContact C-O 3.58Å; Y5-H85 VanDerWaalsContact CA-O 3.31Å; Y5-H85 WeakPolarHBondContact CA-O 3.46Å; Y5-H85 HydrophobicContact CD1-CB 3.76Å; Y5-H85 HydrophobicContact CE1-CB 4.22Å
6G80.5Confident74.9Confident14 Ų1447.4 Ų47.414%0.14423%0.226CC..EExtended strand (participates in β ladder)trans85.8-149.9-173.200000113N8 H85 A86 W87G6-N8 PolarHBondContact O-N 2.76Å; G6-N8 PolarHBondContact O-ND2 2.81Å; G6-H85 PolarHBondContact N-O 3.35Å; G6-A86 WeakPolarHBondContact O-CA 3.22Å; G6-W87 PolarHBondContact O-N 2.89Å; G6-W87 VanDerWaalsContact O-N 3.09Å
7P79.6Confident75.5Confident50 Ų5048.2 Ų48.233%0.32523%0.227SC..EExtended strand (participates in β ladder)trans-73.8121.9-174.628.1-33.5000112.1W87 E89P7-W87 HydrophobicContact CB-CZ2 4.44Å; P7-E89 HydrophobicContact CB-CG 3.93Å; P7-E89 VanDerWaalsContact CB-OE1 3.29Å; P7-E89 WeakPolarHBondContact CB-OE1 3.49Å
8N77.1Confident75.6Confident1 Ų148.3 Ų48.31%0.00523%0.227CC..EExtended strand (participates in β ladder)trans-98.992.1172.2-69.7-93.6000108.5L2 P3 R4 G6 M10 Y42 W87 V88 E89L2-N8 HydrophobicContact CB-CB 4.38Å; L2-N8 HydrophobicContact CD1-CB 4.28Å; L2-N8 HydrophobicContact CD2-CB 3.91Å; L2-N8 HydrophobicContact CG-CB 4.4Å; P3-N8 WeakPolarHBondContact CD-OD1 3.32Å; P3-N8 VanDerWaalsContact CG-OD1 3.25Å; P3-N8 WeakPolarHBondContact CG-OD1 3.43Å; R4-N8 PolarHBondContact N-OD1 3.06Å; R4-N8 PolarHBondContact O-ND2 2.83Å; R4-N8 PolarHBondContact O-OD1 3.14Å; G6-N8 PolarHBondContact O-N 2.76Å; G6-N8 PolarHBondContact O-ND2 2.81Å; N8-M10 PolarHBondContact O-N 3.28Å; N8-Y42 HydrophobicContact CB-CE1 4.47Å; N8-W87 WeakPolarHBondContact CB-O 3.35Å; N8-W87 PolarHBondContact N-O 2.98Å; N8-W87 PolarHBondContact ND2-O 2.67Å; N8-V88 WeakPolarHBondContact O-CA 3.45Å; N8-E89 PolarHBondContact O-N 3.28Å
9R76.4Confident75.5Confident103 Ų10348.8 Ų48.839%0.38923%0.233SC..EExtended strand (participates in β ladder)trans-67.1127.8-176-68.2179.6174.7174.83111.4I43 E89R9-I43 HydrophobicContact CB-CB 4.02Å; R9-I43 HydrophobicContact CB-CD1 3.94Å; R9-I43 HydrophobicContact CB-CG1 4.11Å; R9-I43 PolarHBondContact O-N 3.42Å; R9-E89 CarbonylContact C-O 3.55Å; R9-E89 VanDerWaalsContact CA-O 3.27Å; R9-E89 WeakPolarHBondContact CA-O 3.4Å; R9-E89 HydrophobicContact CG-CB 4.06Å; R9-E89 WeakPolarHBondContact CG-OE2 3.28Å; R9-E89 IonicContact CZ-OE2 3.05Å; R9-E89 IonicContact NE-OE2 3.95Å; R9-E89 PolarHBondContact NE-OE2 3.42Å; R9-E89 VanDerWaalsContact NE-OE2 3.1Å; R9-E89 IonicContact NH2-OE2 3.35Å
10M73.8Confident75.4Confident28 Ų2855.3 Ų55.314%0.13826%0.26CS..EExtended strand (participates in β ladder)trans-110144.3167.1-75.1-174.5-174.700109.4N8 T40 G41 Y42 V88 E89 L90 E91N8-M10 PolarHBondContact O-N 3.28Å; M10-T40 HydrophobicContact SD-CG2 4.44Å; M10-G41 CarbonylContact C-O 3.5Å; M10-G41 WeakPolarHBondContact CA-O 3.24Å; M10-Y42 HydrophobicContact CE-CD1 4.11Å; M10-Y42 HydrophobicContact CE-CE1 3.28Å; M10-Y42 HydrophobicContact CE-CE2 3.77Å; M10-Y42 WeakPolarHBondContact CE-OH 3.46Å; M10-Y42 HydrophobicContact CG-CD1 3.65Å; M10-Y42 HydrophobicContact CG-CE1 3.75Å; M10-Y42 HydrophobicContact CG-CG 4.21Å; M10-Y42 HydrophobicContact SD-CE1 4.36Å; M10-V88 HydrophobicContact CB-CG1 4.31Å; M10-V88 HydrophobicContact CE-CG1 3.92Å; M10-V88 HydrophobicContact CE-CG2 4.29Å; M10-V88 HydrophobicContact CG-CG1 3.82Å; M10-V88 HydrophobicContact SD-CG1 3.67Å; M10-E89 PolarHBondContact N-O 3.11Å; M10-L90 HydrophobicContact CB-CD1 3.63Å; M10-L90 CarbonylContact O-C 3.5Å; M10-L90 WeakPolarHBondContact O-CA 3.21Å; M10-E91 PolarHBondContact O-N 2.77Å
11M74Confident75.5Confident1 Ų159.7 Ų59.71%0.00529%0.286CS..EExtended strand (participates in β ladder)trans-115.9136.2169.9-170.5-178.962.900109V13 T40 G41 I43 L56 I59 T60 L63 E91 F93M11-V13 HydrophobicContact CE-CG2 3.47Å; M11-V13 VanDerWaalsContact CE-CG2 3.47Å; M11-V13 HydrophobicContact CG-CG2 3.8Å; M11-V13 HydrophobicContact SD-CG2 3.79Å; M11-T40 CarbonylContact O-C 3.6Å; M11-T40 VanDerWaalsContact O-CA 3.25Å; M11-T40 WeakPolarHBondContact O-CA 3.37Å; M11-G41 PolarHBondContact N-O 2.83Å; M11-G41 PolarHBondContact O-N 3.45Å; M11-I43 HydrophobicContact CB-CD1 3.96Å; M11-I43 HydrophobicContact CB-CG1 3.95Å; M11-L56 HydrophobicContact CE-CD2 3.98Å; M11-I59 HydrophobicContact CE-CG2 4.33Å; M11-T60 HydrophobicContact CB-CG2 4Å; M11-T60 VanDerWaalsContact CE-CA 3.41Å; M11-T60 HydrophobicContact CE-CG2 3.46Å; M11-T60 VanDerWaalsContact CE-CG2 3.46Å; M11-T60 WeakPolarHBondContact CE-OG1 3.48Å; M11-T60 HydrophobicContact CG-CG2 4.31Å; M11-T60 HydrophobicContact SD-CG2 3.4Å; M11-T60 WeakPolarHBondContact SD-CG2 2.96Å; M11-L63 HydrophobicContact CE-CD1 4.31Å; M11-L63 HydrophobicContact SD-CD1 4.49Å; M11-E91 CarbonylContact C-O 3.47Å; M11-E91 WeakPolarHBondContact CA-O 3.42Å; M11-F93 HydrophobicContact CG-CD2 3.58Å; M11-F93 HydrophobicContact CG-CE2 3.72Å; M11-F93 HydrophobicContact SD-CD2 3.91Å; M11-F93 HydrophobicContact SD-CE2 4.02Å
12S75Confident76.2Confident0 Ų054.1 Ų54.10%026%0.256CS..EExtended strand (participates in β ladder)trans-122.5130.9171-165.50000110.1F38 I39 T40 E91 M92 F93S12-F38 WeakPolarHBondContact OG-CB 3.44Å; S12-F38 VanDerWaalsContact OG-CD1 3.22Å; S12-F38 WeakPolarHBondContact OG-CD1 3.49Å; S12-I39 CarbonylContact C-O 3.48Å; S12-I39 WeakPolarHBondContact CA-O 3.01Å; S12-T40 WeakPolarHBondContact CB-OG1 3.31Å; S12-T40 PolarHBondContact OG-OG1 3.46Å; S12-E91 PolarHBondContact N-O 3.16Å; S12-M92 CarbonylContact O-C 3.52Å; S12-M92 VanDerWaalsContact O-CA 3.28Å; S12-M92 WeakPolarHBondContact O-CA 3.33Å; S12-F93 PolarHBondContact O-N 3.39Å
13V75.6Confident76.7Confident1 Ų154.8 Ų54.81%0.00626%0.261CS..EExtended strand (participates in β ladder)trans-130.8136.3-170.7-173.30000111M11 F15 I39 L63 F93 V95M11-V13 HydrophobicContact CE-CG2 3.47Å; M11-V13 VanDerWaalsContact CE-CG2 3.47Å; M11-V13 HydrophobicContact CG-CG2 3.8Å; M11-V13 HydrophobicContact SD-CG2 3.79Å; V13-F15 HydrophobicContact CB-CE2 4.27Å; V13-F15 HydrophobicContact CG1-CD2 4.11Å; V13-F15 HydrophobicContact CG1-CE1 4.39Å; V13-F15 HydrophobicContact CG1-CE2 3.7Å; V13-F15 HydrophobicContact CG1-CZ 3.85Å; V13-I39 PolarHBondContact N-O 3.45Å; V13-I39 PolarHBondContact O-N 3.02Å; V13-L63 HydrophobicContact CB-CD1 4.37Å; V13-L63 HydrophobicContact CG1-CD1 3.71Å; V13-L63 HydrophobicContact CG2-CD1 3.74Å; V13-F93 WeakPolarHBondContact CA-O 3.18Å; V13-V95 HydrophobicContact CG1-CB 4.14Å; V13-V95 HydrophobicContact CG1-CG2 3.36Å
14I78.6Confident77.6Confident0 Ų054.1 Ų54.10%025%0.254CS..EExtended strand (participates in β ladder)trans-112.3128.5165.1-64.8179.8000109.2V16 I25 A37 F38 F93 V95 L130I14-V16 HydrophobicContact CG2-CG2 3.92Å; I14-I25 HydrophobicContact CG2-CD1 3.68Å; I14-I25 HydrophobicContact CG2-CG1 3.85Å; I14-A37 HydrophobicContact CG1-CB 4.45Å; I14-F38 HydrophobicContact CD1-CD1 3.66Å; I14-F38 HydrophobicContact CD1-CD2 3.9Å; I14-F38 HydrophobicContact CD1-CE1 3.29Å; I14-F38 HydrophobicContact CD1-CE2 3.6Å; I14-F38 HydrophobicContact CD1-CG 3.96Å; I14-F38 HydrophobicContact CD1-CZ 3.29Å; I14-F38 HydrophobicContact CG1-CD1 3.46Å; I14-F38 VanDerWaalsContact CG1-CD1 3.46Å; I14-F38 HydrophobicContact CG1-CD2 4.32Å; I14-F38 HydrophobicContact CG1-CE1 3.56Å; I14-F38 HydrophobicContact CG1-CE2 4.43Å; I14-F38 HydrophobicContact CG1-CG 3.88Å; I14-F38 HydrophobicContact CG1-CZ 4.08Å; I14-F93 PolarHBondContact N-O 2.82Å; I14-V95 PolarHBondContact O-N 2.86Å; I14-L130 HydrophobicContact CD1-CD1 3.93Å
15F81.7Confident78.4Confident2 Ų251.5 Ų51.51%0.00924%0.244CC..EExtended strand (participates in β ladder)trans-95.1127.6173.6-66.7-88.9000111.3V13 L26 I39 I59 L63 V95 L103 L108 M111 W119V13-F15 HydrophobicContact CB-CE2 4.27Å; V13-F15 HydrophobicContact CG1-CD2 4.11Å; V13-F15 HydrophobicContact CG1-CE1 4.39Å; V13-F15 HydrophobicContact CG1-CE2 3.7Å; V13-F15 HydrophobicContact CG1-CZ 3.85Å; F15-L26 HydrophobicContact CB-CB 4.04Å; F15-L26 HydrophobicContact CB-CD2 4.43Å; F15-L26 HydrophobicContact CD2-CD2 4.26Å; F15-L26 PolarHBondContact O-N 3.42Å; F15-I39 HydrophobicContact CD2-CD1 3.93Å; F15-I39 HydrophobicContact CE2-CD1 3.91Å; F15-I59 HydrophobicContact CZ-CD1 4.41Å; F15-I59 HydrophobicContact CZ-CG2 3.93Å; F15-L63 HydrophobicContact CZ-CD1 4.33Å; F15-V95 HydrophobicContact CD1-CB 3.77Å; F15-V95 HydrophobicContact CD1-CG1 3.65Å; F15-V95 HydrophobicContact CE1-CB 3.97Å; F15-V95 HydrophobicContact CE1-CG1 3.68Å; F15-V95 HydrophobicContact CE1-CG2 4.34Å; F15-V95 HydrophobicContact CG-CB 4.47Å; F15-L103 HydrophobicContact CE1-CD2 3.78Å; F15-L103 HydrophobicContact CE1-CG 4.34Å; F15-L103 HydrophobicContact CZ-CD2 4.41Å; F15-L108 HydrophobicContact CB-CD1 4.31Å; F15-L108 HydrophobicContact CD1-CD1 3.77Å; F15-L108 HydrophobicContact CD1-CD2 4.28Å; F15-L108 HydrophobicContact CD2-CD1 4.22Å; F15-L108 HydrophobicContact CD2-CD2 4.37Å; F15-L108 HydrophobicContact CE1-CD1 4.11Å; F15-L108 HydrophobicContact CE1-CD2 3.79Å; F15-L108 HydrophobicContact CE2-CD2 3.89Å; F15-L108 HydrophobicContact CG-CD1 3.83Å; F15-L108 HydrophobicContact CZ-CD1 4.47Å; F15-L108 HydrophobicContact CZ-CD2 3.57Å; F15-M111 HydrophobicContact CE2-CE 4.22Å; F15-W119 HydrophobicContact CB-CH2 3.83Å; F15-W119 HydrophobicContact CB-CZ3 4.42Å
16V82.3Confident78.7Confident18 Ų1842 Ų4211%0.10921%0.207CC..EExtended strand (participates in β ladder)trans-124.8121.6-177.9-175.50000110I14 V23 L24 L94 V95 P96 C97I14-V16 HydrophobicContact CG2-CG2 3.92Å; V16-V23 HydrophobicContact CG1-CG1 3.34Å; V16-L24 CarbonylContact C-O 3.53Å; V16-L24 WeakPolarHBondContact CA-O 3Å; V16-L94 HydrophobicContact CG2-CD1 4.09Å; V16-L94 HydrophobicContact CG2-CD2 4.27Å; V16-L94 HydrophobicContact CG2-CG 4.01Å; V16-V95 PolarHBondContact N-O 3.41Å; V16-P96 CarbonylContact O-C 3.56Å; V16-P96 WeakPolarHBondContact O-CA 3.33Å; V16-C97 PolarHBondContact O-N 3.12Å
17W84.1Confident78.9Confident61 Ų6141.9 Ų41.923%0.23120%0.203CC..EExtended strand (participates in β ladder)trans-107.7111176.5-165.2-44.4000111.2V23 L24 C97 C104 T105 W119W17-V23 CarbonylContact O-C 3.5Å; W17-L24 HydrophobicContact CB-CB 4.14Å; W17-L24 HydrophobicContact CB-CD1 4.43Å; W17-L24 PolarHBondContact N-O 3.06Å; W17-L24 PolarHBondContact O-N 3.39Å; W17-C97 HydrophobicContact CB-CB 3.83Å; W17-C97 HydrophobicContact CD2-CB 3.76Å; W17-C97 HydrophobicContact CE3-CB 3.88Å; W17-C97 HydrophobicContact CG-CB 3.76Å; W17-C104 HydrophobicContact CE3-CB 3.84Å; W17-C104 HydrophobicContact CZ3-CB 3.76Å; W17-T105 WeakPolarHBondContact CH2-OG1 3.37Å; W17-W119 HydrophobicContact CB-CE3 3.98Å; W17-W119 HydrophobicContact CB-CH2 3.95Å; W17-W119 HydrophobicContact CB-CZ3 3.62Å; W17-W119 HydrophobicContact CE3-CD2 4.47Å; W17-W119 AromaticContact CE3-CE2 3.86Å; W17-W119 HydrophobicContact CE3-CH2 4.15Å; W17-W119 AromaticContact CE3-CZ2 3.69Å; W17-W119 HydrophobicContact CE3-CZ2 3.69Å; W17-W119 HydrophobicContact CZ3-CZ2 4.35Å
18E77.2Confident79Confident50 Ų5046.1 Ų46.123%0.23422%0.216CC..EExtended strand (participates in β ladder)trans-95.3123.1176.6-174.7167-12500111.5V23 I161E18-V23 HydrophobicContact CG-CG2 4.46Å; E18-I161 VanDerWaalsContact CD-CD1 3.46Å; E18-I161 HydrophobicContact CG-CG2 4.3Å; E18-I161 WeakPolarHBondContact OE1-CB 3.28Å; E18-I161 WeakPolarHBondContact OE1-CD1 3.34Å; E18-I161 WeakPolarHBondContact OE1-CG1 3.39Å; E18-I161 WeakPolarHBondContact OE1-CG2 3.34Å; E18-I161 VanDerWaalsContact OE2-CD1 3.24Å; E18-I161 WeakPolarHBondContact OE2-CD1 3.33Å; E18-I161 VanDerWaalsContact OE2-CG1 3.23Å; E18-I161 WeakPolarHBondContact OE2-CG1 3.38Å
19T74.9Confident79.1Confident57 Ų5748.4 Ų48.435%0.3523%0.232SC..  trans-105.8-179.1170.366.90000109.2D21 K22T19-D21 PolarHBondContact O-N 3.38Å; T19-K22 PolarHBondContact N-O 3.37Å; T19-K22 WeakPolarHBondContact OG1-CA 3.29Å; T19-K22 WeakPolarHBondContact OG1-CB 3.39Å; T19-K22 PolarHBondContact OG1-N 2.99Å; T19-K22 PolarHBondContact OG1-O 3.4Å
20K73Confident78.9Confident178 Ų17846.8 Ų46.877%0.77424%0.24SC*.SBendtrans-60.1-32.6179.4-70.5-174.5178.9-179.10113
21D76.9Confident78.8Confident149 Ų14955.3 Ų55.380%0.79728%0.277SS*.SBendtrans-122.4-12.8-169.7-49.5-51.2000113.6T19T19-D21 PolarHBondContact O-N 3.38Å
22K78.7Confident78.6Confident95 Ų9556 Ų5641%0.41328%0.282SS..  trans-140.9144.7-170.3-55.8-178169.8-153.40111.9T19 E121T19-K22 PolarHBondContact N-O 3.37Å; T19-K22 WeakPolarHBondContact OG1-CA 3.29Å; T19-K22 WeakPolarHBondContact OG1-CB 3.39Å; T19-K22 PolarHBondContact OG1-N 2.99Å; T19-K22 PolarHBondContact OG1-O 3.4Å; K22-E121 HydrophobicContact CB-CG 4.4Å; K22-E121 HydrophobicContact CD-CG 4.33Å; K22-E121 WeakPolarHBondContact CD-OE1 3.37Å; K22-E121 WeakPolarHBondContact CD-OE2 3.07Å; K22-E121 WeakPolarHBondContact CE-OE1 2.98Å; K22-E121 WeakPolarHBondContact CE-OE2 3Å; K22-E121 WeakPolarHBondContact CG-OE1 3.41Å; K22-E121 IonicContact NZ-OE1 3.51Å; K22-E121 IonicContact NZ-OE2 2.76Å; K22-E121 PolarHBondContact NZ-OE2 2.77Å
23V79Confident78.3Confident35 Ų3558.5 Ų58.521%0.21230%0.299CS..EExtended strand (participates in β ladder)trans-106.7125.1165.9-176.50000107.9V16 W17 E18 M122V16-V23 HydrophobicContact CG1-CG1 3.34Å; W17-V23 CarbonylContact O-C 3.5Å; E18-V23 HydrophobicContact CG-CG2 4.46Å; V23-M122 HydrophobicContact CB-CB 4.36Å; V23-M122 HydrophobicContact CB-CE 4.09Å; V23-M122 HydrophobicContact CG1-CB 4.45Å; V23-M122 HydrophobicContact CG1-CE 3.66Å; V23-M122 WeakPolarHBondContact O-CB 3.1Å; V23-M122 PolarHBondContact O-N 2.76Å
24L85.1Confident78Confident38 Ų3859.5 Ų59.520%0.19930%0.303CS..EExtended strand (participates in β ladder)trans-106.6141.7176.3-49.3167.4000108.9V16 W17 W119 H120 E121V16-L24 CarbonylContact C-O 3.53Å; V16-L24 WeakPolarHBondContact CA-O 3Å; W17-L24 HydrophobicContact CB-CB 4.14Å; W17-L24 HydrophobicContact CB-CD1 4.43Å; W17-L24 PolarHBondContact N-O 3.06Å; W17-L24 PolarHBondContact O-N 3.39Å; L24-W119 HydrophobicContact CB-CB 4.34Å; L24-W119 HydrophobicContact CB-CD2 4.46Å; L24-W119 HydrophobicContact CB-CE3 3.71Å; L24-W119 HydrophobicContact CB-CZ3 4.46Å; L24-W119 HydrophobicContact CD1-CB 4.35Å; L24-H120 CarbonylContact C-O 3.53Å; L24-H120 VanDerWaalsContact CA-O 3.29Å; L24-H120 WeakPolarHBondContact CA-O 3.2Å; L24-E121 HydrophobicContact CD2-CB 4.07Å
25I84.8Confident77.4Confident1 Ų163.6 Ų63.61%0.00532%0.322CS..EExtended strand (participates in β ladder)trans-117.8140.6172.5-169.7168.4000109.1I14 K27 Y34 A37 H120 L130I14-I25 HydrophobicContact CG2-CD1 3.68Å; I14-I25 HydrophobicContact CG2-CG1 3.85Å; I25-K27 HydrophobicContact CG2-CD 4.14Å; I25-K27 HydrophobicContact CG2-CG 4.35Å; I25-Y34 HydrophobicContact CD1-CD1 3.93Å; I25-Y34 HydrophobicContact CD1-CE1 4.06Å; I25-Y34 HydrophobicContact CG2-CE1 4.45Å; I25-A37 HydrophobicContact CD1-CB 3.63Å; I25-A37 HydrophobicContact CG1-CB 3.99Å; I25-H120 PolarHBondContact N-O 3Å; I25-H120 PolarHBondContact O-N 3.11Å; I25-L130 HydrophobicContact CD1-CD1 4.18Å
26L85Confident76.8Confident1 Ų167.4 Ų67.41%0.00534%0.343CS..EExtended strand (participates in β ladder)trans-84114.3175.6-172.364.7000109.8F15 I39 L108 Q112 L117 W119F15-L26 HydrophobicContact CB-CB 4.04Å; F15-L26 HydrophobicContact CB-CD2 4.43Å; F15-L26 HydrophobicContact CD2-CD2 4.26Å; F15-L26 PolarHBondContact O-N 3.42Å; L26-I39 HydrophobicContact CD2-CD1 4.29Å; L26-L108 HydrophobicContact CD2-CD1 3.73Å; L26-Q112 HydrophobicContact CD1-CG 4.06Å; L26-L117 HydrophobicContact CD1-CB 3.77Å; L26-L117 HydrophobicContact CD2-CB 4.34Å; L26-L117 HydrophobicContact CD2-CD1 4.21Å; L26-L117 HydrophobicContact CG-CB 3.85Å; L26-L117 HydrophobicContact CG-CD1 4.34Å; L26-W119 HydrophobicContact CB-CD2 4.49Å; L26-W119 HydrophobicContact CB-CE3 4.16Å; L26-W119 HydrophobicContact CB-CH2 4.07Å; L26-W119 HydrophobicContact CB-CZ2 4.41Å; L26-W119 HydrophobicContact CB-CZ3 3.94Å; L26-W119 HydrophobicContact CD1-CD2 4.23Å; L26-W119 HydrophobicContact CD1-CG 4.44Å
27K84.6Confident76.4Confident11 Ų1166.5 Ų66.55%0.04834%0.337CS..EExtended strand (participates in β ladder)trans-152.4169.5178.867.3177.7-171.6152.60112.1I25 S29 A30 S32 A37 Q118 H120I25-K27 HydrophobicContact CG2-CD 4.14Å; I25-K27 HydrophobicContact CG2-CG 4.35Å; K27-S29 WeakPolarHBondContact CE-O 3.24Å; K27-S29 PolarHBondContact NZ-O 3.36Å; K27-A30 PolarHBondContact NZ-O 2.84Å; K27-S32 PolarHBondContact NZ-O 2.95Å; K27-A37 HydrophobicContact CB-CB 3.98Å; K27-Q118 PolarHBondContact N-O 2.82Å; K27-Q118 VanDerWaalsContact N-O 3.08Å; K27-Q118 PolarHBondContact O-N 2.89Å; K27-Q118 VanDerWaalsContact O-O 3.07Å; K27-H120 HydrophobicContact CG-CB 4.3Å
28K81.3Confident75.8Confident138 Ų13864.7 Ų64.760%0.633%0.331SS*.SBendtrans-69.9-36.3-173-169.5174.7-177.1177.50114.7L117K28-L117 HydrophobicContact CB-CD2 4.41Å
29S79Confident75.6Confident49 Ų4963.1 Ų63.134%0.34332%0.324SS..  trans-154.9159.3172.981.40000111.6K27 K31 S32 H120K27-S29 WeakPolarHBondContact CE-O 3.24Å; K27-S29 PolarHBondContact NZ-O 3.36Å; S29-K31 PolarHBondContact O-N 2.78Å; S29-K31 VanDerWaalsContact O-N 3.1Å; S29-K31 PolarHBondContact OG-N 2.77Å; S29-S32 PolarHBondContact N-OG 3.42Å; S29-S32 WeakPolarHBondContact O-CB 3.23Å; S29-S32 PolarHBondContact O-N 3.35Å; S29-S32 PolarHBondContact O-OG 2.88Å; S29-S32 WeakPolarHBondContact OG-CB 3.46Å; S29-S32 PolarHBondContact OG-N 3.5Å; S29-H120 WeakPolarHBondContact CA-NE2 3.43Å
30A71.7Confident75.4Confident69 Ų6963.4 Ų63.457%0.5733%0.326SS*.THydrogen-bonded Turntrans-55.6-31.4175.300000112.8K27 H120K27-A30 PolarHBondContact NZ-O 2.84Å; A30-H120 PolarHBondContact N-CE1 3.36Å; A30-H120 PolarHBondContact N-NE2 2.88Å
31K73.2Confident75.1Confident207 Ų20755.7 Ų55.790%0.930%0.297SS*.THydrogen-bonded Turntrans-89.9-8.7179.5-63-175.7179.7-178.70114.1S29S29-K31 PolarHBondContact O-N 2.78Å; S29-K31 VanDerWaalsContact O-N 3.1Å; S29-K31 PolarHBondContact OG-N 2.77Å
32S68.6Low74.5Confident17 Ų1752.6 Ų52.612%0.11927%0.274CS..SBendtrans-68.6150.6-17983.20000110.4K27 S29 D36K27-S32 PolarHBondContact NZ-O 2.95Å; S29-S32 PolarHBondContact N-OG 3.42Å; S29-S32 WeakPolarHBondContact O-CB 3.23Å; S29-S32 PolarHBondContact O-N 3.35Å; S29-S32 PolarHBondContact O-OG 2.88Å; S29-S32 WeakPolarHBondContact OG-CB 3.46Å; S29-S32 PolarHBondContact OG-N 3.5Å; S32-D36 WeakPolarHBondContact CB-OD2 3.29Å
33S68.5Low73.8Confident52 Ų5249.6 Ų49.636%0.36426%0.263SS..  trans-57154.5175.31790000109.5E35 D36S33-E35 PolarHBondContact O-N 3.1Å; S33-E35 WeakPolarHBondContact OG-CB 3.22Å; S33-E35 PolarHBondContact OG-N 2.61Å; S33-E35 VanDerWaalsContact OG-N 3.15Å; S33-D36 PolarHBondContact N-OD2 3.01Å; S33-D36 WeakPolarHBondContact O-CB 3.46Å; S33-D36 PolarHBondContact O-N 3.45Å
34Y69.3Low72.6Confident21 Ų2150.2 Ų50.28%0.08227%0.269CS..G310 helixtrans-63.5-21.5168.6-80.5-76000111.7I25 D36 A37 N126 A129 L130 S133I25-Y34 HydrophobicContact CD1-CD1 3.93Å; I25-Y34 HydrophobicContact CD1-CE1 4.06Å; I25-Y34 HydrophobicContact CG2-CE1 4.45Å; Y34-D36 PolarHBondContact O-N 3.03Å; Y34-A37 VanDerWaalsContact O-CB 3.24Å; Y34-A37 WeakPolarHBondContact O-CB 2.93Å; Y34-A37 PolarHBondContact O-N 3.35Å; Y34-A37 VanDerWaalsContact O-N 3.08Å; Y34-N126 HydrophobicContact CE2-CB 3.88Å; Y34-N126 WeakPolarHBondContact OH-CB 3.39Å; Y34-N126 PolarHBondContact OH-ND2 2.98Å; Y34-N126 VanDerWaalsContact OH-ND2 3.14Å; Y34-A129 HydrophobicContact CD2-CB 3.9Å; Y34-A129 HydrophobicContact CE2-CB 3.75Å; Y34-L130 HydrophobicContact CD1-CB 4.15Å; Y34-L130 HydrophobicContact CD1-CD1 3.86Å; Y34-L130 HydrophobicContact CE1-CB 4.35Å; Y34-L130 HydrophobicContact CG-CD1 4.45Å; Y34-S133 WeakPolarHBondContact CB-OG 3.4Å
35E65.9Low70.9Confident87 Ų8752.7 Ų52.741%0.40728%0.282SS..G310 helixtrans-60.4-34.3170.2-65.6179.2165.300111.9S33 A37 F38 L137S33-E35 PolarHBondContact O-N 3.1Å; S33-E35 WeakPolarHBondContact OG-CB 3.22Å; S33-E35 PolarHBondContact OG-N 2.61Å; S33-E35 VanDerWaalsContact OG-N 3.15Å; E35-A37 PolarHBondContact O-N 3.1Å; E35-F38 WeakPolarHBondContact O-CB 3.43Å; E35-F38 PolarHBondContact O-N 3Å; E35-F38 VanDerWaalsContact O-N 3.1Å; E35-L137 HydrophobicContact CG-CD1 4.23Å
36D70.4Confident68.7Low81 Ų8157 Ų5743%0.43331%0.31SS..G310 helixtrans-72.5-5.4176.8-58.3-50000113.3S32 S33 Y34S32-D36 WeakPolarHBondContact CB-OD2 3.29Å; S33-D36 PolarHBondContact N-OD2 3.01Å; S33-D36 WeakPolarHBondContact O-CB 3.46Å; S33-D36 PolarHBondContact O-N 3.45Å; Y34-D36 PolarHBondContact O-N 3.03Å
37A73.4Confident66.6Low0 Ų065.3 Ų65.30%035%0.349CS..G310 helixtrans-84.7-16.3171.900000112.3I14 I25 K27 Y34 E35 I39I14-A37 HydrophobicContact CG1-CB 4.45Å; I25-A37 HydrophobicContact CD1-CB 3.63Å; I25-A37 HydrophobicContact CG1-CB 3.99Å; K27-A37 HydrophobicContact CB-CB 3.98Å; Y34-A37 VanDerWaalsContact O-CB 3.24Å; Y34-A37 WeakPolarHBondContact O-CB 2.93Å; Y34-A37 PolarHBondContact O-N 3.35Å; Y34-A37 VanDerWaalsContact O-N 3.08Å; E35-A37 PolarHBondContact O-N 3.1Å; A37-I39 PolarHBondContact O-N 2.86Å
38F72.2Confident64.6Low22 Ų2269 Ų6910%0.09637%0.369CS..  trans-79.6108.6178.7-77.6-76.8000111S12 I14 E35 T40 M92 I134 L137S12-F38 WeakPolarHBondContact OG-CB 3.44Å; S12-F38 VanDerWaalsContact OG-CD1 3.22Å; S12-F38 WeakPolarHBondContact OG-CD1 3.49Å; I14-F38 HydrophobicContact CD1-CD1 3.66Å; I14-F38 HydrophobicContact CD1-CD2 3.9Å; I14-F38 HydrophobicContact CD1-CE1 3.29Å; I14-F38 HydrophobicContact CD1-CE2 3.6Å; I14-F38 HydrophobicContact CD1-CG 3.96Å; I14-F38 HydrophobicContact CD1-CZ 3.29Å; I14-F38 HydrophobicContact CG1-CD1 3.46Å; I14-F38 VanDerWaalsContact CG1-CD1 3.46Å; I14-F38 HydrophobicContact CG1-CD2 4.32Å; I14-F38 HydrophobicContact CG1-CE1 3.56Å; I14-F38 HydrophobicContact CG1-CE2 4.43Å; I14-F38 HydrophobicContact CG1-CG 3.88Å; I14-F38 HydrophobicContact CG1-CZ 4.08Å; E35-F38 WeakPolarHBondContact O-CB 3.43Å; E35-F38 PolarHBondContact O-N 3Å; E35-F38 VanDerWaalsContact O-N 3.1Å; F38-T40 PolarHBondContact O-N 3.2Å; F38-M92 HydrophobicContact CD1-CE 4.02Å; F38-M92 HydrophobicContact CE1-CE 3.16Å; F38-M92 HydrophobicContact CE2-CE 4.32Å; F38-M92 HydrophobicContact CZ-CE 3.32Å; F38-I134 HydrophobicContact CZ-CG1 3.94Å; F38-L137 HydrophobicContact CD2-CD2 4.24Å; F38-L137 HydrophobicContact CE1-CD2 4.43Å; F38-L137 HydrophobicContact CE2-CD2 4.06Å; F38-L137 HydrophobicContact CG-CD2 4.47Å; F38-L137 HydrophobicContact CZ-CD2 4.14Å
39I72.2Confident62.5Low18 Ų1867.7 Ų67.79%0.09237%0.365CS..EExtended strand (participates in β ladder)trans-86104.2172.1-58173.9000107.3S12 V13 F15 L26 A37 L56 M111 L117S12-I39 CarbonylContact C-O 3.48Å; S12-I39 WeakPolarHBondContact CA-O 3.01Å; V13-I39 PolarHBondContact N-O 3.45Å; V13-I39 PolarHBondContact O-N 3.02Å; F15-I39 HydrophobicContact CD2-CD1 3.93Å; F15-I39 HydrophobicContact CE2-CD1 3.91Å; L26-I39 HydrophobicContact CD2-CD1 4.29Å; A37-I39 PolarHBondContact O-N 2.86Å; I39-L56 HydrophobicContact CG2-CD1 3.85Å; I39-L56 HydrophobicContact CG2-CG 4.37Å; I39-M111 HydrophobicContact CD1-CE 4.08Å; I39-M111 HydrophobicContact CD1-SD 4.38Å; I39-M111 HydrophobicContact CG2-SD 4.08Å; I39-L117 HydrophobicContact CD1-CD1 3.61Å; I39-L117 HydrophobicContact CG1-CD1 4.14Å
40T70.1Confident60.3Low62 Ų6270.9 Ų70.938%0.3839%0.385SS..EExtended strand (participates in β ladder)trans-108.7136.7-175.4-50.60000111.2M10 M11 S12 F38 L90M10-T40 HydrophobicContact SD-CG2 4.44Å; M11-T40 CarbonylContact O-C 3.6Å; M11-T40 VanDerWaalsContact O-CA 3.25Å; M11-T40 WeakPolarHBondContact O-CA 3.37Å; S12-T40 WeakPolarHBondContact CB-OG1 3.31Å; S12-T40 PolarHBondContact OG-OG1 3.46Å; F38-T40 PolarHBondContact O-N 3.2Å; T40-L90 HydrophobicContact CG2-CD1 4.28Å
41G66.9Low58.4Low16 Ų1676.5 Ų76.517%0.16540%0.397CS..EExtended strand (participates in β ladder)trans-157.4162.1172.700000112.8M10 M11M10-G41 CarbonylContact C-O 3.5Å; M10-G41 WeakPolarHBondContact CA-O 3.24Å; M11-G41 PolarHBondContact N-O 2.83Å; M11-G41 PolarHBondContact O-N 3.45Å
42Y65Low56.6Low84 Ų8469.2 Ų69.233%0.32938%0.375SS..EExtended strand (participates in β ladder)trans-73.3139.6175-71.2-85000110.8L2 N8 M10 S44L2-Y42 HydrophobicContact CD2-CE1 3.93Å; N8-Y42 HydrophobicContact CB-CE1 4.47Å; M10-Y42 HydrophobicContact CE-CD1 4.11Å; M10-Y42 HydrophobicContact CE-CE1 3.28Å; M10-Y42 HydrophobicContact CE-CE2 3.77Å; M10-Y42 WeakPolarHBondContact CE-OH 3.46Å; M10-Y42 HydrophobicContact CG-CD1 3.65Å; M10-Y42 HydrophobicContact CG-CE1 3.75Å; M10-Y42 HydrophobicContact CG-CG 4.21Å; M10-Y42 HydrophobicContact SD-CE1 4.36Å; Y42-S44 VanDerWaalsContact C-N 3.28Å; Y42-S44 PolarHBondContact O-N 3.3Å; Y42-S44 VanDerWaalsContact O-N 3.16Å
43I63.5Low55.4Low33 Ų3371.7 Ų71.717%0.16939%0.387CS..  trans-84.773.8168.9-45.9-174.3000107R4 R9 M11 T60R4-I43 PolarHBondContact NH2-O 3.25Å; R9-I43 HydrophobicContact CB-CB 4.02Å; R9-I43 HydrophobicContact CB-CD1 3.94Å; R9-I43 HydrophobicContact CB-CG1 4.11Å; R9-I43 PolarHBondContact O-N 3.42Å; M11-I43 HydrophobicContact CB-CD1 3.96Å; M11-I43 HydrophobicContact CB-CG1 3.95Å; I43-T60 HydrophobicContact CB-CG2 4.25Å; I43-T60 HydrophobicContact CD1-CG2 3.67Å; I43-T60 HydrophobicContact CG1-CG2 3.58Å; I43-T60 HydrophobicContact CG2-CG2 3.96Å
44S53.4Low54Low48 Ų4876 Ų7634%0.33641%0.405SS..  trans-73.4140.4176.752.20000110.9Y42Y42-S44 VanDerWaalsContact C-N 3.28Å; Y42-S44 PolarHBondContact O-N 3.3Å; Y42-S44 VanDerWaalsContact O-N 3.16Å
45D49Very low52.9Low89 Ų8976.4 Ų76.448%0.47641%0.41SS..  trans-58.2146.8163.6-84.1-32.4000109.2R4 E47 D48R4-D45 IonicContact CZ-OD2 2.84Å; R4-D45 IonicContact NH1-OD1 3.94Å; R4-D45 IonicContact NH1-OD2 3.84Å; R4-D45 PolarHBondContact NH1-OD2 3.03Å; D45-E47 PolarHBondContact O-N 3.25Å; D45-D48 PolarHBondContact O-N 2.95Å
46P39.4Very low52.1Low92 Ų9272.9 Ų72.960%0.59739%0.394SS*.THydrogen-bonded Turntrans-58.3-7.4-171.615.4-27.6000116.3
47E41.7Very low51Low175 Ų17574.9 Ų74.982%0.81840%0.399SS*.THydrogen-bonded Turntrans-105.8-13.7-173.6-63.1-171.8165.600114.8D45D45-E47 PolarHBondContact O-N 3.25Å
48D41.3Very low49.7Very low88 Ų8883.7 Ų83.747%0.47143%0.433SS..SBendtrans-101.1-11.3-162.8-77.4-29.9000117.3D45D45-D48 PolarHBondContact O-N 2.95Å
49Q38.5Very low48.9Very low112 Ų11283 Ų8352%0.52343%0.43SS..  trans-146.8115.8172.4-75.7-148.5-800114F51 A52Q49-F51 PolarHBondContact O-N 3.28Å; Q49-A52 HydrophobicContact CB-CB 4.44Å
50P31.3Very low48.1Very low115 Ų11582.6 Ų82.675%0.74743%0.429SS*.THydrogen-bonded Turntrans-73.6-2.6174.6-7.721.3000114.6
51F31.7Very low47.3Very low188 Ų18884.7 Ų84.783%0.82544%0.435SS*.THydrogen-bonded Turntrans-129.84.5-164.3-67.4-75.9000116.3Q49Q49-F51 PolarHBondContact O-N 3.28Å
52A35.6Very low46.6Very low53 Ų5386.9 Ų86.944%0.43845%0.447SS..SBendtrans-101.7102.9178.900000112.3Q49 L54Q49-A52 HydrophobicContact CB-CB 4.44Å; A52-L54 PolarHBondContact O-N 3Å
53D43.3Very low46.1Very low69 Ų6982.9 Ų82.937%0.36943%0.432SS..  trans34.375.3155.7-63.1-33.9000118.2P55 L56 K114D53-P55 VanDerWaalsContact C-N 3.26Å; D53-P55 WeakPolarHBondContact O-CD 3.18Å; D53-L56 PolarHBondContact O-N 3.43Å; D53-L56 VanDerWaalsContact O-N 3.14Å; D53-K114 IonicContact OD1-NZ 2.73Å; D53-K114 PolarHBondContact OD1-NZ 2.98Å
54L39.3Very low45.9Very low143 Ų14385.3 Ų85.375%0.74944%0.439SS*.Hα-helixtrans-36.7-30.5169.9-87.9128.7000118.5A52A52-L54 PolarHBondContact O-N 3Å
55P46.2Very low45.9Very low30 Ų3091.3 Ų91.320%0.19545%0.454CS..Hα-helixtrans-74.7-34.3179.5-1832.1000113.7D53 K57 I59 M111D53-P55 VanDerWaalsContact C-N 3.26Å; D53-P55 WeakPolarHBondContact O-CD 3.18Å; P55-K57 PolarHBondContact O-N 3.27Å; P55-I59 VanDerWaalsContact O-CD1 3.28Å; P55-I59 WeakPolarHBondContact O-CD1 3.31Å; P55-I59 WeakPolarHBondContact O-CG1 3.39Å; P55-M111 HydrophobicContact CB-CG 3.18Å; P55-M111 HydrophobicContact CB-SD 3.68Å; P55-M111 HydrophobicContact CG-CG 3.71Å
56L49.7Very low46.1Very low12 Ų1293 Ų936%0.06346%0.459CS..Hα-helixtrans-68.2-37.3-179-99.3117.4000111.1M11 I39 D53 Y58 I59 T60M11-L56 HydrophobicContact CE-CD2 3.98Å; I39-L56 HydrophobicContact CG2-CD1 3.85Å; I39-L56 HydrophobicContact CG2-CG 4.37Å; D53-L56 PolarHBondContact O-N 3.43Å; D53-L56 VanDerWaalsContact O-N 3.14Å; L56-Y58 VanDerWaalsContact C-N 3.29Å; L56-Y58 PolarHBondContact O-N 2.99Å; L56-Y58 VanDerWaalsContact O-N 3.15Å; L56-I59 CarbonylContact O-C 3.5Å; L56-I59 WeakPolarHBondContact O-CA 3.33Å; L56-I59 WeakPolarHBondContact O-CB 3.32Å; L56-I59 PolarHBondContact O-N 2.88Å; L56-T60 PolarHBondContact O-N 3.08Å; L56-T60 PolarHBondContact O-OG1 3.19Å
57K47Very low46.8Very low123 Ų12388.9 Ų88.954%0.53543%0.431SS..Hα-helixtrans-48.1-45.6-179-175.8176.1179.6173.30114P55P55-K57 PolarHBondContact O-N 3.27Å
58Y46.6Very low47.4Very low185 Ų18582.4 Ų82.473%0.72541%0.412SS*.Hα-helixtrans-77.2-29178.3-89.8-84.3000113.1L56 S62L56-Y58 VanDerWaalsContact C-N 3.29Å; L56-Y58 PolarHBondContact O-N 2.99Å; L56-Y58 VanDerWaalsContact O-N 3.15Å; Y58-S62 WeakPolarHBondContact O-CB 3.35Å; Y58-S62 PolarHBondContact O-OG 2.76Å
59I54.8Low47.9Very low7 Ų785.9 Ų85.94%0.03643%0.43CS..Hα-helixtrans-75.7-43.1-177.4-67.9176.1000109.4M11 F15 P55 L56 E61 L63 L103 L108 M111M11-I59 HydrophobicContact CE-CG2 4.33Å; F15-I59 HydrophobicContact CZ-CD1 4.41Å; F15-I59 HydrophobicContact CZ-CG2 3.93Å; P55-I59 VanDerWaalsContact O-CD1 3.28Å; P55-I59 WeakPolarHBondContact O-CD1 3.31Å; P55-I59 WeakPolarHBondContact O-CG1 3.39Å; L56-I59 CarbonylContact O-C 3.5Å; L56-I59 WeakPolarHBondContact O-CA 3.33Å; L56-I59 WeakPolarHBondContact O-CB 3.32Å; L56-I59 PolarHBondContact O-N 2.88Å; I59-E61 PolarHBondContact O-N 2.91Å; I59-L63 HydrophobicContact CG2-CD1 3.21Å; I59-L63 HydrophobicContact CG2-CG 3.67Å; I59-L63 WeakPolarHBondContact O-CA 3.47Å; I59-L63 WeakPolarHBondContact O-CB 3.5Å; I59-L63 WeakPolarHBondContact O-CG 3Å; I59-L63 PolarHBondContact O-N 3.14Å; I59-L103 HydrophobicContact CD1-CD1 4.37Å; I59-L103 HydrophobicContact CG1-CD1 3.91Å; I59-L108 HydrophobicContact CD1-CD2 3.92Å; I59-M111 HydrophobicContact CD1-CE 3.14Å; I59-M111 HydrophobicContact CD1-SD 3.84Å
60T55.1Low48.8Very low10 Ų1082.1 Ų82.16%0.06141%0.414CS..Hα-helixtrans-62.6-48.5-172.6-36.60000114.1M11 I43 L56 R64M11-T60 HydrophobicContact CB-CG2 4Å; M11-T60 VanDerWaalsContact CE-CA 3.41Å; M11-T60 HydrophobicContact CE-CG2 3.46Å; M11-T60 VanDerWaalsContact CE-CG2 3.46Å; M11-T60 WeakPolarHBondContact CE-OG1 3.48Å; M11-T60 HydrophobicContact CG-CG2 4.31Å; M11-T60 HydrophobicContact SD-CG2 3.4Å; M11-T60 WeakPolarHBondContact SD-CG2 2.96Å; I43-T60 HydrophobicContact CB-CG2 4.25Å; I43-T60 HydrophobicContact CD1-CG2 3.67Å; I43-T60 HydrophobicContact CG1-CG2 3.58Å; I43-T60 HydrophobicContact CG2-CG2 3.96Å; L56-T60 PolarHBondContact O-N 3.08Å; L56-T60 PolarHBondContact O-OG1 3.19Å; T60-R64 VanDerWaalsContact O-CB 3.31Å; T60-R64 WeakPolarHBondContact O-CB 3.42Å; T60-R64 PolarHBondContact O-N 2.78Å
61E53.7Low50.3Low107 Ų10779.5 Ų79.550%0.539%0.391SS..Hα-helixtrans-73-40-179.1-74.6-175.1-169.600112.5I59 R65I59-E61 PolarHBondContact O-N 2.91Å; E61-R65 WeakPolarHBondContact O-CB 3.38Å; E61-R65 WeakPolarHBondContact O-CG 3.28Å; E61-R65 PolarHBondContact O-N 3Å; E61-R65 VanDerWaalsContact O-N 3.08Å; E61-R65 IonicContact OE2-NH2 3.76Å; E61-R65 PolarHBondContact OE2-NH2 3.5Å
62S52Low51.7Low61 Ų6171.1 Ų71.143%0.42736%0.355SS..Hα-helixtrans-65.9-42.5175.6-73.60000111.1Y58 R65 E66Y58-S62 WeakPolarHBondContact O-CB 3.35Å; Y58-S62 PolarHBondContact O-OG 2.76Å; S62-R65 PolarHBondContact O-N 2.93Å; S62-E66 WeakPolarHBondContact O-CB 3.26Å; S62-E66 PolarHBondContact O-N 2.03Å
63L54.8Low53Low1 Ų168.6 Ų68.61%0.00533%0.334CS..Hα-helixtrans-67.3-41.4179.5-72.6-175.4000112M11 V13 F15 I59 E66 Y67 V95 T100 L103M11-L63 HydrophobicContact CE-CD1 4.31Å; M11-L63 HydrophobicContact SD-CD1 4.49Å; V13-L63 HydrophobicContact CB-CD1 4.37Å; V13-L63 HydrophobicContact CG1-CD1 3.71Å; V13-L63 HydrophobicContact CG2-CD1 3.74Å; F15-L63 HydrophobicContact CZ-CD1 4.33Å; I59-L63 HydrophobicContact CG2-CD1 3.21Å; I59-L63 HydrophobicContact CG2-CG 3.67Å; I59-L63 WeakPolarHBondContact O-CA 3.47Å; I59-L63 WeakPolarHBondContact O-CB 3.5Å; I59-L63 WeakPolarHBondContact O-CG 3Å; I59-L63 PolarHBondContact O-N 3.14Å; L63-E66 PolarHBondContact O-N 3.45Å; L63-Y67 HydrophobicContact CB-CD2 4.39Å; L63-Y67 HydrophobicContact CD2-CD2 3.51Å; L63-Y67 HydrophobicContact CD2-CE2 3.78Å; L63-Y67 CarbonylContact O-C 3.47Å; L63-Y67 WeakPolarHBondContact O-CA 3.22Å; L63-Y67 WeakPolarHBondContact O-CB 3.43Å; L63-Y67 PolarHBondContact O-N 2.91Å; L63-V95 HydrophobicContact CD1-CG2 3.62Å; L63-V95 HydrophobicContact CD2-CB 4.25Å; L63-V95 HydrophobicContact CD2-CG1 3.66Å; L63-V95 HydrophobicContact CD2-CG2 3.51Å; L63-V95 HydrophobicContact CG-CG2 4.16Å; L63-T100 HydrophobicContact CD2-CG2 4.29Å; L63-L103 HydrophobicContact CD2-CD2 3.83Å
64R59.3Low54.1Low84 Ų8465.8 Ų65.832%0.31732%0.321SS..Hα-helixtrans-68-37.6179-161.8178.7-163.5148.45.2112.4T60 G68 E91T60-R64 VanDerWaalsContact O-CB 3.31Å; T60-R64 WeakPolarHBondContact O-CB 3.42Å; T60-R64 PolarHBondContact O-N 2.78Å; R64-G68 PolarHBondContact O-N 3.2Å; R64-E91 IonicContact CZ-OE1 3.7Å; R64-E91 IonicContact CZ-OE2 3.62Å; R64-E91 IonicContact NE-OE2 2.92Å; R64-E91 PolarHBondContact NE-OE2 3.08Å; R64-E91 IonicContact NH1-OE2 2.68Å; R64-E91 PolarHBondContact NH1-OE2 3.04Å; R64-E91 IonicContact NH2-OE1 2.82Å; R64-E91 PolarHBondContact NH2-OE1 3.17Å; R64-E91 IonicContact NH2-OE2 2.71Å; R64-E91 PolarHBondContact NH2-OE2 3.29Å
65R54Low55.5Low173 Ų17359.9 Ų59.965%0.65330%0.295SS*.Hα-helixtrans-69.7-35.2175.2-77.3-176.9-149.6154.314.7113.1E61 S62E61-R65 WeakPolarHBondContact O-CB 3.38Å; E61-R65 WeakPolarHBondContact O-CG 3.28Å; E61-R65 PolarHBondContact O-N 3Å; E61-R65 VanDerWaalsContact O-N 3.08Å; E61-R65 IonicContact OE2-NH2 3.76Å; E61-R65 PolarHBondContact OE2-NH2 3.5Å; S62-R65 PolarHBondContact O-N 2.93Å
66E52.9Low56.6Low125 Ų12560.6 Ų60.658%0.58430%0.297SS*.Hα-helixtrans-101.1-21.7-168.9-158.1177.6-142.500112.9S62 L63S62-E66 WeakPolarHBondContact O-CB 3.26Å; S62-E66 PolarHBondContact O-N 2.03Å; L63-E66 PolarHBondContact O-N 3.45Å
67Y54.9Low57.4Low5 Ų560.2 Ų60.22%0.0230%0.295CS..Hα-helixtrans-136.128-174.3-50.8-74.5000113.9L63 D69 D70 K99 T100L63-Y67 HydrophobicContact CB-CD2 4.39Å; L63-Y67 HydrophobicContact CD2-CD2 3.51Å; L63-Y67 HydrophobicContact CD2-CE2 3.78Å; L63-Y67 CarbonylContact O-C 3.47Å; L63-Y67 WeakPolarHBondContact O-CA 3.22Å; L63-Y67 WeakPolarHBondContact O-CB 3.43Å; L63-Y67 PolarHBondContact O-N 2.91Å; Y67-D69 PolarHBondContact O-N 2.99Å; Y67-D69 VanDerWaalsContact O-N 3.08Å; Y67-D70 WeakPolarHBondContact CD1-OD2 2.93Å; Y67-D70 PolarHBondContact O-N 3.24Å; Y67-K99 HydrophobicContact CD1-CD 4.31Å; Y67-K99 HydrophobicContact CE1-CB 3.63Å; Y67-K99 HydrophobicContact CE1-CD 3.78Å; Y67-K99 HydrophobicContact CE1-CG 4.4Å; Y67-T100 HydrophobicContact CD2-CG2 4.14Å; Y67-T100 HydrophobicContact CE1-CG2 4.04Å; Y67-T100 HydrophobicContact CE2-CG2 3.11Å; Y67-T100 WeakPolarHBondContact OH-CG2 3.25Å
68G53.9Low58.2Low40 Ų4056.7 Ų56.741%0.41229%0.285SS..G310 helixtrans-50.5-31.7171.300000113.1R64 D70R64-G68 PolarHBondContact O-N 3.2Å; G68-D70 VanDerWaalsContact C-N 3.34Å; G68-D70 PolarHBondContact O-N 3.36Å
69D51Low59.2Low160 Ų16049.4 Ų49.486%0.85626%0.261SS*.G310 helixtrans-74.9-13.5176.5-64.5-25.4000115Y67Y67-D69 PolarHBondContact O-N 2.99Å; Y67-D69 VanDerWaalsContact O-N 3.08Å
70D58.8Low60Low34 Ų3455.1 Ų55.118%0.18230%0.301CS..G310 helixtrans-103.922.8179.8-61.9-50.9000111.4Y67 G68 L72 L94 K99Y67-D70 WeakPolarHBondContact CD1-OD2 2.93Å; Y67-D70 PolarHBondContact O-N 3.24Å; G68-D70 VanDerWaalsContact C-N 3.34Å; G68-D70 PolarHBondContact O-N 3.36Å; D70-L72 PolarHBondContact O-N 2.92Å; D70-L94 WeakPolarHBondContact CB-O 3.39Å; D70-L94 PolarHBondContact O-N 2.81Å; D70-K99 IonicContact OD2-NZ 3.93Å
71K62.5Low60.8Low59 Ų5957.8 Ų57.826%0.25732%0.315SS..EExtended strand (participates in β ladder)trans-64119.9169.8-173.7172.9178.6170.10109.3E91 M92 F93K71-E91 IonicContact NZ-OE1 3.95Å; K71-E91 PolarHBondContact NZ-OE1 2.89Å; K71-M92 CarbonylContact C-O 3.53Å; K71-M92 WeakPolarHBondContact CA-O 3.11Å; K71-F93 HydrophobicContact CB-CD1 4.16Å; K71-F93 HydrophobicContact CB-CE1 3.89Å; K71-F93 HydrophobicContact CG-CE1 4.23Å
72L60Low61.7Low12 Ų1254.4 Ų54.46%0.06330%0.299CS..EExtended strand (participates in β ladder)trans-78-41.7178.4-71.6175.1000111.4D70 M92 L94 I134D70-L72 PolarHBondContact O-N 2.92Å; L72-M92 HydrophobicContact CB-CB 4.11Å; L72-M92 PolarHBondContact N-O 3.47Å; L72-L94 HydrophobicContact CD1-CB 3.96Å; L72-L94 HydrophobicContact CD2-CB 3.89Å; L72-L94 HydrophobicContact CD2-CD1 4.41Å; L72-L94 HydrophobicContact CG-CB 3.89Å; L72-I134 HydrophobicContact CD1-CD1 4.18Å; L72-I134 HydrophobicContact CD1-CG1 4.48Å
73A64.5Low63Low0 Ų055.3 Ų55.30%030%0.302CS..EExtended strand (participates in β ladder)trans-164.8158.4-178.200000109M92 I138 V150A73-M92 HydrophobicContact CB-SD 4.28Å; A73-M92 PolarHBondContact O-N 3.06Å; A73-I138 HydrophobicContact CB-CD1 3.92Å; A73-I138 HydrophobicContact CB-CG1 4.23Å; A73-V150 HydrophobicContact CB-CG1 3.97Å
74G64.7Low64.1Low10 Ų1062.5 Ų62.510%0.10334%0.341CS..EExtended strand (participates in β ladder)trans-159.4161.4162.300000112.3L90 F151G74-L90 CarbonylContact C-O 3.57Å; G74-L90 WeakPolarHBondContact CA-O 3.36Å; G74-F151 PolarHBondContact N-O 3.37Å; G74-F151 PolarHBondContact O-N 2.94Å
75G68.9Low65.1Low19 Ų1964.4 Ų64.420%0.19635%0.353CS..EExtended strand (participates in β ladder)trans156.9-175.217700000113.2L90 S149G75-L90 PolarHBondContact N-O 3.44Å; G75-L90 PolarHBondContact O-N 3.26Å; G75-S149 VanDerWaalsContact CA-O 3.26Å; G75-S149 WeakPolarHBondContact CA-O 3.5Å
76N69.3Low66.4Low46 Ų4656.5 Ų56.525%0.24632%0.324CS..EExtended strand (participates in β ladder)trans-69.6134.5176.5-65.2-24.1000109.3V88 E89 Y148 S149 V150N76-V88 WeakPolarHBondContact CA-O 3.18Å; N76-E89 WeakPolarHBondContact OD1-CG 3.29Å; N76-Y148 HydrophobicContact CB-CD1 3.79Å; N76-S149 PolarHBondContact N-O 3.25Å; N76-V150 WeakPolarHBondContact O-CG2 3.43Å
77V66.3Low67.9Low4 Ų454.9 Ų54.92%0.02431%0.313CS..EExtended strand (participates in β ladder)trans-124.7127.6179.8-162.10000109.8S79 V88 L90 R141 V150V77-S79 PolarHBondContact O-N 2.91Å; V77-V88 PolarHBondContact N-O 2.78Å; V77-L90 HydrophobicContact CB-CB 4.44Å; V77-L90 HydrophobicContact CG2-CB 3.17Å; V77-L90 HydrophobicContact CG2-CD2 4.13Å; V77-L90 HydrophobicContact CG2-CG 4.27Å; V77-R141 HydrophobicContact CG1-CB 3.83Å; V77-R141 VanDerWaalsContact CG1-CD 3.42Å; V77-R141 HydrophobicContact CG1-CG 3.52Å; V77-V150 HydrophobicContact CG2-CG2 4.39Å
78P63.5Low68.9Low49 Ų4954.8 Ų54.832%0.31831%0.313SS..  trans-54.8131.417421.9-32.7000110.6R141 Y148P78-R141 WeakPolarHBondContact CD-O 3.16Å; P78-Y148 HydrophobicContact CB-CE1 4.48Å
79S68.3Low70Confident32 Ų3255.1 Ų55.122%0.22430%0.304CS..  trans-137.2139.7173.61690000109.4V77 L81 E82V77-S79 PolarHBondContact O-N 2.91Å; S79-L81 PolarHBondContact O-N 3.04Å; S79-L81 PolarHBondContact OG-N 3.09Å; S79-E82 PolarHBondContact N-OE2 2.81Å; S79-E82 WeakPolarHBondContact O-CB 3.31Å; S79-E82 VanDerWaalsContact O-CG 3.29Å; S79-E82 WeakPolarHBondContact O-CG 3.48Å; S79-E82 PolarHBondContact O-N 2.97Å
80S71.8Confident71.1Confident126 Ų12647.7 Ų47.788%0.88126%0.264SS*.THydrogen-bonded Turntrans-61.5-8.2173.758.30000113.6
81L70.9Confident71.7Confident66 Ų6647.1 Ų47.135%0.34626%0.26SS..THydrogen-bonded Turntrans-96.5-4178.5-55.9177.4000113.2L2 S79L2-L81 WeakPolarHBondContact CD1-O 3.27Å; L2-L81 HydrophobicContact CD2-CB 3.91Å; L2-L81 HydrophobicContact CD2-CD1 4.38Å; L2-L81 HydrophobicContact CG-CB 3.78Å; L2-L81 WeakPolarHBondContact CG-O 3.36Å; S79-L81 PolarHBondContact O-N 3.04Å; S79-L81 PolarHBondContact OG-N 3.09Å
82E74.2Confident72.1Confident36 Ų3644.5 Ų44.517%0.16825%0.249CC..  trans-70.2154-179.7-59.4-170.8139.300112.5L2 S79 A86 W87 V88 Y148L2-E82 HydrophobicContact CD1-CG 4.31Å; S79-E82 PolarHBondContact N-OE2 2.81Å; S79-E82 WeakPolarHBondContact O-CB 3.31Å; S79-E82 VanDerWaalsContact O-CG 3.29Å; S79-E82 WeakPolarHBondContact O-CG 3.48Å; S79-E82 PolarHBondContact O-N 2.97Å; E82-A86 CarbonylContact C-O 3.5Å; E82-A86 WeakPolarHBondContact CA-O 3.16Å; E82-A86 WeakPolarHBondContact CB-O 3.34Å; E82-W87 HydrophobicContact CG-CB 4.38Å; E82-W87 WeakPolarHBondContact OE1-CA 3.24Å; E82-W87 WeakPolarHBondContact OE1-CB 3.32Å; E82-V88 HydrophobicContact CG-CG2 4.46Å; E82-V88 PolarHBondContact OE1-N 3.43Å; E82-Y148 WeakPolarHBondContact OE2-CE1 3.28Å; E82-Y148 PolarHBondContact OE2-OH 3.41Å
83T78.9Confident72.6Confident80 Ų8044 Ų4449%0.49125%0.246SC..BIsolated β-bridgetrans-140167.5172.366.70000108.1H85 A86T83-H85 PolarHBondContact O-N 2.99Å; T83-H85 PolarHBondContact OG1-N 2.93Å; T83-A86 PolarHBondContact N-O 3.23Å; T83-A86 CarbonylContact O-C 3.53Å; T83-A86 PolarHBondContact O-N 3.46Å; T83-A86 WeakPolarHBondContact OG1-CB 3.38Å; T83-A86 PolarHBondContact OG1-N 3.15Å
84D77.6Confident72.9Confident152 Ų15246 Ų4681%0.81326%0.257SS*.THydrogen-bonded Turntrans-53.6-18174-59.1-15.3000113.8
85H81.1Confident73.4Confident125 Ų12545.6 Ų45.658%0.57925%0.252SS*.THydrogen-bonded Turntrans-120.59-178.4-55.8-44000113.5Y5 G6 T83Y5-H85 CarbonylContact C-O 3.58Å; Y5-H85 VanDerWaalsContact CA-O 3.31Å; Y5-H85 WeakPolarHBondContact CA-O 3.46Å; Y5-H85 HydrophobicContact CD1-CB 3.76Å; Y5-H85 HydrophobicContact CE1-CB 4.22Å; G6-H85 PolarHBondContact N-O 3.35Å; T83-H85 PolarHBondContact O-N 2.99Å; T83-H85 PolarHBondContact OG1-N 2.93Å
86A81.3Confident73.8Confident6 Ų646.1 Ų46.15%0.0525%0.252CS..EExtended strand (participates in β ladder)trans-155.9120.6177.300000110.8L2 R4 G6 E82 T83L2-A86 HydrophobicContact CB-CB 4.27Å; L2-A86 HydrophobicContact CD1-CB 3.95Å; L2-A86 WeakPolarHBondContact CD1-O 3.43Å; R4-A86 WeakPolarHBondContact O-CB 3.5Å; G6-A86 WeakPolarHBondContact O-CA 3.22Å; E82-A86 CarbonylContact C-O 3.5Å; E82-A86 WeakPolarHBondContact CA-O 3.16Å; E82-A86 WeakPolarHBondContact CB-O 3.34Å; T83-A86 PolarHBondContact N-O 3.23Å; T83-A86 CarbonylContact O-C 3.53Å; T83-A86 PolarHBondContact O-N 3.46Å; T83-A86 WeakPolarHBondContact OG1-CB 3.38Å; T83-A86 PolarHBondContact OG1-N 3.15Å
87W83.5Confident74.3Confident92 Ų9244 Ų4435%0.34824%0.241SC..EExtended strand (participates in β ladder)trans-129.9167.8179.957.694.2000111.2G6 P7 N8 E82G6-W87 PolarHBondContact O-N 2.89Å; G6-W87 VanDerWaalsContact O-N 3.09Å; P7-W87 HydrophobicContact CB-CZ2 4.44Å; N8-W87 WeakPolarHBondContact CB-O 3.35Å; N8-W87 PolarHBondContact N-O 2.98Å; N8-W87 PolarHBondContact ND2-O 2.67Å; E82-W87 HydrophobicContact CG-CB 4.38Å; E82-W87 WeakPolarHBondContact OE1-CA 3.24Å; E82-W87 WeakPolarHBondContact OE1-CB 3.32Å
88V76.2Confident74.7Confident2 Ų251.3 Ų51.31%0.01227%0.272CS..EExtended strand (participates in β ladder)trans-102.1125.9178.6177.20000110.4L2 N8 M10 N76 V77 E82L2-V88 HydrophobicContact CD1-CG2 3.96Å; L2-V88 HydrophobicContact CD2-CG2 3.51Å; L2-V88 HydrophobicContact CG-CG2 4.38Å; N8-V88 WeakPolarHBondContact O-CA 3.45Å; M10-V88 HydrophobicContact CB-CG1 4.31Å; M10-V88 HydrophobicContact CE-CG1 3.92Å; M10-V88 HydrophobicContact CE-CG2 4.29Å; M10-V88 HydrophobicContact CG-CG1 3.82Å; M10-V88 HydrophobicContact SD-CG1 3.67Å; N76-V88 WeakPolarHBondContact CA-O 3.18Å; V77-V88 PolarHBondContact N-O 2.78Å; E82-V88 HydrophobicContact CG-CG2 4.46Å; E82-V88 PolarHBondContact OE1-N 3.43Å
89E77.5Confident74.9Confident47 Ų4754.8 Ų54.822%0.2228%0.282CS..EExtended strand (participates in β ladder)trans-103.8115.9168.7-79178.8-175.700108.7P7 N8 R9 M10 N76P7-E89 HydrophobicContact CB-CG 3.93Å; P7-E89 VanDerWaalsContact CB-OE1 3.29Å; P7-E89 WeakPolarHBondContact CB-OE1 3.49Å; N8-E89 PolarHBondContact O-N 3.28Å; R9-E89 CarbonylContact C-O 3.55Å; R9-E89 VanDerWaalsContact CA-O 3.27Å; R9-E89 WeakPolarHBondContact CA-O 3.4Å; R9-E89 HydrophobicContact CG-CB 4.06Å; R9-E89 WeakPolarHBondContact CG-OE2 3.28Å; R9-E89 IonicContact CZ-OE2 3.05Å; R9-E89 IonicContact NE-OE2 3.95Å; R9-E89 PolarHBondContact NE-OE2 3.42Å; R9-E89 VanDerWaalsContact NE-OE2 3.1Å; R9-E89 IonicContact NH2-OE2 3.35Å; M10-E89 PolarHBondContact N-O 3.11Å; N76-E89 WeakPolarHBondContact OD1-CG 3.29Å
90L73Confident74.9Confident4 Ų453.4 Ų53.42%0.02127%0.273CS..EExtended strand (participates in β ladder)trans-97.3137174.8-17677000110.5M10 T40 G74 G75 V77 M92M10-L90 HydrophobicContact CB-CD1 3.63Å; M10-L90 CarbonylContact O-C 3.5Å; M10-L90 WeakPolarHBondContact O-CA 3.21Å; T40-L90 HydrophobicContact CG2-CD1 4.28Å; G74-L90 CarbonylContact C-O 3.57Å; G74-L90 WeakPolarHBondContact CA-O 3.36Å; G75-L90 PolarHBondContact N-O 3.44Å; G75-L90 PolarHBondContact O-N 3.26Å; V77-L90 HydrophobicContact CB-CB 4.44Å; V77-L90 HydrophobicContact CG2-CB 3.17Å; V77-L90 HydrophobicContact CG2-CD2 4.13Å; V77-L90 HydrophobicContact CG2-CG 4.27Å; L90-M92 HydrophobicContact CD2-CG 3.57Å; L90-M92 HydrophobicContact CD2-SD 3.83Å; L90-M92 HydrophobicContact CG-CG 4.02Å
91E72.5Confident74.9Confident23 Ų2354.2 Ų54.211%0.10726%0.26CS..EExtended strand (participates in β ladder)trans-118.2130.8162.7-62.1-173.7133.500109.9M10 M11 S12 R64 K71 F93M10-E91 PolarHBondContact O-N 2.77Å; M11-E91 CarbonylContact C-O 3.47Å; M11-E91 WeakPolarHBondContact CA-O 3.42Å; S12-E91 PolarHBondContact N-O 3.16Å; R64-E91 IonicContact CZ-OE1 3.7Å; R64-E91 IonicContact CZ-OE2 3.62Å; R64-E91 IonicContact NE-OE2 2.92Å; R64-E91 PolarHBondContact NE-OE2 3.08Å; R64-E91 IonicContact NH1-OE2 2.68Å; R64-E91 PolarHBondContact NH1-OE2 3.04Å; R64-E91 IonicContact NH2-OE1 2.82Å; R64-E91 PolarHBondContact NH2-OE1 3.17Å; R64-E91 IonicContact NH2-OE2 2.71Å; R64-E91 PolarHBondContact NH2-OE2 3.29Å; K71-E91 IonicContact NZ-OE1 3.95Å; K71-E91 PolarHBondContact NZ-OE1 2.89Å; E91-F93 HydrophobicContact CB-CD2 4.33Å; E91-F93 HydrophobicContact CB-CE2 3.44Å; E91-F93 VanDerWaalsContact CB-CE2 3.44Å; E91-F93 HydrophobicContact CB-CZ 3.9Å
92M70Confident75Confident3 Ų359.4 Ų59.42%0.01528%0.28CS..EExtended strand (participates in β ladder)trans-109.1133.3179.4-60.717766.700109.7S12 F38 K71 L72 A73 L90 L137 I138S12-M92 CarbonylContact O-C 3.52Å; S12-M92 VanDerWaalsContact O-CA 3.28Å; S12-M92 WeakPolarHBondContact O-CA 3.33Å; F38-M92 HydrophobicContact CD1-CE 4.02Å; F38-M92 HydrophobicContact CE1-CE 3.16Å; F38-M92 HydrophobicContact CE2-CE 4.32Å; F38-M92 HydrophobicContact CZ-CE 3.32Å; K71-M92 CarbonylContact C-O 3.53Å; K71-M92 WeakPolarHBondContact CA-O 3.11Å; L72-M92 HydrophobicContact CB-CB 4.11Å; L72-M92 PolarHBondContact N-O 3.47Å; A73-M92 HydrophobicContact CB-SD 4.28Å; A73-M92 PolarHBondContact O-N 3.06Å; L90-M92 HydrophobicContact CD2-CG 3.57Å; L90-M92 HydrophobicContact CD2-SD 3.83Å; L90-M92 HydrophobicContact CG-CG 4.02Å; M92-L137 HydrophobicContact CE-CB 4.45Å; M92-L137 HydrophobicContact CE-CD2 3.28Å; M92-L137 HydrophobicContact CE-CG 4.45Å; M92-L137 HydrophobicContact SD-CD2 3.99Å; M92-I138 HydrophobicContact SD-CG1 4.32Å
93F70.1Confident74.9Confident3 Ų359.5 Ų59.51%0.01328%0.282CS..EExtended strand (participates in β ladder)trans-129.1142.6-178.1-63.1-88.6000111.7M11 S12 V13 I14 K71 E91M11-F93 HydrophobicContact CG-CD2 3.58Å; M11-F93 HydrophobicContact CG-CE2 3.72Å; M11-F93 HydrophobicContact SD-CD2 3.91Å; M11-F93 HydrophobicContact SD-CE2 4.02Å; S12-F93 PolarHBondContact O-N 3.39Å; V13-F93 WeakPolarHBondContact CA-O 3.18Å; I14-F93 PolarHBondContact N-O 2.82Å; K71-F93 HydrophobicContact CB-CD1 4.16Å; K71-F93 HydrophobicContact CB-CE1 3.89Å; K71-F93 HydrophobicContact CG-CE1 4.23Å; E91-F93 HydrophobicContact CB-CD2 4.33Å; E91-F93 HydrophobicContact CB-CE2 3.44Å; E91-F93 VanDerWaalsContact CB-CE2 3.44Å; E91-F93 HydrophobicContact CB-CZ 3.9Å
94L72Confident74.9Confident42 Ų4255.8 Ų55.822%0.2226%0.259CS..EExtended strand (participates in β ladder)trans-104.4121.1166.4-173.6141000108.9V16 D70 L72 P96V16-L94 HydrophobicContact CG2-CD1 4.09Å; V16-L94 HydrophobicContact CG2-CD2 4.27Å; V16-L94 HydrophobicContact CG2-CG 4.01Å; D70-L94 WeakPolarHBondContact CB-O 3.39Å; D70-L94 PolarHBondContact O-N 2.81Å; L72-L94 HydrophobicContact CD1-CB 3.96Å; L72-L94 HydrophobicContact CD2-CB 3.89Å; L72-L94 HydrophobicContact CD2-CD1 4.41Å; L72-L94 HydrophobicContact CG-CB 3.89Å; L94-P96 VanDerWaalsContact O-CD 3.28Å; L94-P96 WeakPolarHBondContact O-CD 3.48Å
95V75.4Confident74.8Confident0 Ų051.3 Ų51.30%024%0.237CC..EExtended strand (participates in β ladder)trans-108.8105.4-173.8178.60000110.5V13 I14 F15 V16 L63 C97 T100V13-V95 HydrophobicContact CG1-CB 4.14Å; V13-V95 HydrophobicContact CG1-CG2 3.36Å; I14-V95 PolarHBondContact O-N 2.86Å; F15-V95 HydrophobicContact CD1-CB 3.77Å; F15-V95 HydrophobicContact CD1-CG1 3.65Å; F15-V95 HydrophobicContact CE1-CB 3.97Å; F15-V95 HydrophobicContact CE1-CG1 3.68Å; F15-V95 HydrophobicContact CE1-CG2 4.34Å; F15-V95 HydrophobicContact CG-CB 4.47Å; V16-V95 PolarHBondContact N-O 3.41Å; L63-V95 HydrophobicContact CD1-CG2 3.62Å; L63-V95 HydrophobicContact CD2-CB 4.25Å; L63-V95 HydrophobicContact CD2-CG1 3.66Å; L63-V95 HydrophobicContact CD2-CG2 3.51Å; L63-V95 HydrophobicContact CG-CG2 4.16Å; V95-C97 PolarHBondContact O-N 3.4Å; V95-T100 HydrophobicContact CG1-CG2 3.55Å; V95-T100 WeakPolarHBondContact CG1-OG1 3.13Å
96P75.7Confident74.5Confident30 Ų3052.9 Ų52.920%0.19524%0.242CC..EExtended strand (participates in β ladder)trans-79.8116.2177.530.5-33000111.8V16 L94 K98 K99 T100V16-P96 CarbonylContact O-C 3.56Å; V16-P96 WeakPolarHBondContact O-CA 3.33Å; L94-P96 VanDerWaalsContact O-CD 3.28Å; L94-P96 WeakPolarHBondContact O-CD 3.48Å; P96-K98 PolarHBondContact O-N 3.34Å; P96-K99 HydrophobicContact CG-CD 4.25Å; P96-K99 PolarHBondContact O-N 3.12Å; P96-T100 PolarHBondContact O-N 2.99Å; P96-T100 PolarHBondContact O-OG1 2.98Å
97C79.8Confident73.9Confident2 Ų254.5 Ų54.51%0.01426%0.26CS..THydrogen-bonded Turntrans-61.3-13.6177.6-62.50000115.1V16 W17 V95 K99 T100 K101 C104 W119V16-C97 PolarHBondContact O-N 3.12Å; W17-C97 HydrophobicContact CB-CB 3.83Å; W17-C97 HydrophobicContact CD2-CB 3.76Å; W17-C97 HydrophobicContact CE3-CB 3.88Å; W17-C97 HydrophobicContact CG-CB 3.76Å; V95-C97 PolarHBondContact O-N 3.4Å; C97-K99 VanDerWaalsContact C-N 3.25Å; C97-K99 PolarHBondContact O-N 2.77Å; C97-T100 WeakPolarHBondContact CA-OG1 3.31Å; C97-T100 PolarHBondContact N-OG1 3.32Å; C97-T100 CarbonylContact O-C 3.58Å; C97-K101 VanDerWaalsContact O-CA 3.29Å; C97-K101 WeakPolarHBondContact O-CA 3.39Å; C97-K101 PolarHBondContact O-N 2.97Å; C97-K101 VanDerWaalsContact O-N 3.1Å; C97-C104 WeakPolarHBondContact CA-SG 3.2Å; C97-C104 HydrophobicContact CB-CB 3.52Å; C97-C104 WeakPolarHBondContact CB-SG 3.46Å; C97-C104 WeakPolarHBondContact SG-CB 3.13Å; C97-C104 CovalentContact SG-SG 2.03Å; C97-C104 PolarHBondContact SG-SG 3.36Å; C97-W119 WeakPolarHBondContact SG-CH2 3.49Å
98K74.6Confident73.6Confident157 Ų15750.1 Ų50.168%0.68324%0.244SC*.THydrogen-bonded Turntrans-62.1-35.1171.2-167.9175.7-176.1175.70111.9P96P96-K98 PolarHBondContact O-N 3.34Å
99K67.7Low73.5Confident122 Ų12252.2 Ų52.253%0.5326%0.261SS..THydrogen-bonded Turntrans-93-37.5175-63.6-179.8-178.3174.40111.4Y67 D70 P96 C97 K101Y67-K99 HydrophobicContact CD1-CD 4.31Å; Y67-K99 HydrophobicContact CE1-CB 3.63Å; Y67-K99 HydrophobicContact CE1-CD 3.78Å; Y67-K99 HydrophobicContact CE1-CG 4.4Å; D70-K99 IonicContact OD2-NZ 3.93Å; P96-K99 HydrophobicContact CG-CD 4.25Å; P96-K99 PolarHBondContact O-N 3.12Å; C97-K99 VanDerWaalsContact C-N 3.25Å; C97-K99 PolarHBondContact O-N 2.77Å; K99-K101 PolarHBondContact O-N 3.03Å
100T68.8Low73.2Confident4 Ų452.1 Ų52.13%0.02527%0.273CS..  trans-91.634.4179.943.30000114.6L63 Y67 V95 P96 C97 K102 L103 C104L63-T100 HydrophobicContact CD2-CG2 4.29Å; Y67-T100 HydrophobicContact CD2-CG2 4.14Å; Y67-T100 HydrophobicContact CE1-CG2 4.04Å; Y67-T100 HydrophobicContact CE2-CG2 3.11Å; Y67-T100 WeakPolarHBondContact OH-CG2 3.25Å; V95-T100 HydrophobicContact CG1-CG2 3.55Å; V95-T100 WeakPolarHBondContact CG1-OG1 3.13Å; P96-T100 PolarHBondContact O-N 2.99Å; P96-T100 PolarHBondContact O-OG1 2.98Å; C97-T100 WeakPolarHBondContact CA-OG1 3.31Å; C97-T100 PolarHBondContact N-OG1 3.32Å; C97-T100 CarbonylContact O-C 3.58Å; T100-K102 VanDerWaalsContact C-N 3.3Å; T100-K102 PolarHBondContact O-N 3.37Å; T100-K102 VanDerWaalsContact O-N 3.09Å; T100-L103 HydrophobicContact CG2-CD2 3.99Å; T100-L103 PolarHBondContact O-N 3.47Å; T100-C104 PolarHBondContact O-N 2.87Å; T100-C104 PolarHBondContact OG1-SG 3Å; T100-C104 VanDerWaalsContact OG1-SG 3.37Å
101K73.1Confident73.1Confident143 Ų14352 Ų5262%0.62227%0.272SS*.Hα-helixtrans-52.2-43.8-169.6-168.6178.5-178.6-1780113.3C97 K99 T105C97-K101 VanDerWaalsContact O-CA 3.29Å; C97-K101 WeakPolarHBondContact O-CA 3.39Å; C97-K101 PolarHBondContact O-N 2.97Å; C97-K101 VanDerWaalsContact O-N 3.1Å; K99-K101 PolarHBondContact O-N 3.03Å; K101-T105 VanDerWaalsContact O-CB 3.22Å; K101-T105 WeakPolarHBondContact O-CB 3.42Å; K101-T105 PolarHBondContact O-N 2.81Å; K101-T105 PolarHBondContact O-OG1 3.27Å
102K72Confident73.4Confident175 Ų17553 Ų5376%0.76128%0.277SS*.Hα-helixtrans-65.5-42.8177.6-72-174.5179.1-179.50113T100 T105 F106 G107T100-K102 VanDerWaalsContact C-N 3.3Å; T100-K102 PolarHBondContact O-N 3.37Å; T100-K102 VanDerWaalsContact O-N 3.09Å; K102-T105 PolarHBondContact O-N 3.18Å; K102-F106 WeakPolarHBondContact O-CB 3.19Å; K102-F106 PolarHBondContact O-N 3.43Å; K102-G107 PolarHBondContact O-N 3.41Å
103L72.5Confident73.7Confident38 Ų3859.7 Ų59.720%0.19931%0.312CS..Iπ-helixtrans-63.8-50.6177.5173.368.5000110.2F15 I59 L63 T100 T105 G107 L108F15-L103 HydrophobicContact CE1-CD2 3.78Å; F15-L103 HydrophobicContact CE1-CG 4.34Å; F15-L103 HydrophobicContact CZ-CD2 4.41Å; I59-L103 HydrophobicContact CD1-CD1 4.37Å; I59-L103 HydrophobicContact CG1-CD1 3.91Å; L63-L103 HydrophobicContact CD2-CD2 3.83Å; T100-L103 HydrophobicContact CG2-CD2 3.99Å; T100-L103 PolarHBondContact O-N 3.47Å; L103-T105 VanDerWaalsContact C-N 3.31Å; L103-T105 PolarHBondContact O-N 3.46Å; L103-G107 CarbonylContact O-C 3.58Å; L103-G107 VanDerWaalsContact O-CA 3.26Å; L103-G107 WeakPolarHBondContact O-CA 3.48Å; L103-G107 PolarHBondContact O-N 3.44Å; L103-L108 HydrophobicContact CD1-CD2 4.25Å; L103-L108 HydrophobicContact CG-CD2 4.28Å; L103-L108 WeakPolarHBondContact O-CG 3.22Å; L103-L108 PolarHBondContact O-N 3.49Å
104C78.5Confident73.7Confident1 Ų165.3 Ų65.31%0.00734%0.337CS..Iπ-helixtrans-67.2-28.2-179.8-64.70000114.3W17 C97 T100 L108 W119W17-C104 HydrophobicContact CE3-CB 3.84Å; W17-C104 HydrophobicContact CZ3-CB 3.76Å; C97-C104 WeakPolarHBondContact CA-SG 3.2Å; C97-C104 HydrophobicContact CB-CB 3.52Å; C97-C104 WeakPolarHBondContact CB-SG 3.46Å; C97-C104 WeakPolarHBondContact SG-CB 3.13Å; C97-C104 CovalentContact SG-SG 2.03Å; C97-C104 PolarHBondContact SG-SG 3.36Å; T100-C104 PolarHBondContact O-N 2.87Å; T100-C104 PolarHBondContact OG1-SG 3Å; T100-C104 VanDerWaalsContact OG1-SG 3.37Å; C104-L108 HydrophobicContact CB-CD1 4.27Å; C104-W119 HydrophobicContact CB-CZ2 4.12Å
105T76.6Confident73.8Confident59 Ų5967 Ų6736%0.36234%0.342SS..Iπ-helixtrans-84-38.9179.6-49.40000112.1W17 K101 K102 L103W17-T105 WeakPolarHBondContact CH2-OG1 3.37Å; K101-T105 VanDerWaalsContact O-CB 3.22Å; K101-T105 WeakPolarHBondContact O-CB 3.42Å; K101-T105 PolarHBondContact O-N 2.81Å; K101-T105 PolarHBondContact O-OG1 3.27Å; K102-T105 PolarHBondContact O-N 3.18Å; L103-T105 VanDerWaalsContact C-N 3.31Å; L103-T105 PolarHBondContact O-N 3.46Å
106F74.7Confident74.1Confident157 Ų15768.8 Ų68.869%0.68936%0.362SS*.Iπ-helixtrans-123-38.3-170.5-55.5-69.2000113.7K102 L108K102-F106 WeakPolarHBondContact O-CB 3.19Å; K102-F106 PolarHBondContact O-N 3.43Å; F106-L108 PolarHBondContact O-N 2.73Å
107G68.4Low74.5Confident41 Ų4167.9 Ų67.942%0.42336%0.355SS..Iπ-helixtrans-75.6-20-174.200000114.7K102 L103K102-G107 PolarHBondContact O-N 3.41Å; L103-G107 CarbonylContact O-C 3.58Å; L103-G107 VanDerWaalsContact O-CA 3.26Å; L103-G107 WeakPolarHBondContact O-CA 3.48Å; L103-G107 PolarHBondContact O-N 3.44Å
108L77.2Confident74.8Confident0 Ų073.6 Ų73.60%038%0.381CS..THydrogen-bonded Turntrans-87.5-10.8177.6-55.2-178.8000113.6F15 L26 I59 L103 C104 F106 G110 M111 Q112 W119F15-L108 HydrophobicContact CB-CD1 4.31Å; F15-L108 HydrophobicContact CD1-CD1 3.77Å; F15-L108 HydrophobicContact CD1-CD2 4.28Å; F15-L108 HydrophobicContact CD2-CD1 4.22Å; F15-L108 HydrophobicContact CD2-CD2 4.37Å; F15-L108 HydrophobicContact CE1-CD1 4.11Å; F15-L108 HydrophobicContact CE1-CD2 3.79Å; F15-L108 HydrophobicContact CE2-CD2 3.89Å; F15-L108 HydrophobicContact CG-CD1 3.83Å; F15-L108 HydrophobicContact CZ-CD1 4.47Å; F15-L108 HydrophobicContact CZ-CD2 3.57Å; L26-L108 HydrophobicContact CD2-CD1 3.73Å; I59-L108 HydrophobicContact CD1-CD2 3.92Å; L103-L108 HydrophobicContact CD1-CD2 4.25Å; L103-L108 HydrophobicContact CG-CD2 4.28Å; L103-L108 WeakPolarHBondContact O-CG 3.22Å; L103-L108 PolarHBondContact O-N 3.49Å; C104-L108 HydrophobicContact CB-CD1 4.27Å; F106-L108 PolarHBondContact O-N 2.73Å; L108-G110 VanDerWaalsContact C-N 3.31Å; L108-G110 PolarHBondContact O-N 2.8Å; L108-M111 HydrophobicContact CD2-CE 3.23Å; L108-M111 HydrophobicContact CG-CE 4.41Å; L108-M111 WeakPolarHBondContact O-CA 3.49Å; L108-M111 PolarHBondContact O-N 3.44Å; L108-Q112 HydrophobicContact CB-CG 4.38Å; L108-Q112 WeakPolarHBondContact O-CG 3.44Å; L108-Q112 PolarHBondContact O-N 3.1Å; L108-W119 HydrophobicContact CD1-CZ2 4.06Å
109A73.4Confident75.4Confident45 Ų4568.9 Ų68.937%0.37236%0.36SS..Hα-helixtrans-53.1-45.9-172.900000112.8M111 Q112 D113A109-M111 VanDerWaalsContact C-N 3.33Å; A109-M111 PolarHBondContact O-N 3.31Å; A109-Q112 PolarHBondContact O-N 3.2Å; A109-D113 PolarHBondContact O-N 3.23Å
110G71.2Confident76.4Confident46 Ų4664.6 Ų64.647%0.47434%0.341SS..Hα-helixtrans-64.8-31.9177.400000114.3L108 K114L108-G110 VanDerWaalsContact C-N 3.31Å; L108-G110 PolarHBondContact O-N 2.8Å; G110-K114 WeakPolarHBondContact O-CB 3.39Å; G110-K114 PolarHBondContact O-N 3.47Å
111M71.2Confident77Confident1 Ų169.1 Ų69.11%0.00536%0.362CS..Hα-helixtrans-76.2-37.3174.1-70.3-163.3-60.600112.1F15 I39 P55 I59 L108 A109 D113 K114 F115 L117F15-M111 HydrophobicContact CE2-CE 4.22Å; I39-M111 HydrophobicContact CD1-CE 4.08Å; I39-M111 HydrophobicContact CD1-SD 4.38Å; I39-M111 HydrophobicContact CG2-SD 4.08Å; P55-M111 HydrophobicContact CB-CG 3.18Å; P55-M111 HydrophobicContact CB-SD 3.68Å; P55-M111 HydrophobicContact CG-CG 3.71Å; I59-M111 HydrophobicContact CD1-CE 3.14Å; I59-M111 HydrophobicContact CD1-SD 3.84Å; L108-M111 HydrophobicContact CD2-CE 3.23Å; L108-M111 HydrophobicContact CG-CE 4.41Å; L108-M111 WeakPolarHBondContact O-CA 3.49Å; L108-M111 PolarHBondContact O-N 3.44Å; A109-M111 VanDerWaalsContact C-N 3.33Å; A109-M111 PolarHBondContact O-N 3.31Å; M111-D113 VanDerWaalsContact C-N 3.31Å; M111-K114 PolarHBondContact O-N 3.16Å; M111-F115 HydrophobicContact CB-CD2 4.07Å; M111-F115 HydrophobicContact CG-CD2 4.32Å; M111-F115 HydrophobicContact CG-CE2 4.28Å; M111-F115 WeakPolarHBondContact O-CB 3.49Å; M111-F115 WeakPolarHBondContact O-CD2 3.42Å; M111-F115 PolarHBondContact O-N 3.38Å; M111-L117 HydrophobicContact CB-CD1 4.41Å
112Q79.3Confident77Confident45 Ų4563.3 Ų63.321%0.2134%0.337CS..Hα-helixtrans-59.3-46.6175.2-68.1-170.2-102.700110.7L26 L108 A109 G116 L117L26-Q112 HydrophobicContact CD1-CG 4.06Å; L108-Q112 HydrophobicContact CB-CG 4.38Å; L108-Q112 WeakPolarHBondContact O-CG 3.44Å; L108-Q112 PolarHBondContact O-N 3.1Å; A109-Q112 PolarHBondContact O-N 3.2Å; Q112-G116 CarbonylContact O-C 3.46Å; Q112-G116 WeakPolarHBondContact O-CA 3.5Å; Q112-G116 PolarHBondContact O-N 2.76Å; Q112-L117 WeakPolarHBondContact CB-O 3.4Å; Q112-L117 HydrophobicContact CG-CB 4.32Å; Q112-L117 WeakPolarHBondContact CG-O 3.43Å; Q112-L117 PolarHBondContact NE2-O 3.46Å; Q112-L117 VanDerWaalsContact NE2-O 3.14Å; Q112-L117 PolarHBondContact O-N 2.71Å
113D75.1Confident76.9Confident142 Ų14263.4 Ų63.476%0.75933%0.333SS*.Hα-helixtrans-67.2-46.3177.4-69.5-11.1000111.9A109 M111A109-D113 PolarHBondContact O-N 3.23Å; M111-D113 VanDerWaalsContact C-N 3.31Å
114K71.8Confident76.2Confident122 Ų12266.5 Ų66.553%0.5336%0.358SS..Hα-helixtrans-68.8-41.9-176.2-174.6174.8-175.9178.10113.5D53 G110 M111D53-K114 IonicContact OD1-NZ 2.73Å; D53-K114 PolarHBondContact OD1-NZ 2.98Å; G110-K114 WeakPolarHBondContact O-CB 3.39Å; G110-K114 PolarHBondContact O-N 3.47Å; M111-K114 PolarHBondContact O-N 3.16Å
115F73.9Confident75.2Confident76 Ų7673.2 Ų73.233%0.33339%0.389SS..Hα-helixtrans-104.51.2-173.1-60.6-71.1000113.1M111 L117M111-F115 HydrophobicContact CB-CD2 4.07Å; M111-F115 HydrophobicContact CG-CD2 4.32Å; M111-F115 HydrophobicContact CG-CE2 4.28Å; M111-F115 WeakPolarHBondContact O-CB 3.49Å; M111-F115 WeakPolarHBondContact O-CD2 3.42Å; M111-F115 PolarHBondContact O-N 3.38Å; F115-L117 VanDerWaalsContact C-N 3.33Å; F115-L117 HydrophobicContact CB-CD1 4.01Å; F115-L117 HydrophobicContact CB-CD2 4.39Å; F115-L117 HydrophobicContact CB-CG 3.8Å
116G80.9Confident74.5Confident39 Ų3972.6 Ų72.640%0.40238%0.384SS..THydrogen-bonded Turntrans64.636.2-177.500000112.6Q112Q112-G116 CarbonylContact O-C 3.46Å; Q112-G116 WeakPolarHBondContact O-CA 3.5Å; Q112-G116 PolarHBondContact O-N 2.76Å
117L84.2Confident73.7Confident11 Ų1169.5 Ų69.56%0.05837%0.371CS..  trans-87.2130.5-176.1-56.6168.6000111.4L26 K28 I39 M111 Q112 F115L26-L117 HydrophobicContact CD1-CB 3.77Å; L26-L117 HydrophobicContact CD2-CB 4.34Å; L26-L117 HydrophobicContact CD2-CD1 4.21Å; L26-L117 HydrophobicContact CG-CB 3.85Å; L26-L117 HydrophobicContact CG-CD1 4.34Å; K28-L117 HydrophobicContact CB-CD2 4.41Å; I39-L117 HydrophobicContact CD1-CD1 3.61Å; I39-L117 HydrophobicContact CG1-CD1 4.14Å; M111-L117 HydrophobicContact CB-CD1 4.41Å; Q112-L117 WeakPolarHBondContact CB-O 3.4Å; Q112-L117 HydrophobicContact CG-CB 4.32Å; Q112-L117 WeakPolarHBondContact CG-O 3.43Å; Q112-L117 PolarHBondContact NE2-O 3.46Å; Q112-L117 VanDerWaalsContact NE2-O 3.14Å; Q112-L117 PolarHBondContact O-N 2.71Å; F115-L117 VanDerWaalsContact C-N 3.33Å; F115-L117 HydrophobicContact CB-CD1 4.01Å; F115-L117 HydrophobicContact CB-CD2 4.39Å; F115-L117 HydrophobicContact CB-CG 3.8Å
118Q86.2Confident73.5Confident121 Ų12174.2 Ų74.257%0.56538%0.382SS*.EExtended strand (participates in β ladder)trans-128.3151.6178.3-64.3-173.5-26.500111K27 H120K27-Q118 PolarHBondContact N-O 2.82Å; K27-Q118 VanDerWaalsContact N-O 3.08Å; K27-Q118 PolarHBondContact O-N 2.89Å; K27-Q118 VanDerWaalsContact O-O 3.07Å; Q118-H120 PolarHBondContact O-CD2 2.82Å; Q118-H120 VanDerWaalsContact O-CD2 3.25Å; Q118-H120 PolarHBondContact O-N 3.1Å
119W87.7Confident72.8Confident59 Ų5975.5 Ų75.522%0.22339%0.392CS..EExtended strand (participates in β ladder)trans-72.5118.5173.3-70.9105.3000109.5F15 W17 L24 L26 C97 C104 L108F15-W119 HydrophobicContact CB-CH2 3.83Å; F15-W119 HydrophobicContact CB-CZ3 4.42Å; W17-W119 HydrophobicContact CB-CE3 3.98Å; W17-W119 HydrophobicContact CB-CH2 3.95Å; W17-W119 HydrophobicContact CB-CZ3 3.62Å; W17-W119 HydrophobicContact CE3-CD2 4.47Å; W17-W119 AromaticContact CE3-CE2 3.86Å; W17-W119 HydrophobicContact CE3-CH2 4.15Å; W17-W119 AromaticContact CE3-CZ2 3.69Å; W17-W119 HydrophobicContact CE3-CZ2 3.69Å; W17-W119 HydrophobicContact CZ3-CZ2 4.35Å; L24-W119 HydrophobicContact CB-CB 4.34Å; L24-W119 HydrophobicContact CB-CD2 4.46Å; L24-W119 HydrophobicContact CB-CE3 3.71Å; L24-W119 HydrophobicContact CB-CZ3 4.46Å; L24-W119 HydrophobicContact CD1-CB 4.35Å; L26-W119 HydrophobicContact CB-CD2 4.49Å; L26-W119 HydrophobicContact CB-CE3 4.16Å; L26-W119 HydrophobicContact CB-CH2 4.07Å; L26-W119 HydrophobicContact CB-CZ2 4.41Å; L26-W119 HydrophobicContact CB-CZ3 3.94Å; L26-W119 HydrophobicContact CD1-CD2 4.23Å; L26-W119 HydrophobicContact CD1-CG 4.44Å; C97-W119 WeakPolarHBondContact SG-CH2 3.49Å; C104-W119 HydrophobicContact CB-CZ2 4.12Å; L108-W119 HydrophobicContact CD1-CZ2 4.06Å
120H87.3Confident72.3Confident32 Ų3273.7 Ų73.715%0.14838%0.377CS..EExtended strand (participates in β ladder)trans-117.9136.7177.5-69.8-67.1000110.7L24 I25 K27 S29 A30 Q118 M122L24-H120 CarbonylContact C-O 3.53Å; L24-H120 VanDerWaalsContact CA-O 3.29Å; L24-H120 WeakPolarHBondContact CA-O 3.2Å; I25-H120 PolarHBondContact N-O 3Å; I25-H120 PolarHBondContact O-N 3.11Å; K27-H120 HydrophobicContact CG-CB 4.3Å; S29-H120 WeakPolarHBondContact CA-NE2 3.43Å; A30-H120 PolarHBondContact N-CE1 3.36Å; A30-H120 PolarHBondContact N-NE2 2.88Å; Q118-H120 PolarHBondContact O-CD2 2.82Å; Q118-H120 VanDerWaalsContact O-CD2 3.25Å; Q118-H120 PolarHBondContact O-N 3.1Å; H120-M122 PolarHBondContact O-N 2.77Å
121E82.5Confident71.9Confident98 Ų9875.6 Ų75.646%0.45838%0.376SS..EExtended strand (participates in β ladder)trans-66.1126.4177.3-172.1170.7174.400111.4K22 L24K22-E121 HydrophobicContact CB-CG 4.4Å; K22-E121 HydrophobicContact CD-CG 4.33Å; K22-E121 WeakPolarHBondContact CD-OE1 3.37Å; K22-E121 WeakPolarHBondContact CD-OE2 3.07Å; K22-E121 WeakPolarHBondContact CE-OE1 2.98Å; K22-E121 WeakPolarHBondContact CE-OE2 3Å; K22-E121 WeakPolarHBondContact CG-OE1 3.41Å; K22-E121 IonicContact NZ-OE1 3.51Å; K22-E121 IonicContact NZ-OE2 2.76Å; K22-E121 PolarHBondContact NZ-OE2 2.77Å; L24-E121 HydrophobicContact CD2-CB 4.07Å
122M73.2Confident71.6Confident22 Ų2281.7 Ų81.711%0.10840%0.404CS..  trans-86.5108.2175.7-166.1170.976.400108.2V23 H120 N126 Q127 L130V23-M122 HydrophobicContact CB-CB 4.36Å; V23-M122 HydrophobicContact CB-CE 4.09Å; V23-M122 HydrophobicContact CG1-CB 4.45Å; V23-M122 HydrophobicContact CG1-CE 3.66Å; V23-M122 WeakPolarHBondContact O-CB 3.1Å; V23-M122 PolarHBondContact O-N 2.76Å; H120-M122 PolarHBondContact O-N 2.77Å; M122-N126 HydrophobicContact CG-CB 4.34Å; M122-Q127 HydrophobicContact CE-CB 4.29Å; M122-Q127 HydrophobicContact CE-CG 4.22Å; M122-L130 HydrophobicContact CE-CD2 4.48Å; M122-L130 HydrophobicContact SD-CB 4.46Å; M122-L130 HydrophobicContact SD-CD2 3.82Å
123R68.4Low70.8Confident177 Ų17780.4 Ų80.467%0.66840%0.401SS*.  trans-66.4148.7171.8-61.4-177.5-179.3178.6-1109.4E125 N126 Q127R123-E125 PolarHBondContact O-N 2.9Å; R123-N126 WeakPolarHBondContact O-CA 3.47Å; R123-N126 VanDerWaalsContact O-CB 3.28Å; R123-N126 WeakPolarHBondContact O-CB 3.41Å; R123-N126 PolarHBondContact O-N 3.34Å; R123-Q127 PolarHBondContact O-N 3.03Å
124S58.5Low70.1Confident102 Ų10274.5 Ų74.571%0.71337%0.369SS*.THydrogen-bonded Turntrans-55.6-39.4179.852.50000112.7N126 Q127S124-N126 PolarHBondContact O-N 3.37Å; S124-N126 VanDerWaalsContact O-N 3.16Å; S124-Q127 PolarHBondContact O-N 2.94Å; S124-Q127 VanDerWaalsContact O-N 3.11Å
125E57.5Low69.6Low143 Ų14374.8 Ų74.867%0.66837%0.37SS*.Hα-helixtrans-54.2-30.8172.1-63.3169.4-162.600112.1R123R123-E125 PolarHBondContact O-N 2.9Å
126N62.9Low69Low46 Ų4673.6 Ų73.625%0.24637%0.371CS..Hα-helixtrans-91-6.5-176.2-52.8-15.7000114.1Y34 M122 R123 S124 Q128 A129 L130Y34-N126 HydrophobicContact CE2-CB 3.88Å; Y34-N126 WeakPolarHBondContact OH-CB 3.39Å; Y34-N126 PolarHBondContact OH-ND2 2.98Å; Y34-N126 VanDerWaalsContact OH-ND2 3.14Å; M122-N126 HydrophobicContact CG-CB 4.34Å; R123-N126 WeakPolarHBondContact O-CA 3.47Å; R123-N126 VanDerWaalsContact O-CB 3.28Å; R123-N126 WeakPolarHBondContact O-CB 3.41Å; R123-N126 PolarHBondContact O-N 3.34Å; S124-N126 PolarHBondContact O-N 3.37Å; S124-N126 VanDerWaalsContact O-N 3.16Å; N126-Q128 VanDerWaalsContact C-N 3.3Å; N126-A129 HydrophobicContact CB-CB 4.41Å; N126-A129 CarbonylContact O-C 3.54Å; N126-A129 WeakPolarHBondContact O-CB 3.43Å; N126-A129 PolarHBondContact O-N 2.88Å; N126-L130 PolarHBondContact O-N 3.48Å
127Q58Low67.8Low92 Ų9272.7 Ų72.743%0.4336%0.357SS..Hα-helixtrans-68.8-34.8172.4-169.9174.90.600110.8M122 R123 S124 L130 N131M122-Q127 HydrophobicContact CE-CB 4.29Å; M122-Q127 HydrophobicContact CE-CG 4.22Å; R123-Q127 PolarHBondContact O-N 3.03Å; S124-Q127 PolarHBondContact O-N 2.94Å; S124-Q127 VanDerWaalsContact O-N 3.11Å; Q127-L130 PolarHBondContact O-N 3.4Å; Q127-N131 PolarHBondContact O-N 2.9Å; Q127-N131 PolarHBondContact O-ND2 2.83Å
128Q62.8Low66.3Low140 Ų14072.7 Ų72.765%0.65436%0.357SS*.Hα-helixtrans-63.1-42.9167.3-82.9179.7-15.600111.1N126 L130 N131 Q132N126-Q128 VanDerWaalsContact C-N 3.3Å; Q128-L130 VanDerWaalsContact C-N 3.33Å; Q128-L130 PolarHBondContact O-N 3.37Å; Q128-N131 PolarHBondContact O-N 2.6Å; Q128-Q132 VanDerWaalsContact O-CB 3.31Å; Q128-Q132 WeakPolarHBondContact O-CB 3.3Å; Q128-Q132 VanDerWaalsContact O-CG 3.29Å; Q128-Q132 WeakPolarHBondContact O-CG 3.35Å; Q128-Q132 PolarHBondContact O-N 3.14Å
129A63.5Low64.9Low26 Ų2669.1 Ų69.122%0.21534%0.342CS..Hα-helixtrans-62-38.9176.400000112.3Y34 N126 Q132 S133Y34-A129 HydrophobicContact CD2-CB 3.9Å; Y34-A129 HydrophobicContact CE2-CB 3.75Å; N126-A129 HydrophobicContact CB-CB 4.41Å; N126-A129 CarbonylContact O-C 3.54Å; N126-A129 WeakPolarHBondContact O-CB 3.43Å; N126-A129 PolarHBondContact O-N 2.88Å; A129-Q132 PolarHBondContact O-N 2.74Å; A129-S133 VanDerWaalsContact O-CB 3.27Å; A129-S133 WeakPolarHBondContact O-CB 3.45Å; A129-S133 PolarHBondContact O-N 3.47Å; A129-S133 PolarHBondContact O-OG 3.01Å
130L62.6Low63.4Low8 Ų869.8 Ų69.84%0.04236%0.356CS..Hα-helixtrans-63.2-48.9173.5177.265000111I14 I25 Y34 M122 N126 Q127 Q128 Q132 S133 I134I14-L130 HydrophobicContact CD1-CD1 3.93Å; I25-L130 HydrophobicContact CD1-CD1 4.18Å; Y34-L130 HydrophobicContact CD1-CB 4.15Å; Y34-L130 HydrophobicContact CD1-CD1 3.86Å; Y34-L130 HydrophobicContact CE1-CB 4.35Å; Y34-L130 HydrophobicContact CG-CD1 4.45Å; M122-L130 HydrophobicContact CE-CD2 4.48Å; M122-L130 HydrophobicContact SD-CB 4.46Å; M122-L130 HydrophobicContact SD-CD2 3.82Å; N126-L130 PolarHBondContact O-N 3.48Å; Q127-L130 PolarHBondContact O-N 3.4Å; Q128-L130 VanDerWaalsContact C-N 3.33Å; Q128-L130 PolarHBondContact O-N 3.37Å; L130-Q132 VanDerWaalsContact C-N 3.3Å; L130-Q132 PolarHBondContact O-N 2.82Å; L130-S133 PolarHBondContact O-N 2.87Å; L130-S133 VanDerWaalsContact O-N 3.11Å; L130-I134 HydrophobicContact CD1-CD1 4.15Å; L130-I134 HydrophobicContact CD1-CG1 4.34Å; L130-I134 HydrophobicContact CG-CD1 3.95Å; L130-I134 VanDerWaalsContact O-CG1 3.32Å; L130-I134 WeakPolarHBondContact O-CG1 3.42Å; L130-I134 PolarHBondContact O-N 3Å
131N61.5Low61.6Low85 Ų8571.1 Ų71.146%0.45536%0.359SS..Hα-helixtrans-62-39.5177.2-72.5-20.9000111.8Q127 Q128 S133 K135Q127-N131 PolarHBondContact O-N 2.9Å; Q127-N131 PolarHBondContact O-ND2 2.83Å; Q128-N131 PolarHBondContact O-N 2.6Å; N131-S133 VanDerWaalsContact C-N 3.34Å; N131-K135 WeakPolarHBondContact O-CB 3.27Å; N131-K135 PolarHBondContact O-N 3.08Å
132Q65Low59.9Low129 Ų12973.8 Ų73.860%0.60337%0.365SS*.Hα-helixtrans-66.5-35.1173.8-77.5175.7-14.600111.9Q128 A129 L130 K135 S136Q128-Q132 VanDerWaalsContact O-CB 3.31Å; Q128-Q132 WeakPolarHBondContact O-CB 3.3Å; Q128-Q132 VanDerWaalsContact O-CG 3.29Å; Q128-Q132 WeakPolarHBondContact O-CG 3.35Å; Q128-Q132 PolarHBondContact O-N 3.14Å; A129-Q132 PolarHBondContact O-N 2.74Å; L130-Q132 VanDerWaalsContact C-N 3.3Å; L130-Q132 PolarHBondContact O-N 2.82Å; Q132-K135 PolarHBondContact O-N 2.78Å; Q132-S136 WeakPolarHBondContact O-CA 3.49Å; Q132-S136 WeakPolarHBondContact O-CB 3.48Å; Q132-S136 PolarHBondContact O-N 3.49Å
133S64Low58.5Low19 Ų1977.8 Ų77.813%0.13339%0.387CS..Hα-helixtrans-74.5-40.1178-58.10000111.4Y34 A129 L130 N131 K135 S136 L137Y34-S133 WeakPolarHBondContact CB-OG 3.4Å; A129-S133 VanDerWaalsContact O-CB 3.27Å; A129-S133 WeakPolarHBondContact O-CB 3.45Å; A129-S133 PolarHBondContact O-N 3.47Å; A129-S133 PolarHBondContact O-OG 3.01Å; L130-S133 PolarHBondContact O-N 2.87Å; L130-S133 VanDerWaalsContact O-N 3.11Å; N131-S133 VanDerWaalsContact C-N 3.34Å; S133-K135 VanDerWaalsContact C-N 3.32Å; S133-S136 PolarHBondContact O-N 3.48Å; S133-L137 VanDerWaalsContact O-CB 3.31Å; S133-L137 WeakPolarHBondContact O-CB 3.15Å; S133-L137 PolarHBondContact O-N 3.15Å
134I59.1Low57.3Low17 Ų1776 Ų769%0.08739%0.391CS..Hα-helixtrans-58.6-48.6169.6-68163.9000109.1F38 L72 L130 L137 I138F38-I134 HydrophobicContact CZ-CG1 3.94Å; L72-I134 HydrophobicContact CD1-CD1 4.18Å; L72-I134 HydrophobicContact CD1-CG1 4.48Å; L130-I134 HydrophobicContact CD1-CD1 4.15Å; L130-I134 HydrophobicContact CD1-CG1 4.34Å; L130-I134 HydrophobicContact CG-CD1 3.95Å; L130-I134 VanDerWaalsContact O-CG1 3.32Å; L130-I134 WeakPolarHBondContact O-CG1 3.42Å; L130-I134 PolarHBondContact O-N 3Å; I134-L137 PolarHBondContact O-N 3.35Å; I134-I138 HydrophobicContact CG2-CD1 3.74Å; I134-I138 WeakPolarHBondContact O-CB 3.27Å; I134-I138 WeakPolarHBondContact O-CD1 3.48Å; I134-I138 WeakPolarHBondContact O-CG1 3.34Å; I134-I138 PolarHBondContact O-N 3.4Å
135K61.6Low56.6Low128 Ų12876.7 Ų76.756%0.55738%0.383SS*.Hα-helixtrans-63.4-43178.2-172.1179.9178.2-167.70112.2N131 Q132 S133 I138 D139N131-K135 WeakPolarHBondContact O-CB 3.27Å; N131-K135 PolarHBondContact O-N 3.08Å; Q132-K135 PolarHBondContact O-N 2.78Å; S133-K135 VanDerWaalsContact C-N 3.32Å; K135-I138 PolarHBondContact O-N 3.41Å; K135-D139 VanDerWaalsContact CE-OD2 3.25Å; K135-D139 WeakPolarHBondContact CE-OD2 3.49Å; K135-D139 WeakPolarHBondContact CG-OD2 3.21Å; K135-D139 VanDerWaalsContact O-CB 3.25Å; K135-D139 WeakPolarHBondContact O-CB 3.14Å; K135-D139 PolarHBondContact O-N 2.98Å
136S61.1Low55.8Low52 Ų5280 Ų8036%0.36440%0.398SS..Hα-helixtrans-61.7-44.7175.7172.50000111.4Q132 S133 I138 D139 S140Q132-S136 WeakPolarHBondContact O-CA 3.49Å; Q132-S136 WeakPolarHBondContact O-CB 3.48Å; Q132-S136 PolarHBondContact O-N 3.49Å; S133-S136 PolarHBondContact O-N 3.48Å; S136-I138 VanDerWaalsContact C-N 3.27Å; S136-I138 PolarHBondContact O-N 2.76Å; S136-D139 PolarHBondContact O-N 3.5Å; S136-S140 WeakPolarHBondContact O-CB 3.4Å; S136-S140 PolarHBondContact O-N 3.08Å; S136-S140 PolarHBondContact O-OG 3.3Å
137L55.9Low54.9Low19 Ų1980.9 Ų80.910%0.09942%0.418CS..Hα-helixtrans-64.2-35.6177.5-154.491.1000111.4E35 F38 M92 S133 I134 S140 R141E35-L137 HydrophobicContact CG-CD1 4.23Å; F38-L137 HydrophobicContact CD2-CD2 4.24Å; F38-L137 HydrophobicContact CE1-CD2 4.43Å; F38-L137 HydrophobicContact CE2-CD2 4.06Å; F38-L137 HydrophobicContact CG-CD2 4.47Å; F38-L137 HydrophobicContact CZ-CD2 4.14Å; M92-L137 HydrophobicContact CE-CB 4.45Å; M92-L137 HydrophobicContact CE-CD2 3.28Å; M92-L137 HydrophobicContact CE-CG 4.45Å; M92-L137 HydrophobicContact SD-CD2 3.99Å; S133-L137 VanDerWaalsContact O-CB 3.31Å; S133-L137 WeakPolarHBondContact O-CB 3.15Å; S133-L137 PolarHBondContact O-N 3.15Å; I134-L137 PolarHBondContact O-N 3.35Å; L137-S140 PolarHBondContact O-OG 3.22Å; L137-R141 WeakPolarHBondContact O-CB 3.46Å; L137-R141 WeakPolarHBondContact O-CD 3.49Å; L137-R141 WeakPolarHBondContact O-CG 3.38Å
138I53.5Low53.9Low12 Ų1279.6 Ų79.66%0.06241%0.41CS..Hα-helixtrans-72.3-48.6174.9-67.3165.2000110.9A73 M92 I134 K135 S136 R141 R142 V150A73-I138 HydrophobicContact CB-CD1 3.92Å; A73-I138 HydrophobicContact CB-CG1 4.23Å; M92-I138 HydrophobicContact SD-CG1 4.32Å; I134-I138 HydrophobicContact CG2-CD1 3.74Å; I134-I138 WeakPolarHBondContact O-CB 3.27Å; I134-I138 WeakPolarHBondContact O-CD1 3.48Å; I134-I138 WeakPolarHBondContact O-CG1 3.34Å; I134-I138 PolarHBondContact O-N 3.4Å; K135-I138 PolarHBondContact O-N 3.41Å; S136-I138 VanDerWaalsContact C-N 3.27Å; S136-I138 PolarHBondContact O-N 2.76Å; I138-R141 CarbonylContact O-C 3.58Å; I138-R141 WeakPolarHBondContact O-CB 3.35Å; I138-R141 PolarHBondContact O-N 3.44Å; I138-R142 PolarHBondContact O-N 3.18Å; I138-V150 HydrophobicContact CG2-CG1 4.22Å
139D57.3Low52.7Low45 Ų4575.3 Ų75.324%0.24140%0.395CS..Hα-helixtrans-67.9-43.3-176.4-73-15000111K135 S136 R141 R142 D143K135-D139 VanDerWaalsContact CE-OD2 3.25Å; K135-D139 WeakPolarHBondContact CE-OD2 3.49Å; K135-D139 WeakPolarHBondContact CG-OD2 3.21Å; K135-D139 VanDerWaalsContact O-CB 3.25Å; K135-D139 WeakPolarHBondContact O-CB 3.14Å; K135-D139 PolarHBondContact O-N 2.98Å; S136-D139 PolarHBondContact O-N 3.5Å; D139-R141 PolarHBondContact O-N 3.02Å; D139-R141 VanDerWaalsContact O-N 3.15Å; D139-R142 WeakPolarHBondContact O-CA 3.43Å; D139-R142 WeakPolarHBondContact O-CB 3.25Å; D139-R142 PolarHBondContact O-N 3.32Å; D139-D143 PolarHBondContact O-N 2.98Å; D139-D143 VanDerWaalsContact O-N 3.1Å
140S54.3Low51.4Low74 Ų7475.3 Ų75.352%0.51739%0.392SS..Hα-helixtrans-59.4-25.5173.262.40000113.3S136 L137S136-S140 WeakPolarHBondContact O-CB 3.4Å; S136-S140 PolarHBondContact O-N 3.08Å; S136-S140 PolarHBondContact O-OG 3.3Å; L137-S140 PolarHBondContact O-OG 3.22Å
141R49.7Very low50.3Low59 Ų5982 Ų8222%0.22342%0.422CS..Hα-helixtrans-89.5-16.1175.2-73.6175.6-172.8-126.78.5112.9V77 P78 L137 I138 D139V77-R141 HydrophobicContact CG1-CB 3.83Å; V77-R141 VanDerWaalsContact CG1-CD 3.42Å; V77-R141 HydrophobicContact CG1-CG 3.52Å; P78-R141 WeakPolarHBondContact CD-O 3.16Å; L137-R141 WeakPolarHBondContact O-CB 3.46Å; L137-R141 WeakPolarHBondContact O-CD 3.49Å; L137-R141 WeakPolarHBondContact O-CG 3.38Å; I138-R141 CarbonylContact O-C 3.58Å; I138-R141 WeakPolarHBondContact O-CB 3.35Å; I138-R141 PolarHBondContact O-N 3.44Å; D139-R141 PolarHBondContact O-N 3.02Å; D139-R141 VanDerWaalsContact O-N 3.15Å
142R47.6Very low48.9Very low154 Ų15481.9 Ų81.958%0.58143%0.426SS*.Hα-helixtrans-86.2-34.2178.8-163.8-179.378.7168.75.7112.9I138 D139 N144I138-R142 PolarHBondContact O-N 3.18Å; D139-R142 WeakPolarHBondContact O-CA 3.43Å; D139-R142 WeakPolarHBondContact O-CB 3.25Å; D139-R142 PolarHBondContact O-N 3.32Å; R142-N144 VanDerWaalsContact C-N 3.3Å; R142-N144 PolarHBondContact O-N 3.45Å
143D44.6Very low47.6Very low107 Ų10781.2 Ų81.257%0.57242%0.423SS*.THydrogen-bonded Turntrans-81.926.1-158.3-87.80.8000116.9D139D139-D143 PolarHBondContact O-N 2.98Å; D139-D143 VanDerWaalsContact O-N 3.1Å
144N42.9Very low45.9Very low140 Ų14083.7 Ų83.775%0.74945%0.451SS*.THydrogen-bonded Turntrans-135.3-18.8178.7-87.8-39.2000120R142R142-N144 VanDerWaalsContact C-N 3.3Å; R142-N144 PolarHBondContact O-N 3.45Å
145Q42.3Very low44.6Very low116 Ų11689.1 Ų89.154%0.54248%0.476SS..  trans-151.3124.8-176.7-71.8-171.3-28.900113.3G147 Y148Q145-G147 PolarHBondContact O-N 3.24Å; Q145-Y148 HydrophobicContact CB-CD2 3.53Å; Q145-Y148 HydrophobicContact CB-CE2 3.58Å; Q145-Y148 HydrophobicContact CG-CE2 4.38Å; Q145-Y148 PolarHBondContact O-N 2.84Å
146E42Very low43.2Very low212 Ų21292.2 Ų92.299%0.99149%0.49SS*.THydrogen-bonded Turntrans-60.898168.3-68.2-175.5160.600108.9
147G43.3Very low41.6Very low64 Ų6498.2 Ų98.266%0.6651%0.509SS*.THydrogen-bonded Turntrans152.6-17.9-174.900000113.8Q145Q145-G147 PolarHBondContact O-N 3.24Å
148Y38.2Very low40.4Very low65 Ų65105.4 Ų105.426%0.25554%0.54SS..  trans-107.5111.6-178.5-61.8-95000110.6N76 P78 E82 Q145N76-Y148 HydrophobicContact CB-CD1 3.79Å; P78-Y148 HydrophobicContact CB-CE1 4.48Å; E82-Y148 WeakPolarHBondContact OE2-CE1 3.28Å; E82-Y148 PolarHBondContact OE2-OH 3.41Å; Q145-Y148 HydrophobicContact CB-CD2 3.53Å; Q145-Y148 HydrophobicContact CB-CE2 3.58Å; Q145-Y148 HydrophobicContact CG-CE2 4.38Å; Q145-Y148 PolarHBondContact O-N 2.84Å
149S37Very low39.4Very low51 Ų51112.4 Ų112.436%0.35757%0.569SS.*  trans-106.5104.4173.452.40000109.8G75 N76 F151G75-S149 VanDerWaalsContact CA-O 3.26Å; G75-S149 WeakPolarHBondContact CA-O 3.5Å; N76-S149 PolarHBondContact N-O 3.25Å; S149-F151 VanDerWaalsContact CB-CE2 3.44Å; S149-F151 WeakPolarHBondContact OG-CE2 3.25Å
150V36.2Very low38.2Very low25 Ų25117.3 Ų117.315%0.15259%0.591CS.*EExtended strand (participates in β ladder)trans-86.2104156.2-179.40000106.1A73 N76 V77 I138 C152A73-V150 HydrophobicContact CB-CG1 3.97Å; N76-V150 WeakPolarHBondContact O-CG2 3.43Å; V77-V150 HydrophobicContact CG2-CG2 4.39Å; I138-V150 HydrophobicContact CG2-CG1 4.22Å; V150-C152 PolarHBondContact O-N 2.77Å
151F38.6Very low37.2Very low150 Ų150117.9 Ų117.966%0.65859%0.587SS**EExtended strand (participates in β ladder)trans-78.1115.8174.7-71.3-78.9000108.4G74 S149 E153G74-F151 PolarHBondContact N-O 3.37Å; G74-F151 PolarHBondContact O-N 2.94Å; S149-F151 VanDerWaalsContact CB-CE2 3.44Å; S149-F151 WeakPolarHBondContact OG-CE2 3.25Å; F151-E153 PolarHBondContact O-N 3.46Å
152C32.6Very low36.1Very low82 Ų82121 Ų12155%0.55461%0.608SS**EExtended strand (participates in β ladder)trans-63.4115.6161.7-69.90000107.6V150 G154V150-C152 PolarHBondContact O-N 2.77Å; C152-G154 PolarHBondContact O-N 3.21Å
153E38.2Very low35.5Very low115 Ų115118.6 Ų118.654%0.53761%0.612SS.*  trans-69.2124166.4-143160.9177.300106.7F151 H155F151-E153 PolarHBondContact O-N 3.46Å; E153-H155 PolarHBondContact O-N 2.9Å
154G28.7Very low34.8Very low70 Ų70120.7 Ų120.772%0.72262%0.621SS**  trans-57104.6-175.400000109.8C152 K156C152-G154 PolarHBondContact O-N 3.21Å; G154-K156 VanDerWaalsContact C-N 3.35Å; G154-K156 PolarHBondContact O-N 3.33Å
155H31.7Very low34Very low131 Ų131120.5 Ų120.561%0.60662%0.619SS**  trans-56.298.6177-138-71.5000107.7E153 K157E153-H155 PolarHBondContact O-N 2.9Å; H155-K157 VanDerWaalsContact C-N 3.33Å; H155-K157 PolarHBondContact O-N 2.88Å
156K32.1Very low33.6Very low194 Ų194124 Ų12484%0.84363%0.633SS**  trans-59.1107164.1-88-176.9178.4172.50105.1G154 K158G154-K156 VanDerWaalsContact C-N 3.35Å; G154-K156 PolarHBondContact O-N 3.33Å; K156-K158 PolarHBondContact O-N 3.32Å
157K27.9Very low33Very low177 Ų177119.8 Ų119.877%0.7762%0.622SS**  trans-4692.1-179.9-74.2173.8175.7168.30110.4H155 K159H155-K157 VanDerWaalsContact C-N 3.33Å; H155-K157 PolarHBondContact O-N 2.88Å; K157-K159 PolarHBondContact O-N 3.37Å
158K29.6Very low32.5Very low171 Ų171120.5 Ų120.574%0.74363%0.629SS**  trans-78.974.7155.3-83.5-179.4-179.5165.90107K156 H160K156-K158 PolarHBondContact O-N 3.32Å; K158-H160 PolarHBondContact O-N 3.36Å
159K31.9Very low32.2Very low158 Ų158125.1 Ų125.169%0.68766%0.656SS**  trans-67118.9164.3-95.9-173.4173.7-169.80107.5K157K157-K159 PolarHBondContact O-N 3.37Å
160H33.7Very low32.1Very low148 Ų148128.4 Ų128.469%0.68567%0.674SS**  trans62.8103.4157.5-61.4-75.9000118.2K158K158-H160 PolarHBondContact O-N 3.36Å
161I31.9Very low31.9Very low87 Ų87134.4 Ų134.445%0.44671%0.705SS.*SBendtrans-64.5119.3140.6-74.296.8000109.1E18E18-I161 VanDerWaalsContact CD-CD1 3.46Å; E18-I161 HydrophobicContact CG-CG2 4.3Å; E18-I161 WeakPolarHBondContact OE1-CB 3.28Å; E18-I161 WeakPolarHBondContact OE1-CD1 3.34Å; E18-I161 WeakPolarHBondContact OE1-CG1 3.39Å; E18-I161 WeakPolarHBondContact OE1-CG2 3.34Å; E18-I161 VanDerWaalsContact OE2-CD1 3.24Å; E18-I161 WeakPolarHBondContact OE2-CD1 3.33Å; E18-I161 VanDerWaalsContact OE2-CG1 3.23Å; E18-I161 WeakPolarHBondContact OE2-CG1 3.38Å
162L26.5Very low32Very low125 Ų125135.5 Ų135.565%0.65472%0.716SS**SBendtrans67.2158.5150.2-113.275.6000120.3
163P34.8Very low32.2Very low102 Ų102134.8 Ų134.866%0.66272%0.722SS**  -118.7161.3-106.438.5-22.6000112.5
164I30.7Very low32.1Very low151 Ų151134.4 Ų134.477%0.77474%0.739SS**  trans-171.1105159.6-91.2136.2000105.1
165I26.6Very low32.8Very low137 Ų137135.6 Ų135.670%0.70374%0.741SS**  50.2107.9108.4-55.3164.6000111.6
166F32.5Very low33.8Very low188 Ų188133.3 Ų133.383%0.82574%0.74SS**  trans-173.393.8131.6-107.9-80.6000109.6
167T31.2Very low34.7Very low124 Ų124126.6 Ų126.676%0.76173%0.726SS**  trans13.7133.4135.142.50000119.4
168G32.1Very low36Very low79 Ų79122 Ų12281%0.81472%0.721SS**  trans166.972.6156.400000115.6
169I31.9Very low37.3Very low162 Ų162118.3 Ų118.383%0.83171%0.713SS**  trans-59.7142157.1-67.4166.6000108.5
170V34.1Very low38.3Very low121 Ų121114 Ų11473%0.73371%0.706SS**  trans172.5109.5133.81580000111.3
171L33.5Very low39.5Very low150 Ų150112 Ų11279%0.78570%0.7SS**  trans27135.4135-62.5155.8000121.8
172I40.1Very low40.8Very low174 Ų174110.9 Ų110.989%0.89270%0.704SS**  trans162129.6130.2-76.2149.7000103.9
173G36.9Very low42.6Very low66 Ų66109.7 Ų109.768%0.6870%0.701SS**  cis145.912121.500000105.6
174A35.6Very low43.9Very low108 Ų108107.5 Ų107.589%0.89369%0.692SS**  trans-0119.7170.300000120.3
175A43.2Very low45.7Very low94 Ų94107.5 Ų107.578%0.77769%0.687SS**  trans-158.2115.914400000111.7
176S54Low47.5Very low83 Ų83103.8 Ų103.858%0.5868%0.676SS**  trans27.3111.9162.858.70000120.6A178 V179S176-A178 PolarHBondContact O-N 3.22Å; S176-V179 PolarHBondContact O-N 3.1Å
177G50.3Low49Very low54 Ų5497.1 Ų97.156%0.55766%0.656SS**Hα-helixtrans-61.7-8.417800000117.1L181G177-L181 PolarHBondContact O-N 3Å
178A54.6Low50.7Low79 Ų7993.3 Ų93.365%0.65364%0.637SS**Hα-helixtrans-74.3-33.2178.200000113.1S176S176-A178 PolarHBondContact O-N 3.22Å
179V56.4Low52.4Low95 Ų9593.3 Ų93.358%0.57663%0.625SS**Hα-helixtrans-75.8-34.8178.1-178.10000110.8S176 L181 A182 V183S176-V179 PolarHBondContact O-N 3.1Å; V179-L181 VanDerWaalsContact C-N 3.33Å; V179-L181 PolarHBondContact O-N 3.39Å; V179-A182 PolarHBondContact O-N 3.15Å; V179-V183 WeakPolarHBondContact O-CG2 3.31Å; V179-V183 PolarHBondContact O-N 2.78Å
180A53.4Low54.2Low66 Ų6694.6 Ų94.655%0.54562%0.62SS.*Hα-helixtrans-62.6-37176.100000112.8A184A180-A184 WeakPolarHBondContact O-CB 3.49Å; A180-A184 PolarHBondContact O-N 3.16Å
181L58.7Low55.8Low107 Ų10793.7 Ų93.756%0.5661%0.611SS**Hα-helixtrans-69.6-40.4178.4-104.4121.6000113G177 V179 A184 F185G177-L181 PolarHBondContact O-N 3Å; V179-L181 VanDerWaalsContact C-N 3.33Å; V179-L181 PolarHBondContact O-N 3.39Å; L181-A184 PolarHBondContact O-N 2.74Å; L181-F185 HydrophobicContact CD2-CD2 4.39Å; L181-F185 HydrophobicContact CD2-CE2 3.76Å; L181-F185 VanDerWaalsContact O-CD2 3.24Å; L181-F185 WeakPolarHBondContact O-CD2 3.34Å; L181-F185 PolarHBondContact O-N 3.34Å
182A60.6Low57.2Low64 Ų6492 Ų9253%0.52960%0.602SS.*Hα-helixtrans-66.7-40.217900000112.3V179 A184 F185 A186V179-A182 PolarHBondContact O-N 3.15Å; A182-A184 VanDerWaalsContact C-N 3.33Å; A182-F185 PolarHBondContact O-N 2.76Å; A182-A186 PolarHBondContact O-N 3.39Å; A182-A186 VanDerWaalsContact O-N 3.12Å
183V64.1Low58.6Low99 Ų9988.7 Ų88.760%0.659%0.585SS**Hα-helixtrans-65.6-38.2174.1177.20000110.8V179 A187V179-V183 WeakPolarHBondContact O-CG2 3.31Å; V179-V183 PolarHBondContact O-N 2.78Å; V183-A187 VanDerWaalsContact O-CB 3.31Å; V183-A187 WeakPolarHBondContact O-CB 3.4Å; V183-A187 PolarHBondContact O-N 3.38Å
184A62Low60Low57 Ų5787.4 Ų87.447%0.47157%0.572SS.*Hα-helixtrans-64.3-40.7175.700000112.9A180 L181 A182 A188A180-A184 WeakPolarHBondContact O-CB 3.49Å; A180-A184 PolarHBondContact O-N 3.16Å; L181-A184 PolarHBondContact O-N 2.74Å; A182-A184 VanDerWaalsContact C-N 3.33Å; A184-A188 WeakPolarHBondContact O-CB 3.28Å; A184-A188 PolarHBondContact O-N 3.37Å
185F67.2Low61.3Low151 Ų15187.7 Ų87.766%0.66256%0.555SS**Hα-helixtrans-67.7-42.4177-85.7-69.5000112.9L181 A182 A188 S189L181-F185 HydrophobicContact CD2-CD2 4.39Å; L181-F185 HydrophobicContact CD2-CE2 3.76Å; L181-F185 VanDerWaalsContact O-CD2 3.24Å; L181-F185 WeakPolarHBondContact O-CD2 3.34Å; L181-F185 PolarHBondContact O-N 3.34Å; A182-F185 PolarHBondContact O-N 2.76Å; F185-A188 PolarHBondContact O-N 3.22Å; F185-S189 PolarHBondContact O-N 2.89Å
186A65.3Low62.2Low58 Ų5888.2 Ų88.248%0.47954%0.544SS..Hα-helixtrans-64.3-41.1176.300000111.7A182 S189 Y190A182-A186 PolarHBondContact O-N 3.39Å; A182-A186 VanDerWaalsContact O-N 3.12Å; A186-S189 PolarHBondContact O-N 3.25Å; A186-Y190 PolarHBondContact O-N 3.3Å; A186-Y190 VanDerWaalsContact O-N 3.12Å
187A64.1Low62.9Low48 Ų4889.5 Ų89.540%0.39754%0.544SS..Hα-helixtrans-63.7-42.9174.400000112.1V183 S189 Y190 I191V183-A187 VanDerWaalsContact O-CB 3.31Å; V183-A187 WeakPolarHBondContact O-CB 3.4Å; V183-A187 PolarHBondContact O-N 3.38Å; A187-S189 PolarHBondContact O-N 3.35Å; A187-Y190 PolarHBondContact O-N 3.42Å; A187-I191 WeakPolarHBondContact O-CD1 3.29Å; A187-I191 VanDerWaalsContact O-CG1 3.22Å; A187-I191 WeakPolarHBondContact O-CG1 3.39Å; A187-I191 PolarHBondContact O-N 2.86Å
188A67.3Low63.4Low44 Ų4492.5 Ų92.536%0.36455%0.546SS..Hα-helixtrans-62.8-40176.800000112.5A184 F185 I191 L192A184-A188 WeakPolarHBondContact O-CB 3.28Å; A184-A188 PolarHBondContact O-N 3.37Å; F185-A188 PolarHBondContact O-N 3.22Å; A188-I191 PolarHBondContact O-N 3.05Å; A188-L192 WeakPolarHBondContact O-CB 3.48Å; A188-L192 PolarHBondContact O-N 3.4Å
189S67.7Low63.2Low79 Ų7992.4 Ų92.455%0.55254%0.54SS*.Hα-helixtrans-64.9-42.1176.9-172.70000112.2F185 A186 A187 L192 L193F185-S189 PolarHBondContact O-N 2.89Å; A186-S189 PolarHBondContact O-N 3.25Å; A187-S189 PolarHBondContact O-N 3.35Å; S189-L192 PolarHBondContact O-N 2.82Å; S189-L193 WeakPolarHBondContact O-CB 3.22Å; S189-L193 PolarHBondContact O-N 2.9Å
190Y69Low63.4Low189 Ų18992.3 Ų92.374%0.74154%0.535SS*.Hα-helixtrans-65.4-37.8174.3-106-85.2000112.9A186 A187 L193 G194A186-Y190 PolarHBondContact O-N 3.3Å; A186-Y190 VanDerWaalsContact O-N 3.12Å; A187-Y190 PolarHBondContact O-N 3.42Å; Y190-L193 PolarHBondContact O-N 3.3Å; Y190-G194 PolarHBondContact O-N 3.33Å
191I67.1Low63.6Low103 Ų10391.4 Ų91.453%0.52853%0.528SS..Hα-helixtrans-64.7-44.1175.7-68.8164.2000110.8A187 A188 G194 Q195A187-I191 WeakPolarHBondContact O-CD1 3.29Å; A187-I191 VanDerWaalsContact O-CG1 3.22Å; A187-I191 WeakPolarHBondContact O-CG1 3.39Å; A187-I191 PolarHBondContact O-N 2.86Å; A188-I191 PolarHBondContact O-N 3.05Å; I191-G194 PolarHBondContact O-N 3.48Å; I191-Q195 WeakPolarHBondContact O-CB 3.48Å; I191-Q195 WeakPolarHBondContact O-CG 3.21Å; I191-Q195 PolarHBondContact O-N 2.83Å
192L63.1Low63.1Low115 Ų11590.3 Ų90.360%0.60253%0.526SS*.Hα-helixtrans-63-43.5176.5-84.6157.6000112A188 S189 Q195 L196A188-L192 WeakPolarHBondContact O-CB 3.48Å; A188-L192 PolarHBondContact O-N 3.4Å; S189-L192 PolarHBondContact O-N 2.82Å; L192-Q195 PolarHBondContact O-N 2.99Å; L192-L196 PolarHBondContact O-N 2.88Å
193L69.4Low62.3Low104 Ų10491 Ų9155%0.54553%0.526SS..Hα-helixtrans-64.7-40.7177.3-15679.1000111.5S189 Y190 L196 L197S189-L193 WeakPolarHBondContact O-CB 3.22Å; S189-L193 PolarHBondContact O-N 2.9Å; Y190-L193 PolarHBondContact O-N 3.3Å; L193-L196 PolarHBondContact O-N 2.97Å; L193-L197 WeakPolarHBondContact O-CG 3.4Å; L193-L197 PolarHBondContact O-N 2.96Å
194G66.6Low61.6Low39 Ų3990.6 Ų90.640%0.40252%0.523SS..Hα-helixtrans-65.4-39.5175.200000113.5Y190 I191 L198Y190-G194 PolarHBondContact O-N 3.33Å; I191-G194 PolarHBondContact O-N 3.48Å; G194-L198 WeakPolarHBondContact O-CB 3.39Å; G194-L198 PolarHBondContact O-N 3.42Å
195Q64.1Low60.6Low114 Ų11493.6 Ų93.653%0.53353%0.531SS..Hα-helixtrans-65.2-40.5174.3-78179.7-23.200112I191 L192 L198 C199I191-Q195 WeakPolarHBondContact O-CB 3.48Å; I191-Q195 WeakPolarHBondContact O-CG 3.21Å; I191-Q195 PolarHBondContact O-N 2.83Å; L192-Q195 PolarHBondContact O-N 2.99Å; Q195-L198 PolarHBondContact O-N 3.37Å; Q195-C199 PolarHBondContact O-N 3.33Å; Q195-C199 PolarHBondContact O-SG 3.4Å; Q195-C199 VanDerWaalsContact O-SG 3.42Å
196L61.7Low59.1Low104 Ų10493.7 Ų93.755%0.54553%0.528SS..Hα-helixtrans-63.6-45.6176.5-175.964.6000111.8L192 L193 L198 C199 I200L192-L196 PolarHBondContact O-N 2.88Å; L193-L196 PolarHBondContact O-N 2.97Å; L196-L198 PolarHBondContact O-N 3.23Å; L196-C199 PolarHBondContact O-N 2.97Å; L196-I200 HydrophobicContact CG-CD1 4.18Å; L196-I200 WeakPolarHBondContact O-CG1 3.32Å; L196-I200 PolarHBondContact O-N 3.06Å
197L67.4Low57.9Low111 Ų11196 Ų9658%0.58153%0.529SS*.Hα-helixtrans-63.2-39.6177-73.1170.1000112.3L193 I200 A201L193-L197 WeakPolarHBondContact O-CG 3.4Å; L193-L197 PolarHBondContact O-N 2.96Å; L197-I200 PolarHBondContact O-N 2.98Å; L197-A201 WeakPolarHBondContact O-CB 3.27Å; L197-A201 PolarHBondContact O-N 3.42Å
198L60.9Low56.5Low116 Ų11696 Ų9661%0.60753%0.529SS*.Hα-helixtrans-64-43.3175-175.865.8000111.7G194 Q195 L196 A201 V202G194-L198 WeakPolarHBondContact O-CB 3.39Å; G194-L198 PolarHBondContact O-N 3.42Å; Q195-L198 PolarHBondContact O-N 3.37Å; L196-L198 PolarHBondContact O-N 3.23Å; L198-A201 PolarHBondContact O-N 2.82Å; L198-V202 WeakPolarHBondContact O-CG2 3.39Å; L198-V202 PolarHBondContact O-N 3.46Å
199C51.9Low55.2Low78 Ų78100 Ų10053%0.52754%0.54SS..Hα-helixtrans-61.4-43.6175.5-77.20000112Q195 L196 A201 V202 C203Q195-C199 PolarHBondContact O-N 3.33Å; Q195-C199 PolarHBondContact O-SG 3.4Å; Q195-C199 VanDerWaalsContact O-SG 3.42Å; L196-C199 PolarHBondContact O-N 2.97Å; C199-A201 PolarHBondContact O-N 2.97Å; C199-V202 PolarHBondContact O-N 3.39Å; C199-C203 PolarHBondContact O-N 3.01Å; C199-C203 PolarHBondContact O-SG 2.79Å; C199-C203 VanDerWaalsContact O-SG 3.33Å
200I60.7Low53.4Low92 Ų9298.3 Ų98.347%0.47254%0.535SS..Hα-helixtrans-61.1-45.8176.4-67.2166.7000110.3L196 L197 V202 C203 V204L196-I200 HydrophobicContact CG-CD1 4.18Å; L196-I200 WeakPolarHBondContact O-CG1 3.32Å; L196-I200 PolarHBondContact O-N 3.06Å; L197-I200 PolarHBondContact O-N 2.98Å; I200-V202 PolarHBondContact O-N 2.86Å; I200-C203 PolarHBondContact O-N 2.85Å; I200-V204 HydrophobicContact CG2-CG2 4.37Å; I200-V204 VanDerWaalsContact O-CG2 3.31Å; I200-V204 WeakPolarHBondContact O-CG2 3.11Å; I200-V204 PolarHBondContact O-N 3.38Å
201A56.8Low52Low47 Ų4796.3 Ų96.339%0.38853%0.526SS..Hα-helixtrans-61.4-43.1178.400000112.5L197 L198 C199 V204 L205L197-A201 WeakPolarHBondContact O-CB 3.27Å; L197-A201 PolarHBondContact O-N 3.42Å; L198-A201 PolarHBondContact O-N 2.82Å; C199-A201 PolarHBondContact O-N 2.97Å; A201-V204 PolarHBondContact O-N 2.94Å; A201-L205 WeakPolarHBondContact O-CB 3.15Å; A201-L205 VanDerWaalsContact O-CG 3.3Å; A201-L205 WeakPolarHBondContact O-CG 2.97Å; A201-L205 PolarHBondContact O-N 3.29Å
202V48.3Very low50.7Low85 Ų8598.2 Ų98.252%0.51553%0.533SS..Hα-helixtrans-63.5-43.1176.31710000111.4L198 C199 I200 L205 Y206L198-V202 WeakPolarHBondContact O-CG2 3.39Å; L198-V202 PolarHBondContact O-N 3.46Å; C199-V202 PolarHBondContact O-N 3.39Å; I200-V202 PolarHBondContact O-N 2.86Å; V202-L205 PolarHBondContact O-N 3.4Å; V202-Y206 WeakPolarHBondContact O-CB 3.35Å; V202-Y206 PolarHBondContact O-N 2.82Å
203C44.3Very low49.4Very low79 Ų7996.4 Ų96.453%0.53453%0.526SS..Hα-helixtrans-62.4-44.4176.6-72.60000112C199 I200 Y206 E207C199-C203 PolarHBondContact O-N 3.01Å; C199-C203 PolarHBondContact O-SG 2.79Å; C199-C203 VanDerWaalsContact O-SG 3.33Å; I200-C203 PolarHBondContact O-N 2.85Å; C203-Y206 PolarHBondContact O-N 3.28Å; C203-E207 PolarHBondContact O-N 2.92Å
204V49Very low48.1Very low90 Ų9091.8 Ų91.855%0.54550%0.502SS..Hα-helixtrans-63.7-42178.7172.40000111.3I200 A201 E207 A208I200-V204 HydrophobicContact CG2-CG2 4.37Å; I200-V204 VanDerWaalsContact O-CG2 3.31Å; I200-V204 WeakPolarHBondContact O-CG2 3.11Å; I200-V204 PolarHBondContact O-N 3.38Å; A201-V204 PolarHBondContact O-N 2.94Å; V204-E207 PolarHBondContact O-N 3.05Å; V204-A208 WeakPolarHBondContact O-CB 3.36Å; V204-A208 PolarHBondContact O-N 2.95Å
205L40.9Very low47.2Very low120 Ų12094.2 Ų94.263%0.62851%0.506SS*.Hα-helixtrans-64.7-43.8176.8-72.1170.8000112A201 V202 E207 A208 E209A201-L205 WeakPolarHBondContact O-CB 3.15Å; A201-L205 VanDerWaalsContact O-CG 3.3Å; A201-L205 WeakPolarHBondContact O-CG 2.97Å; A201-L205 PolarHBondContact O-N 3.29Å; V202-L205 PolarHBondContact O-N 3.4Å; L205-E207 VanDerWaalsContact C-N 3.32Å; L205-E207 PolarHBondContact O-N 3.06Å; L205-A208 PolarHBondContact O-N 2.83Å; L205-A208 VanDerWaalsContact O-N 3.16Å; L205-E209 PolarHBondContact O-N 3.11Å
206Y36.2Very low46.2Very low152 Ų15291.6 Ų91.660%0.59650%0.504SS*.Hα-helixtrans-62.8-39.5178.1-167.4-83.8000112.1V202 C203 G210V202-Y206 WeakPolarHBondContact O-CB 3.35Å; V202-Y206 PolarHBondContact O-N 2.82Å; C203-Y206 PolarHBondContact O-N 3.28Å; Y206-G210 PolarHBondContact O-N 3.46Å; Y206-G210 VanDerWaalsContact O-N 3.17Å
207E39.3Very low45.6Very low107 Ų10789 Ų8950%0.549%0.49SS..Hα-helixtrans-71.2-29.2175-73.4-165.8-179.600113.6C203 V204 L205 R211C203-E207 PolarHBondContact O-N 2.92Å; V204-E207 PolarHBondContact O-N 3.05Å; L205-E207 VanDerWaalsContact C-N 3.32Å; L205-E207 PolarHBondContact O-N 3.06Å; E207-R211 PolarHBondContact O-N 3.02Å; E207-R211 PolarHBondContact O-NE 3.47Å; E207-R211 IonicContact OE2-CZ 3.9Å; E207-R211 IonicContact OE2-NH2 2.93Å; E207-R211 PolarHBondContact OE2-NH2 3.25Å
208A34.9Very low44.8Very low49 Ų4988.6 Ų88.641%0.40548%0.484SS..Hα-helixtrans-70.1-47.517500000111V204 L205 G210 R211 E212V204-A208 WeakPolarHBondContact O-CB 3.36Å; V204-A208 PolarHBondContact O-N 2.95Å; L205-A208 PolarHBondContact O-N 2.83Å; L205-A208 VanDerWaalsContact O-N 3.16Å; A208-G210 PolarHBondContact O-N 2.85Å; A208-R211 PolarHBondContact O-N 3.41Å; A208-R211 VanDerWaalsContact O-N 3.15Å; A208-E212 PolarHBondContact O-N 3.36Å
209E39Very low44.5Very low128 Ų12887.3 Ų87.360%0.59848%0.481SS*.Hα-helixtrans-64.6-38.3-179.3-162.9171.9-16500112L205 R211 E212 V213L205-E209 PolarHBondContact O-N 3.11Å; E209-R211 VanDerWaalsContact C-N 3.35Å; E209-R211 PolarHBondContact O-N 2.94Å; E209-E212 PolarHBondContact O-N 3.06Å; E209-V213 WeakPolarHBondContact O-CG2 3.38Å; E209-V213 PolarHBondContact O-N 3.37Å; E209-V213 VanDerWaalsContact O-N 3.11Å
210G31.7Very low44.6Very low42 Ų4286.1 Ų86.143%0.43348%0.476SS..Hα-helixtrans-63.6-35.8173.900000113.9Y206 A208 S214Y206-G210 PolarHBondContact O-N 3.46Å; Y206-G210 VanDerWaalsContact O-N 3.17Å; A208-G210 PolarHBondContact O-N 2.85Å; G210-S214 WeakPolarHBondContact O-CB 3.48Å; G210-S214 PolarHBondContact O-N 2.9Å
211R38.3Very low44.3Very low147 Ų14782.5 Ų82.556%0.55546%0.458SS*.Hα-helixtrans-71.1-43.1176.2-84.1-177.9-94.6-123.3-2111.6E207 A208 E209 S214 D215E207-R211 PolarHBondContact O-N 3.02Å; E207-R211 PolarHBondContact O-NE 3.47Å; E207-R211 IonicContact OE2-CZ 3.9Å; E207-R211 IonicContact OE2-NH2 2.93Å; E207-R211 PolarHBondContact OE2-NH2 3.25Å; A208-R211 PolarHBondContact O-N 3.41Å; A208-R211 VanDerWaalsContact O-N 3.15Å; E209-R211 VanDerWaalsContact C-N 3.35Å; E209-R211 PolarHBondContact O-N 2.94Å; R211-S214 VanDerWaalsContact O-CB 3.29Å; R211-S214 WeakPolarHBondContact O-CB 3.3Å; R211-S214 PolarHBondContact O-N 2.92Å; R211-D215 PolarHBondContact O-N 3.03Å
212E39.4Very low44.3Very low144 Ų14483.7 Ų83.767%0.67346%0.46SS*.Hα-helixtrans-65.7-43.3-178.3-161.7175.4-17200112.5A208 E209 S214 D215 A216A208-E212 PolarHBondContact O-N 3.36Å; E209-E212 PolarHBondContact O-N 3.06Å; E212-S214 VanDerWaalsContact C-N 3.29Å; E212-S214 PolarHBondContact O-N 3.49Å; E212-D215 PolarHBondContact O-N 2.57Å; E212-A216 WeakPolarHBondContact O-CB 3.29Å; E212-A216 PolarHBondContact O-N 3.01Å
213V36.8Very low44.7Very low76 Ų7684 Ų8446%0.46147%0.466SS..Hα-helixtrans-61.6-40.3174.2172.50000111.3E209 A216 I217E209-V213 WeakPolarHBondContact O-CG2 3.38Å; E209-V213 PolarHBondContact O-N 3.37Å; E209-V213 VanDerWaalsContact O-N 3.11Å; V213-A216 PolarHBondContact O-N 3.32Å; V213-I217 HydrophobicContact CG1-CD1 3.83Å; V213-I217 HydrophobicContact CG1-CG1 4.47Å; V213-I217 WeakPolarHBondContact O-CB 3.28Å; V213-I217 VanDerWaalsContact O-CG1 3.26Å; V213-I217 WeakPolarHBondContact O-CG1 3.43Å; V213-I217 PolarHBondContact O-N 3.08Å
214S42.2Very low45.4Very low7 Ų783.5 Ų83.55%0.04946%0.455CS..Hα-helixtrans-61.6-47176.4145.90000111.8G210 R211 E212 I217 K218 L502G210-S214 WeakPolarHBondContact O-CB 3.48Å; G210-S214 PolarHBondContact O-N 2.9Å; R211-S214 VanDerWaalsContact O-CB 3.29Å; R211-S214 WeakPolarHBondContact O-CB 3.3Å; R211-S214 PolarHBondContact O-N 2.92Å; E212-S214 VanDerWaalsContact C-N 3.29Å; E212-S214 PolarHBondContact O-N 3.49Å; S214-I217 PolarHBondContact O-N 2.94Å; S214-K218 VanDerWaalsContact O-CB 3.3Å; S214-K218 WeakPolarHBondContact O-CB 3.29Å; S214-K218 PolarHBondContact O-N 3.05Å; S214-L502 VanDerWaalsContact OG-CD1 3.3Å; S214-L502 WeakPolarHBondContact OG-CD1 3.06Å; S214-L502 VanDerWaalsContact OG-CD2 3.23Å; S214-L502 WeakPolarHBondContact OG-CD2 3.49Å
215D46.7Very low46.3Very low91 Ų9180.9 Ų80.949%0.48744%0.443SS..Hα-helixtrans-69.6-35.5-179.6-72.4-19.8000111.9R211 E212 K218 T219R211-D215 PolarHBondContact O-N 3.03Å; E212-D215 PolarHBondContact O-N 2.57Å; D215-K218 PolarHBondContact O-N 2.93Å; D215-T219 VanDerWaalsContact O-CB 3.25Å; D215-T219 WeakPolarHBondContact O-CB 3.23Å; D215-T219 PolarHBondContact O-N 3.44Å; D215-T219 PolarHBondContact O-OG1 2.91Å
216A44.1Very low47.9Very low59 Ų5978.1 Ų78.149%0.48843%0.432SS..Hα-helixtrans-65.1-46.1173.300000111.9E212 V213 T219 A220E212-A216 WeakPolarHBondContact O-CB 3.29Å; E212-A216 PolarHBondContact O-N 3.01Å; V213-A216 PolarHBondContact O-N 3.32Å; A216-T219 PolarHBondContact O-N 2.87Å; A216-A220 VanDerWaalsContact O-CB 3.24Å; A216-A220 WeakPolarHBondContact O-CB 3.49Å; A216-A220 PolarHBondContact O-N 3.4Å
217I49Very low50Low48 Ų4877.4 Ų77.425%0.24644%0.443CS..Hα-helixtrans-62.1-45.8174.9-70.5168.3000110.1V213 S214 T219 A220 L221 I405 L506 A509V213-I217 HydrophobicContact CG1-CD1 3.83Å; V213-I217 HydrophobicContact CG1-CG1 4.47Å; V213-I217 WeakPolarHBondContact O-CB 3.28Å; V213-I217 VanDerWaalsContact O-CG1 3.26Å; V213-I217 WeakPolarHBondContact O-CG1 3.43Å; V213-I217 PolarHBondContact O-N 3.08Å; S214-I217 PolarHBondContact O-N 2.94Å; I217-T219 VanDerWaalsContact C-N 3.34Å; I217-T219 PolarHBondContact O-N 3.35Å; I217-A220 PolarHBondContact O-N 3.03Å; I217-L221 HydrophobicContact CG2-CD1 3.62Å; I217-L221 HydrophobicContact CG2-CG 4.26Å; I217-L221 VanDerWaalsContact O-CB 3.32Å; I217-L221 WeakPolarHBondContact O-CB 3.38Å; I217-L221 VanDerWaalsContact O-CG 3.22Å; I217-L221 WeakPolarHBondContact O-CG 3.49Å; I217-L221 PolarHBondContact O-N 3.15Å; I217-I405 HydrophobicContact CG2-CD1 4.4Å; I217-L506 HydrophobicContact CD1-CD2 4.47Å; I217-A509 HydrophobicContact CD1-CB 4.34Å
218K51.2Low52.2Low103 Ų10373 Ų7345%0.44842%0.423SS..Hα-helixtrans-57.7-48.9177.1-173176.2179-175.70110.4S214 D215 L221 T222 I405S214-K218 VanDerWaalsContact O-CB 3.3Å; S214-K218 WeakPolarHBondContact O-CB 3.29Å; S214-K218 PolarHBondContact O-N 3.05Å; D215-K218 PolarHBondContact O-N 2.93Å; K218-L221 PolarHBondContact O-N 3.18Å; K218-T222 HydrophobicContact CG-CG2 4.15Å; K218-T222 WeakPolarHBondContact O-CB 3.32Å; K218-T222 VanDerWaalsContact O-CG2 3.29Å; K218-T222 WeakPolarHBondContact O-CG2 3.43Å; K218-T222 PolarHBondContact O-N 2.99Å; K218-T222 PolarHBondContact O-OG1 3.38Å; K218-I405 HydrophobicContact CB-CD1 4.46Å; K218-I405 HydrophobicContact CG-CG2 4.49Å
219T54.2Low54.7Low89 Ų8972.4 Ų72.455%0.54642%0.416SS..Hα-helixtrans-64.4-43.7179.7-57.70000112.2D215 A216 I217 L221 T222 S223D215-T219 VanDerWaalsContact O-CB 3.25Å; D215-T219 WeakPolarHBondContact O-CB 3.23Å; D215-T219 PolarHBondContact O-N 3.44Å; D215-T219 PolarHBondContact O-OG1 2.91Å; A216-T219 PolarHBondContact O-N 2.87Å; I217-T219 VanDerWaalsContact C-N 3.34Å; I217-T219 PolarHBondContact O-N 3.35Å; T219-L221 VanDerWaalsContact C-N 3.3Å; T219-L221 PolarHBondContact O-N 2.99Å; T219-T222 PolarHBondContact O-OG1 3.21Å; T219-S223 WeakPolarHBondContact O-CB 3.23Å; T219-S223 PolarHBondContact O-N 3.1Å; T219-S223 PolarHBondContact O-OG 2.73Å
220A52.8Low56.9Low53 Ų5369.4 Ų69.444%0.43841%0.407SS..Hα-helixtrans-64.4-34.5177.700000112.5A216 I217 S223A216-A220 VanDerWaalsContact O-CB 3.24Å; A216-A220 WeakPolarHBondContact O-CB 3.49Å; A216-A220 PolarHBondContact O-N 3.4Å; I217-A220 PolarHBondContact O-N 3.03Å; A220-S223 PolarHBondContact O-OG 2.85Å; A220-S223 VanDerWaalsContact O-OG 3.1Å
221L54.7Low59.5Low16 Ų1674.7 Ų74.78%0.08442%0.415CS..Hα-helixtrans-82.9-43.6178.4-66.9178.1000112.6I217 K218 T219 S223 K224 W247 L311 I405 L406I217-L221 HydrophobicContact CG2-CD1 3.62Å; I217-L221 HydrophobicContact CG2-CG 4.26Å; I217-L221 VanDerWaalsContact O-CB 3.32Å; I217-L221 WeakPolarHBondContact O-CB 3.38Å; I217-L221 VanDerWaalsContact O-CG 3.22Å; I217-L221 WeakPolarHBondContact O-CG 3.49Å; I217-L221 PolarHBondContact O-N 3.15Å; K218-L221 PolarHBondContact O-N 3.18Å; T219-L221 VanDerWaalsContact C-N 3.3Å; T219-L221 PolarHBondContact O-N 2.99Å; L221-S223 PolarHBondContact O-N 2.96Å; L221-K224 PolarHBondContact O-N 2.86Å; L221-W247 HydrophobicContact CD2-CH2 3.63Å; L221-W247 HydrophobicContact CD2-CZ2 3.4Å; L221-W247 VanDerWaalsContact CD2-CZ2 3.4Å; L221-L311 HydrophobicContact CD1-CD1 4.17Å; L221-L311 HydrophobicContact CD2-CD1 3.79Å; L221-I405 HydrophobicContact CB-CD1 4.48Å; L221-I405 HydrophobicContact CD1-CD1 3.7Å; L221-I405 HydrophobicContact CD1-CG1 4.04Å; L221-L406 HydrophobicContact CD1-CD2 4.03Å
222T57.1Low62Low72 Ų7271.9 Ų71.944%0.44241%0.405SS..Hα-helixtrans-69.5-32.5179.555.10000112.4K218 T219 K224 A225 I405K218-T222 HydrophobicContact CG-CG2 4.15Å; K218-T222 WeakPolarHBondContact O-CB 3.32Å; K218-T222 VanDerWaalsContact O-CG2 3.29Å; K218-T222 WeakPolarHBondContact O-CG2 3.43Å; K218-T222 PolarHBondContact O-N 2.99Å; K218-T222 PolarHBondContact O-OG1 3.38Å; T219-T222 PolarHBondContact O-OG1 3.21Å; T222-K224 PolarHBondContact O-N 2.99Å; T222-K224 VanDerWaalsContact O-N 3.15Å; T222-A225 PolarHBondContact O-N 3.46Å; T222-A225 VanDerWaalsContact O-N 3.17Å; T222-I405 HydrophobicContact CG2-CG2 4.5Å
223S56.8Low64.4Low91 Ų9169 Ų6964%0.63639%0.387SS*.THydrogen-bonded Turntrans-62.5-19.1174.963.10000113.6T219 A220 L221T219-S223 WeakPolarHBondContact O-CB 3.23Å; T219-S223 PolarHBondContact O-N 3.1Å; T219-S223 PolarHBondContact O-OG 2.73Å; A220-S223 PolarHBondContact O-OG 2.85Å; A220-S223 VanDerWaalsContact O-OG 3.1Å; L221-S223 PolarHBondContact O-N 2.96Å
224K59.7Low67Low70 Ų7066.7 Ų66.730%0.30437%0.374SS..THydrogen-bonded Turntrans-79.5-25177.2-69.6-178177.6179.40113L221 T222 K245 E249 L306L221-K224 PolarHBondContact O-N 2.86Å; T222-K224 PolarHBondContact O-N 2.99Å; T222-K224 VanDerWaalsContact O-N 3.15Å; K224-K245 WeakPolarHBondContact O-CD 3.31Å; K224-E249 IonicContact NZ-OE1 3.01Å; K224-E249 PolarHBondContact NZ-OE1 3.39Å; K224-L306 WeakPolarHBondContact O-CD2 3.43Å
225A66.6Low69.4Low35 Ų3568.4 Ų68.429%0.28938%0.38SS..SBendtrans-93.7121.9-170.100000113.3T222 V227 L306T222-A225 PolarHBondContact O-N 3.46Å; T222-A225 VanDerWaalsContact O-N 3.17Å; A225-V227 PolarHBondContact O-N 3.5Å; A225-L306 HydrophobicContact CB-CD1 3.8Å; A225-L306 HydrophobicContact CB-CD2 4.14Å; A225-L306 HydrophobicContact CB-CG 3.78Å
226P75Confident71.5Confident61 Ų6174 Ų7440%0.39640%0.4SS..PPolyproline II helixtrans-58.8132163.6-18.129.9000110.8V228 K245 G305P226-V228 PolarHBondContact O-N 3.38Å; P226-K245 HydrophobicContact CG-CB 4.32Å; P226-G305 VanDerWaalsContact CD-O 3.24Å; P226-G305 WeakPolarHBondContact CD-O 3.35Å
227V80Confident73.7Confident138 Ų13879.2 Ų79.284%0.83641%0.407SS*.PPolyproline II helixtrans-66.2120.3177.7179.80000110.2A225 P229A225-V227 PolarHBondContact O-N 3.5Å; V227-P229 WeakPolarHBondContact O-CD 3.48Å
228V86.9Confident75.6Confident13 Ų1384.1 Ų84.18%0.07943%0.429CS..  trans-95115.6171.7-175.40000109.5P226 R232 R233 Y242 R303P226-V228 PolarHBondContact O-N 3.38Å; V228-R232 HydrophobicContact CG1-CB 4.18Å; V228-R233 HydrophobicContact CB-CG 4.31Å; V228-R233 HydrophobicContact CG1-CG 3.86Å; V228-R233 PolarHBondContact O-NE 2.96Å; V228-Y242 HydrophobicContact CG2-CE2 4.07Å; V228-R303 HydrophobicContact CG1-CB 4.05Å; V228-R303 HydrophobicContact CG2-CB 4.4Å
229P86.3Confident77.5Confident37 Ų3782.1 Ų82.124%0.2442%0.419CS..  trans-57140177.2-24.633.7000111.6V227 Y231 R232 R233V227-P229 WeakPolarHBondContact O-CD 3.48Å; P229-Y231 VanDerWaalsContact C-N 3.3Å; P229-Y231 HydrophobicContact CB-CD1 3.74Å; P229-Y231 HydrophobicContact CB-CE1 3.29Å; P229-Y231 HydrophobicContact CG-CE1 4.17Å; P229-Y231 PolarHBondContact O-N 3.3Å; P229-Y231 VanDerWaalsContact O-N 3.15Å; P229-R232 WeakPolarHBondContact O-CA 3.04Å; P229-R232 PolarHBondContact O-N 3.16Å; P229-R233 PolarHBondContact O-N 2.67Å
230P84.5Confident79.1Confident65 Ų6586.1 Ų86.142%0.42243%0.429SS..G310 helixtrans-48.7-46.1-175.5-30.835.6000114.2R232 R233 P234P230-R232 PolarHBondContact O-N 2.77Å; P230-R232 VanDerWaalsContact O-N 3.08Å; P230-R233 WeakPolarHBondContact O-CB 3.09Å; P230-R233 PolarHBondContact O-N 3.39Å; P230-P234 WeakPolarHBondContact O-CD 3.26Å
231Y87Confident80.9Confident153 Ų15394.5 Ų94.560%0.645%0.449SS*.G310 helixtrans-64.5-13.917970.2-89000115.2P229P229-Y231 VanDerWaalsContact C-N 3.3Å; P229-Y231 HydrophobicContact CB-CD1 3.74Å; P229-Y231 HydrophobicContact CB-CE1 3.29Å; P229-Y231 HydrophobicContact CG-CE1 4.17Å; P229-Y231 PolarHBondContact O-N 3.3Å; P229-Y231 VanDerWaalsContact O-N 3.15Å
232R90.3Very high82.7Confident89 Ų8995.9 Ų95.934%0.33645%0.454SS..G310 helixtrans-104-4.9175-60.7-164.6178170.90.4113.4V228 P229 P230 Y239 R303V228-R232 HydrophobicContact CG1-CB 4.18Å; P229-R232 WeakPolarHBondContact O-CA 3.04Å; P229-R232 PolarHBondContact O-N 3.16Å; P230-R232 PolarHBondContact O-N 2.77Å; P230-R232 VanDerWaalsContact O-N 3.08Å; R232-Y239 HydrophobicContact CB-CD1 3.86Å; R232-Y239 HydrophobicContact CB-CE1 4.03Å; R232-Y239 HydrophobicContact CG-CD1 4.35Å; R232-Y239 HydrophobicContact CG-CE1 4.39Å; R232-Y239 VanDerWaalsContact NH1-CZ 3.29Å; R232-Y239 PolarHBondContact NH1-OH 3.33Å; R232-R303 PolarHBondContact O-NH1 2.98Å
233R89.8Confident84.3Confident82 Ų8299.4 Ų99.431%0.30947%0.47SS..  trans-64.7-48.6179-65-179.3-172168.80112.3V228 P229 P230 W235 G302 R303 D469V228-R233 HydrophobicContact CB-CG 4.31Å; V228-R233 HydrophobicContact CG1-CG 3.86Å; V228-R233 PolarHBondContact O-NE 2.96Å; P229-R233 PolarHBondContact O-N 2.67Å; P230-R233 WeakPolarHBondContact O-CB 3.09Å; P230-R233 PolarHBondContact O-N 3.39Å; R233-W235 PolarHBondContact O-N 3.16Å; R233-G302 CarbonylContact O-C 3.53Å; R233-G302 VanDerWaalsContact O-CA 3.25Å; R233-G302 WeakPolarHBondContact O-CA 3.4Å; R233-R303 PolarHBondContact O-N 3.34Å; R233-D469 PolarHBondContact NH1-O 3.42Å; R233-D469 VanDerWaalsContact NH1-O 3.13Å
234P91.8Very high86.1Confident29 Ų2996.4 Ų96.419%0.18845%0.448CS..SBendtrans-63.2132.4-174.1-23.634.6000112.5P230 K236 R237 R303P230-P234 WeakPolarHBondContact O-CD 3.26Å; P234-K236 PolarHBondContact O-N 3.43Å; P234-R237 HydrophobicContact CB-CG 4.31Å; P234-R237 WeakPolarHBondContact O-CB 3.27Å; P234-R237 PolarHBondContact O-N 3.03Å; P234-R303 PolarHBondContact O-NH1 3.17Å
235W92.9Very high87.6Confident42 Ų4298.4 Ų98.416%0.15946%0.457CS..THydrogen-bonded Turntrans-59.6-30.9-179.3-68.3111.2000113.5R233 R237 Y242 L298 N299 R303 D409R233-W235 PolarHBondContact O-N 3.16Å; W235-R237 PolarHBondContact O-N 2.98Å; W235-Y242 HydrophobicContact CH2-CE1 4.13Å; W235-Y242 HydrophobicContact CZ3-CE1 4.22Å; W235-L298 HydrophobicContact CD2-CB 4.4Å; W235-L298 HydrophobicContact CD2-CD1 4.03Å; W235-L298 HydrophobicContact CE3-CD1 4.18Å; W235-L298 HydrophobicContact CG-CD1 4.37Å; W235-L298 HydrophobicContact CH2-CD2 4.02Å; W235-L298 HydrophobicContact CZ2-CB 4.17Å; W235-L298 HydrophobicContact CZ2-CD2 4.03Å; W235-L298 HydrophobicContact CZ3-CD2 4.39Å; W235-N299 PolarHBondContact NE1-O 3.44Å; W235-R303 HydrophobicContact CD2-CG 4.15Å; W235-R303 HydrophobicContact CE3-CG 3.78Å; W235-R303 HydrophobicContact CH2-CG 3.61Å; W235-R303 HydrophobicContact CZ2-CG 3.97Å; W235-R303 HydrophobicContact CZ3-CG 3.51Å; W235-R303 PolarHBondContact O-NH2 3.35Å; W235-D409 HydrophobicContact CH2-CB 4.03Å; W235-D409 HydrophobicContact CZ2-CB 4.03Å
236K90.5Very high88.7Confident208 Ų208102.4 Ų102.490%0.90447%0.473SS*.THydrogen-bonded Turntrans-61.9-22175.6-64.3178.3-177.7170.90113.2P234P234-K236 PolarHBondContact O-N 3.43Å
237R90.6Very high89.4Confident169 Ų169100.1 Ų100.164%0.63846%0.456SS*.SBendtrans-83.6128174.2-62.5-66.1-174.21770.6109.3P234 W235 Y239 R303P234-R237 HydrophobicContact CB-CG 4.31Å; P234-R237 WeakPolarHBondContact O-CB 3.27Å; P234-R237 PolarHBondContact O-N 3.03Å; W235-R237 PolarHBondContact O-N 2.98Å; R237-Y239 PolarHBondContact O-N 3.24Å; R237-R303 PolarHBondContact O-NH1 2.71Å; R237-R303 PolarHBondContact O-NH2 2.61Å
238Q89.6Confident89.7Confident152 Ų15296.5 Ų96.571%0.7143%0.432SS*.  trans-68.2126.9178.4-169.3167.551.300110.3F240Q238-F240 HydrophobicContact CG-CD1 4.2Å; Q238-F240 HydrophobicContact CG-CD2 3.76Å; Q238-F240 HydrophobicContact CG-CE1 3.95Å; Q238-F240 HydrophobicContact CG-CE2 3.48Å; Q238-F240 VanDerWaalsContact CG-CE2 3.48Å; Q238-F240 HydrophobicContact CG-CG 4.16Å; Q238-F240 HydrophobicContact CG-CZ 3.64Å; Q238-F240 VanDerWaalsContact NE2-CE1 3.27Å; Q238-F240 VanDerWaalsContact OE1-CE2 3.27Å
239Y91.2Very high89.5Confident61 Ų6198.4 Ų98.424%0.23944%0.44CS..  trans-140.476.2177.3-168-175.6000109.8R232 R237 R241 Y242R232-Y239 HydrophobicContact CB-CD1 3.86Å; R232-Y239 HydrophobicContact CB-CE1 4.03Å; R232-Y239 HydrophobicContact CG-CD1 4.35Å; R232-Y239 HydrophobicContact CG-CE1 4.39Å; R232-Y239 VanDerWaalsContact NH1-CZ 3.29Å; R232-Y239 PolarHBondContact NH1-OH 3.33Å; R237-Y239 PolarHBondContact O-N 3.24Å; Y239-R241 VanDerWaalsContact C-N 3.26Å; Y239-R241 HydrophobicContact CE2-CB 4.48Å; Y239-R241 PolarHBondContact O-N 2.85Å; Y239-Y242 AromaticContact CD1-CD2 3.72Å; Y239-Y242 HydrophobicContact CD1-CD2 3.72Å; Y239-Y242 AromaticContact CD1-CG 4Å; Y239-Y242 HydrophobicContact CD1-CG 4Å; Y239-Y242 AromaticContact CE1-CD2 3.64Å; Y239-Y242 HydrophobicContact CE1-CD2 3.64Å; Y239-Y242 HydrophobicContact CE1-CG 4.32Å; Y239-Y242 WeakPolarHBondContact O-CB 3.3Å; Y239-Y242 PolarHBondContact O-N 2.83Å
240F87.5Confident89.2Confident173 Ų17399.8 Ų99.876%0.75945%0.45SS*.THydrogen-bonded Turntrans-58.9-31.3-172.5-65.9-72.3000115.2Q238 Y242Q238-F240 HydrophobicContact CG-CD1 4.2Å; Q238-F240 HydrophobicContact CG-CD2 3.76Å; Q238-F240 HydrophobicContact CG-CE1 3.95Å; Q238-F240 HydrophobicContact CG-CE2 3.48Å; Q238-F240 VanDerWaalsContact CG-CE2 3.48Å; Q238-F240 HydrophobicContact CG-CG 4.16Å; Q238-F240 HydrophobicContact CG-CZ 3.64Å; Q238-F240 VanDerWaalsContact NE2-CE1 3.27Å; Q238-F240 VanDerWaalsContact OE1-CE2 3.27Å; F240-Y242 VanDerWaalsContact C-N 3.3Å
241R89.7Confident88.9Confident229 Ų22999.5 Ų99.586%0.86445%0.45SS*.THydrogen-bonded Turntrans-93.816.2180-62.5-174.2179.9177.7-0.2112.9Y239 N243Y239-R241 VanDerWaalsContact C-N 3.26Å; Y239-R241 HydrophobicContact CE2-CB 4.48Å; Y239-R241 PolarHBondContact O-N 2.85Å; R241-N243 PolarHBondContact O-N 2.76Å
242Y93.2Very high88.2Confident45 Ų4597.5 Ų97.518%0.17644%0.442CS..  trans-69.3112.8178.2-175.4-121.3000110.1V228 W235 Y239 F240 P244 R303 G305 D409V228-Y242 HydrophobicContact CG2-CE2 4.07Å; W235-Y242 HydrophobicContact CH2-CE1 4.13Å; W235-Y242 HydrophobicContact CZ3-CE1 4.22Å; Y239-Y242 AromaticContact CD1-CD2 3.72Å; Y239-Y242 HydrophobicContact CD1-CD2 3.72Å; Y239-Y242 AromaticContact CD1-CG 4Å; Y239-Y242 HydrophobicContact CD1-CG 4Å; Y239-Y242 AromaticContact CE1-CD2 3.64Å; Y239-Y242 HydrophobicContact CE1-CD2 3.64Å; Y239-Y242 HydrophobicContact CE1-CG 4.32Å; Y239-Y242 WeakPolarHBondContact O-CB 3.3Å; Y239-Y242 PolarHBondContact O-N 2.83Å; F240-Y242 VanDerWaalsContact C-N 3.3Å; Y242-P244 HydrophobicContact CD1-CG 4.25Å; Y242-P244 HydrophobicContact CE1-CB 3.98Å; Y242-P244 HydrophobicContact CE1-CG 3.7Å; Y242-P244 HydrophobicContact CE2-CB 4.39Å; Y242-R303 HydrophobicContact CD1-CG 4.2Å; Y242-R303 HydrophobicContact CE1-CB 4.21Å; Y242-R303 HydrophobicContact CE1-CG 3.71Å; Y242-R303 HydrophobicContact CE2-CB 4.02Å; Y242-R303 HydrophobicContact CE2-CG 4.19Å; Y242-G305 VanDerWaalsContact OH-CA 3.31Å; Y242-G305 WeakPolarHBondContact OH-CA 3.45Å; Y242-G305 PolarHBondContact OH-N 3.18Å; Y242-D409 WeakPolarHBondContact CE1-OD2 3.22Å; Y242-D409 PolarHBondContact OH-OD1 3.28Å; Y242-D409 PolarHBondContact OH-OD2 3.46Å
243N91.4Very high87.4Confident145 Ų14595.4 Ų95.478%0.77544%0.435SS*.  trans-12780.9-179.9-173.930.8000109.2R241R241-N243 PolarHBondContact O-N 2.76Å
244P92.7Very high86.7Confident28 Ų28103 Ų10318%0.18246%0.464CS..PPolyproline II helixtrans-66.5144.9-178.327.1-33.2000111.2Y242 L246 G305 T307Y242-P244 HydrophobicContact CD1-CG 4.25Å; Y242-P244 HydrophobicContact CE1-CB 3.98Å; Y242-P244 HydrophobicContact CE1-CG 3.7Å; Y242-P244 HydrophobicContact CE2-CB 4.39Å; P244-L246 PolarHBondContact O-N 3.23Å; P244-G305 CarbonylContact C-O 3.5Å; P244-G305 VanDerWaalsContact CA-O 3.23Å; P244-G305 WeakPolarHBondContact CA-O 3.33Å; P244-G305 WeakPolarHBondContact CB-O 3.36Å; P244-T307 HydrophobicContact CB-CG2 4.23Å; P244-T307 HydrophobicContact CG-CG2 3.97Å
245K91.7Very high86.4Confident113 Ų113107.1 Ų107.149%0.49148%0.481SS..EExtended strand (participates in β ladder)trans-73.4129.3176.7-173.5180-179.4178.10109.6K224 P226 W247 G305 L306 T307K224-K245 WeakPolarHBondContact O-CD 3.31Å; P226-K245 HydrophobicContact CG-CB 4.32Å; K245-W247 PolarHBondContact O-N 2.69Å; K245-G305 PolarHBondContact N-O 2.88Å; K245-L306 HydrophobicContact CB-CD2 4.09Å; K245-L306 CarbonylContact O-C 3.56Å; K245-L306 WeakPolarHBondContact O-CA 3.49Å; K245-T307 PolarHBondContact O-N 3.5Å
246L91Very high86.3Confident118 Ų118106 Ų10662%0.61848%0.479SS*.EExtended strand (participates in β ladder)trans-66.4128.9174.2-178.965.4000110.4P244 T307P244-L246 PolarHBondContact O-N 3.23Å; L246-T307 HydrophobicContact CB-CG2 4.18Å; L246-T307 HydrophobicContact CD1-CG2 4.03Å
247W89.4Confident86.5Confident14 Ų1496.3 Ų96.35%0.05344%0.437CS..EExtended strand (participates in β ladder)trans-137.5109174.3-175.838.8000109.8L221 K245 E249 L306 T307 R309 G310 L311 T408L221-W247 HydrophobicContact CD2-CH2 3.63Å; L221-W247 HydrophobicContact CD2-CZ2 3.4Å; L221-W247 VanDerWaalsContact CD2-CZ2 3.4Å; K245-W247 PolarHBondContact O-N 2.69Å; W247-E249 HydrophobicContact CZ2-CG 4.07Å; W247-E249 PolarHBondContact NE1-OE1 2.83Å; W247-L306 HydrophobicContact CB-CD2 4.4Å; W247-L306 HydrophobicContact CD2-CD1 4.44Å; W247-L306 HydrophobicContact CE3-CD1 3.66Å; W247-L306 HydrophobicContact CZ3-CD1 4.12Å; W247-T307 PolarHBondContact N-O 3.41Å; W247-R309 PolarHBondContact O-N 3.36Å; W247-G310 VanDerWaalsContact CE3-CA 3.42Å; W247-G310 WeakPolarHBondContact O-CA 3.42Å; W247-G310 PolarHBondContact O-N 2.89Å; W247-L311 HydrophobicContact CH2-CB 4.35Å; W247-L311 HydrophobicContact CH2-CD1 4.03Å; W247-L311 HydrophobicContact CH2-CG 4.01Å; W247-L311 HydrophobicContact CZ2-CB 4.4Å; W247-L311 HydrophobicContact CZ2-CD1 3.84Å; W247-L311 HydrophobicContact CZ2-CG 3.65Å; W247-T408 HydrophobicContact CE3-CG2 3.68Å; W247-T408 HydrophobicContact CZ3-CG2 4.11Å
248N86.5Confident86.6Confident62 Ų6290.6 Ų90.633%0.33242%0.422SS..EExtended strand (participates in β ladder)trans-132.9111.3172.9-77.9-32.4000107.1G308 R309N248-G308 WeakPolarHBondContact OD1-CA 2.96Å; N248-R309 PolarHBondContact OD1-N 3.27Å
249E82.8Confident86.8Confident53 Ų5386.6 Ų86.625%0.24841%0.409CS..  trans-90.3163175.9-67.8-71.4168.200111.1K224 W247 G310 L311K224-E249 IonicContact NZ-OE1 3.01Å; K224-E249 PolarHBondContact NZ-OE1 3.39Å; W247-E249 HydrophobicContact CZ2-CG 4.07Å; W247-E249 PolarHBondContact NE1-OE1 2.83Å; E249-G310 PolarHBondContact N-O 2.94Å; E249-G310 VanDerWaalsContact N-O 3.09Å; E249-L311 HydrophobicContact CB-CD2 3.64Å; E249-L311 HydrophobicContact CB-CG 4.23Å; E249-L311 HydrophobicContact CG-CD2 3.66Å; E249-L311 HydrophobicContact CG-CG 3.93Å
250S78.4Confident86.8Confident65 Ų6585.5 Ų85.546%0.45541%0.407SS..  trans-57.8150.8169.759.80000111Y252S250-Y252 WeakPolarHBondContact O-CD2 3.48Å; S250-Y252 WeakPolarHBondContact O-CE2 3.1Å; S250-Y252 PolarHBondContact O-N 2.89Å; S250-Y252 PolarHBondContact OG-OH 3.4Å
251C79.4Confident87Confident60 Ų6080.7 Ų80.741%0.40541%0.406SS..  trans-77.2116-176.9-177.10000111F253 C256C251-F253 PolarHBondContact SG-O 2.77Å; C251-C256 WeakPolarHBondContact CA-SG 3.49Å; C251-C256 HydrophobicContact CB-CB 3.63Å; C251-C256 WeakPolarHBondContact CB-SG 3.45Å; C251-C256 WeakPolarHBondContact SG-CB 3.42Å; C251-C256 PolarHBondContact SG-N 3.45Å; C251-C256 CovalentContact SG-SG 2.02Å; C251-C256 PolarHBondContact SG-SG 3.12Å
252Y71.5Confident87.2Confident111 Ų11172.6 Ų72.644%0.43538%0.382SS..  trans-94.4-4.3174-66.3-81.4000113.8S250 L311S250-Y252 WeakPolarHBondContact O-CD2 3.48Å; S250-Y252 WeakPolarHBondContact O-CE2 3.1Å; S250-Y252 PolarHBondContact O-N 2.89Å; S250-Y252 PolarHBondContact OG-OH 3.4Å; Y252-L311 HydrophobicContact CD2-CD2 3.91Å; Y252-L311 HydrophobicContact CE2-CD2 3.71Å
253F73.2Confident87.2Confident45 Ų4579.5 Ų79.520%0.19742%0.415CS..SBendtrans-96.5165.6178-65.9-99.4000110.3C251 Q255 P313 H352 V508C251-F253 PolarHBondContact SG-O 2.77Å; F253-Q255 PolarHBondContact O-N 2.99Å; F253-Q255 VanDerWaalsContact O-N 3.11Å; F253-P313 HydrophobicContact CB-CB 4.02Å; F253-P313 HydrophobicContact CD1-CB 4.2Å; F253-P313 HydrophobicContact CD1-CG 4Å; F253-P313 HydrophobicContact CD2-CB 3.69Å; F253-P313 HydrophobicContact CD2-CG 3.94Å; F253-P313 HydrophobicContact CE1-CG 4.02Å; F253-P313 HydrophobicContact CE2-CB 4.21Å; F253-P313 HydrophobicContact CE2-CG 3.98Å; F253-P313 HydrophobicContact CG-CB 3.7Å; F253-P313 HydrophobicContact CG-CG 3.96Å; F253-P313 HydrophobicContact CZ-CG 4Å; F253-H352 HydrophobicContact CE1-CB 4.11Å; F253-V508 HydrophobicContact CE2-CG1 3.95Å; F253-V508 HydrophobicContact CZ-CB 4.42Å; F253-V508 HydrophobicContact CZ-CG1 3.85Å; F253-V508 HydrophobicContact CZ-CG2 4.19Å
254R76Confident87.3Confident242 Ų24275.4 Ų75.491%0.91341%0.408SS*.SBendtrans-54.8-32.6174.5-69.9-174.8-175.2159.54.1112.8
255Q84.7Confident87.3Confident115 Ų11575.6 Ų75.654%0.53741%0.406SS..  trans-151.7133.4177.3-169.9-175.326.800108.9F253 R314F253-Q255 PolarHBondContact O-N 2.99Å; F253-Q255 VanDerWaalsContact O-N 3.11Å; Q255-R314 PolarHBondContact O-NH2 2.81Å
256C91Very high87.4Confident18 Ų1877.6 Ų77.612%0.12242%0.417CS..  trans-121.9160.9169.4-560000109.7C251 P313C251-C256 WeakPolarHBondContact CA-SG 3.49Å; C251-C256 HydrophobicContact CB-CB 3.63Å; C251-C256 WeakPolarHBondContact CB-SG 3.45Å; C251-C256 WeakPolarHBondContact SG-CB 3.42Å; C251-C256 PolarHBondContact SG-N 3.45Å; C251-C256 CovalentContact SG-SG 2.02Å; C251-C256 PolarHBondContact SG-SG 3.12Å; C256-P313 CarbonylContact C-O 3.59Å; C256-P313 WeakPolarHBondContact CA-O 3.07Å; C256-P313 WeakPolarHBondContact CB-O 3.5Å
257D94.8Very high87.7Confident4 Ų473 Ų732%0.02139%0.394CS..PPolyproline II helixtrans-67.1130.4169.7-71.5-10000109.7F265 R278 R309 P313 R314 Y315D257-F265 HydrophobicContact CB-CE1 4.17Å; D257-F265 HydrophobicContact CB-CE2 4.23Å; D257-F265 HydrophobicContact CB-CZ 3.57Å; D257-R278 VanDerWaalsContact CG-NH2 3.29Å; D257-R278 IonicContact OD1-CZ 3.71Å; D257-R278 IonicContact OD1-NH1 3.69Å; D257-R278 IonicContact OD1-NH2 2.89Å; D257-R278 PolarHBondContact OD1-NH2 3.11Å; D257-R278 IonicContact OD2-CZ 3.05Å; D257-R278 IonicContact OD2-NH1 2.57Å; D257-R278 PolarHBondContact OD2-NH1 3.49Å; D257-R278 IonicContact OD2-NH2 3.89Å; D257-R278 PolarHBondContact OD2-NH2 3.16Å; D257-R309 PolarHBondContact O-NE 3.3Å; D257-R309 PolarHBondContact O-NH2 2.67Å; D257-R309 VanDerWaalsContact O-NH2 3.14Å; D257-P313 PolarHBondContact N-O 3.39Å; D257-R314 VanDerWaalsContact OD1-CD 3.3Å; D257-R314 WeakPolarHBondContact OD1-CD 3.48Å; D257-R314 IonicContact OD1-CZ 2.82Å; D257-R314 IonicContact OD1-NH1 2.91Å; D257-R314 PolarHBondContact OD1-NH1 2.96Å; D257-R314 WeakPolarHBondContact OD2-CA 3.25Å; D257-Y315 HydrophobicContact CB-CD2 3.8Å; D257-Y315 HydrophobicContact CB-CE2 4.29Å; D257-Y315 PolarHBondContact OD2-N 3.2Å
258P93.4Very high88Confident50 Ų5078.8 Ų78.833%0.32542%0.419SS..PPolyproline II helixtrans-67.2164.9169.232.2-34.6000109.8I260 T262 F265 Y315P258-I260 PolarHBondContact O-N 3.44Å; P258-T262 HydrophobicContact CB-CG2 4.19Å; P258-F265 HydrophobicContact CG-CB 3.7Å; P258-F265 HydrophobicContact CG-CD1 3.69Å; P258-F265 HydrophobicContact CG-CD2 3.79Å; P258-F265 HydrophobicContact CG-CE1 4.23Å; P258-F265 HydrophobicContact CG-CE2 4.35Å; P258-F265 HydrophobicContact CG-CG 3.45Å; P258-F265 VanDerWaalsContact CG-CG 3.45Å; P258-F265 WeakPolarHBondContact O-CD1 3Å; P258-F265 WeakPolarHBondContact O-CE1 3.19Å; P258-Y315 WeakPolarHBondContact O-CE2 3.49Å
259P92.8Very high88.5Confident68 Ų6877.4 Ų77.444%0.44241%0.41SS..PPolyproline II helixtrans-53.5141177.4-25.934.9000112.6G261 T262P259-G261 PolarHBondContact O-N 2.84Å; P259-T262 VanDerWaalsContact O-CB 3.29Å; P259-T262 WeakPolarHBondContact O-CB 3.23Å; P259-T262 PolarHBondContact O-N 2.03Å; P259-T262 PolarHBondContact O-OG1 3.41Å
260I92.7Very high89.2Confident38 Ų3877.3 Ų77.320%0.19541%0.412CS..THydrogen-bonded Turntrans-55.9133.1172.7-61.8-67.6000109.2P258 F265 P267 F269 F296 Y315P258-I260 PolarHBondContact O-N 3.44Å; I260-F265 HydrophobicContact CD1-CD1 4.4Å; I260-F265 HydrophobicContact CD1-CE1 3.73Å; I260-P267 HydrophobicContact CD1-CG 3.87Å; I260-F269 HydrophobicContact CD1-CZ 4.03Å; I260-F296 HydrophobicContact CB-CD1 4.24Å; I260-F296 HydrophobicContact CB-CE1 3.62Å; I260-F296 HydrophobicContact CB-CE2 4.26Å; I260-F296 HydrophobicContact CB-CZ 3.63Å; I260-F296 HydrophobicContact CG1-CD1 3.77Å; I260-F296 HydrophobicContact CG1-CE1 3.55Å; I260-F296 HydrophobicContact CG1-CG 4.47Å; I260-F296 HydrophobicContact CG1-CZ 4.1Å; I260-F296 HydrophobicContact CG2-CD2 4.44Å; I260-F296 HydrophobicContact CG2-CE1 4.23Å; I260-F296 HydrophobicContact CG2-CE2 4.02Å; I260-F296 HydrophobicContact CG2-CZ 3.91Å; I260-Y315 HydrophobicContact CD1-CD2 3.88Å; I260-Y315 HydrophobicContact CD1-CE2 4.14Å; I260-Y315 HydrophobicContact CD1-CG 4.15Å; I260-Y315 HydrophobicContact CG1-CD1 4.21Å; I260-Y315 HydrophobicContact CG1-CD2 3.96Å; I260-Y315 HydrophobicContact CG1-CE1 4.03Å; I260-Y315 HydrophobicContact CG1-CE2 3.77Å; I260-Y315 HydrophobicContact CG1-CG 4.18Å
261G90.4Very high90Very high72 Ų7277.2 Ų77.274%0.74241%0.408SS*.THydrogen-bonded Turntrans94.2-7.4-174.200000114.8P259 H263P259-G261 PolarHBondContact O-N 2.84Å; G261-H263 PolarHBondContact O-N 2.73Å
262T93.9Very high90.7Very high58 Ų5877.8 Ų77.836%0.35641%0.406SS..  trans-60.1131.4170.2-58.20000110P258 P259 G264 F265P258-T262 HydrophobicContact CB-CG2 4.19Å; P259-T262 VanDerWaalsContact O-CB 3.29Å; P259-T262 WeakPolarHBondContact O-CB 3.23Å; P259-T262 PolarHBondContact O-N 2.03Å; P259-T262 PolarHBondContact O-OG1 3.41Å; T262-G264 PolarHBondContact O-N 2.84Å; T262-F265 WeakPolarHBondContact O-CB 3.47Å; T262-F265 PolarHBondContact O-N 3.45Å
263H93.8Very high91.7Very high190 Ų19074.2 Ų74.288%0.8840%0.395SS*.THydrogen-bonded Turntrans-54.1126.8-179.5179.7-88.5000111.7G261 F265G261-H263 PolarHBondContact O-N 2.73Å; H263-F265 VanDerWaalsContact C-N 3.32Å
264G92.3Very high92.5Very high60 Ų6075.5 Ų75.562%0.61942%0.421SS*.THydrogen-bonded Turntrans85.5-7.4-178.100000115T262T262-G264 PolarHBondContact O-N 2.84Å
265F94.6Very high93Very high31 Ų3168.5 Ų68.514%0.13641%0.409CS..  trans-97.798.2175.8-177.9-123.7000111.7D257 P258 I260 T262 H263 P267 Y315D257-F265 HydrophobicContact CB-CE1 4.17Å; D257-F265 HydrophobicContact CB-CE2 4.23Å; D257-F265 HydrophobicContact CB-CZ 3.57Å; P258-F265 HydrophobicContact CG-CB 3.7Å; P258-F265 HydrophobicContact CG-CD1 3.69Å; P258-F265 HydrophobicContact CG-CD2 3.79Å; P258-F265 HydrophobicContact CG-CE1 4.23Å; P258-F265 HydrophobicContact CG-CE2 4.35Å; P258-F265 HydrophobicContact CG-CG 3.45Å; P258-F265 VanDerWaalsContact CG-CG 3.45Å; P258-F265 WeakPolarHBondContact O-CD1 3Å; P258-F265 WeakPolarHBondContact O-CE1 3.19Å; I260-F265 HydrophobicContact CD1-CD1 4.4Å; I260-F265 HydrophobicContact CD1-CE1 3.73Å; T262-F265 WeakPolarHBondContact O-CB 3.47Å; T262-F265 PolarHBondContact O-N 3.45Å; H263-F265 VanDerWaalsContact C-N 3.32Å; F265-P267 HydrophobicContact CE1-CG 3.89Å; F265-P267 HydrophobicContact CE2-CB 3.95Å; F265-P267 HydrophobicContact CE2-CG 4.09Å; F265-P267 HydrophobicContact CZ-CB 3.83Å; F265-P267 HydrophobicContact CZ-CG 3.63Å; F265-Y315 HydrophobicContact CE1-CD2 4.22Å; F265-Y315 HydrophobicContact CE1-CE2 4.43Å; F265-Y315 HydrophobicContact CZ-CD2 4.46Å
266H93.7Very high93.3Very high156 Ų15663.8 Ų63.872%0.72239%0.388SS*.  trans-125.476.3177.8-5897.6000109.5
267P95.7Very high93.5Very high20 Ų2063.4 Ų63.413%0.1338%0.384CS..  trans-62.8136.9-174.726.1-35000111.7I260 F265 F269 D273I260-P267 HydrophobicContact CD1-CG 3.87Å; F265-P267 HydrophobicContact CE1-CG 3.89Å; F265-P267 HydrophobicContact CE2-CB 3.95Å; F265-P267 HydrophobicContact CE2-CG 4.09Å; F265-P267 HydrophobicContact CZ-CB 3.83Å; F265-P267 HydrophobicContact CZ-CG 3.63Å; P267-F269 HydrophobicContact CB-CE1 4.11Å; P267-F269 HydrophobicContact CB-CE2 4.45Å; P267-F269 HydrophobicContact CB-CZ 4Å; P267-F269 HydrophobicContact CG-CE1 4.03Å; P267-F269 HydrophobicContact CG-CE2 3.78Å; P267-F269 HydrophobicContact CG-CZ 3.42Å; P267-F269 VanDerWaalsContact CG-CZ 3.42Å; P267-F269 PolarHBondContact O-N 3.14Å; P267-D273 WeakPolarHBondContact CA-OD2 3.34Å
268K96.9Very high93.5Very high136 Ų13663.5 Ų63.559%0.59138%0.384SS*.  trans-9092.8174.5-61.7-179.5-177.8176.80110.1T271 D273 R278K268-T271 HydrophobicContact CB-CG2 3.51Å; K268-T271 VanDerWaalsContact O-CG2 3.23Å; K268-T271 WeakPolarHBondContact O-CG2 3.31Å; K268-D273 HydrophobicContact CB-CB 4.07Å; K268-D273 PolarHBondContact N-OD2 3.11Å; K268-R278 WeakPolarHBondContact O-CD 3.49Å
269F97Very high93.6Very high33 Ų3364 Ų6415%0.14538%0.381CS..THydrogen-bonded Turntrans-66.9159178.3-64.9-57.7000113.4I260 P267 T271 Y290 V292 G295 P297I260-F269 HydrophobicContact CD1-CZ 4.03Å; P267-F269 HydrophobicContact CB-CE1 4.11Å; P267-F269 HydrophobicContact CB-CE2 4.45Å; P267-F269 HydrophobicContact CB-CZ 4Å; P267-F269 HydrophobicContact CG-CE1 4.03Å; P267-F269 HydrophobicContact CG-CE2 3.78Å; P267-F269 HydrophobicContact CG-CZ 3.42Å; P267-F269 VanDerWaalsContact CG-CZ 3.42Å; P267-F269 PolarHBondContact O-N 3.14Å; F269-T271 PolarHBondContact O-N 3.38Å; F269-T271 VanDerWaalsContact O-N 3.11Å; F269-Y290 HydrophobicContact CB-CE2 3.74Å; F269-Y290 HydrophobicContact CD1-CE2 4.02Å; F269-Y290 HydrophobicContact CG-CE2 4.08Å; F269-V292 HydrophobicContact CB-CG2 3.63Å; F269-V292 HydrophobicContact CD2-CB 4.43Å; F269-V292 HydrophobicContact CD2-CG1 3.77Å; F269-V292 HydrophobicContact CD2-CG2 3.71Å; F269-V292 HydrophobicContact CE2-CG1 4.15Å; F269-V292 HydrophobicContact CG-CG2 3.84Å; F269-G295 VanDerWaalsContact CE2-O 3.29Å; F269-G295 WeakPolarHBondContact CE2-O 3.22Å; F269-P297 HydrophobicContact CD1-CB 4.19Å; F269-P297 HydrophobicContact CD1-CG 4.24Å; F269-P297 HydrophobicContact CE1-CB 4.18Å; F269-P297 HydrophobicContact CE1-CG 3.75Å; F269-P297 HydrophobicContact CZ-CG 4.08Å
270N96.3Very high93.7Very high52 Ų5261 Ų6128%0.27836%0.361SS..THydrogen-bonded Turntrans5521.4-177.3-66.9-67000114.9T289 Y290N270-T289 WeakPolarHBondContact OD1-CA 3.29Å; N270-Y290 PolarHBondContact N-OH 3.38Å; N270-Y290 PolarHBondContact ND2-O 3.33Å; N270-Y290 VanDerWaalsContact OD1-CD1 3.32Å; N270-Y290 WeakPolarHBondContact OD1-CD1 3.42Å; N270-Y290 WeakPolarHBondContact OD1-CE1 3.39Å; N270-Y290 PolarHBondContact OD1-N 3.08Å
271T95.6Very high93.6Very high62 Ų6259.5 Ų59.538%0.3835%0.353SS..SBendtrans-144.4179.2176.3-1690000111.5K268 F269 R278K268-T271 HydrophobicContact CB-CG2 3.51Å; K268-T271 VanDerWaalsContact O-CG2 3.23Å; K268-T271 WeakPolarHBondContact O-CG2 3.31Å; F269-T271 PolarHBondContact O-N 3.38Å; F269-T271 VanDerWaalsContact O-N 3.11Å; T271-R278 CarbonylContact O-C 3.58Å; T271-R278 WeakPolarHBondContact O-CA 3.21Å; T271-R278 WeakPolarHBondContact O-CB 3.12Å; T271-R278 PolarHBondContact O-N 3.4Å
272I94.1Very high93.3Very high72 Ų7259.7 Ų59.737%0.36934%0.337SS..EExtended strand (participates in β ladder)trans-84.8115.6168.2-58.2174.1000107.2Y277 K279I272-Y277 HydrophobicContact CD1-CD2 3.91Å; I272-Y277 HydrophobicContact CD1-CE2 3.83Å; I272-Y277 HydrophobicContact CG1-CD2 3.67Å; I272-Y277 HydrophobicContact CG1-CE2 3.84Å; I272-Y277 HydrophobicContact CG1-CG 4.49Å; I272-K279 HydrophobicContact CG1-CD 4.34Å
273D93.4Very high92.5Very high37 Ų3757 Ų5720%0.19832%0.321CS..EExtended strand (participates in β ladder)trans-10888.9-175.1-173.424.7000109.9P267 K268 S275 V276 R278P267-D273 WeakPolarHBondContact CA-OD2 3.34Å; K268-D273 HydrophobicContact CB-CB 4.07Å; K268-D273 PolarHBondContact N-OD2 3.11Å; D273-S275 PolarHBondContact O-N 2.89Å; D273-V276 PolarHBondContact N-O 3.21Å; D273-V276 PolarHBondContact O-N 2.92Å; D273-R278 HydrophobicContact CB-CG 4.21Å; D273-R278 IonicContact OD2-CZ 2.85Å; D273-R278 IonicContact OD2-NE 2.83Å; D273-R278 PolarHBondContact OD2-NE 3.01Å; D273-R278 IonicContact OD2-NH2 3.81Å
274G89.9Confident91.4Very high71 Ų7149.7 Ų49.773%0.73229%0.291SS*.THydrogen-bonded Turntrans64.1-116.9-170.800000111.1
275S86.6Confident90.2Very high95 Ų9551 Ų5166%0.66431%0.305SS*.THydrogen-bonded Turntrans-91.2-1.4176.158.50000113.9D273D273-S275 PolarHBondContact O-N 2.89Å
276V91Very high89.1Confident16 Ų1655.6 Ų55.610%0.09733%0.326CS..EExtended strand (participates in β ladder)trans-100.6118.5-177.1-174.30000109.7D273 R278 R314D273-V276 PolarHBondContact N-O 3.21Å; D273-V276 PolarHBondContact O-N 2.92Å; V276-R278 HydrophobicContact CB-CG 4.41Å; V276-R278 HydrophobicContact CG1-CG 3.77Å; V276-R278 PolarHBondContact O-N 3.48Å; V276-R314 HydrophobicContact CG1-CG 4.12Å
277Y94.2Very high88.4Confident11 Ų1154.3 Ų54.34%0.04333%0.325CS..EExtended strand (participates in β ladder)trans-80.7104.1173.5-163.6-83.8000109.3I272 K279 H319 C354 N355 P356 E357I272-Y277 HydrophobicContact CD1-CD2 3.91Å; I272-Y277 HydrophobicContact CD1-CE2 3.83Å; I272-Y277 HydrophobicContact CG1-CD2 3.67Å; I272-Y277 HydrophobicContact CG1-CE2 3.84Å; I272-Y277 HydrophobicContact CG1-CG 4.49Å; Y277-K279 HydrophobicContact CD1-CB 4.18Å; Y277-K279 HydrophobicContact CE1-CB 3.55Å; Y277-K279 HydrophobicContact CE1-CD 4.5Å; Y277-K279 HydrophobicContact CE1-CG 4.37Å; Y277-K279 WeakPolarHBondContact CE1-O 3.49Å; Y277-K279 HydrophobicContact CE2-CD 4.43Å; Y277-H319 AromaticContact CD1-CD2 3.88Å; Y277-H319 AromaticContact CD1-NE2 3.42Å; Y277-H319 WeakPolarHBondContact CD1-NE2 3.48Å; Y277-H319 PolarHBondContact O-CD2 3.22Å; Y277-H319 PolarHBondContact O-NE2 3.31Å; Y277-C354 WeakPolarHBondContact CB-O 3.23Å; Y277-N355 VanDerWaalsContact CD2-OD1 3.23Å; Y277-N355 WeakPolarHBondContact CD2-OD1 3.42Å; Y277-P356 HydrophobicContact CD1-CG 3.54Å; Y277-P356 HydrophobicContact CD2-CG 4.29Å; Y277-P356 HydrophobicContact CE1-CG 3.57Å; Y277-P356 HydrophobicContact CE2-CG 4.36Å; Y277-P356 HydrophobicContact CG-CG 3.9Å; Y277-E357 HydrophobicContact CE2-CB 4.22Å; Y277-E357 VanDerWaalsContact CE2-CD 3.44Å; Y277-E357 HydrophobicContact CE2-CG 3.6Å; Y277-E357 WeakPolarHBondContact CE2-OE1 2.99Å; Y277-E357 PolarHBondContact OH-OE1 2.83Å
278R96Very high88.1Confident6 Ų655.3 Ų55.32%0.02333%0.329CS..  trans-102.69.3-178.7-57-177.1177.4-74.6-4.7112.9D257 K268 T271 D273 V276 Y290 Y315D257-R278 VanDerWaalsContact CG-NH2 3.29Å; D257-R278 IonicContact OD1-CZ 3.71Å; D257-R278 IonicContact OD1-NH1 3.69Å; D257-R278 IonicContact OD1-NH2 2.89Å; D257-R278 PolarHBondContact OD1-NH2 3.11Å; D257-R278 IonicContact OD2-CZ 3.05Å; D257-R278 IonicContact OD2-NH1 2.57Å; D257-R278 PolarHBondContact OD2-NH1 3.49Å; D257-R278 IonicContact OD2-NH2 3.89Å; D257-R278 PolarHBondContact OD2-NH2 3.16Å; K268-R278 WeakPolarHBondContact O-CD 3.49Å; T271-R278 CarbonylContact O-C 3.58Å; T271-R278 WeakPolarHBondContact O-CA 3.21Å; T271-R278 WeakPolarHBondContact O-CB 3.12Å; T271-R278 PolarHBondContact O-N 3.4Å; D273-R278 HydrophobicContact CB-CG 4.21Å; D273-R278 IonicContact OD2-CZ 2.85Å; D273-R278 IonicContact OD2-NE 2.83Å; D273-R278 PolarHBondContact OD2-NE 3.01Å; D273-R278 IonicContact OD2-NH2 3.81Å; V276-R278 HydrophobicContact CB-CG 4.41Å; V276-R278 HydrophobicContact CG1-CG 3.77Å; V276-R278 PolarHBondContact O-N 3.48Å; R278-Y290 WeakPolarHBondContact O-CE1 3.39Å; R278-Y290 VanDerWaalsContact O-CZ 3.29Å; R278-Y290 PolarHBondContact O-OH 3.1Å; R278-Y315 PolarHBondContact NH1-O 3.26Å
279K95.6Very high87.9Confident61 Ų6153.8 Ų53.827%0.26533%0.331SS..SBendtrans-83151.9175.8-59.117162.2-168.80110.1I272 Y277 H319 E357I272-K279 HydrophobicContact CG1-CD 4.34Å; Y277-K279 HydrophobicContact CD1-CB 4.18Å; Y277-K279 HydrophobicContact CE1-CB 3.55Å; Y277-K279 HydrophobicContact CE1-CD 4.5Å; Y277-K279 HydrophobicContact CE1-CG 4.37Å; Y277-K279 WeakPolarHBondContact CE1-O 3.49Å; Y277-K279 HydrophobicContact CE2-CD 4.43Å; K279-H319 PolarHBondContact O-CE1 2.78Å; K279-H319 PolarHBondContact O-NE2 3.03Å; K279-E357 IonicContact NZ-OE1 3.39Å
280R94.4Very high87.8Confident5 Ų552.7 Ų52.72%0.01933%0.326CS..PPolyproline II helixtrans-58.3151.3164.1-63.5-73.3-52.3-160-1.6109.8L288 Y290 P300 S401 W412 E414 S474R280-L288 HydrophobicContact CB-CB 3.7Å; R280-L288 WeakPolarHBondContact CB-O 3.42Å; R280-L288 HydrophobicContact CG-CB 3.9Å; R280-Y290 HydrophobicContact CG-CD1 3.78Å; R280-Y290 HydrophobicContact CG-CE1 4.42Å; R280-P300 VanDerWaalsContact NH1-CD 3.32Å; R280-S401 VanDerWaalsContact NH2-CB 3.31Å; R280-S401 PolarHBondContact NH2-OG 2.91Å; R280-W412 VanDerWaalsContact NH1-NE1 3.12Å; R280-E414 WeakPolarHBondContact CD-OE1 3.35Å; R280-E414 IonicContact CZ-OE1 3.27Å; R280-E414 IonicContact NE-OE1 2.7Å; R280-E414 PolarHBondContact NE-OE1 3.17Å; R280-E414 IonicContact NE-OE2 2.77Å; R280-E414 IonicContact NH1-OE1 3.33Å; R280-E414 PolarHBondContact NH1-OE1 3.32Å; R280-E414 IonicContact NH2-OE1 3.07Å; R280-S474 PolarHBondContact NH2-OG 3.13Å
281L90.8Very high87.9Confident5 Ų554.9 Ų54.93%0.02633%0.334CS..PPolyproline II helixtrans-62139.5163.9-66.6178.8000109.6C283 P356 E414 E416L281-C283 PolarHBondContact O-N 3.25Å; L281-P356 HydrophobicContact CD2-CB 3.63Å; L281-P356 HydrophobicContact CD2-CG 3.82Å; L281-E414 VanDerWaalsContact CB-OE2 3.27Å; L281-E414 WeakPolarHBondContact CB-OE2 3.4Å; L281-E414 HydrophobicContact CD1-CB 3.63Å; L281-E414 HydrophobicContact CG-CB 3.88Å; L281-E414 VanDerWaalsContact CG-OE2 3.32Å; L281-E414 WeakPolarHBondContact CG-OE2 3.28Å; L281-E414 PolarHBondContact N-OE2 3.48Å; L281-E416 HydrophobicContact CD1-CG 3.45Å; L281-E416 VanDerWaalsContact CD1-CG 3.45Å; L281-E416 HydrophobicContact CD2-CG 3.93Å; L281-E416 HydrophobicContact CG-CG 4.29Å
282N83.1Confident87.9Confident76 Ų7654.9 Ų54.941%0.40633%0.334SS..  trans-70.8114.7167.6-68.5-3.6000108.6N287 K396N282-N287 PolarHBondContact ND2-OD1 2.82Å; N282-N287 PolarHBondContact OD1-OD1 2.9Å; N282-K396 PolarHBondContact O-NZ 2.78Å; N282-K396 VanDerWaalsContact O-NZ 3.11Å
283C77.1Confident87.9Confident2 Ų255.9 Ų55.91%0.01433%0.333CS..BIsolated β-bridgetrans-138.2168.4168.563.90000108.3L281 G285 E286 L288 G399 S474 E478L281-C283 PolarHBondContact O-N 3.25Å; C283-G285 PolarHBondContact O-N 3.49Å; C283-E286 PolarHBondContact O-N 2.75Å; C283-E286 VanDerWaalsContact O-N 3.13Å; C283-L288 WeakPolarHBondContact SG-CD1 3.37Å; C283-G399 WeakPolarHBondContact CB-O 3.36Å; C283-S474 WeakPolarHBondContact SG-CB 3.47Å; C283-S474 PolarHBondContact SG-OG 2.99Å; C283-E478 HydrophobicContact CB-CG 4.21Å
284C71Confident87.9Confident37 Ų3761.2 Ų61.225%0.2536%0.362CS..THydrogen-bonded Turntrans60.411.5-179.7-49.10000116.6E286 C477C284-E286 PolarHBondContact O-N 3.43Å; C284-C477 HydrophobicContact CB-CB 4.34Å; C284-C477 WeakPolarHBondContact CB-SG 3.22Å; C284-C477 VanDerWaalsContact SG-C 3.57Å; C284-C477 WeakPolarHBondContact SG-CB 3.31Å; C284-C477 CovalentContact SG-SG 2.01Å; C284-C477 PolarHBondContact SG-SG 3.24Å
285G67.4Low88.1Confident88 Ų8859.5 Ų59.591%0.90735%0.345SS*.THydrogen-bonded Turntrans72.210.6-174.300000114.2C283C283-G285 PolarHBondContact O-N 3.49Å
286E71.8Confident88.5Confident127 Ų12757.9 Ų57.959%0.59333%0.325SS*.BIsolated β-bridgetrans-114.5145.6-178.6-65-176.1177.500111C283 C284 L288C283-E286 PolarHBondContact O-N 2.75Å; C283-E286 VanDerWaalsContact O-N 3.13Å; C284-E286 PolarHBondContact O-N 3.43Å; E286-L288 HydrophobicContact CB-CD2 4.09Å; E286-L288 PolarHBondContact O-N 3.21Å; E286-L288 VanDerWaalsContact O-N 3.17Å
287N78.9Confident88.9Confident129 Ų12957.1 Ų57.169%0.6932%0.321SS*.  trans-80.591.4165.8-77.7-28.2000107.8N282N282-N287 PolarHBondContact ND2-OD1 2.82Å; N282-N287 PolarHBondContact OD1-OD1 2.9Å
288L88.7Confident89Confident40 Ų4057.1 Ų57.121%0.20932%0.322CS..  trans-68.4145.2-179.6-62.2179.9000111.3R280 C283 E286R280-L288 HydrophobicContact CB-CB 3.7Å; R280-L288 WeakPolarHBondContact CB-O 3.42Å; R280-L288 HydrophobicContact CG-CB 3.9Å; C283-L288 WeakPolarHBondContact SG-CD1 3.37Å; E286-L288 HydrophobicContact CB-CD2 4.09Å; E286-L288 PolarHBondContact O-N 3.21Å; E286-L288 VanDerWaalsContact O-N 3.17Å
289T93.7Very high89Confident104 Ų10456.9 Ų56.964%0.63832%0.321SS*.  trans-131.9163.9172.957.30000109.6N270N270-T289 WeakPolarHBondContact OD1-CA 3.29Å
290Y95Very high88.9Confident11 Ų1155.8 Ų55.84%0.04332%0.32CS..  trans-122.4150.3172.952.6-96.6000110.9F269 N270 R278 R280 V292 P297 P317 W412F269-Y290 HydrophobicContact CB-CE2 3.74Å; F269-Y290 HydrophobicContact CD1-CE2 4.02Å; F269-Y290 HydrophobicContact CG-CE2 4.08Å; N270-Y290 PolarHBondContact N-OH 3.38Å; N270-Y290 PolarHBondContact ND2-O 3.33Å; N270-Y290 VanDerWaalsContact OD1-CD1 3.32Å; N270-Y290 WeakPolarHBondContact OD1-CD1 3.42Å; N270-Y290 WeakPolarHBondContact OD1-CE1 3.39Å; N270-Y290 PolarHBondContact OD1-N 3.08Å; R278-Y290 WeakPolarHBondContact O-CE1 3.39Å; R278-Y290 VanDerWaalsContact O-CZ 3.29Å; R278-Y290 PolarHBondContact O-OH 3.1Å; R280-Y290 HydrophobicContact CG-CD1 3.78Å; R280-Y290 HydrophobicContact CG-CE1 4.42Å; Y290-V292 HydrophobicContact CD2-CG2 4.19Å; Y290-V292 HydrophobicContact CE2-CG2 4.06Å; Y290-P297 HydrophobicContact CD2-CB 3.59Å; Y290-P297 HydrophobicContact CE2-CB 3.43Å; Y290-P297 VanDerWaalsContact CE2-CB 3.43Å; Y290-P317 HydrophobicContact CE1-CG 4.06Å; Y290-W412 AromaticContact CD1-CH2 3.76Å; Y290-W412 HydrophobicContact CD1-CH2 3.76Å; Y290-W412 AromaticContact CD1-CZ2 3.57Å; Y290-W412 HydrophobicContact CD1-CZ2 3.57Å; Y290-W412 AromaticContact CD2-CH2 3.92Å; Y290-W412 HydrophobicContact CD2-CH2 3.92Å; Y290-W412 HydrophobicContact CE1-CH2 4.31Å; Y290-W412 HydrophobicContact CE1-CZ2 4.13Å; Y290-W412 HydrophobicContact CE2-CH2 4.43Å; Y290-W412 AromaticContact CG-CH2 3.55Å; Y290-W412 HydrophobicContact CG-CH2 3.55Å; Y290-W412 AromaticContact CG-CZ2 3.82Å; Y290-W412 HydrophobicContact CG-CZ2 3.82Å
291E96.6Very high88.7Confident97 Ų9755.9 Ų55.945%0.45332%0.322SS..  trans-69.2144.1175.6-169.9-176.9152.300110.1R293 P297 L298E291-R293 IonicContact OE1-CZ 2.77Å; E291-R293 VanDerWaalsContact OE1-CZ 3.27Å; E291-R293 IonicContact OE1-NE 3.87Å; E291-R293 PolarHBondContact OE1-NE 2.88Å; E291-R293 IonicContact OE1-NH2 3.1Å; E291-R293 PolarHBondContact OE1-NH2 3.04Å; E291-R293 IonicContact OE2-NH2 3.84Å; E291-R293 PolarHBondContact OE2-NH2 3.15Å; E291-P297 CarbonylContact O-C 3.5Å; E291-P297 WeakPolarHBondContact O-CA 3.29Å; E291-L298 HydrophobicContact CB-CB 4.4Å; E291-L298 HydrophobicContact CB-CD1 4.28Å; E291-L298 HydrophobicContact CG-CD1 4.22Å; E291-L298 PolarHBondContact O-N 3.38Å
292V97Very high88.8Confident62 Ų6255.7 Ų55.738%0.37632%0.321SS..EExtended strand (participates in β ladder)trans-117.3124.5169.1179.20000107.5F269 Y290 F296F269-V292 HydrophobicContact CB-CG2 3.63Å; F269-V292 HydrophobicContact CD2-CB 4.43Å; F269-V292 HydrophobicContact CD2-CG1 3.77Å; F269-V292 HydrophobicContact CD2-CG2 3.71Å; F269-V292 HydrophobicContact CE2-CG1 4.15Å; F269-V292 HydrophobicContact CG-CG2 3.84Å; Y290-V292 HydrophobicContact CD2-CG2 4.19Å; Y290-V292 HydrophobicContact CE2-CG2 4.06Å; V292-F296 CarbonylContact C-O 3.57Å; V292-F296 VanDerWaalsContact CA-O 3.27Å; V292-F296 WeakPolarHBondContact CA-O 3.42Å
293R94.7Very high89.3Confident93 Ų9352.9 Ų52.935%0.35131%0.305SS..EExtended strand (participates in β ladder)trans-130129.3-179.4-169.4-178.4-61.7158.21.1109.4E291 G295 F296 L298E291-R293 IonicContact OE1-CZ 2.77Å; E291-R293 VanDerWaalsContact OE1-CZ 3.27Å; E291-R293 IonicContact OE1-NE 3.87Å; E291-R293 PolarHBondContact OE1-NE 2.88Å; E291-R293 IonicContact OE1-NH2 3.1Å; E291-R293 PolarHBondContact OE1-NH2 3.04Å; E291-R293 IonicContact OE2-NH2 3.84Å; E291-R293 PolarHBondContact OE2-NH2 3.15Å; R293-G295 PolarHBondContact O-N 3.5Å; R293-G295 VanDerWaalsContact O-N 3.1Å; R293-F296 PolarHBondContact N-O 3.23Å; R293-F296 PolarHBondContact O-N 3.43Å; R293-L298 HydrophobicContact CB-CD1 3.96Å; R293-L298 HydrophobicContact CB-CD2 4.39Å; R293-L298 HydrophobicContact CB-CG 4.21Å
294D91.8Very high90Very high149 Ų14954.3 Ų54.380%0.79731%0.313SS*.THydrogen-bonded Turntrans52.533-179.7-52-40.8000114F296D294-F296 VanDerWaalsContact C-N 3.31Å; D294-F296 WeakPolarHBondContact O-CD2 3.49Å; D294-F296 PolarHBondContact O-N 2.99Å
295G94Very high91Very high36 Ų3652.6 Ų52.637%0.37130%0.302SS..THydrogen-bonded Turntrans82.50.4-177.700000115.1F269 R293F269-G295 VanDerWaalsContact CE2-O 3.29Å; F269-G295 WeakPolarHBondContact CE2-O 3.22Å; R293-G295 PolarHBondContact O-N 3.5Å; R293-G295 VanDerWaalsContact O-N 3.1Å
296F96.5Very high92.2Very high60 Ų6048.7 Ų48.726%0.26326%0.26SS..EExtended strand (participates in β ladder)trans-106.1136.1176.7-66.5-90.6000111.5I260 V292 R293 D294 Y315 N410I260-F296 HydrophobicContact CB-CD1 4.24Å; I260-F296 HydrophobicContact CB-CE1 3.62Å; I260-F296 HydrophobicContact CB-CE2 4.26Å; I260-F296 HydrophobicContact CB-CZ 3.63Å; I260-F296 HydrophobicContact CG1-CD1 3.77Å; I260-F296 HydrophobicContact CG1-CE1 3.55Å; I260-F296 HydrophobicContact CG1-CG 4.47Å; I260-F296 HydrophobicContact CG1-CZ 4.1Å; I260-F296 HydrophobicContact CG2-CD2 4.44Å; I260-F296 HydrophobicContact CG2-CE1 4.23Å; I260-F296 HydrophobicContact CG2-CE2 4.02Å; I260-F296 HydrophobicContact CG2-CZ 3.91Å; V292-F296 CarbonylContact C-O 3.57Å; V292-F296 VanDerWaalsContact CA-O 3.27Å; V292-F296 WeakPolarHBondContact CA-O 3.42Å; R293-F296 PolarHBondContact N-O 3.23Å; R293-F296 PolarHBondContact O-N 3.43Å; D294-F296 VanDerWaalsContact C-N 3.31Å; D294-F296 WeakPolarHBondContact O-CD2 3.49Å; D294-F296 PolarHBondContact O-N 2.99Å; F296-Y315 HydrophobicContact CD1-CD1 4.43Å; F296-Y315 HydrophobicContact CD1-CE1 4.11Å; F296-Y315 HydrophobicContact CE1-CE1 4.09Å; F296-N410 HydrophobicContact CB-CB 4.4Å; F296-N410 WeakPolarHBondContact CB-OD1 3.42Å; F296-N410 HydrophobicContact CD1-CB 4.2Å
297P98Very high93.3Very high0 Ų044.2 Ų44.20%024%0.242CC..EExtended strand (participates in β ladder)trans-71141.6168.332.2-33000109.3F269 Y290 E291 G316 N410 W412F269-P297 HydrophobicContact CD1-CB 4.19Å; F269-P297 HydrophobicContact CD1-CG 4.24Å; F269-P297 HydrophobicContact CE1-CB 4.18Å; F269-P297 HydrophobicContact CE1-CG 3.75Å; F269-P297 HydrophobicContact CZ-CG 4.08Å; Y290-P297 HydrophobicContact CD2-CB 3.59Å; Y290-P297 HydrophobicContact CE2-CB 3.43Å; Y290-P297 VanDerWaalsContact CE2-CB 3.43Å; E291-P297 CarbonylContact O-C 3.5Å; E291-P297 WeakPolarHBondContact O-CA 3.29Å; P297-G316 VanDerWaalsContact CG-N 3.29Å; P297-N410 HydrophobicContact CG-CB 4.33Å; P297-N410 WeakPolarHBondContact CG-O 3.35Å; P297-N410 WeakPolarHBondContact O-CA 3.32Å; P297-N410 WeakPolarHBondContact O-CB 3.29Å; P297-N410 PolarHBondContact O-OD1 3.28Å; P297-W412 HydrophobicContact CB-CH2 4.15Å; P297-W412 HydrophobicContact CB-CZ3 4.22Å
298L97.1Very high93.9Very high11 Ų1138.1 Ų38.16%0.05821%0.209CC..PPolyproline II helixtrans-100.8131.2176.8-60-174000110.4W235 E291 R293 P300 D409W235-L298 HydrophobicContact CD2-CB 4.4Å; W235-L298 HydrophobicContact CD2-CD1 4.03Å; W235-L298 HydrophobicContact CE3-CD1 4.18Å; W235-L298 HydrophobicContact CG-CD1 4.37Å; W235-L298 HydrophobicContact CH2-CD2 4.02Å; W235-L298 HydrophobicContact CZ2-CB 4.17Å; W235-L298 HydrophobicContact CZ2-CD2 4.03Å; W235-L298 HydrophobicContact CZ3-CD2 4.39Å; E291-L298 HydrophobicContact CB-CB 4.4Å; E291-L298 HydrophobicContact CB-CD1 4.28Å; E291-L298 HydrophobicContact CG-CD1 4.22Å; E291-L298 PolarHBondContact O-N 3.38Å; R293-L298 HydrophobicContact CB-CD1 3.96Å; R293-L298 HydrophobicContact CB-CD2 4.39Å; R293-L298 HydrophobicContact CB-CG 4.21Å; L298-P300 WeakPolarHBondContact O-CD 3.25Å; L298-D409 CarbonylContact C-O 3.46Å; L298-D409 WeakPolarHBondContact CA-O 3.25Å
299N95.8Very high94.1Very high1 Ų137 Ų371%0.00520%0.202CC..PPolyproline II helixtrans-57.9117.4177.8-176.2-14.6000110.2W235 A301 G302 T408 D409 W412W235-N299 PolarHBondContact NE1-O 3.44Å; N299-A301 PolarHBondContact O-N 2.92Å; N299-A301 VanDerWaalsContact O-N 3.14Å; N299-A301 WeakPolarHBondContact OD1-CB 3.08Å; N299-A301 PolarHBondContact OD1-N 2.68Å; N299-G302 PolarHBondContact O-N 3.11Å; N299-T408 WeakPolarHBondContact CB-O 3.16Å; N299-T408 PolarHBondContact ND2-O 3.49Å; N299-D409 PolarHBondContact N-O 3.33Å; N299-W412 VanDerWaalsContact CA-CE3 3.44Å; N299-W412 VanDerWaalsContact CA-CZ3 3.49Å; N299-W412 HydrophobicContact CB-CD2 4.43Å; N299-W412 HydrophobicContact CB-CE3 3.78Å; N299-W412 HydrophobicContact CB-CZ3 4.27Å
300P93.7Very high94Very high39 Ų3932 Ų3225%0.25317%0.172SC..THydrogen-bonded Turntrans-62-23-177.9-31.243.3000114.2R280 L298 G302 W412R280-P300 VanDerWaalsContact NH1-CD 3.32Å; L298-P300 WeakPolarHBondContact O-CD 3.25Å; P300-G302 PolarHBondContact O-N 3.45Å; P300-W412 VanDerWaalsContact CD-CZ2 3.48Å; P300-W412 HydrophobicContact CG-CH2 4.36Å; P300-W412 HydrophobicContact CG-CZ2 4.04Å
301A90.4Very high93.6Very high7 Ų733 Ų336%0.05818%0.177CC..THydrogen-bonded Turntrans-74-7.7173.700000113.6N299 E472 Y473N299-A301 PolarHBondContact O-N 2.92Å; N299-A301 VanDerWaalsContact O-N 3.14Å; N299-A301 WeakPolarHBondContact OD1-CB 3.08Å; N299-A301 PolarHBondContact OD1-N 2.68Å; A301-E472 HydrophobicContact CB-CB 4.43Å; A301-Y473 HydrophobicContact CB-CD1 3.73Å; A301-Y473 HydrophobicContact CB-CD2 4.26Å; A301-Y473 HydrophobicContact CB-CE1 3.41Å; A301-Y473 VanDerWaalsContact CB-CE1 3.41Å; A301-Y473 HydrophobicContact CB-CE2 4Å; A301-Y473 HydrophobicContact CB-CG 4.15Å
302G92.9Very high93.3Very high1 Ų128.3 Ų28.31%0.0116%0.156CC..  trans107.2-166.6177.400000114.4R233 N299 P300R233-G302 CarbonylContact O-C 3.53Å; R233-G302 VanDerWaalsContact O-CA 3.25Å; R233-G302 WeakPolarHBondContact O-CA 3.4Å; N299-G302 PolarHBondContact O-N 3.11Å; P300-G302 PolarHBondContact O-N 3.45Å
303R93.9Very high92.9Very high17 Ų1725.5 Ų25.56%0.06414%0.139CC..  trans-69.3134.5178.8-67178.3-171.989.43.6111.5V228 R232 R233 P234 W235 R237 Y242V228-R303 HydrophobicContact CG1-CB 4.05Å; V228-R303 HydrophobicContact CG2-CB 4.4Å; R232-R303 PolarHBondContact O-NH1 2.98Å; R233-R303 PolarHBondContact O-N 3.34Å; P234-R303 PolarHBondContact O-NH1 3.17Å; W235-R303 HydrophobicContact CD2-CG 4.15Å; W235-R303 HydrophobicContact CE3-CG 3.78Å; W235-R303 HydrophobicContact CH2-CG 3.61Å; W235-R303 HydrophobicContact CZ2-CG 3.97Å; W235-R303 HydrophobicContact CZ3-CG 3.51Å; W235-R303 PolarHBondContact O-NH2 3.35Å; R237-R303 PolarHBondContact O-NH1 2.71Å; R237-R303 PolarHBondContact O-NH2 2.61Å; Y242-R303 HydrophobicContact CD1-CG 4.2Å; Y242-R303 HydrophobicContact CE1-CB 4.21Å; Y242-R303 HydrophobicContact CE1-CG 3.71Å; Y242-R303 HydrophobicContact CE2-CB 4.02Å; Y242-R303 HydrophobicContact CE2-CG 4.19Å
304T91.1Very high93Very high31 Ų3122.3 Ų22.319%0.1913%0.127CC..  trans-106.3-18.7179.8660000113.1L306 E407 T408 D409T304-L306 VanDerWaalsContact C-N 3.3Å; T304-L306 PolarHBondContact OG1-N 3.42Å; T304-L306 VanDerWaalsContact OG1-N 3.11Å; T304-L306 PolarHBondContact OG1-O 2.89Å; T304-L306 VanDerWaalsContact OG1-O 3.08Å; T304-E407 HydrophobicContact CG2-CB 4.38Å; T304-T408 VanDerWaalsContact CG2-C 3.5Å; T304-T408 VanDerWaalsContact OG1-C 3.26Å; T304-T408 WeakPolarHBondContact OG1-CA 3.31Å; T304-D409 PolarHBondContact N-OD1 3.13Å; T304-D409 PolarHBondContact OG1-N 3.15Å; T304-D409 VanDerWaalsContact OG1-N 3.08Å; T304-D409 PolarHBondContact OG1-OD1 2.91Å
305G91.9Very high93.2Very high1 Ų115.3 Ų15.31%0.019%0.089CC..SBendtrans88.9-6.9-170.500000113.5P226 Y242 P244 K245P226-G305 VanDerWaalsContact CD-O 3.24Å; P226-G305 WeakPolarHBondContact CD-O 3.35Å; Y242-G305 VanDerWaalsContact OH-CA 3.31Å; Y242-G305 WeakPolarHBondContact OH-CA 3.45Å; Y242-G305 PolarHBondContact OH-N 3.18Å; P244-G305 CarbonylContact C-O 3.5Å; P244-G305 VanDerWaalsContact CA-O 3.23Å; P244-G305 WeakPolarHBondContact CA-O 3.33Å; P244-G305 WeakPolarHBondContact CB-O 3.36Å; K245-G305 PolarHBondContact N-O 2.88Å
306L92.8Very high93.4Very high6 Ų613.6 Ų13.63%0.0317%0.072CC..EExtended strand (participates in β ladder)trans-118.4134.2179.5-64.6178.4000110.5K224 A225 K245 W247 T304 T408 D409K224-L306 WeakPolarHBondContact O-CD2 3.43Å; A225-L306 HydrophobicContact CB-CD1 3.8Å; A225-L306 HydrophobicContact CB-CD2 4.14Å; A225-L306 HydrophobicContact CB-CG 3.78Å; K245-L306 HydrophobicContact CB-CD2 4.09Å; K245-L306 CarbonylContact O-C 3.56Å; K245-L306 WeakPolarHBondContact O-CA 3.49Å; W247-L306 HydrophobicContact CB-CD2 4.4Å; W247-L306 HydrophobicContact CD2-CD1 4.44Å; W247-L306 HydrophobicContact CE3-CD1 3.66Å; W247-L306 HydrophobicContact CZ3-CD1 4.12Å; T304-L306 VanDerWaalsContact C-N 3.3Å; T304-L306 PolarHBondContact OG1-N 3.42Å; T304-L306 VanDerWaalsContact OG1-N 3.11Å; T304-L306 PolarHBondContact OG1-O 2.89Å; T304-L306 VanDerWaalsContact OG1-O 3.08Å; L306-T408 HydrophobicContact CB-CG2 4.03Å; L306-D409 VanDerWaalsContact O-CB 3.26Å; L306-D409 WeakPolarHBondContact O-CB 3.46Å; L306-D409 PolarHBondContact O-N 3.08Å
307T94.2Very high93.4Very high33 Ų3310.9 Ų10.920%0.2026%0.06CC..EExtended strand (participates in β ladder)trans-114.6172.6171.2-170.10000110.2P244 K245 L246 W247 N410P244-T307 HydrophobicContact CB-CG2 4.23Å; P244-T307 HydrophobicContact CG-CG2 3.97Å; K245-T307 PolarHBondContact O-N 3.5Å; L246-T307 HydrophobicContact CB-CG2 4.18Å; L246-T307 HydrophobicContact CD1-CG2 4.03Å; W247-T307 PolarHBondContact N-O 3.41Å; T307-N410 WeakPolarHBondContact CA-ND2 3.27Å; T307-N410 PolarHBondContact OG1-ND2 2.55Å
308G93.3Very high93.2Very high1 Ų111 Ų111%0.016%0.06CC..EExtended strand (participates in β ladder)trans87.8-162-164.300000112.6N248 T408 N410N248-G308 WeakPolarHBondContact OD1-CA 2.96Å; G308-T408 PolarHBondContact O-OG1 3.34Å; G308-N410 PolarHBondContact N-ND2 3.45Å; G308-N410 WeakPolarHBondContact O-CB 3.2Å; G308-N410 PolarHBondContact O-ND2 3.45Å
309R92.9Very high93Very high16 Ų1610.7 Ų10.76%0.066%0.059CC..EExtended strand (participates in β ladder)trans-103.8-15.8-176.4173.7169.459.563.55.4112.2W247 N248 D257 L312 P313 Y315 A411W247-R309 PolarHBondContact O-N 3.36Å; N248-R309 PolarHBondContact OD1-N 3.27Å; D257-R309 PolarHBondContact O-NE 3.3Å; D257-R309 PolarHBondContact O-NH2 2.67Å; D257-R309 VanDerWaalsContact O-NH2 3.14Å; R309-L312 WeakPolarHBondContact CD-O 3.4Å; R309-L312 WeakPolarHBondContact CG-O 3.4Å; R309-L312 PolarHBondContact NH1-O 2.86Å; R309-L312 PolarHBondContact O-N 3.37Å; R309-P313 WeakPolarHBondContact CD-O 3.37Å; R309-Y315 HydrophobicContact CB-CD1 4.18Å; R309-Y315 HydrophobicContact CB-CE1 3.78Å; R309-Y315 HydrophobicContact CB-CE2 4.23Å; R309-A411 HydrophobicContact CG-CB 4.39Å
310G90.9Very high92.7Very high0 Ų010.7 Ų10.70%06%0.059CC..EExtended strand (participates in β ladder)trans60-135.2-173.900000111.9W247 E249W247-G310 VanDerWaalsContact CE3-CA 3.42Å; W247-G310 WeakPolarHBondContact O-CA 3.42Å; W247-G310 PolarHBondContact O-N 2.89Å; E249-G310 PolarHBondContact N-O 2.94Å; E249-G310 VanDerWaalsContact N-O 3.09Å
311L86.3Confident92.3Very high31 Ų318.9 Ų8.916%0.1625%0.047CC..THydrogen-bonded Turntrans-84.3-12.3176.3-77.1167.8000114.2L221 W247 E249 Y252 L406L221-L311 HydrophobicContact CD1-CD1 4.17Å; L221-L311 HydrophobicContact CD2-CD1 3.79Å; W247-L311 HydrophobicContact CH2-CB 4.35Å; W247-L311 HydrophobicContact CH2-CD1 4.03Å; W247-L311 HydrophobicContact CH2-CG 4.01Å; W247-L311 HydrophobicContact CZ2-CB 4.4Å; W247-L311 HydrophobicContact CZ2-CD1 3.84Å; W247-L311 HydrophobicContact CZ2-CG 3.65Å; E249-L311 HydrophobicContact CB-CD2 3.64Å; E249-L311 HydrophobicContact CB-CG 4.23Å; E249-L311 HydrophobicContact CG-CD2 3.66Å; E249-L311 HydrophobicContact CG-CG 3.93Å; Y252-L311 HydrophobicContact CD2-CD2 3.91Å; Y252-L311 HydrophobicContact CE2-CD2 3.71Å; L311-L406 HydrophobicContact CB-CD2 4.38Å; L311-L406 HydrophobicContact CD1-CD2 3.98Å
312L89.4Confident92Very high0 Ų08.5 Ų8.50%04%0.044CC..SBendtrans-73149.5-173.7-66.6174.7000111.1R309 R314 N318 L406 A411 V413R309-L312 WeakPolarHBondContact CD-O 3.4Å; R309-L312 WeakPolarHBondContact CG-O 3.4Å; R309-L312 PolarHBondContact NH1-O 2.86Å; R309-L312 PolarHBondContact O-N 3.37Å; L312-R314 PolarHBondContact O-N 3.43Å; L312-N318 HydrophobicContact CB-CB 4.45Å; L312-N318 HydrophobicContact CD1-CB 4.34Å; L312-N318 HydrophobicContact CD2-CB 4.1Å; L312-L406 HydrophobicContact CD1-CB 4.4Å; L312-L406 HydrophobicContact CD2-CB 4.01Å; L312-L406 HydrophobicContact CD2-CD1 3.87Å; L312-L406 HydrophobicContact CG-CB 4.15Å; L312-A411 HydrophobicContact CB-CB 4.18Å; L312-A411 HydrophobicContact CD1-CB 3.85Å; L312-V413 HydrophobicContact CD1-CG2 4.13Å; L312-V413 HydrophobicContact CD2-CG2 3.77Å
313P90.4Very high91.6Very high2 Ų28.5 Ų8.51%0.0134%0.043CC..SBendtrans-73.7-24.9-17724.4-31.1000113.9F253 C256 D257 R309 N318F253-P313 HydrophobicContact CB-CB 4.02Å; F253-P313 HydrophobicContact CD1-CB 4.2Å; F253-P313 HydrophobicContact CD1-CG 4Å; F253-P313 HydrophobicContact CD2-CB 3.69Å; F253-P313 HydrophobicContact CD2-CG 3.94Å; F253-P313 HydrophobicContact CE1-CG 4.02Å; F253-P313 HydrophobicContact CE2-CB 4.21Å; F253-P313 HydrophobicContact CE2-CG 3.98Å; F253-P313 HydrophobicContact CG-CB 3.7Å; F253-P313 HydrophobicContact CG-CG 3.96Å; F253-P313 HydrophobicContact CZ-CG 4Å; C256-P313 CarbonylContact C-O 3.59Å; C256-P313 WeakPolarHBondContact CA-O 3.07Å; C256-P313 WeakPolarHBondContact CB-O 3.5Å; D257-P313 PolarHBondContact N-O 3.39Å; R309-P313 WeakPolarHBondContact CD-O 3.37Å; P313-N318 WeakPolarHBondContact CD-OD1 3.47Å; P313-N318 WeakPolarHBondContact CG-OD1 3.16Å
314R95.3Very high91.2Very high26 Ų267.7 Ų7.710%0.0984%0.04CC..SBendtrans-125.4148-172.4-51.3-59.3173.1-1791.9112.8Q255 D257 V276 L312 N318 A411Q255-R314 PolarHBondContact O-NH2 2.81Å; D257-R314 VanDerWaalsContact OD1-CD 3.3Å; D257-R314 WeakPolarHBondContact OD1-CD 3.48Å; D257-R314 IonicContact OD1-CZ 2.82Å; D257-R314 IonicContact OD1-NH1 2.91Å; D257-R314 PolarHBondContact OD1-NH1 2.96Å; D257-R314 WeakPolarHBondContact OD2-CA 3.25Å; V276-R314 HydrophobicContact CG1-CG 4.12Å; L312-R314 PolarHBondContact O-N 3.43Å; R314-N318 WeakPolarHBondContact CB-OD1 3.31Å; R314-N318 PolarHBondContact N-OD1 3.29Å; R314-N318 PolarHBondContact O-ND2 3.12Å; R314-A411 WeakPolarHBondContact O-CB 3.33Å
315Y96.8Very high91.2Very high3 Ų36.2 Ų6.21%0.0123%0.031CC..SBendtrans-72.1136.1160.7-74.2-79.3000109.8D257 P258 I260 F265 R278 F296 R309 N410D257-Y315 HydrophobicContact CB-CD2 3.8Å; D257-Y315 HydrophobicContact CB-CE2 4.29Å; D257-Y315 PolarHBondContact OD2-N 3.2Å; P258-Y315 WeakPolarHBondContact O-CE2 3.49Å; I260-Y315 HydrophobicContact CD1-CD2 3.88Å; I260-Y315 HydrophobicContact CD1-CE2 4.14Å; I260-Y315 HydrophobicContact CD1-CG 4.15Å; I260-Y315 HydrophobicContact CG1-CD1 4.21Å; I260-Y315 HydrophobicContact CG1-CD2 3.96Å; I260-Y315 HydrophobicContact CG1-CE1 4.03Å; I260-Y315 HydrophobicContact CG1-CE2 3.77Å; I260-Y315 HydrophobicContact CG1-CG 4.18Å; F265-Y315 HydrophobicContact CE1-CD2 4.22Å; F265-Y315 HydrophobicContact CE1-CE2 4.43Å; F265-Y315 HydrophobicContact CZ-CD2 4.46Å; R278-Y315 PolarHBondContact NH1-O 3.26Å; F296-Y315 HydrophobicContact CD1-CD1 4.43Å; F296-Y315 HydrophobicContact CD1-CE1 4.11Å; F296-Y315 HydrophobicContact CE1-CE1 4.09Å; R309-Y315 HydrophobicContact CB-CD1 4.18Å; R309-Y315 HydrophobicContact CB-CE1 3.78Å; R309-Y315 HydrophobicContact CB-CE2 4.23Å; Y315-N410 CarbonylContact C-O 3.53Å; Y315-N410 WeakPolarHBondContact CA-O 3.46Å; Y315-N410 HydrophobicContact CD1-CB 3.94Å; Y315-N410 HydrophobicContact CE1-CB 4.34Å
316G97.3Very high91Very high0 Ų06.7 Ų6.70%03%0.034CC..EExtended strand (participates in β ladder)trans89.2-140.3-175.700000112P297 N318 N410 A411 W412P297-G316 VanDerWaalsContact CG-N 3.29Å; G316-N318 PolarHBondContact O-ND2 3.46Å; G316-N318 VanDerWaalsContact O-ND2 3.12Å; G316-N410 PolarHBondContact N-O 3.32Å; G316-A411 WeakPolarHBondContact O-CA 3.2Å; G316-W412 PolarHBondContact O-N 3.45Å
317P96.5Very high90.8Very high3 Ų39.2 Ų9.22%0.0194%0.043CC..EExtended strand (participates in β ladder)trans-74.1136.7-177.632-35.9000111.9Y290 W412 E414Y290-P317 HydrophobicContact CE1-CG 4.06Å; P317-W412 HydrophobicContact CB-CZ2 4.24Å; P317-E414 HydrophobicContact CB-CG 4.12Å; P317-E414 VanDerWaalsContact CB-OE1 3.28Å; P317-E414 WeakPolarHBondContact CB-OE1 3.29Å
318N93.8Very high90.2Very high1 Ų111.5 Ų11.51%0.0055%0.051CC..EExtended strand (participates in β ladder)trans-115.2107.1172.3-68.9-97.9000108.4L312 P313 R314 G316 W412 V413 E414L312-N318 HydrophobicContact CB-CB 4.45Å; L312-N318 HydrophobicContact CD1-CB 4.34Å; L312-N318 HydrophobicContact CD2-CB 4.1Å; P313-N318 WeakPolarHBondContact CD-OD1 3.47Å; P313-N318 WeakPolarHBondContact CG-OD1 3.16Å; R314-N318 WeakPolarHBondContact CB-OD1 3.31Å; R314-N318 PolarHBondContact N-OD1 3.29Å; R314-N318 PolarHBondContact O-ND2 3.12Å; G316-N318 PolarHBondContact O-ND2 3.46Å; G316-N318 VanDerWaalsContact O-ND2 3.12Å; N318-W412 WeakPolarHBondContact CB-O 3.19Å; N318-W412 PolarHBondContact N-O 3.26Å; N318-W412 PolarHBondContact ND2-O 3.03Å; N318-V413 WeakPolarHBondContact O-CA 3Å; N318-E414 PolarHBondContact O-N 2.82Å
319H93Very high89.4Confident5 Ų516.6 Ų16.62%0.0238%0.078CC..EExtended strand (participates in β ladder)trans-81.7132.8-168.8-60.1-65.4000112.1Y277 K279 I353 P356 E414Y277-H319 AromaticContact CD1-CD2 3.88Å; Y277-H319 AromaticContact CD1-NE2 3.42Å; Y277-H319 WeakPolarHBondContact CD1-NE2 3.48Å; Y277-H319 PolarHBondContact O-CD2 3.22Å; Y277-H319 PolarHBondContact O-NE2 3.31Å; K279-H319 PolarHBondContact O-CE1 2.78Å; K279-H319 PolarHBondContact O-NE2 3.03Å; H319-I353 HydrophobicContact CB-CD1 4.25Å; H319-I353 HydrophobicContact CB-CG1 3.74Å; H319-I353 WeakPolarHBondContact O-CG1 3.41Å; H319-I353 PolarHBondContact O-N 3.09Å; H319-P356 HydrophobicContact CB-CG 4.46Å; H319-E414 CarbonylContact C-O 3.57Å; H319-E414 WeakPolarHBondContact CA-O 3.18Å
320M89.2Confident88.6Confident1 Ų119.6 Ų19.61%0.00511%0.114CC..EExtended strand (participates in β ladder)trans-126.2153.6175.3-62.2-165.5-173.700110.2G351 V413 E414 L415 E416 I504 V508M320-G351 CarbonylContact C-O 3.31Å; M320-G351 VanDerWaalsContact CA-O 3.29Å; M320-G351 WeakPolarHBondContact CA-O 3.4Å; M320-V413 HydrophobicContact CB-CG1 4.4Å; M320-V413 HydrophobicContact CE-CG1 3.87Å; M320-V413 HydrophobicContact CE-CG2 3.92Å; M320-V413 HydrophobicContact CG-CG1 3.86Å; M320-V413 HydrophobicContact SD-CG1 3.68Å; M320-E414 PolarHBondContact N-O 3.42Å; M320-L415 HydrophobicContact CB-CD1 3.72Å; M320-L415 WeakPolarHBondContact O-CA 3.49Å; M320-E416 PolarHBondContact O-N 3.06Å; M320-I504 HydrophobicContact CE-CG2 3.74Å; M320-I504 HydrophobicContact SD-CB 4.15Å; M320-I504 HydrophobicContact SD-CD1 4.42Å; M320-I504 HydrophobicContact SD-CG1 3.79Å; M320-I504 HydrophobicContact SD-CG2 3.63Å; M320-V508 HydrophobicContact CE-CG2 3.46Å; M320-V508 VanDerWaalsContact CE-CG2 3.46Å
321R87.2Confident87.7Confident1 Ų126.7 Ų26.70%0.00416%0.157CC..EExtended strand (participates in β ladder)trans-129.4136.4171.9-175.3162.8-69.21727.3110.3V323 T350 G351 I353 P356 Q359 A360 P362 E416 F418R321-V323 HydrophobicContact CG-CG1 3.98Å; R321-T350 VanDerWaalsContact O-CA 3.31Å; R321-T350 WeakPolarHBondContact O-CA 3.15Å; R321-G351 PolarHBondContact N-O 2.87Å; R321-G351 PolarHBondContact O-N 3.39Å; R321-I353 HydrophobicContact CB-CD1 4.11Å; R321-I353 HydrophobicContact CB-CG2 3.91Å; R321-P356 PolarHBondContact NH2-O 3.5Å; R321-Q359 VanDerWaalsContact CZ-O 3.31Å; R321-Q359 PolarHBondContact NH1-O 3.41Å; R321-A360 WeakPolarHBondContact CD-O 3.46Å; R321-A360 PolarHBondContact NH1-O 3.02Å; R321-P362 HydrophobicContact CB-CG 4.4Å; R321-P362 WeakPolarHBondContact O-CG 3.49Å; R321-E416 WeakPolarHBondContact CA-O 3.21Å; R321-E416 IonicContact CZ-OE2 3.46Å; R321-E416 IonicContact NE-OE2 3.05Å; R321-E416 IonicContact NH2-OE2 3.88Å; R321-E416 PolarHBondContact NH2-OE2 3.37Å; R321-F418 HydrophobicContact CG-CD2 3.9Å; R321-F418 HydrophobicContact CG-CE2 4.23Å; R321-F418 VanDerWaalsContact NE-CE2 3.28Å
322S82.3Confident87.3Confident0 Ų030.5 Ų30.50%017%0.173CC..EExtended strand (participates in β ladder)trans-115.6128.5171.2-163.10000109.4F348 I349 T350 E416 M417 F418S322-F348 WeakPolarHBondContact OG-CB 3.27Å; S322-F348 WeakPolarHBondContact OG-CD1 2.97Å; S322-I349 WeakPolarHBondContact CA-O 3.26Å; S322-T350 VanDerWaalsContact CB-OG1 3.32Å; S322-T350 WeakPolarHBondContact CB-OG1 3.35Å; S322-T350 PolarHBondContact OG-OG1 3.05Å; S322-E416 PolarHBondContact N-O 2.78Å; S322-M417 CarbonylContact O-C 3.59Å; S322-M417 WeakPolarHBondContact O-CA 3.19Å; S322-F418 PolarHBondContact O-N 2.94Å
323V85.7Confident86.9Confident0 Ų031.2 Ų31.20%018%0.177CC..EExtended strand (participates in β ladder)trans-124.5140.6178.3-610000111R321 F325 F348 I349 F361 F418 V420R321-V323 HydrophobicContact CG-CG1 3.98Å; V323-F325 HydrophobicContact CG2-CE2 3.83Å; V323-F325 HydrophobicContact CG2-CZ 4.29Å; V323-F348 WeakPolarHBondContact O-CA 3.43Å; V323-I349 HydrophobicContact CG2-CB 4.05Å; V323-I349 PolarHBondContact N-O 3.3Å; V323-I349 PolarHBondContact O-N 2.67Å; V323-F361 HydrophobicContact CB-CD1 4.41Å; V323-F361 HydrophobicContact CB-CE1 4.44Å; V323-F361 HydrophobicContact CG1-CD1 3.96Å; V323-F361 HydrophobicContact CG1-CE1 4.17Å; V323-F361 HydrophobicContact CG2-CD1 3.85Å; V323-F361 HydrophobicContact CG2-CE1 4.11Å; V323-F418 WeakPolarHBondContact CA-O 3.37Å; V323-F418 HydrophobicContact CG1-CB 4.38Å; V323-V420 HydrophobicContact CB-CG2 4.19Å; V323-V420 HydrophobicContact CG1-CG2 4.47Å
324I84.3Confident86.8Confident0 Ų032.9 Ų32.90%019%0.186CC..EExtended strand (participates in β ladder)trans-125.6139.6168.5-169.3166.6000109.5V335 F348 F418 V419 V420 I490I324-V335 HydrophobicContact CD1-CG2 3.48Å; I324-V335 VanDerWaalsContact CD1-CG2 3.48Å; I324-V335 HydrophobicContact CG1-CG2 3.75Å; I324-F348 HydrophobicContact CB-CD1 3.83Å; I324-F348 HydrophobicContact CB-CD2 4.43Å; I324-F348 HydrophobicContact CB-CE1 3.63Å; I324-F348 HydrophobicContact CB-CE2 4.21Å; I324-F348 HydrophobicContact CB-CG 4.26Å; I324-F348 HydrophobicContact CB-CZ 3.82Å; I324-F348 HydrophobicContact CD1-CD2 4.07Å; I324-F348 HydrophobicContact CD1-CE2 3.78Å; I324-F348 HydrophobicContact CD1-CZ 4.14Å; I324-F348 HydrophobicContact CG2-CD1 4.2Å; I324-F348 HydrophobicContact CG2-CE1 3.46Å; I324-F348 VanDerWaalsContact CG2-CE1 3.46Å; I324-F348 HydrophobicContact CG2-CE2 4.2Å; I324-F348 HydrophobicContact CG2-CZ 3.45Å; I324-F348 VanDerWaalsContact CG2-CZ 3.45Å; I324-F418 PolarHBondContact N-O 2.86Å; I324-V419 HydrophobicContact CG2-CB 4.48Å; I324-V419 HydrophobicContact CG2-CG2 3.79Å; I324-V420 PolarHBondContact O-N 3.33Å; I324-I490 HydrophobicContact CD1-CG2 4.22Å; I324-I490 HydrophobicContact CG2-CG2 4.11Å
325F91.4Very high86.4Confident0 Ų031.6 Ų31.60%018%0.181CC..EExtended strand (participates in β ladder)trans-101.8134.4-178.1-63.3-99.5000110.6V323 L336 I349 F361 V420 L428 L433 M436 W444V323-F325 HydrophobicContact CG2-CE2 3.83Å; V323-F325 HydrophobicContact CG2-CZ 4.29Å; F325-L336 HydrophobicContact CB-CB 3.86Å; F325-L336 HydrophobicContact CB-CD2 4.11Å; F325-L336 HydrophobicContact CD2-CD2 4.03Å; F325-L336 HydrophobicContact CG-CD2 4.21Å; F325-L336 PolarHBondContact O-N 3.06Å; F325-I349 HydrophobicContact CE2-CD1 4.17Å; F325-F361 HydrophobicContact CE1-CE1 4.14Å; F325-F361 HydrophobicContact CE1-CZ 4.3Å; F325-F361 HydrophobicContact CE2-CE1 4.5Å; F325-F361 HydrophobicContact CZ-CD1 4.39Å; F325-F361 AromaticContact CZ-CE1 3.56Å; F325-F361 HydrophobicContact CZ-CE1 3.56Å; F325-F361 HydrophobicContact CZ-CZ 4.07Å; F325-V420 HydrophobicContact CD1-CB 3.6Å; F325-V420 HydrophobicContact CD1-CG1 3.61Å; F325-V420 HydrophobicContact CD1-CG2 4.16Å; F325-V420 HydrophobicContact CE1-CB 3.83Å; F325-V420 HydrophobicContact CE1-CG1 3.64Å; F325-V420 HydrophobicContact CE1-CG2 3.96Å; F325-V420 HydrophobicContact CG-CB 4.18Å; F325-V420 HydrophobicContact CZ-CG2 4.27Å; F325-L428 HydrophobicContact CE1-CD2 4.25Å; F325-L433 HydrophobicContact CD1-CD1 3.85Å; F325-L433 HydrophobicContact CD1-CD2 4.02Å; F325-L433 HydrophobicContact CE1-CD1 4.21Å; F325-L433 HydrophobicContact CE1-CD2 3.51Å; F325-L433 HydrophobicContact CE1-CG 4.5Å; F325-L433 HydrophobicContact CE2-CD2 4.32Å; F325-L433 HydrophobicContact CG-CD1 4.22Å; F325-L433 HydrophobicContact CZ-CD2 3.69Å; F325-M436 HydrophobicContact CE2-CE 3.76Å; F325-M436 HydrophobicContact CE2-SD 4.03Å; F325-M436 HydrophobicContact CZ-CE 3.68Å; F325-M436 HydrophobicContact CZ-SD 4.5Å; F325-W444 HydrophobicContact CB-CH2 3.96Å; F325-W444 HydrophobicContact CB-CZ3 4.45Å
326I88.8Confident86Confident12 Ų1231.5 Ų31.56%0.06218%0.18CC..EExtended strand (participates in β ladder)trans-127.8137.4179.8-56.6175000110V333 L334 V419 V420 C422 M447 I490I326-V333 HydrophobicContact CG2-CG1 3.23Å; I326-L334 CarbonylContact C-O 3.59Å; I326-L334 VanDerWaalsContact CA-O 3.27Å; I326-L334 WeakPolarHBondContact CA-O 3.18Å; I326-L334 WeakPolarHBondContact CG2-O 3.38Å; I326-V419 HydrophobicContact CB-CG1 4.47Å; I326-V419 HydrophobicContact CD1-CB 4.36Å; I326-V419 HydrophobicContact CD1-CG1 3.29Å; I326-V419 HydrophobicContact CD1-CG2 4.12Å; I326-V419 HydrophobicContact CG1-CG1 3.94Å; I326-V420 PolarHBondContact N-O 3.43Å; I326-C422 WeakPolarHBondContact O-CB 3.49Å; I326-C422 PolarHBondContact O-N 2.81Å; I326-M447 HydrophobicContact CD1-CE 4.48Å; I326-I490 HydrophobicContact CD1-CD1 3.09Å; I326-I490 HydrophobicContact CG1-CD1 4.07Å
327W88.9Confident85.4Confident59 Ų5931.6 Ų31.622%0.22318%0.181CC..EExtended strand (participates in β ladder)trans-124.1110.2174.9-160.5-58.8000111.7N329 L334 C422 C429 R430 W444W327-N329 PolarHBondContact O-N 2.84Å; W327-L334 HydrophobicContact CB-CB 4.18Å; W327-L334 PolarHBondContact N-O 3.02Å; W327-L334 PolarHBondContact O-N 2.02Å; W327-C422 HydrophobicContact CB-CB 4.18Å; W327-C422 HydrophobicContact CD2-CB 3.75Å; W327-C422 HydrophobicContact CE3-CB 3.43Å; W327-C422 VanDerWaalsContact CE3-CB 3.43Å; W327-C422 HydrophobicContact CG-CB 4.11Å; W327-C422 HydrophobicContact CZ3-CB 4.11Å; W327-C429 HydrophobicContact CE3-CB 4.02Å; W327-C429 HydrophobicContact CZ3-CB 3.62Å; W327-R430 HydrophobicContact CH2-CG 3.63Å; W327-R430 HydrophobicContact CZ3-CG 4.34Å; W327-W444 HydrophobicContact CB-CE3 4.22Å; W327-W444 HydrophobicContact CB-CH2 3.93Å; W327-W444 HydrophobicContact CB-CZ3 3.71Å; W327-W444 HydrophobicContact CE3-CH2 4.07Å; W327-W444 AromaticContact CE3-CZ2 3.85Å; W327-W444 HydrophobicContact CE3-CZ2 3.85Å
328E81.4Confident84.6Confident81 Ų8135.9 Ų35.938%0.37920%0.199SC..EExtended strand (participates in β ladder)trans-76.6117.5168.3-67168.7-158.500109.9V333 K423E328-V333 HydrophobicContact CG-CG2 4.35Å; E328-K423 HydrophobicContact CB-CD 4.18Å; E328-K423 WeakPolarHBondContact OE2-CD 3.45Å; E328-K423 IonicContact OE2-NZ 3.97Å; E328-K423 PolarHBondContact OE2-NZ 3.26Å
329N74.6Confident83.6Confident108 Ų10837.5 Ų37.558%0.57821%0.211SC*.EExtended strand (participates in β ladder)trans-125.694.9175.2-170.720.4000110.1W327 T331 K332W327-N329 PolarHBondContact O-N 2.84Å; N329-T331 PolarHBondContact O-N 3.39Å; N329-K332 PolarHBondContact N-O 2.91Å; N329-K332 PolarHBondContact O-N 2.94Å; N329-K332 VanDerWaalsContact O-N 3.12Å
330G76.4Confident82.9Confident79 Ų7942 Ų4281%0.81424%0.235SC*.THydrogen-bonded Turntrans64.9-120.9-173.800000111.2
331T72.6Confident82Confident148 Ų14844.9 Ų44.991%0.90825%0.253SS*.THydrogen-bonded Turntrans-85.5-13.4176.453.70000113.4N329N329-T331 PolarHBondContact O-N 3.39Å
332K78.1Confident81Confident111 Ų11148.5 Ų48.548%0.48327%0.272SS..EExtended strand (participates in β ladder)trans-91.6144.9-179.7-67.4-171.7168.2-1530111.2N329 D446N329-K332 PolarHBondContact N-O 2.91Å; N329-K332 PolarHBondContact O-N 2.94Å; N329-K332 VanDerWaalsContact O-N 3.12Å; K332-D446 IonicContact NZ-OD1 2.72Å; K332-D446 IonicContact NZ-OD2 2.75Å; K332-D446 PolarHBondContact NZ-OD2 3.47Å
333V81.5Confident80.1Confident16 Ų1650.6 Ų50.610%0.09729%0.287CS..EExtended strand (participates in β ladder)trans-115.4122169.1-178.80000107.6I326 E328 M447 L486I326-V333 HydrophobicContact CG2-CG1 3.23Å; E328-V333 HydrophobicContact CG-CG2 4.35Å; V333-M447 HydrophobicContact CB-CB 4.09Å; V333-M447 HydrophobicContact CG1-CB 4.22Å; V333-M447 HydrophobicContact CG1-CE 4.25Å; V333-M447 HydrophobicContact CG1-SD 4.06Å; V333-M447 WeakPolarHBondContact O-CB 3.26Å; V333-M447 PolarHBondContact O-N 2.91Å; V333-L486 HydrophobicContact CB-CD2 4.42Å; V333-L486 HydrophobicContact CG1-CD2 3.84Å; V333-L486 HydrophobicContact CG2-CD1 4.06Å; V333-L486 HydrophobicContact CG2-CD2 4.27Å
334L87.8Confident79.2Confident36 Ų3650.9 Ų50.919%0.18829%0.288CS..EExtended strand (participates in β ladder)trans-98.3141.4175.4-54.3173.5000109.8I326 W327 W444 H445 D446I326-L334 CarbonylContact C-O 3.59Å; I326-L334 VanDerWaalsContact CA-O 3.27Å; I326-L334 WeakPolarHBondContact CA-O 3.18Å; I326-L334 WeakPolarHBondContact CG2-O 3.38Å; W327-L334 HydrophobicContact CB-CB 4.18Å; W327-L334 PolarHBondContact N-O 3.02Å; W327-L334 PolarHBondContact O-N 2.02Å; L334-W444 HydrophobicContact CB-CB 4.41Å; L334-W444 HydrophobicContact CB-CD2 4.42Å; L334-W444 HydrophobicContact CB-CE3 3.67Å; L334-W444 HydrophobicContact CB-CZ3 4.36Å; L334-W444 HydrophobicContact CD1-CB 4.36Å; L334-H445 CarbonylContact C-O 3.53Å; L334-H445 VanDerWaalsContact CA-O 3.23Å; L334-H445 WeakPolarHBondContact CA-O 3.5Å; L334-D446 WeakPolarHBondContact CD2-OD1 3.48Å
335V86.1Confident78.1Confident0 Ų052 Ų520%030%0.3CS..EExtended strand (participates in β ladder)trans-116.4138.6172.471.10000109.5I324 K337 Y344 W444 H445 M447I324-V335 HydrophobicContact CD1-CG2 3.48Å; I324-V335 VanDerWaalsContact CD1-CG2 3.48Å; I324-V335 HydrophobicContact CG1-CG2 3.75Å; V335-K337 HydrophobicContact CG1-CD 3.77Å; V335-K337 HydrophobicContact CG1-CG 4Å; V335-Y344 HydrophobicContact CB-CD1 4.47Å; V335-Y344 HydrophobicContact CG1-CD1 3.93Å; V335-Y344 HydrophobicContact CG1-CE1 4Å; V335-Y344 HydrophobicContact CG2-CD1 4.23Å; V335-W444 WeakPolarHBondContact O-CA 3.49Å; V335-H445 HydrophobicContact CG1-CB 4.31Å; V335-H445 PolarHBondContact N-O 3.12Å; V335-H445 PolarHBondContact O-N 3.39Å; V335-M447 HydrophobicContact CB-CE 4.15Å; V335-M447 HydrophobicContact CG2-CE 4.37Å
336L89.9Confident77Confident0 Ų054.2 Ų54.20%031%0.312CS..EExtended strand (participates in β ladder)trans-87.8112.6176.2-172.865.1000109.5F325 G347 L433 R437 L442 T443 W444F325-L336 HydrophobicContact CB-CB 3.86Å; F325-L336 HydrophobicContact CB-CD2 4.11Å; F325-L336 HydrophobicContact CD2-CD2 4.03Å; F325-L336 HydrophobicContact CG-CD2 4.21Å; F325-L336 PolarHBondContact O-N 3.06Å; L336-G347 VanDerWaalsContact O-CA 3.29Å; L336-G347 WeakPolarHBondContact O-CA 3.37Å; L336-L433 HydrophobicContact CD2-CD1 4.12Å; L336-R437 HydrophobicContact CD1-CG 3.93Å; L336-R437 HydrophobicContact CD2-CG 3.97Å; L336-R437 HydrophobicContact CG-CG 4.49Å; L336-L442 HydrophobicContact CD1-CB 3.88Å; L336-L442 HydrophobicContact CD2-CB 4.44Å; L336-L442 HydrophobicContact CD2-CD1 4.3Å; L336-L442 HydrophobicContact CG-CB 3.87Å; L336-L442 HydrophobicContact CG-CD1 4.32Å; L336-T443 WeakPolarHBondContact CA-O 2.94Å; L336-W444 HydrophobicContact CB-CD2 4.35Å; L336-W444 HydrophobicContact CB-CE3 3.99Å; L336-W444 HydrophobicContact CB-CH2 4.03Å; L336-W444 HydrophobicContact CB-CZ2 4.39Å; L336-W444 HydrophobicContact CB-CZ3 3.82Å; L336-W444 HydrophobicContact CD1-CD2 4.04Å; L336-W444 HydrophobicContact CD1-CG 4.27Å; L336-W444 HydrophobicContact CD1-CZ2 4.4Å
337K83.8Confident76.3Confident2 Ų253.7 Ų53.71%0.00931%0.309CS..EExtended strand (participates in β ladder)trans-154.2173.3-176.664.3176.1176.9166.30113.2V335 S339 T341 S343 G347 L442 T443 H445V335-K337 HydrophobicContact CG1-CD 3.77Å; V335-K337 HydrophobicContact CG1-CG 4Å; K337-S339 WeakPolarHBondContact CD-O 3.37Å; K337-S339 WeakPolarHBondContact CE-O 3.32Å; K337-S339 WeakPolarHBondContact CG-O 3.29Å; K337-S339 PolarHBondContact NZ-O 2.92Å; K337-T341 PolarHBondContact NZ-O 3.18Å; K337-S343 PolarHBondContact NZ-O 2.8Å; K337-G347 VanDerWaalsContact CB-CA 3.5Å; K337-L442 WeakPolarHBondContact O-CA 3.49Å; K337-T443 PolarHBondContact N-O 3.3Å; K337-T443 PolarHBondContact O-N 3.04Å; K337-T443 VanDerWaalsContact O-O 3.04Å; K337-H445 HydrophobicContact CG-CB 4.23Å
338K79Confident75.6Confident93 Ų9352 Ų5240%0.40430%0.303SS..SBendtrans-82.5-36.7-174.8-173.7179.9178-173.70113.2D346 L442K338-D346 HydrophobicContact CB-CB 4.25Å; K338-D346 PolarHBondContact N-OD2 3.21Å; K338-L442 HydrophobicContact CB-CD2 4.32Å
339S73.9Confident75.5Confident35 Ų3548.6 Ų48.625%0.24529%0.288CS..SBendtrans-125.1153.2-172710000112.4K337 T341 D346K337-S339 WeakPolarHBondContact CD-O 3.37Å; K337-S339 WeakPolarHBondContact CE-O 3.32Å; K337-S339 WeakPolarHBondContact CG-O 3.29Å; K337-S339 PolarHBondContact NZ-O 2.92Å; S339-T341 PolarHBondContact O-N 3.02Å; S339-T341 WeakPolarHBondContact OG-CG2 3.05Å; S339-T341 PolarHBondContact OG-OG1 2.89Å; S339-D346 WeakPolarHBondContact CA-OD2 3.21Å; S339-D346 VanDerWaalsContact CB-OD2 3.27Å; S339-D346 WeakPolarHBondContact CB-OD2 3.22Å; S339-D346 PolarHBondContact N-OD2 2.8Å; S339-D346 PolarHBondContact OG-OD2 2.76Å
340D79Confident75.7Confident99 Ų9945 Ų4553%0.52927%0.27SS..SBendtrans-84.530174.7-159.234.9000113.2H445D340-H445 WeakPolarHBondContact CB-ND1 3.38Å; D340-H445 IonicContact OD1-CE1 2.76Å; D340-H445 IonicContact OD1-CG 2.9Å; D340-H445 IonicContact OD1-ND1 2.6Å; D340-H445 PolarHBondContact OD1-ND1 2.92Å
341T69.4Low75.9Confident62 Ų6241.6 Ų41.638%0.3824%0.235SC..SBendtrans-78.3172.2179.361.50000111.3K337 S339 S343K337-T341 PolarHBondContact NZ-O 3.18Å; S339-T341 PolarHBondContact O-N 3.02Å; S339-T341 WeakPolarHBondContact OG-CG2 3.05Å; S339-T341 PolarHBondContact OG-OG1 2.89Å; T341-S343 PolarHBondContact O-N 2.58Å
342D65.7Low76.4Confident77 Ų7736 Ų3641%0.41220%0.198SC..SBendtrans-80.5-7.8173.5-56.7-28.3000111.9K448D342-K448 WeakPolarHBondContact OD1-CD 3.26Å; D342-K448 WeakPolarHBondContact OD1-CE 3.36Å; D342-K448 IonicContact OD1-NZ 3.23Å; D342-K448 PolarHBondContact OD1-NZ 3.03Å
343S64Low77Confident45 Ų4530.7 Ų30.732%0.31518%0.175SC..  trans-75.3143.7171.9-175.10000111.4K337 T341 G345K337-S343 PolarHBondContact NZ-O 2.8Å; T341-S343 PolarHBondContact O-N 2.58Å; S343-G345 PolarHBondContact OG-N 2.82Å
344Y67.1Low77.2Confident5 Ų532.7 Ų32.72%0.0219%0.189CC..  trans-106.7-1.8171.7-57.4-67.2000112.5V335 D346 G347 F348 M447 K448 I489 S493V335-Y344 HydrophobicContact CB-CD1 4.47Å; V335-Y344 HydrophobicContact CG1-CD1 3.93Å; V335-Y344 HydrophobicContact CG1-CE1 4Å; V335-Y344 HydrophobicContact CG2-CD1 4.23Å; Y344-D346 VanDerWaalsContact C-N 3.26Å; Y344-D346 PolarHBondContact O-N 2.96Å; Y344-G347 PolarHBondContact O-N 2.8Å; Y344-F348 WeakPolarHBondContact O-CD2 3.12Å; Y344-M447 HydrophobicContact CE1-CE 4.23Å; Y344-M447 HydrophobicContact CE1-CG 3.91Å; Y344-M447 VanDerWaalsContact OH-CG 3.24Å; Y344-M447 WeakPolarHBondContact OH-CG 3.48Å; Y344-K448 PolarHBondContact OH-N 3.05Å; Y344-K448 PolarHBondContact OH-O 2.94Å; Y344-I489 HydrophobicContact CE2-CG2 3.86Å; Y344-S493 VanDerWaalsContact CD2-OG 3.25Å; Y344-S493 WeakPolarHBondContact CD2-OG 3.42Å
345G61.4Low77.3Confident24 Ų2432 Ų3225%0.24719%0.186CC..G310 helixtrans-61.9-32.6-174.300000113.6S343 G347 F348S343-G345 PolarHBondContact OG-N 2.82Å; G345-G347 VanDerWaalsContact C-N 3.28Å; G345-G347 PolarHBondContact O-N 2.81Å; G345-F348 PolarHBondContact O-N 3.16Å
346D67.8Low77.5Confident47 Ų4732.3 Ų32.325%0.25119%0.187SC..G310 helixtrans-79.9-5.717770.1-24.5000113.9K338 S339 Y344K338-D346 HydrophobicContact CB-CB 4.25Å; K338-D346 PolarHBondContact N-OD2 3.21Å; S339-D346 WeakPolarHBondContact CA-OD2 3.21Å; S339-D346 VanDerWaalsContact CB-OD2 3.27Å; S339-D346 WeakPolarHBondContact CB-OD2 3.22Å; S339-D346 PolarHBondContact N-OD2 2.8Å; S339-D346 PolarHBondContact OG-OD2 2.76Å; Y344-D346 VanDerWaalsContact C-N 3.26Å; Y344-D346 PolarHBondContact O-N 2.96Å
347G73.1Confident77.5Confident1 Ų136.7 Ų36.71%0.0121%0.208CC..G310 helixtrans-85.6-12.6169.900000113.7L336 K337 Y344 G345 I349L336-G347 VanDerWaalsContact O-CA 3.29Å; L336-G347 WeakPolarHBondContact O-CA 3.37Å; K337-G347 VanDerWaalsContact CB-CA 3.5Å; Y344-G347 PolarHBondContact O-N 2.8Å; G345-G347 VanDerWaalsContact C-N 3.28Å; G345-G347 PolarHBondContact O-N 2.81Å; G347-I349 PolarHBondContact O-N 3.42Å
348F74.5Confident77.7Confident23 Ų2343.5 Ų43.510%0.10124%0.24CC..  trans-84.5115.6179.9-84.5-74.8000111.8S322 V323 I324 Y344 G345 T350 L397 M417 I490 I494S322-F348 WeakPolarHBondContact OG-CB 3.27Å; S322-F348 WeakPolarHBondContact OG-CD1 2.97Å; V323-F348 WeakPolarHBondContact O-CA 3.43Å; I324-F348 HydrophobicContact CB-CD1 3.83Å; I324-F348 HydrophobicContact CB-CD2 4.43Å; I324-F348 HydrophobicContact CB-CE1 3.63Å; I324-F348 HydrophobicContact CB-CE2 4.21Å; I324-F348 HydrophobicContact CB-CG 4.26Å; I324-F348 HydrophobicContact CB-CZ 3.82Å; I324-F348 HydrophobicContact CD1-CD2 4.07Å; I324-F348 HydrophobicContact CD1-CE2 3.78Å; I324-F348 HydrophobicContact CD1-CZ 4.14Å; I324-F348 HydrophobicContact CG2-CD1 4.2Å; I324-F348 HydrophobicContact CG2-CE1 3.46Å; I324-F348 VanDerWaalsContact CG2-CE1 3.46Å; I324-F348 HydrophobicContact CG2-CE2 4.2Å; I324-F348 HydrophobicContact CG2-CZ 3.45Å; I324-F348 VanDerWaalsContact CG2-CZ 3.45Å; Y344-F348 WeakPolarHBondContact O-CD2 3.12Å; G345-F348 PolarHBondContact O-N 3.16Å; F348-T350 PolarHBondContact O-N 3.05Å; F348-L397 HydrophobicContact CE1-CD1 4.16Å; F348-L397 HydrophobicContact CZ-CD1 3.84Å; F348-M417 HydrophobicContact CD1-CE 3.68Å; F348-M417 HydrophobicContact CD2-CE 4.37Å; F348-M417 HydrophobicContact CE1-CE 3.7Å; F348-M417 HydrophobicContact CE2-CE 4.41Å; F348-M417 HydrophobicContact CG-CE 4.01Å; F348-M417 HydrophobicContact CZ-CE 4.08Å; F348-I490 HydrophobicContact CE2-CG2 3.77Å; F348-I490 HydrophobicContact CZ-CG2 3.58Å; F348-I494 HydrophobicContact CD2-CD1 4.04Å; F348-I494 HydrophobicContact CD2-CG1 3.88Å; F348-I494 HydrophobicContact CE1-CD1 4.05Å; F348-I494 HydrophobicContact CE2-CD1 3.15Å; F348-I494 HydrophobicContact CE2-CG1 3.3Å; F348-I494 HydrophobicContact CZ-CD1 3.14Å; F348-I494 HydrophobicContact CZ-CG1 3.89Å
349I80.2Confident78.3Confident9 Ų940.3 Ų40.35%0.04623%0.226CC..EExtended strand (participates in β ladder)trans-92.8101175.1-50.4177.8000108S322 V323 F325 G347 P365 M436 F440 L442S322-I349 WeakPolarHBondContact CA-O 3.26Å; V323-I349 HydrophobicContact CG2-CB 4.05Å; V323-I349 PolarHBondContact N-O 3.3Å; V323-I349 PolarHBondContact O-N 2.67Å; F325-I349 HydrophobicContact CE2-CD1 4.17Å; G347-I349 PolarHBondContact O-N 3.42Å; I349-P365 HydrophobicContact CG2-CB 4.17Å; I349-P365 HydrophobicContact CG2-CG 3.4Å; I349-M436 HydrophobicContact CD1-CE 4.21Å; I349-M436 HydrophobicContact CD1-CG 3.95Å; I349-M436 HydrophobicContact CD1-SD 3.19Å; I349-M436 WeakPolarHBondContact CD1-SD 3.23Å; I349-F440 HydrophobicContact CG2-CE1 4.33Å; I349-F440 HydrophobicContact CG2-CE2 4.31Å; I349-F440 HydrophobicContact CG2-CZ 4.06Å; I349-L442 HydrophobicContact CD1-CD1 3.51Å; I349-L442 HydrophobicContact CG1-CD1 4.06Å
350T78.8Confident79.3Confident33 Ų3338.8 Ų38.820%0.20222%0.216CC..EExtended strand (participates in β ladder)trans-104140-176.2-52.50000111.3R321 S322 F348 L415 I504R321-T350 VanDerWaalsContact O-CA 3.31Å; R321-T350 WeakPolarHBondContact O-CA 3.15Å; S322-T350 VanDerWaalsContact CB-OG1 3.32Å; S322-T350 WeakPolarHBondContact CB-OG1 3.35Å; S322-T350 PolarHBondContact OG-OG1 3.05Å; F348-T350 PolarHBondContact O-N 3.05Å; T350-L415 HydrophobicContact CG2-CD1 4.07Å; T350-I504 HydrophobicContact CG2-CG1 4.41Å
351G79.5Confident80Confident8 Ų834 Ų348%0.08219%0.19CC..EExtended strand (participates in β ladder)trans-174.8175.7168.500000113.3M320 R321M320-G351 CarbonylContact C-O 3.31Å; M320-G351 VanDerWaalsContact CA-O 3.29Å; M320-G351 WeakPolarHBondContact CA-O 3.4Å; R321-G351 PolarHBondContact N-O 2.87Å; R321-G351 PolarHBondContact O-N 3.39Å
352H84.9Confident80.9Confident29 Ų2931.2 Ų31.213%0.13417%0.173CC..EExtended strand (participates in β ladder)trans-67.2146.5-179.8-174.9-87.9000112.1F253 D363F253-H352 HydrophobicContact CE1-CB 4.11Å; H352-D363 PolarHBondContact O-N 3.43Å
353I89.4Confident81.8Confident1 Ų130.9 Ų30.91%0.00517%0.171CC..  trans-133.1144.8172.359169.5000109.8H319 R321 P356 Q359H319-I353 HydrophobicContact CB-CD1 4.25Å; H319-I353 HydrophobicContact CB-CG1 3.74Å; H319-I353 WeakPolarHBondContact O-CG1 3.41Å; H319-I353 PolarHBondContact O-N 3.09Å; R321-I353 HydrophobicContact CB-CD1 4.11Å; R321-I353 HydrophobicContact CB-CG2 3.91Å; I353-P356 HydrophobicContact CD1-CB 3.84Å; I353-Q359 HydrophobicContact CB-CG 4.27Å; I353-Q359 HydrophobicContact CG2-CG 4.07Å
354C85.4Confident82.8Confident57 Ų5730.5 Ų30.539%0.38517%0.166SC..SBendtrans-82.5-37.1180-68.30000112.7Y277Y277-C354 WeakPolarHBondContact CB-O 3.23Å
355N90.3Very high83.9Confident22 Ų2230.5 Ų30.512%0.11817%0.166CC..  trans-136.1102.4-178.3-173.5-8.9000111.1Y277 E357 E358 Q359Y277-N355 VanDerWaalsContact CD2-OD1 3.23Å; Y277-N355 WeakPolarHBondContact CD2-OD1 3.42Å; N355-E357 PolarHBondContact O-N 3.35Å; N355-E357 WeakPolarHBondContact OD1-CB 3.41Å; N355-E357 PolarHBondContact OD1-N 3.04Å; N355-E358 HydrophobicContact CB-CB 4.33Å; N355-E358 WeakPolarHBondContact ND2-CG 3.38Å; N355-E358 PolarHBondContact ND2-OE2 2.98Å; N355-E358 VanDerWaalsContact ND2-OE2 3.09Å; N355-E358 PolarHBondContact O-N 2.96Å; N355-E358 VanDerWaalsContact O-N 3.16Å; N355-Q359 WeakPolarHBondContact O-CB 3.29Å; N355-Q359 PolarHBondContact O-N 2.71Å
356P91.3Very high85.5Confident6 Ų630.7 Ų30.74%0.03916%0.161CC..THydrogen-bonded Turntrans-58.5-27.2176.824-33.3000114Y277 L281 H319 R321 I353 R391Y277-P356 HydrophobicContact CD1-CG 3.54Å; Y277-P356 HydrophobicContact CD2-CG 4.29Å; Y277-P356 HydrophobicContact CE1-CG 3.57Å; Y277-P356 HydrophobicContact CE2-CG 4.36Å; Y277-P356 HydrophobicContact CG-CG 3.9Å; L281-P356 HydrophobicContact CD2-CB 3.63Å; L281-P356 HydrophobicContact CD2-CG 3.82Å; H319-P356 HydrophobicContact CB-CG 4.46Å; R321-P356 PolarHBondContact NH2-O 3.5Å; I353-P356 HydrophobicContact CD1-CB 3.84Å; P356-R391 PolarHBondContact O-NH2 2.95Å
357E89Confident86.7Confident93 Ų9334 Ų3444%0.43517%0.174SC..THydrogen-bonded Turntrans-78.2-14.1179.9-71.4-175.6-166.100113.9Y277 K279 N355 R391Y277-E357 HydrophobicContact CE2-CB 4.22Å; Y277-E357 VanDerWaalsContact CE2-CD 3.44Å; Y277-E357 HydrophobicContact CE2-CG 3.6Å; Y277-E357 WeakPolarHBondContact CE2-OE1 2.99Å; Y277-E357 PolarHBondContact OH-OE1 2.83Å; K279-E357 IonicContact NZ-OE1 3.39Å; N355-E357 PolarHBondContact O-N 3.35Å; N355-E357 WeakPolarHBondContact OD1-CB 3.41Å; N355-E357 PolarHBondContact OD1-N 3.04Å; E357-R391 VanDerWaalsContact C-CZ 3.48Å; E357-R391 PolarHBondContact O-NH1 3.25Å; E357-R391 PolarHBondContact O-NH2 3.29Å
358E88.4Confident87.7Confident145 Ų14535 Ų3568%0.67818%0.178SC*.THydrogen-bonded Turntrans-124.4-46.8-175.9-69.8-179163.200113.4N355 A360 R391N355-E358 HydrophobicContact CB-CB 4.33Å; N355-E358 WeakPolarHBondContact ND2-CG 3.38Å; N355-E358 PolarHBondContact ND2-OE2 2.98Å; N355-E358 VanDerWaalsContact ND2-OE2 3.09Å; N355-E358 PolarHBondContact O-N 2.96Å; N355-E358 VanDerWaalsContact O-N 3.16Å; E358-A360 PolarHBondContact O-N 3.09Å; E358-R391 PolarHBondContact O-NH1 3.05Å
359Q91.8Very high88.7Confident26 Ų2633.9 Ų33.912%0.12117%0.174CC..  trans-78.6120.5-168.9177.9169-12.600111.1R321 I353 N355 F361 D363 L366R321-Q359 VanDerWaalsContact CZ-O 3.31Å; R321-Q359 PolarHBondContact NH1-O 3.41Å; I353-Q359 HydrophobicContact CB-CG 4.27Å; I353-Q359 HydrophobicContact CG2-CG 4.07Å; N355-Q359 WeakPolarHBondContact O-CB 3.29Å; N355-Q359 PolarHBondContact O-N 2.71Å; Q359-F361 WeakPolarHBondContact CG-O 3.22Å; Q359-F361 PolarHBondContact NE2-O 2.8Å; Q359-D363 PolarHBondContact NE2-OD1 2.95Å; Q359-L366 HydrophobicContact CG-CD2 4.12Å
360A93.9Very high89.5Confident2 Ų236.3 Ų36.32%0.01718%0.184CC..  trans-74.1-37.8-175.800000114.2R321 E358 I387 R391 F394R321-A360 WeakPolarHBondContact CD-O 3.46Å; R321-A360 PolarHBondContact NH1-O 3.02Å; E358-A360 PolarHBondContact O-N 3.09Å; A360-I387 HydrophobicContact CB-CG2 3.62Å; A360-R391 HydrophobicContact CB-CB 3.93Å; A360-R391 HydrophobicContact CB-CG 4.04Å; A360-F394 HydrophobicContact CB-CE2 4.21Å; A360-F394 HydrophobicContact CB-CZ 4.34Å
361F93.8Very high90.3Very high0 Ų037.7 Ų37.70%019%0.188CC..SBendtrans-133.3158.4-171.8-61.2-73.6000110.5V323 F325 Q359 P365 L366 I369 F394 V420 L428V323-F361 HydrophobicContact CB-CD1 4.41Å; V323-F361 HydrophobicContact CB-CE1 4.44Å; V323-F361 HydrophobicContact CG1-CD1 3.96Å; V323-F361 HydrophobicContact CG1-CE1 4.17Å; V323-F361 HydrophobicContact CG2-CD1 3.85Å; V323-F361 HydrophobicContact CG2-CE1 4.11Å; F325-F361 HydrophobicContact CE1-CE1 4.14Å; F325-F361 HydrophobicContact CE1-CZ 4.3Å; F325-F361 HydrophobicContact CE2-CE1 4.5Å; F325-F361 HydrophobicContact CZ-CD1 4.39Å; F325-F361 AromaticContact CZ-CE1 3.56Å; F325-F361 HydrophobicContact CZ-CE1 3.56Å; F325-F361 HydrophobicContact CZ-CZ 4.07Å; Q359-F361 WeakPolarHBondContact CG-O 3.22Å; Q359-F361 PolarHBondContact NE2-O 2.8Å; F361-P365 HydrophobicContact CB-CB 4.32Å; F361-L366 HydrophobicContact CB-CB 4.04Å; F361-L366 HydrophobicContact CB-CD1 4.5Å; F361-L366 HydrophobicContact CD2-CD1 4.1Å; F361-I369 HydrophobicContact CB-CD1 4.3Å; F361-I369 HydrophobicContact CD1-CD1 3.93Å; F361-I369 HydrophobicContact CD2-CD1 3.36Å; F361-I369 HydrophobicContact CE1-CD1 4.04Å; F361-I369 HydrophobicContact CE2-CD1 3.49Å; F361-I369 VanDerWaalsContact CE2-CD1 3.49Å; F361-I369 HydrophobicContact CG-CD1 3.59Å; F361-I369 HydrophobicContact CZ-CD1 3.81Å; F361-F394 AromaticContact CE1-CE2 3.98Å; F361-F394 HydrophobicContact CE1-CE2 3.98Å; F361-F394 AromaticContact CE1-CZ 3.62Å; F361-F394 HydrophobicContact CE1-CZ 3.62Å; F361-F394 AromaticContact CE2-CZ 3.92Å; F361-F394 HydrophobicContact CE2-CZ 3.92Å; F361-F394 HydrophobicContact CZ-CE1 4.12Å; F361-F394 HydrophobicContact CZ-CE2 4.04Å; F361-F394 AromaticContact CZ-CZ 3.28Å; F361-F394 HydrophobicContact CZ-CZ 3.28Å; F361-V420 HydrophobicContact CE1-CG2 4.27Å; F361-L428 HydrophobicContact CE2-CD1 4.22Å; F361-L428 HydrophobicContact CE2-CD2 4.11Å; F361-L428 HydrophobicContact CZ-CD1 4.41Å; F361-L428 HydrophobicContact CZ-CD2 3.62Å
362P88.7Confident91.1Very high3 Ų337.3 Ų37.32%0.01918%0.184CC..  trans-53.9154.4169.4-2434.9000112.6R321 L364 P365 L366R321-P362 HydrophobicContact CB-CG 4.4Å; R321-P362 WeakPolarHBondContact O-CG 3.49Å; P362-L364 VanDerWaalsContact C-N 3.35Å; P362-L364 PolarHBondContact O-N 2.83Å; P362-P365 HydrophobicContact CB-CG 4.03Å; P362-P365 HydrophobicContact CG-CG 4.37Å; P362-P365 VanDerWaalsContact O-CD 3.29Å; P362-P365 WeakPolarHBondContact O-CD 3.47Å; P362-L366 VanDerWaalsContact O-CB 3.31Å; P362-L366 WeakPolarHBondContact O-CB 3.35Å; P362-L366 PolarHBondContact O-N 3.43Å
363D84.3Confident91.7Very high69 Ų6936 Ų3637%0.36918%0.178SC..Hα-helixtrans-50.2-49-168.1-72.5-15.5000114.2H352 Q359 K367H352-D363 PolarHBondContact O-N 3.43Å; Q359-D363 PolarHBondContact NE2-OD1 2.95Å; D363-K367 PolarHBondContact O-N 2.9Å
364L84.7Confident92Very high38 Ų3841.1 Ų41.120%0.19920%0.2CC..Hα-helixtrans-71.3-53.2-179166.179.4000112.8P362 L366 K367 L368 F440 W514P362-L364 VanDerWaalsContact C-N 3.35Å; P362-L364 PolarHBondContact O-N 2.83Å; L364-L366 PolarHBondContact O-N 3.35Å; L364-K367 WeakPolarHBondContact O-CB 3.43Å; L364-K367 PolarHBondContact O-N 3.28Å; L364-L368 HydrophobicContact CD1-CD1 4.06Å; L364-L368 HydrophobicContact CD1-CG 4.16Å; L364-L368 HydrophobicContact CG-CD1 4.11Å; L364-L368 WeakPolarHBondContact O-CG 3.34Å; L364-L368 PolarHBondContact O-N 3.49Å; L364-F440 HydrophobicContact CD2-CE1 4.4Å; L364-F440 HydrophobicContact CD2-CE2 4.18Å; L364-F440 HydrophobicContact CD2-CZ 3.58Å; L364-F440 HydrophobicContact CG-CZ 4.32Å; L364-W514 HydrophobicContact CD1-CD2 4.27Å; L364-W514 HydrophobicContact CD1-CE3 4Å; L364-W514 HydrophobicContact CD1-CH2 3.89Å; L364-W514 HydrophobicContact CD1-CZ2 4.21Å; L364-W514 HydrophobicContact CD1-CZ3 3.76Å; L364-W514 HydrophobicContact CD2-CD2 4.02Å; L364-W514 HydrophobicContact CD2-CE3 4.37Å; L364-W514 HydrophobicContact CD2-CH2 3.38Å; L364-W514 HydrophobicContact CD2-CZ2 2.95Å; L364-W514 HydrophobicContact CD2-CZ3 4.07Å; L364-W514 HydrophobicContact CG-CH2 4.21Å; L364-W514 HydrophobicContact CG-CZ2 4.14Å
365P90.6Very high92.4Very high5 Ų544.3 Ų44.33%0.03221%0.21CC..Hα-helixtrans-50.9-42171.8-29.433.6000112.5I349 F361 P362 K367 L368 I369 F440I349-P365 HydrophobicContact CG2-CB 4.17Å; I349-P365 HydrophobicContact CG2-CG 3.4Å; F361-P365 HydrophobicContact CB-CB 4.32Å; P362-P365 HydrophobicContact CB-CG 4.03Å; P362-P365 HydrophobicContact CG-CG 4.37Å; P362-P365 VanDerWaalsContact O-CD 3.29Å; P362-P365 WeakPolarHBondContact O-CD 3.47Å; P365-K367 PolarHBondContact O-N 2.94Å; P365-L368 PolarHBondContact O-N 2.75Å; P365-I369 VanDerWaalsContact O-CB 3.32Å; P365-I369 WeakPolarHBondContact O-CB 3.24Å; P365-I369 WeakPolarHBondContact O-CD1 3.2Å; P365-I369 WeakPolarHBondContact O-CG1 3.49Å; P365-I369 PolarHBondContact O-N 2.8Å; P365-F440 HydrophobicContact CG-CE2 4.07Å; P365-F440 HydrophobicContact CG-CZ 3.99Å
366L94.5Very high92.5Very high27 Ų2748.5 Ų48.514%0.14123%0.228CC..Hα-helixtrans-60.6-45176.4-176.360.2000111.8Q359 F361 P362 L364 I369 K370 I387Q359-L366 HydrophobicContact CG-CD2 4.12Å; F361-L366 HydrophobicContact CB-CB 4.04Å; F361-L366 HydrophobicContact CB-CD1 4.5Å; F361-L366 HydrophobicContact CD2-CD1 4.1Å; P362-L366 VanDerWaalsContact O-CB 3.31Å; P362-L366 WeakPolarHBondContact O-CB 3.35Å; P362-L366 PolarHBondContact O-N 3.43Å; L364-L366 PolarHBondContact O-N 3.35Å; L366-I369 PolarHBondContact O-N 3.43Å; L366-K370 HydrophobicContact CG-CD 4.46Å; L366-K370 WeakPolarHBondContact O-CG 3.47Å; L366-K370 PolarHBondContact O-N 3.09Å; L366-I387 HydrophobicContact CD1-CD1 3.96Å; L366-I387 HydrophobicContact CD1-CG2 4.19Å
367K92.6Very high92.6Very high118 Ų11849.1 Ų49.151%0.51323%0.23SC..Hα-helixtrans-59-50.8175.8-176.4-173.8174.7-168.80111.3D363 L364 P365 I369 K370 E371D363-K367 PolarHBondContact O-N 2.9Å; L364-K367 WeakPolarHBondContact O-CB 3.43Å; L364-K367 PolarHBondContact O-N 3.28Å; P365-K367 PolarHBondContact O-N 2.94Å; K367-I369 VanDerWaalsContact C-N 3.32Å; K367-I369 PolarHBondContact O-N 2.87Å; K367-K370 PolarHBondContact O-N 3.4Å; K367-E371 WeakPolarHBondContact CE-OE1 3.3Å; K367-E371 WeakPolarHBondContact O-CG 3.26Å; K367-E371 PolarHBondContact O-N 3.24Å
368L94.2Very high92.7Very high21 Ų2149.9 Ų49.911%0.1124%0.244CC..Hα-helixtrans-64.4-35.8-179.8-64173.8000112.4L364 P365 S372 K435 M436 A439 F440L364-L368 HydrophobicContact CD1-CD1 4.06Å; L364-L368 HydrophobicContact CD1-CG 4.16Å; L364-L368 HydrophobicContact CG-CD1 4.11Å; L364-L368 WeakPolarHBondContact O-CG 3.34Å; L364-L368 PolarHBondContact O-N 3.49Å; P365-L368 PolarHBondContact O-N 2.75Å; L368-S372 PolarHBondContact O-N 3.39Å; L368-S372 PolarHBondContact O-OG 3.25Å; L368-K435 HydrophobicContact CB-CB 4.26Å; L368-K435 HydrophobicContact CD2-CB 4.24Å; L368-M436 HydrophobicContact CB-CB 4.26Å; L368-A439 HydrophobicContact CD1-CB 3.51Å; L368-F440 HydrophobicContact CD1-CD2 4.44Å; L368-F440 HydrophobicContact CD1-CE2 3.97Å
369I96.5Very high93Very high0 Ų047.3 Ų47.30%023%0.234CC..Hα-helixtrans-64.1-48.7174.1-72165.1000110.8F361 P365 L366 K367 E371 S372 L373 I387 L428 G432 M436F361-I369 HydrophobicContact CB-CD1 4.3Å; F361-I369 HydrophobicContact CD1-CD1 3.93Å; F361-I369 HydrophobicContact CD2-CD1 3.36Å; F361-I369 HydrophobicContact CE1-CD1 4.04Å; F361-I369 HydrophobicContact CE2-CD1 3.49Å; F361-I369 VanDerWaalsContact CE2-CD1 3.49Å; F361-I369 HydrophobicContact CG-CD1 3.59Å; F361-I369 HydrophobicContact CZ-CD1 3.81Å; P365-I369 VanDerWaalsContact O-CB 3.32Å; P365-I369 WeakPolarHBondContact O-CB 3.24Å; P365-I369 WeakPolarHBondContact O-CD1 3.2Å; P365-I369 WeakPolarHBondContact O-CG1 3.49Å; P365-I369 PolarHBondContact O-N 2.8Å; L366-I369 PolarHBondContact O-N 3.43Å; K367-I369 VanDerWaalsContact C-N 3.32Å; K367-I369 PolarHBondContact O-N 2.87Å; I369-E371 VanDerWaalsContact C-N 3.32Å; I369-E371 PolarHBondContact O-N 2.94Å; I369-S372 PolarHBondContact O-N 2.79Å; I369-L373 HydrophobicContact CG2-CD1 3.83Å; I369-L373 HydrophobicContact CG2-CG 4.33Å; I369-L373 WeakPolarHBondContact O-CB 3.37Å; I369-L373 WeakPolarHBondContact O-CG 3.3Å; I369-L373 PolarHBondContact O-N 2.85Å; I369-I387 HydrophobicContact CG2-CD1 4.43Å; I369-L428 HydrophobicContact CG2-CD1 3.51Å; I369-G432 VanDerWaalsContact CA-O 3.27Å; I369-G432 WeakPolarHBondContact CA-O 3.35Å; I369-G432 WeakPolarHBondContact CG1-O 3.37Å; I369-M436 HydrophobicContact CD1-CE 3.43Å; I369-M436 VanDerWaalsContact CD1-CE 3.43Å; I369-M436 HydrophobicContact CG1-CE 3.47Å; I369-M436 VanDerWaalsContact CG1-CE 3.47Å
370K96.7Very high93.1Very high59 Ų5950 Ų5026%0.25725%0.247SC..Hα-helixtrans-60.1-44.1177.8-75.2-179.3173.5-167.10111.3L366 K367 S372 L373 K374 I383 E384 I387L366-K370 HydrophobicContact CG-CD 4.46Å; L366-K370 WeakPolarHBondContact O-CG 3.47Å; L366-K370 PolarHBondContact O-N 3.09Å; K367-K370 PolarHBondContact O-N 3.4Å; K370-S372 VanDerWaalsContact C-N 3.34Å; K370-S372 PolarHBondContact O-N 3.02Å; K370-L373 PolarHBondContact O-N 3.17Å; K370-K374 WeakPolarHBondContact O-CB 3.29Å; K370-K374 PolarHBondContact O-N 3.36Å; K370-I383 HydrophobicContact CB-CG2 4.48Å; K370-I383 HydrophobicContact CG-CG2 4.05Å; K370-E384 WeakPolarHBondContact CE-OE1 3.35Å; K370-E384 IonicContact NZ-OE1 3.88Å; K370-E384 PolarHBondContact NZ-OE1 2.81Å; K370-I387 HydrophobicContact CD-CD1 4.47Å; K370-I387 HydrophobicContact CG-CD1 3.66Å
371E95.5Very high93.2Very high63 Ų6353.1 Ų53.129%0.29427%0.272SS..Hα-helixtrans-61.5-39.9176.3-73.9-179.4-158.300112.9K367 I369 K435K367-E371 WeakPolarHBondContact CE-OE1 3.3Å; K367-E371 WeakPolarHBondContact O-CG 3.26Å; K367-E371 PolarHBondContact O-N 3.24Å; I369-E371 VanDerWaalsContact C-N 3.32Å; I369-E371 PolarHBondContact O-N 2.94Å; E371-K435 HydrophobicContact CB-CD 3.64Å; E371-K435 WeakPolarHBondContact OE2-CD 3.23Å; E371-K435 IonicContact OE2-NZ 3.55Å; E371-K435 PolarHBondContact OE2-NZ 2.96Å
372S96.6Very high93.3Very high0 Ų058.5 Ų58.50%029%0.293CS..Hα-helixtrans-67.9-45.1175.9-54.20000111.2L368 I369 K370 K374 Q375 H431 K435L368-S372 PolarHBondContact O-N 3.39Å; L368-S372 PolarHBondContact O-OG 3.25Å; I369-S372 PolarHBondContact O-N 2.79Å; K370-S372 VanDerWaalsContact C-N 3.34Å; K370-S372 PolarHBondContact O-N 3.02Å; S372-K374 VanDerWaalsContact C-N 3.26Å; S372-K374 PolarHBondContact O-N 2.84Å; S372-Q375 WeakPolarHBondContact O-CB 2.92Å; S372-Q375 PolarHBondContact O-N 3.26Å; S372-H431 CarbonylContact C-O 3.59Å; S372-H431 VanDerWaalsContact C-O 3.31Å; S372-H431 VanDerWaalsContact CB-O 3.27Å; S372-H431 WeakPolarHBondContact CB-O 3.27Å; S372-K435 VanDerWaalsContact OG-CB 3.3Å; S372-K435 WeakPolarHBondContact OG-CB 3.33Å; S372-K435 WeakPolarHBondContact OG-CG 3.42Å; S372-K435 PolarHBondContact OG-N 2.58Å
373L97.3Very high93.7Very high0 Ų058.3 Ų58.30%029%0.292CS..Hα-helixtrans-62.4-34.2177.7-71.9173.6000112.5I369 K370 Q375 E376 F377 I383 I386 I387 L428 H431I369-L373 HydrophobicContact CG2-CD1 3.83Å; I369-L373 HydrophobicContact CG2-CG 4.33Å; I369-L373 WeakPolarHBondContact O-CB 3.37Å; I369-L373 WeakPolarHBondContact O-CG 3.3Å; I369-L373 PolarHBondContact O-N 2.85Å; K370-L373 PolarHBondContact O-N 3.17Å; L373-Q375 PolarHBondContact O-N 3.12Å; L373-E376 PolarHBondContact O-N 2.92Å; L373-E376 VanDerWaalsContact O-N 3.1Å; L373-F377 HydrophobicContact CD2-CD2 4.23Å; L373-F377 HydrophobicContact CD2-CE2 4.25Å; L373-F377 PolarHBondContact O-N 3.4Å; L373-I383 HydrophobicContact CB-CD1 4.4Å; L373-I383 HydrophobicContact CB-CG1 4.12Å; L373-I383 HydrophobicContact CB-CG2 4.2Å; L373-I383 HydrophobicContact CD1-CG2 3.95Å; L373-I386 HydrophobicContact CD1-CG2 4.2Å; L373-I386 HydrophobicContact CD2-CG2 4.41Å; L373-I387 HydrophobicContact CD1-CD1 4.24Å; L373-I387 HydrophobicContact CD1-CG1 4.02Å; L373-L428 HydrophobicContact CD1-CD1 4.43Å; L373-H431 HydrophobicContact CD2-CB 4.01Å
374K96.3Very high94.2Very high110 Ų11058.9 Ų58.948%0.47829%0.292SS..Hα-helixtrans-64.7-24179.3-168.3166.5-173.3155.10113.5K370 S372 E376 E380 I383K370-K374 WeakPolarHBondContact O-CB 3.29Å; K370-K374 PolarHBondContact O-N 3.36Å; S372-K374 VanDerWaalsContact C-N 3.26Å; S372-K374 PolarHBondContact O-N 2.84Å; K374-E376 PolarHBondContact O-N 3.09Å; K374-E380 IonicContact NZ-OE1 3.92Å; K374-E380 PolarHBondContact NZ-OE1 2.98Å; K374-I383 HydrophobicContact CB-CD1 3.92Å; K374-I383 HydrophobicContact CG-CD1 4.37Å
375Q93.4Very high94.8Very high124 Ų12463.8 Ų63.858%0.57931%0.312SS*.Hα-helixtrans-65.9-30.3173.8-64.1175.8-16.400112S372 L373S372-Q375 WeakPolarHBondContact O-CB 2.92Å; S372-Q375 PolarHBondContact O-N 3.26Å; L373-Q375 PolarHBondContact O-N 3.12Å
376E92.7Very high95.1Very high110 Ų11064.3 Ų64.351%0.51431%0.314SS..Hα-helixtrans-105.7-29.8-176.3-69.7-74.5159.500112.8L373 K374 H431L373-E376 PolarHBondContact O-N 2.92Å; L373-E376 VanDerWaalsContact O-N 3.1Å; K374-E376 PolarHBondContact O-N 3.09Å; E376-H431 HydrophobicContact CB-CB 4.3Å; E376-H431 HydrophobicContact CG-CB 4.01Å; E376-H431 WeakPolarHBondContact CG-ND1 3.49Å; E376-H431 IonicContact OE2-CE1 3.97Å; E376-H431 IonicContact OE2-ND1 2.92Å
377F94.1Very high95.2Very high19 Ų1963.3 Ų63.38%0.08331%0.309CS..  trans-130.295.7-177.3-50.8-59.4000109.2L373 D379 R382 I383 I386 H431L373-F377 HydrophobicContact CD2-CD2 4.23Å; L373-F377 HydrophobicContact CD2-CE2 4.25Å; L373-F377 PolarHBondContact O-N 3.4Å; F377-D379 PolarHBondContact O-N 2.7Å; F377-R382 HydrophobicContact CB-CG 4.5Å; F377-R382 VanDerWaalsContact CD1-NE 3.28Å; F377-R382 VanDerWaalsContact CD1-NH2 3.32Å; F377-I383 HydrophobicContact CB-CG1 4.34Å; F377-I383 WeakPolarHBondContact O-CD1 3.48Å; F377-I386 HydrophobicContact CD2-CD1 3.56Å; F377-I386 HydrophobicContact CE2-CD1 3.72Å; F377-I386 HydrophobicContact CG-CD1 4.18Å; F377-I386 HydrophobicContact CZ-CD1 4.48Å; F377-H431 HydrophobicContact CE2-CB 4.21Å
378P90.5Very high95.3Very high109 Ų10964.5 Ų64.571%0.70831%0.314SS*.  trans-64.4-23.8-178.8-25.635.2000114.6E380P378-E380 PolarHBondContact O-N 3.32Å
379D94.6Very high95.4Very high91 Ų9167.1 Ų67.149%0.48733%0.328SS..  trans-78.2114-178.9171.537.8000112.5F377 A381 R382 I383F377-D379 PolarHBondContact O-N 2.7Å; D379-A381 VanDerWaalsContact C-N 3.31Å; D379-A381 PolarHBondContact O-N 3.14Å; D379-A381 PolarHBondContact OD1-N 2.76Å; D379-A381 VanDerWaalsContact OD1-N 3.16Å; D379-R382 HydrophobicContact CB-CB 4.08Å; D379-R382 WeakPolarHBondContact O-CB 3.26Å; D379-R382 PolarHBondContact O-N 2.94Å; D379-R382 WeakPolarHBondContact OD2-CB 3.41Å; D379-R382 PolarHBondContact OD2-N 3.49Å; D379-I383 WeakPolarHBondContact O-CG1 3.32Å; D379-I383 PolarHBondContact O-N 2.8Å; D379-I383 VanDerWaalsContact O-N 3.1Å
380E94.3Very high95.3Very high82 Ų8267.4 Ų67.438%0.38333%0.331SS..Hα-helixtrans-60-36.7178.5-68.4-68.2168.200112.4K374 P378 R382 I383 E384K374-E380 IonicContact NZ-OE1 3.92Å; K374-E380 PolarHBondContact NZ-OE1 2.98Å; P378-E380 PolarHBondContact O-N 3.32Å; E380-R382 VanDerWaalsContact C-N 3.31Å; E380-R382 PolarHBondContact O-N 2.9Å; E380-I383 WeakPolarHBondContact O-CB 3.24Å; E380-I383 PolarHBondContact O-N 2.9Å; E380-I383 VanDerWaalsContact O-N 3.16Å; E380-E384 WeakPolarHBondContact O-CG 3.48Å; E380-E384 PolarHBondContact O-N 2.83Å
381A96.1Very high95.2Very high67 Ų6767.9 Ų67.955%0.55433%0.331SS*.Hα-helixtrans-64.4-38.6179.300000111.6D379 K385D379-A381 VanDerWaalsContact C-N 3.31Å; D379-A381 PolarHBondContact O-N 3.14Å; D379-A381 PolarHBondContact OD1-N 2.76Å; D379-A381 VanDerWaalsContact OD1-N 3.16Å; A381-K385 WeakPolarHBondContact O-CB 3.25Å; A381-K385 PolarHBondContact O-N 3.01Å
382R96Very high95.1Very high113 Ų11371.9 Ų71.943%0.42635%0.347SS..Hα-helixtrans-66.3-40.4172.4178.9174176.5167.4-0.4112.3F377 D379 E380 K385 I386F377-R382 HydrophobicContact CB-CG 4.5Å; F377-R382 VanDerWaalsContact CD1-NE 3.28Å; F377-R382 VanDerWaalsContact CD1-NH2 3.32Å; D379-R382 HydrophobicContact CB-CB 4.08Å; D379-R382 WeakPolarHBondContact O-CB 3.26Å; D379-R382 PolarHBondContact O-N 2.94Å; D379-R382 WeakPolarHBondContact OD2-CB 3.41Å; D379-R382 PolarHBondContact OD2-N 3.49Å; E380-R382 VanDerWaalsContact C-N 3.31Å; E380-R382 PolarHBondContact O-N 2.9Å; R382-K385 PolarHBondContact O-N 2.78Å; R382-I386 HydrophobicContact CG-CD1 4.15Å; R382-I386 VanDerWaalsContact O-CG1 3.29Å; R382-I386 WeakPolarHBondContact O-CG1 3.15Å; R382-I386 PolarHBondContact O-N 2.7Å
383I96.5Very high95Very high0 Ų078.9 Ų78.90%037%0.374CS..Hα-helixtrans-59.1-50.6175-66.4174000110.2K370 L373 K374 F377 D379 E380 K385 I386 I387K370-I383 HydrophobicContact CB-CG2 4.48Å; K370-I383 HydrophobicContact CG-CG2 4.05Å; L373-I383 HydrophobicContact CB-CD1 4.4Å; L373-I383 HydrophobicContact CB-CG1 4.12Å; L373-I383 HydrophobicContact CB-CG2 4.2Å; L373-I383 HydrophobicContact CD1-CG2 3.95Å; K374-I383 HydrophobicContact CB-CD1 3.92Å; K374-I383 HydrophobicContact CG-CD1 4.37Å; F377-I383 HydrophobicContact CB-CG1 4.34Å; F377-I383 WeakPolarHBondContact O-CD1 3.48Å; D379-I383 WeakPolarHBondContact O-CG1 3.32Å; D379-I383 PolarHBondContact O-N 2.8Å; D379-I383 VanDerWaalsContact O-N 3.1Å; E380-I383 WeakPolarHBondContact O-CB 3.24Å; E380-I383 PolarHBondContact O-N 2.9Å; E380-I383 VanDerWaalsContact O-N 3.16Å; I383-K385 VanDerWaalsContact C-N 3.3Å; I383-K385 PolarHBondContact O-N 2.88Å; I383-I386 WeakPolarHBondContact O-CB 3.29Å; I383-I386 PolarHBondContact O-N 3.06Å; I383-I386 VanDerWaalsContact O-N 3.08Å; I383-I387 HydrophobicContact CG2-CD1 3.89Å; I383-I387 WeakPolarHBondContact O-CG1 3.1Å; I383-I387 PolarHBondContact O-N 3.33Å
384E95.7Very high94.7Very high80 Ų8079.9 Ų79.937%0.37438%0.378SS..Hα-helixtrans-59.9-41178.1-70.1-58.2158.900111.9K370 E380 I386 I387 K388K370-E384 WeakPolarHBondContact CE-OE1 3.35Å; K370-E384 IonicContact NZ-OE1 3.88Å; K370-E384 PolarHBondContact NZ-OE1 2.81Å; E380-E384 WeakPolarHBondContact O-CG 3.48Å; E380-E384 PolarHBondContact O-N 2.83Å; E384-I386 VanDerWaalsContact C-N 3.34Å; E384-I386 PolarHBondContact O-N 3.38Å; E384-I387 PolarHBondContact O-N 2.96Å; E384-K388 VanDerWaalsContact O-CB 3.23Å; E384-K388 WeakPolarHBondContact O-CB 3.14Å; E384-K388 PolarHBondContact O-N 2.93Å
385K96Very high94.1Very high141 Ų14176.9 Ų76.961%0.61337%0.369SS*.Hα-helixtrans-62.8-38.7175.2-171.6173.9-176.6174.60112.2A381 R382 I383 N389A381-K385 WeakPolarHBondContact O-CB 3.25Å; A381-K385 PolarHBondContact O-N 3.01Å; R382-K385 PolarHBondContact O-N 2.78Å; I383-K385 VanDerWaalsContact C-N 3.3Å; I383-K385 PolarHBondContact O-N 2.88Å; K385-N389 VanDerWaalsContact O-CB 3.23Å; K385-N389 WeakPolarHBondContact O-CB 3.45Å; K385-N389 PolarHBondContact O-N 2.85Å; K385-N389 PolarHBondContact O-ND2 3.39Å
386I96.7Very high93.5Very high16 Ų1674.1 Ų74.18%0.08236%0.355CS..Hα-helixtrans-62.8-49.4175.6-71.3163000110L373 F377 R382 I383 E384 N389 A390 K427 L428L373-I386 HydrophobicContact CD1-CG2 4.2Å; L373-I386 HydrophobicContact CD2-CG2 4.41Å; F377-I386 HydrophobicContact CD2-CD1 3.56Å; F377-I386 HydrophobicContact CE2-CD1 3.72Å; F377-I386 HydrophobicContact CG-CD1 4.18Å; F377-I386 HydrophobicContact CZ-CD1 4.48Å; R382-I386 HydrophobicContact CG-CD1 4.15Å; R382-I386 VanDerWaalsContact O-CG1 3.29Å; R382-I386 WeakPolarHBondContact O-CG1 3.15Å; R382-I386 PolarHBondContact O-N 2.7Å; I383-I386 WeakPolarHBondContact O-CB 3.29Å; I383-I386 PolarHBondContact O-N 3.06Å; I383-I386 VanDerWaalsContact O-N 3.08Å; E384-I386 VanDerWaalsContact C-N 3.34Å; E384-I386 PolarHBondContact O-N 3.38Å; I386-N389 PolarHBondContact O-N 3.49Å; I386-A390 WeakPolarHBondContact O-CB 3.45Å; I386-A390 PolarHBondContact O-N 2.72Å; I386-K427 HydrophobicContact CG1-CD 4.41Å; I386-K427 HydrophobicContact CG2-CB 4.25Å; I386-L428 HydrophobicContact CG2-CB 4.34Å
387I96.7Very high92.6Very high7 Ų769.2 Ų69.24%0.03633%0.332CS..Hα-helixtrans-64.3-47.6-178.6-65.3169.6000110.6A360 L366 I369 K370 L373 I383 E384 N389 A390 R391A360-I387 HydrophobicContact CB-CG2 3.62Å; L366-I387 HydrophobicContact CD1-CD1 3.96Å; L366-I387 HydrophobicContact CD1-CG2 4.19Å; I369-I387 HydrophobicContact CG2-CD1 4.43Å; K370-I387 HydrophobicContact CD-CD1 4.47Å; K370-I387 HydrophobicContact CG-CD1 3.66Å; L373-I387 HydrophobicContact CD1-CD1 4.24Å; L373-I387 HydrophobicContact CD1-CG1 4.02Å; I383-I387 HydrophobicContact CG2-CD1 3.89Å; I383-I387 WeakPolarHBondContact O-CG1 3.1Å; I383-I387 PolarHBondContact O-N 3.33Å; E384-I387 PolarHBondContact O-N 2.96Å; I387-N389 VanDerWaalsContact C-N 3.34Å; I387-N389 PolarHBondContact O-N 3.05Å; I387-A390 PolarHBondContact O-N 2.84Å; I387-R391 WeakPolarHBondContact O-CB 2.98Å; I387-R391 PolarHBondContact O-N 2.86Å
388K95.5Very high91.7Very high142 Ų14268.5 Ų68.562%0.61733%0.329SS*.Hα-helixtrans-58.8-43.3177.1-174.1174.8-174.8171.10112.1E384 K392E384-K388 VanDerWaalsContact O-CB 3.23Å; E384-K388 WeakPolarHBondContact O-CB 3.14Å; E384-K388 PolarHBondContact O-N 2.93Å; K388-K392 WeakPolarHBondContact O-CG 3.44Å; K388-K392 PolarHBondContact O-N 3.04Å
389N95Very high91.2Very high76 Ų7663.3 Ų63.341%0.40630%0.296SS..Hα-helixtrans-70.3-37.5177.4-74.7-21.6000112.5K385 I386 I387 K392K385-N389 VanDerWaalsContact O-CB 3.23Å; K385-N389 WeakPolarHBondContact O-CB 3.45Å; K385-N389 PolarHBondContact O-N 2.85Å; K385-N389 PolarHBondContact O-ND2 3.39Å; I386-N389 PolarHBondContact O-N 3.49Å; I387-N389 VanDerWaalsContact C-N 3.34Å; I387-N389 PolarHBondContact O-N 3.05Å; N389-K392 PolarHBondContact O-N 3.43Å
390A95.2Very high90.7Very high6 Ų659 Ų595%0.0527%0.272CS..Hα-helixtrans-63.5-44.8176.600000111.1I386 I387 K392 R393 F394 T425 L428I386-A390 WeakPolarHBondContact O-CB 3.45Å; I386-A390 PolarHBondContact O-N 2.72Å; I387-A390 PolarHBondContact O-N 2.84Å; A390-K392 VanDerWaalsContact C-N 3.3Å; A390-K392 PolarHBondContact O-N 2.87Å; A390-R393 WeakPolarHBondContact O-CA 3.33Å; A390-R393 WeakPolarHBondContact O-CB 3.46Å; A390-R393 PolarHBondContact O-N 3.22Å; A390-F394 VanDerWaalsContact C-CE1 3.48Å; A390-F394 HydrophobicContact CB-CE1 4.15Å; A390-F394 WeakPolarHBondContact O-CD1 3.47Å; A390-F394 VanDerWaalsContact O-CE1 3.26Å; A390-F394 WeakPolarHBondContact O-CE1 3.34Å; A390-F394 PolarHBondContact O-N 2.96Å; A390-T425 HydrophobicContact CB-CG2 3.85Å; A390-L428 HydrophobicContact CB-CB 4.15Å; A390-L428 HydrophobicContact CB-CD2 3.65Å; A390-L428 HydrophobicContact CB-CG 4.44Å
391R94.7Very high90.4Very high69 Ų6955 Ų5526%0.2625%0.254SS..Hα-helixtrans-56.4-40.8178.6-172.7-179.2171.1-135.5-15.8113P356 E357 E358 A360 I387 R393 F394P356-R391 PolarHBondContact O-NH2 2.95Å; E357-R391 VanDerWaalsContact C-CZ 3.48Å; E357-R391 PolarHBondContact O-NH1 3.25Å; E357-R391 PolarHBondContact O-NH2 3.29Å; E358-R391 PolarHBondContact O-NH1 3.05Å; A360-R391 HydrophobicContact CB-CB 3.93Å; A360-R391 HydrophobicContact CB-CG 4.04Å; I387-R391 WeakPolarHBondContact O-CB 2.98Å; I387-R391 PolarHBondContact O-N 2.86Å; R391-R393 PolarHBondContact O-N 3.35Å; R391-F394 HydrophobicContact CB-CE2 4.35Å; R391-F394 HydrophobicContact CB-CZ 4.39Å; R391-F394 HydrophobicContact CG-CD2 4.28Å; R391-F394 HydrophobicContact CG-CE2 4.26Å; R391-F394 WeakPolarHBondContact O-CB 3.37Å; R391-F394 PolarHBondContact O-N 2.94Å
392K94Very high89.4Confident147 Ų14752.1 Ų52.164%0.63923%0.229SC*.THydrogen-bonded Turntrans-60.4-14.9174.4-67.4176.9-179.5-1760114K388 N389 A390K388-K392 WeakPolarHBondContact O-CG 3.44Å; K388-K392 PolarHBondContact O-N 3.04Å; N389-K392 PolarHBondContact O-N 3.43Å; A390-K392 VanDerWaalsContact C-N 3.3Å; A390-K392 PolarHBondContact O-N 2.87Å
393R93.3Very high88.5Confident148 Ų14848.1 Ų48.156%0.55822%0.218SC*.THydrogen-bonded Turntrans-105.2-2.4179.6-55.4-56.5-170.9-178.22.4112.9A390 R391 P421 K424 T425A390-R393 WeakPolarHBondContact O-CA 3.33Å; A390-R393 WeakPolarHBondContact O-CB 3.46Å; A390-R393 PolarHBondContact O-N 3.22Å; R391-R393 PolarHBondContact O-N 3.35Å; R393-P421 WeakPolarHBondContact O-CD 3.39Å; R393-P421 VanDerWaalsContact O-CG 3.26Å; R393-P421 WeakPolarHBondContact O-CG 3.49Å; R393-K424 HydrophobicContact CB-CB 4.07Å; R393-K424 HydrophobicContact CG-CB 4.25Å; R393-T425 HydrophobicContact CB-CG2 3.83Å; R393-T425 HydrophobicContact CG-CG2 4.46Å
394F90.6Very high87.5Confident20 Ų2048.8 Ų48.89%0.08822%0.223CC..  trans-65.4146.3173.9-65.92.4000109.3A360 F361 A390 R391 F418 V419 V420 L428A360-F394 HydrophobicContact CB-CE2 4.21Å; A360-F394 HydrophobicContact CB-CZ 4.34Å; F361-F394 AromaticContact CE1-CE2 3.98Å; F361-F394 HydrophobicContact CE1-CE2 3.98Å; F361-F394 AromaticContact CE1-CZ 3.62Å; F361-F394 HydrophobicContact CE1-CZ 3.62Å; F361-F394 AromaticContact CE2-CZ 3.92Å; F361-F394 HydrophobicContact CE2-CZ 3.92Å; F361-F394 HydrophobicContact CZ-CE1 4.12Å; F361-F394 HydrophobicContact CZ-CE2 4.04Å; F361-F394 AromaticContact CZ-CZ 3.28Å; F361-F394 HydrophobicContact CZ-CZ 3.28Å; A390-F394 VanDerWaalsContact C-CE1 3.48Å; A390-F394 HydrophobicContact CB-CE1 4.15Å; A390-F394 WeakPolarHBondContact O-CD1 3.47Å; A390-F394 VanDerWaalsContact O-CE1 3.26Å; A390-F394 WeakPolarHBondContact O-CE1 3.34Å; A390-F394 PolarHBondContact O-N 2.96Å; R391-F394 HydrophobicContact CB-CE2 4.35Å; R391-F394 HydrophobicContact CB-CZ 4.39Å; R391-F394 HydrophobicContact CG-CD2 4.28Å; R391-F394 HydrophobicContact CG-CE2 4.26Å; R391-F394 WeakPolarHBondContact O-CB 3.37Å; R391-F394 PolarHBondContact O-N 2.94Å; F394-F418 HydrophobicContact CB-CB 4.16Å; F394-F418 HydrophobicContact CB-CD1 3.68Å; F394-F418 HydrophobicContact CB-CE1 4.44Å; F394-F418 HydrophobicContact CB-CG 4.19Å; F394-F418 HydrophobicContact CD2-CB 4.21Å; F394-F418 HydrophobicContact CD2-CD1 4.4Å; F394-F418 HydrophobicContact CD2-CG 4.24Å; F394-V419 WeakPolarHBondContact CA-O 3.3Å; F394-V420 HydrophobicContact CD1-CB 4.26Å; F394-V420 HydrophobicContact CD1-CG1 3.97Å; F394-V420 HydrophobicContact CD1-CG2 3.8Å; F394-V420 HydrophobicContact CD2-CG2 4.36Å; F394-V420 HydrophobicContact CE1-CB 4.24Å; F394-V420 HydrophobicContact CE1-CG1 3.66Å; F394-V420 HydrophobicContact CE1-CG2 3.7Å; F394-V420 HydrophobicContact CE2-CG2 4.26Å; F394-V420 HydrophobicContact CG-CG2 4.19Å; F394-V420 HydrophobicContact CZ-CG2 3.97Å; F394-L428 HydrophobicContact CE1-CD2 4.46Å
395V83.7Confident86.4Confident47 Ų4747 Ų4729%0.28522%0.215SC..EExtended strand (participates in β ladder)trans-107.1111.9176.7-172.80000107.2L397 F418 V419 P421 L487V395-L397 PolarHBondContact O-N 2.86Å; V395-F418 CarbonylContact O-C 3.56Å; V395-F418 VanDerWaalsContact O-CA 3.32Å; V395-F418 WeakPolarHBondContact O-CA 3.45Å; V395-V419 HydrophobicContact CB-CB 4.34Å; V395-V419 PolarHBondContact N-O 3.5Å; V395-V419 PolarHBondContact O-N 2.98Å; V395-P421 HydrophobicContact CG2-CG 4.36Å; V395-L487 HydrophobicContact CG1-CD1 3.45Å; V395-L487 VanDerWaalsContact CG1-CD1 3.45Å; V395-L487 HydrophobicContact CG1-CD2 4.24Å
396K82.4Confident85.7Confident66 Ų6640.4 Ų40.429%0.28719%0.186SC..EExtended strand (participates in β ladder)trans-65.6123.5175.4-172.5168.5172.8163.90108.1N282 E416 F418 E478N282-K396 PolarHBondContact O-NZ 2.78Å; N282-K396 VanDerWaalsContact O-NZ 3.11Å; K396-E416 IonicContact NZ-OE1 3.73Å; K396-E416 PolarHBondContact NZ-OE1 2.85Å; K396-F418 VanDerWaalsContact CA-CD1 3.49Å; K396-F418 HydrophobicContact CB-CD1 3.91Å; K396-F418 HydrophobicContact CB-CE1 3.57Å; K396-F418 HydrophobicContact CB-CZ 4.34Å; K396-F418 HydrophobicContact CD-CE1 4.39Å; K396-F418 HydrophobicContact CD-CZ 4.38Å; K396-F418 HydrophobicContact CG-CD1 4.48Å; K396-F418 HydrophobicContact CG-CE1 4Å; K396-F418 HydrophobicContact CG-CZ 4.28Å; K396-E478 IonicContact NZ-OE1 3.6Å
397L72.7Confident85.3Confident7 Ų740.2 Ų40.24%0.03719%0.185CC..EExtended strand (participates in β ladder)trans-84.8-52.5174.7-70.3-179.6000110.4F348 V395 M417 V419 L487 I490 F491 I494F348-L397 HydrophobicContact CE1-CD1 4.16Å; F348-L397 HydrophobicContact CZ-CD1 3.84Å; V395-L397 PolarHBondContact O-N 2.86Å; L397-M417 HydrophobicContact CB-CB 4.19Å; L397-M417 HydrophobicContact CD1-CB 4.49Å; L397-M417 PolarHBondContact N-O 3.48Å; L397-V419 HydrophobicContact CD1-CG2 3.81Å; L397-V419 HydrophobicContact CD2-CG2 3.72Å; L397-V419 HydrophobicContact CG-CG2 3.83Å; L397-L487 HydrophobicContact CD2-CB 3.85Å; L397-L487 HydrophobicContact CD2-CD2 3.76Å; L397-L487 HydrophobicContact CD2-CG 4.24Å; L397-I490 HydrophobicContact CD1-CG2 4.19Å; L397-F491 HydrophobicContact CB-CD2 4.24Å; L397-I494 HydrophobicContact CD1-CD1 4.23Å
398V74.8Confident85.2Confident4 Ų439.9 Ų39.92%0.02418%0.184CC..EExtended strand (participates in β ladder)trans-153.5158.1177.976.40000109.7M417 I475 E478 F491V398-M417 HydrophobicContact CG1-CB 4.09Å; V398-M417 HydrophobicContact CG1-CG 3.88Å; V398-M417 HydrophobicContact CG1-SD 3.98Å; V398-M417 PolarHBondContact O-N 2.78Å; V398-I475 HydrophobicContact CB-CG1 4.35Å; V398-I475 HydrophobicContact CG1-CD1 3.87Å; V398-I475 HydrophobicContact CG1-CG1 3.93Å; V398-I475 HydrophobicContact CG2-CD1 4.38Å; V398-I475 HydrophobicContact CG2-CG1 3.5Å; V398-I475 VanDerWaalsContact CG2-CG1 3.5Å; V398-I475 WeakPolarHBondContact CG2-O 3.23Å; V398-E478 WeakPolarHBondContact CA-OE2 3.32Å; V398-F491 HydrophobicContact CB-CE2 3.61Å; V398-F491 HydrophobicContact CB-CZ 3.98Å; V398-F491 HydrophobicContact CG1-CD2 4.49Å; V398-F491 HydrophobicContact CG1-CE2 3.55Å; V398-F491 HydrophobicContact CG1-CZ 4.22Å; V398-F491 HydrophobicContact CG2-CE2 4.27Å; V398-F491 HydrophobicContact CG2-CZ 4.15Å
399G80.6Confident85.2Confident0 Ų033.3 Ų33.30%016%0.155CC..EExtended strand (participates in β ladder)trans-156.8158.2156.900000114.8C283 L415 E478C283-G399 WeakPolarHBondContact CB-O 3.36Å; G399-L415 CarbonylContact C-O 3.5Å; G399-L415 WeakPolarHBondContact CA-O 3.4Å; G399-E478 PolarHBondContact N-OE2 3.06Å
400G85.1Confident85.3Confident0 Ų030 Ų300%014%0.137CC..EExtended strand (participates in β ladder)trans153.1-174.2178.400000112.5E414 L415 S474G400-E414 CarbonylContact O-C 3.5Å; G400-E414 WeakPolarHBondContact O-CA 3.35Å; G400-L415 PolarHBondContact N-O 3.41Å; G400-L415 PolarHBondContact O-N 3.29Å; G400-S474 VanDerWaalsContact CA-OG 3.24Å; G400-S474 WeakPolarHBondContact CA-OG 3.44Å
401S86.5Confident85.4Confident0 Ų029.7 Ų29.70%014%0.135CC..EExtended strand (participates in β ladder)trans-70.9140.716755.10000109.7R280 V413 Y473 S474 I475R280-S401 VanDerWaalsContact NH2-CB 3.31Å; R280-S401 PolarHBondContact NH2-OG 2.91Å; S401-V413 WeakPolarHBondContact CA-O 3.38Å; S401-Y473 WeakPolarHBondContact O-CB 3.29Å; S401-S474 PolarHBondContact N-OG 2.72Å; S401-S474 PolarHBondContact O-N 3.34Å; S401-S474 PolarHBondContact OG-N 3.38Å; S401-S474 PolarHBondContact OG-OG 2.72Å; S401-I475 VanDerWaalsContact O-CB 3.25Å; S401-I475 WeakPolarHBondContact O-CB 3.09Å; S401-I475 VanDerWaalsContact O-CG2 3.26Å; S401-I475 WeakPolarHBondContact O-CG2 3.39Å; S401-I475 PolarHBondContact O-N 3.1Å; S401-I475 VanDerWaalsContact O-N 3.1Å
402L76Confident85.4Confident6 Ų626.4 Ų26.43%0.03112%0.123CC..  trans-135.1152.8177.270.7157000110.3S404 E407 V413 L415 Y473 I475 I500 I504L402-S404 PolarHBondContact O-N 3.48Å; L402-E407 VanDerWaalsContact O-OE1 3.13Å; L402-V413 HydrophobicContact CD2-CG1 4.13Å; L402-L415 HydrophobicContact CD1-CD2 4.18Å; L402-L415 HydrophobicContact CD2-CB 3.37Å; L402-L415 HydrophobicContact CD2-CD2 4.42Å; L402-Y473 VanDerWaalsContact C-CE1 3.44Å; L402-I475 HydrophobicContact CB-CB 4.4Å; L402-I475 HydrophobicContact CB-CD1 3.93Å; L402-I475 HydrophobicContact CB-CG2 3.95Å; L402-I475 HydrophobicContact CD1-CD1 4.49Å; L402-I500 HydrophobicContact CD1-CB 3.86Å; L402-I500 HydrophobicContact CD1-CG2 3.37Å; L402-I504 HydrophobicContact CD1-CD1 3.55Å; L402-I504 HydrophobicContact CD2-CD1 3.9Å; L402-I504 HydrophobicContact CG-CD1 4.01Å
403P76.7Confident85.2Confident29 Ų2919.4 Ų19.419%0.1889%0.092CC..  trans-59.9130.2178.2-3.18.3000110.7E407 E470 Y473P403-E407 WeakPolarHBondContact CA-OE2 3.35Å; P403-E470 HydrophobicContact CG-CG 4.18Å; P403-E470 VanDerWaalsContact CG-OE1 3.32Å; P403-E470 WeakPolarHBondContact CG-OE1 3.44Å; P403-E470 WeakPolarHBondContact CG-OE2 3.37Å; P403-Y473 HydrophobicContact CB-CD2 4.49Å; P403-Y473 HydrophobicContact CB-CE1 4.2Å; P403-Y473 HydrophobicContact CB-CE2 3.93Å; P403-Y473 HydrophobicContact CG-CD1 4.43Å; P403-Y473 HydrophobicContact CG-CD2 3.88Å; P403-Y473 HydrophobicContact CG-CE1 4.36Å; P403-Y473 HydrophobicContact CG-CE2 3.79Å; P403-Y473 HydrophobicContact CG-CG 4.2Å
404S75.9Confident85.1Confident14 Ų1412.4 Ų12.410%0.0987%0.066CC..  trans-141.8146173.9179.80000111.1L402 L406 E407L402-S404 PolarHBondContact O-N 3.48Å; S404-L406 PolarHBondContact O-N 3.41Å; S404-L406 VanDerWaalsContact O-N 3.08Å; S404-L406 PolarHBondContact OG-N 3.45Å; S404-E407 PolarHBondContact N-OE2 2.83Å; S404-E407 WeakPolarHBondContact O-CG 3.3Å; S404-E407 PolarHBondContact O-N 2.97Å
405I72.6Confident84.8Confident42 Ų4211.4 Ų11.422%0.2156%0.061CC..THydrogen-bonded Turntrans-66.6-7.8174.166.2174.3000113.2I217 K218 L221 T222 A505I217-I405 HydrophobicContact CG2-CD1 4.4Å; K218-I405 HydrophobicContact CB-CD1 4.46Å; K218-I405 HydrophobicContact CG-CG2 4.49Å; L221-I405 HydrophobicContact CB-CD1 4.48Å; L221-I405 HydrophobicContact CD1-CD1 3.7Å; L221-I405 HydrophobicContact CD1-CG1 4.04Å; T222-I405 HydrophobicContact CG2-CG2 4.5Å; I405-A505 HydrophobicContact CD1-CB 3.56Å; I405-A505 HydrophobicContact CG1-CB 3.72Å
406L81.3Confident84.9Confident2 Ų210.1 Ų10.11%0.015%0.052CC..THydrogen-bonded Turntrans-89.1-7.8178.3-56.6-177.7000113.2L221 L311 L312 S404 I504 A505 V508L221-L406 HydrophobicContact CD1-CD2 4.03Å; L311-L406 HydrophobicContact CB-CD2 4.38Å; L311-L406 HydrophobicContact CD1-CD2 3.98Å; L312-L406 HydrophobicContact CD1-CB 4.4Å; L312-L406 HydrophobicContact CD2-CB 4.01Å; L312-L406 HydrophobicContact CD2-CD1 3.87Å; L312-L406 HydrophobicContact CG-CB 4.15Å; S404-L406 PolarHBondContact O-N 3.41Å; S404-L406 VanDerWaalsContact O-N 3.08Å; S404-L406 PolarHBondContact OG-N 3.45Å; L406-I504 HydrophobicContact CD1-CG2 3.9Å; L406-A505 HydrophobicContact CD2-CB 4.34Å; L406-A505 HydrophobicContact CG-CB 4.44Å; L406-V508 HydrophobicContact CD1-CB 3.78Å; L406-V508 HydrophobicContact CD1-CG1 4.13Å; L406-V508 HydrophobicContact CD1-CG2 3.48Å; L406-V508 VanDerWaalsContact CD1-CG2 3.48Å
407E88.5Confident84.8Confident13 Ų137.1 Ų7.16%0.0614%0.039CC..  trans-74.8146.2-172.4-60.2-177122.200111.9T304 L402 P403 S404 A411 W412 Y473T304-E407 HydrophobicContact CG2-CB 4.38Å; L402-E407 VanDerWaalsContact O-OE1 3.13Å; P403-E407 WeakPolarHBondContact CA-OE2 3.35Å; S404-E407 PolarHBondContact N-OE2 2.83Å; S404-E407 WeakPolarHBondContact O-CG 3.3Å; S404-E407 PolarHBondContact O-N 2.97Å; E407-A411 WeakPolarHBondContact CA-O 3.45Å; E407-W412 HydrophobicContact CG-CB 4.11Å; E407-W412 WeakPolarHBondContact OE1-CB 3.32Å; E407-Y473 WeakPolarHBondContact OE2-CE1 3.24Å; E407-Y473 PolarHBondContact OE2-OH 3.45Å
408T93.7Very high85.3Confident0 Ų07.9 Ų7.90%04%0.042CC..  trans-129.8177.9170630000108W247 N299 T304 L306 G308 N410 A411W247-T408 HydrophobicContact CE3-CG2 3.68Å; W247-T408 HydrophobicContact CZ3-CG2 4.11Å; N299-T408 WeakPolarHBondContact CB-O 3.16Å; N299-T408 PolarHBondContact ND2-O 3.49Å; T304-T408 VanDerWaalsContact CG2-C 3.5Å; T304-T408 VanDerWaalsContact OG1-C 3.26Å; T304-T408 WeakPolarHBondContact OG1-CA 3.31Å; L306-T408 HydrophobicContact CB-CG2 4.03Å; G308-T408 PolarHBondContact O-OG1 3.34Å; T408-N410 PolarHBondContact O-N 3.24Å; T408-N410 PolarHBondContact OG1-N 2.93Å; T408-A411 PolarHBondContact N-O 2.79Å; T408-A411 PolarHBondContact OG1-N 2.74Å; T408-A411 PolarHBondContact OG1-O 3.27Å
409D95.9Very high85.8Confident4 Ų47.9 Ų7.92%0.0214%0.042CC..SBendtrans-61.5-23.2172.3-68.6-5.5000112.1W235 Y242 L298 N299 T304 L306W235-D409 HydrophobicContact CH2-CB 4.03Å; W235-D409 HydrophobicContact CZ2-CB 4.03Å; Y242-D409 WeakPolarHBondContact CE1-OD2 3.22Å; Y242-D409 PolarHBondContact OH-OD1 3.28Å; Y242-D409 PolarHBondContact OH-OD2 3.46Å; L298-D409 CarbonylContact C-O 3.46Å; L298-D409 WeakPolarHBondContact CA-O 3.25Å; N299-D409 PolarHBondContact N-O 3.33Å; T304-D409 PolarHBondContact N-OD1 3.13Å; T304-D409 PolarHBondContact OG1-N 3.15Å; T304-D409 VanDerWaalsContact OG1-N 3.08Å; T304-D409 PolarHBondContact OG1-OD1 2.91Å; L306-D409 VanDerWaalsContact O-CB 3.26Å; L306-D409 WeakPolarHBondContact O-CB 3.46Å; L306-D409 PolarHBondContact O-N 3.08Å
410N97.4Very high86.3Confident6 Ų67.9 Ų7.93%0.0324%0.042CC..SBendtrans-1255.7-173.5-27.4-83.1000115.2F296 P297 T307 G308 Y315 G316 T408F296-N410 HydrophobicContact CB-CB 4.4Å; F296-N410 WeakPolarHBondContact CB-OD1 3.42Å; F296-N410 HydrophobicContact CD1-CB 4.2Å; P297-N410 HydrophobicContact CG-CB 4.33Å; P297-N410 WeakPolarHBondContact CG-O 3.35Å; P297-N410 WeakPolarHBondContact O-CA 3.32Å; P297-N410 WeakPolarHBondContact O-CB 3.29Å; P297-N410 PolarHBondContact O-OD1 3.28Å; T307-N410 WeakPolarHBondContact CA-ND2 3.27Å; T307-N410 PolarHBondContact OG1-ND2 2.55Å; G308-N410 PolarHBondContact N-ND2 3.45Å; G308-N410 WeakPolarHBondContact O-CB 3.2Å; G308-N410 PolarHBondContact O-ND2 3.45Å; Y315-N410 CarbonylContact C-O 3.53Å; Y315-N410 WeakPolarHBondContact CA-O 3.46Å; Y315-N410 HydrophobicContact CD1-CB 3.94Å; Y315-N410 HydrophobicContact CE1-CB 4.34Å; G316-N410 PolarHBondContact N-O 3.32Å; T408-N410 PolarHBondContact O-N 3.24Å; T408-N410 PolarHBondContact OG1-N 2.93Å
411A96.4Very high86.5Confident0 Ų08.6 Ų8.60%05%0.047CC..EExtended strand (participates in β ladder)trans-151.8128.217400000109.4R309 L312 R314 G316 E407 T408R309-A411 HydrophobicContact CG-CB 4.39Å; L312-A411 HydrophobicContact CB-CB 4.18Å; L312-A411 HydrophobicContact CD1-CB 3.85Å; R314-A411 WeakPolarHBondContact O-CB 3.33Å; G316-A411 WeakPolarHBondContact O-CA 3.2Å; E407-A411 WeakPolarHBondContact CA-O 3.45Å; T408-A411 PolarHBondContact N-O 2.79Å; T408-A411 PolarHBondContact OG1-N 2.74Å; T408-A411 PolarHBondContact OG1-O 3.27Å
412W94.5Very high86.8Confident0 Ų08.6 Ų8.60%05%0.047CC..EExtended strand (participates in β ladder)trans-138.8167.8-179.261.190.8000111.4R280 Y290 P297 N299 P300 G316 P317 N318 E407 E414R280-W412 VanDerWaalsContact NH1-NE1 3.12Å; Y290-W412 AromaticContact CD1-CH2 3.76Å; Y290-W412 HydrophobicContact CD1-CH2 3.76Å; Y290-W412 AromaticContact CD1-CZ2 3.57Å; Y290-W412 HydrophobicContact CD1-CZ2 3.57Å; Y290-W412 AromaticContact CD2-CH2 3.92Å; Y290-W412 HydrophobicContact CD2-CH2 3.92Å; Y290-W412 HydrophobicContact CE1-CH2 4.31Å; Y290-W412 HydrophobicContact CE1-CZ2 4.13Å; Y290-W412 HydrophobicContact CE2-CH2 4.43Å; Y290-W412 AromaticContact CG-CH2 3.55Å; Y290-W412 HydrophobicContact CG-CH2 3.55Å; Y290-W412 AromaticContact CG-CZ2 3.82Å; Y290-W412 HydrophobicContact CG-CZ2 3.82Å; P297-W412 HydrophobicContact CB-CH2 4.15Å; P297-W412 HydrophobicContact CB-CZ3 4.22Å; N299-W412 VanDerWaalsContact CA-CE3 3.44Å; N299-W412 VanDerWaalsContact CA-CZ3 3.49Å; N299-W412 HydrophobicContact CB-CD2 4.43Å; N299-W412 HydrophobicContact CB-CE3 3.78Å; N299-W412 HydrophobicContact CB-CZ3 4.27Å; P300-W412 VanDerWaalsContact CD-CZ2 3.48Å; P300-W412 HydrophobicContact CG-CH2 4.36Å; P300-W412 HydrophobicContact CG-CZ2 4.04Å; G316-W412 PolarHBondContact O-N 3.45Å; P317-W412 HydrophobicContact CB-CZ2 4.24Å; N318-W412 WeakPolarHBondContact CB-O 3.19Å; N318-W412 PolarHBondContact N-O 3.26Å; N318-W412 PolarHBondContact ND2-O 3.03Å; E407-W412 HydrophobicContact CG-CB 4.11Å; E407-W412 WeakPolarHBondContact OE1-CB 3.32Å; W412-E414 PolarHBondContact NE1-OE1 3.32Å
413V90.6Very high87.4Confident0 Ų014 Ų140%07%0.071CC..EExtended strand (participates in β ladder)trans-100.2137.3179.7179.60000110.2L312 N318 M320 S401 L402 I504L312-V413 HydrophobicContact CD1-CG2 4.13Å; L312-V413 HydrophobicContact CD2-CG2 3.77Å; N318-V413 WeakPolarHBondContact O-CA 3Å; M320-V413 HydrophobicContact CB-CG1 4.4Å; M320-V413 HydrophobicContact CE-CG1 3.87Å; M320-V413 HydrophobicContact CE-CG2 3.92Å; M320-V413 HydrophobicContact CG-CG1 3.86Å; M320-V413 HydrophobicContact SD-CG1 3.68Å; S401-V413 WeakPolarHBondContact CA-O 3.38Å; L402-V413 HydrophobicContact CD2-CG1 4.13Å; V413-I504 HydrophobicContact CB-CG2 4.49Å; V413-I504 HydrophobicContact CG1-CD1 3.95Å; V413-I504 HydrophobicContact CG1-CG2 4.1Å; V413-I504 HydrophobicContact CG2-CG2 4.01Å
414E91.7Very high88.1Confident0 Ų019.6 Ų19.60%09%0.092CC..EExtended strand (participates in β ladder)trans-123.8125.8169.2-62.4-165-155.100110.2R280 L281 P317 N318 H319 M320 G400 W412R280-E414 WeakPolarHBondContact CD-OE1 3.35Å; R280-E414 IonicContact CZ-OE1 3.27Å; R280-E414 IonicContact NE-OE1 2.7Å; R280-E414 PolarHBondContact NE-OE1 3.17Å; R280-E414 IonicContact NE-OE2 2.77Å; R280-E414 IonicContact NH1-OE1 3.33Å; R280-E414 PolarHBondContact NH1-OE1 3.32Å; R280-E414 IonicContact NH2-OE1 3.07Å; L281-E414 VanDerWaalsContact CB-OE2 3.27Å; L281-E414 WeakPolarHBondContact CB-OE2 3.4Å; L281-E414 HydrophobicContact CD1-CB 3.63Å; L281-E414 HydrophobicContact CG-CB 3.88Å; L281-E414 VanDerWaalsContact CG-OE2 3.32Å; L281-E414 WeakPolarHBondContact CG-OE2 3.28Å; L281-E414 PolarHBondContact N-OE2 3.48Å; P317-E414 HydrophobicContact CB-CG 4.12Å; P317-E414 VanDerWaalsContact CB-OE1 3.28Å; P317-E414 WeakPolarHBondContact CB-OE1 3.29Å; N318-E414 PolarHBondContact O-N 2.82Å; H319-E414 CarbonylContact C-O 3.57Å; H319-E414 WeakPolarHBondContact CA-O 3.18Å; M320-E414 PolarHBondContact N-O 3.42Å; G400-E414 CarbonylContact O-C 3.5Å; G400-E414 WeakPolarHBondContact O-CA 3.35Å; W412-E414 PolarHBondContact NE1-OE1 3.32Å
415L83.8Confident88.9Confident0 Ų019.3 Ų19.30%09%0.089CC..EExtended strand (participates in β ladder)trans-111.4139.1-175.1-176.665.2000110.4M320 T350 G399 G400 L402 M417 I500 I504M320-L415 HydrophobicContact CB-CD1 3.72Å; M320-L415 WeakPolarHBondContact O-CA 3.49Å; T350-L415 HydrophobicContact CG2-CD1 4.07Å; G399-L415 CarbonylContact C-O 3.5Å; G399-L415 WeakPolarHBondContact CA-O 3.4Å; G400-L415 PolarHBondContact N-O 3.41Å; G400-L415 PolarHBondContact O-N 3.29Å; L402-L415 HydrophobicContact CD1-CD2 4.18Å; L402-L415 HydrophobicContact CD2-CB 3.37Å; L402-L415 HydrophobicContact CD2-CD2 4.42Å; L415-M417 HydrophobicContact CD2-CG 3.61Å; L415-M417 HydrophobicContact CD2-SD 3.89Å; L415-M417 HydrophobicContact CG-CG 3.84Å; L415-I500 HydrophobicContact CD2-CG2 3.51Å; L415-I504 HydrophobicContact CD2-CD1 4.45Å
416E86.3Confident89.9Confident20 Ų2022.5 Ų22.59%0.09310%0.101CC..EExtended strand (participates in β ladder)trans-113.6130.4157-60.4-170.2112.200110.1L281 M320 R321 S322 K396 F418L281-E416 HydrophobicContact CD1-CG 3.45Å; L281-E416 VanDerWaalsContact CD1-CG 3.45Å; L281-E416 HydrophobicContact CD2-CG 3.93Å; L281-E416 HydrophobicContact CG-CG 4.29Å; M320-E416 PolarHBondContact O-N 3.06Å; R321-E416 WeakPolarHBondContact CA-O 3.21Å; R321-E416 IonicContact CZ-OE2 3.46Å; R321-E416 IonicContact NE-OE2 3.05Å; R321-E416 IonicContact NH2-OE2 3.88Å; R321-E416 PolarHBondContact NH2-OE2 3.37Å; S322-E416 PolarHBondContact N-O 2.78Å; K396-E416 IonicContact NZ-OE1 3.73Å; K396-E416 PolarHBondContact NZ-OE1 2.85Å; E416-F418 HydrophobicContact CB-CD2 4.09Å; E416-F418 HydrophobicContact CB-CE2 3.34Å; E416-F418 HydrophobicContact CB-CZ 4Å; E416-F418 HydrophobicContact CG-CE2 4.24Å
417M79.8Confident90.5Very high3 Ų327.9 Ų27.92%0.01513%0.125CC..EExtended strand (participates in β ladder)trans-106.7132.7175.7-54.5-168.178.300110S322 F348 L397 V398 L415 I494 I500S322-M417 CarbonylContact O-C 3.59Å; S322-M417 WeakPolarHBondContact O-CA 3.19Å; F348-M417 HydrophobicContact CD1-CE 3.68Å; F348-M417 HydrophobicContact CD2-CE 4.37Å; F348-M417 HydrophobicContact CE1-CE 3.7Å; F348-M417 HydrophobicContact CE2-CE 4.41Å; F348-M417 HydrophobicContact CG-CE 4.01Å; F348-M417 HydrophobicContact CZ-CE 4.08Å; L397-M417 HydrophobicContact CB-CB 4.19Å; L397-M417 HydrophobicContact CD1-CB 4.49Å; L397-M417 PolarHBondContact N-O 3.48Å; V398-M417 HydrophobicContact CG1-CB 4.09Å; V398-M417 HydrophobicContact CG1-CG 3.88Å; V398-M417 HydrophobicContact CG1-SD 3.98Å; V398-M417 PolarHBondContact O-N 2.78Å; L415-M417 HydrophobicContact CD2-CG 3.61Å; L415-M417 HydrophobicContact CD2-SD 3.89Å; L415-M417 HydrophobicContact CG-CG 3.84Å; M417-I494 HydrophobicContact CE-CD1 3.63Å; M417-I494 HydrophobicContact CE-CG1 4.24Å; M417-I494 HydrophobicContact CE-CG2 3.76Å; M417-I494 HydrophobicContact SD-CD1 4.19Å; M417-I494 HydrophobicContact SD-CG2 4.03Å; M417-I500 HydrophobicContact SD-CD1 4.38Å
418F83.8Confident90.8Very high22 Ų2227.3 Ų27.310%0.09612%0.122CC..EExtended strand (participates in β ladder)trans-131.1142.2-178.2-67.1-88.8000112.5R321 S322 V323 I324 F394 V395 K396 E416R321-F418 HydrophobicContact CG-CD2 3.9Å; R321-F418 HydrophobicContact CG-CE2 4.23Å; R321-F418 VanDerWaalsContact NE-CE2 3.28Å; S322-F418 PolarHBondContact O-N 2.94Å; V323-F418 WeakPolarHBondContact CA-O 3.37Å; V323-F418 HydrophobicContact CG1-CB 4.38Å; I324-F418 PolarHBondContact N-O 2.86Å; F394-F418 HydrophobicContact CB-CB 4.16Å; F394-F418 HydrophobicContact CB-CD1 3.68Å; F394-F418 HydrophobicContact CB-CE1 4.44Å; F394-F418 HydrophobicContact CB-CG 4.19Å; F394-F418 HydrophobicContact CD2-CB 4.21Å; F394-F418 HydrophobicContact CD2-CD1 4.4Å; F394-F418 HydrophobicContact CD2-CG 4.24Å; V395-F418 CarbonylContact O-C 3.56Å; V395-F418 VanDerWaalsContact O-CA 3.32Å; V395-F418 WeakPolarHBondContact O-CA 3.45Å; K396-F418 VanDerWaalsContact CA-CD1 3.49Å; K396-F418 HydrophobicContact CB-CD1 3.91Å; K396-F418 HydrophobicContact CB-CE1 3.57Å; K396-F418 HydrophobicContact CB-CZ 4.34Å; K396-F418 HydrophobicContact CD-CE1 4.39Å; K396-F418 HydrophobicContact CD-CZ 4.38Å; K396-F418 HydrophobicContact CG-CD1 4.48Å; K396-F418 HydrophobicContact CG-CE1 4Å; K396-F418 HydrophobicContact CG-CZ 4.28Å; E416-F418 HydrophobicContact CB-CD2 4.09Å; E416-F418 HydrophobicContact CB-CE2 3.34Å; E416-F418 HydrophobicContact CB-CZ 4Å; E416-F418 HydrophobicContact CG-CE2 4.24Å
419V84.4Confident90.9Very high4 Ų427.7 Ų27.72%0.02413%0.125CC..EExtended strand (participates in β ladder)trans-90132.6160.3168.20000109.3I324 I326 F394 V395 L397 P421 L487 I490I324-V419 HydrophobicContact CG2-CB 4.48Å; I324-V419 HydrophobicContact CG2-CG2 3.79Å; I326-V419 HydrophobicContact CB-CG1 4.47Å; I326-V419 HydrophobicContact CD1-CB 4.36Å; I326-V419 HydrophobicContact CD1-CG1 3.29Å; I326-V419 HydrophobicContact CD1-CG2 4.12Å; I326-V419 HydrophobicContact CG1-CG1 3.94Å; F394-V419 WeakPolarHBondContact CA-O 3.3Å; V395-V419 HydrophobicContact CB-CB 4.34Å; V395-V419 PolarHBondContact N-O 3.5Å; V395-V419 PolarHBondContact O-N 2.98Å; L397-V419 HydrophobicContact CD1-CG2 3.81Å; L397-V419 HydrophobicContact CD2-CG2 3.72Å; L397-V419 HydrophobicContact CG-CG2 3.83Å; V419-P421 VanDerWaalsContact O-CD 3.22Å; V419-P421 WeakPolarHBondContact O-CD 3.4Å; V419-L487 HydrophobicContact CB-CD2 4.03Å; V419-L487 HydrophobicContact CG1-CD2 4.26Å; V419-L487 HydrophobicContact CG2-CD2 3.72Å; V419-I490 HydrophobicContact CG2-CD1 4.16Å
420V91Very high90.8Very high0 Ų034.8 Ų34.80%015%0.151CC..EExtended strand (participates in β ladder)trans-102.4100.1172.4-174.80000109.3V323 I324 F325 I326 F361 F394 C422 T425 L428V323-V420 HydrophobicContact CB-CG2 4.19Å; V323-V420 HydrophobicContact CG1-CG2 4.47Å; I324-V420 PolarHBondContact O-N 3.33Å; F325-V420 HydrophobicContact CD1-CB 3.6Å; F325-V420 HydrophobicContact CD1-CG1 3.61Å; F325-V420 HydrophobicContact CD1-CG2 4.16Å; F325-V420 HydrophobicContact CE1-CB 3.83Å; F325-V420 HydrophobicContact CE1-CG1 3.64Å; F325-V420 HydrophobicContact CE1-CG2 3.96Å; F325-V420 HydrophobicContact CG-CB 4.18Å; F325-V420 HydrophobicContact CZ-CG2 4.27Å; I326-V420 PolarHBondContact N-O 3.43Å; F361-V420 HydrophobicContact CE1-CG2 4.27Å; F394-V420 HydrophobicContact CD1-CB 4.26Å; F394-V420 HydrophobicContact CD1-CG1 3.97Å; F394-V420 HydrophobicContact CD1-CG2 3.8Å; F394-V420 HydrophobicContact CD2-CG2 4.36Å; F394-V420 HydrophobicContact CE1-CB 4.24Å; F394-V420 HydrophobicContact CE1-CG1 3.66Å; F394-V420 HydrophobicContact CE1-CG2 3.7Å; F394-V420 HydrophobicContact CE2-CG2 4.26Å; F394-V420 HydrophobicContact CG-CG2 4.19Å; F394-V420 HydrophobicContact CZ-CG2 3.97Å; V420-C422 PolarHBondContact O-N 3.24Å; V420-T425 HydrophobicContact CG1-CG2 4.28Å; V420-L428 HydrophobicContact CG1-CD2 4.19Å
421P90Very high90.7Very high16 Ų1637 Ų3710%0.10416%0.162CC..EExtended strand (participates in β ladder)trans-77.8102.8179.529.5-33.9000111.2R393 V395 V419 K423 K424 T425R393-P421 WeakPolarHBondContact O-CD 3.39Å; R393-P421 VanDerWaalsContact O-CG 3.26Å; R393-P421 WeakPolarHBondContact O-CG 3.49Å; V395-P421 HydrophobicContact CG2-CG 4.36Å; V419-P421 VanDerWaalsContact O-CD 3.22Å; V419-P421 WeakPolarHBondContact O-CD 3.4Å; P421-K423 PolarHBondContact O-N 2.74Å; P421-K423 VanDerWaalsContact O-N 3.11Å; P421-K424 HydrophobicContact CG-CB 4.23Å; P421-K424 HydrophobicContact CG-CD 4.15Å; P421-K424 HydrophobicContact CG-CG 4.46Å; P421-K424 PolarHBondContact O-N 2.78Å; P421-T425 PolarHBondContact O-N 3.03Å; P421-T425 VanDerWaalsContact O-N 3.08Å; P421-T425 PolarHBondContact O-OG1 3.33Å
422C92.9Very high90.7Very high0 Ų037 Ų370%016%0.162CC..THydrogen-bonded Turntrans-61.4-23.5-176.2-71.50000114.5I326 W327 V420 K424 T425 K426 C429I326-C422 WeakPolarHBondContact O-CB 3.49Å; I326-C422 PolarHBondContact O-N 2.81Å; W327-C422 HydrophobicContact CB-CB 4.18Å; W327-C422 HydrophobicContact CD2-CB 3.75Å; W327-C422 HydrophobicContact CE3-CB 3.43Å; W327-C422 VanDerWaalsContact CE3-CB 3.43Å; W327-C422 HydrophobicContact CG-CB 4.11Å; W327-C422 HydrophobicContact CZ3-CB 4.11Å; V420-C422 PolarHBondContact O-N 3.24Å; C422-K424 VanDerWaalsContact C-N 3.26Å; C422-K424 PolarHBondContact O-N 3.03Å; C422-T425 WeakPolarHBondContact CA-OG1 3.39Å; C422-T425 CarbonylContact O-C 3.46Å; C422-T425 PolarHBondContact O-N 3.12Å; C422-K426 VanDerWaalsContact O-CA 3.3Å; C422-K426 WeakPolarHBondContact O-CA 3.33Å; C422-K426 WeakPolarHBondContact O-CG 3.45Å; C422-K426 PolarHBondContact O-N 2.79Å; C422-C429 WeakPolarHBondContact CA-SG 3.49Å; C422-C429 HydrophobicContact CB-CB 3.49Å; C422-C429 VanDerWaalsContact CB-CB 3.49Å; C422-C429 WeakPolarHBondContact CB-SG 3.42Å; C422-C429 WeakPolarHBondContact SG-CB 3.47Å; C422-C429 CovalentContact SG-SG 2.03Å; C422-C429 PolarHBondContact SG-SG 3.09Å
423K89.2Confident90.8Very high120 Ų12037.2 Ų37.252%0.52216%0.162SC..THydrogen-bonded Turntrans-61.7-33.4171.1-172172.3175.3177.40112.7E328 P421 K426E328-K423 HydrophobicContact CB-CD 4.18Å; E328-K423 WeakPolarHBondContact OE2-CD 3.45Å; E328-K423 IonicContact OE2-NZ 3.97Å; E328-K423 PolarHBondContact OE2-NZ 3.26Å; P421-K423 PolarHBondContact O-N 2.74Å; P421-K423 VanDerWaalsContact O-N 3.11Å; K423-K426 VanDerWaalsContact O-CE 3.29Å; K423-K426 WeakPolarHBondContact O-CE 3.37Å; K423-K426 WeakPolarHBondContact O-CG 3.42Å
424K90.3Very high91Very high146 Ų14639.9 Ų39.964%0.63518%0.179SC*.THydrogen-bonded Turntrans-94.7-18.3177.3-61.6179.7-179173.20112.7R393 P421 C422R393-K424 HydrophobicContact CB-CB 4.07Å; R393-K424 HydrophobicContact CG-CB 4.25Å; P421-K424 HydrophobicContact CG-CB 4.23Å; P421-K424 HydrophobicContact CG-CD 4.15Å; P421-K424 HydrophobicContact CG-CG 4.46Å; P421-K424 PolarHBondContact O-N 2.78Å; C422-K424 VanDerWaalsContact C-N 3.26Å; C422-K424 PolarHBondContact O-N 3.03Å
425T93.1Very high91.1Very high7 Ų742.8 Ų42.84%0.04319%0.191CC..SBendtrans-11733.5-178.362.20000112.8A390 R393 V420 P421 C422 K427 L428 C429A390-T425 HydrophobicContact CB-CG2 3.85Å; R393-T425 HydrophobicContact CB-CG2 3.83Å; R393-T425 HydrophobicContact CG-CG2 4.46Å; V420-T425 HydrophobicContact CG1-CG2 4.28Å; P421-T425 PolarHBondContact O-N 3.03Å; P421-T425 VanDerWaalsContact O-N 3.08Å; P421-T425 PolarHBondContact O-OG1 3.33Å; C422-T425 WeakPolarHBondContact CA-OG1 3.39Å; C422-T425 CarbonylContact O-C 3.46Å; C422-T425 PolarHBondContact O-N 3.12Å; T425-K427 VanDerWaalsContact C-N 3.31Å; T425-K427 PolarHBondContact O-N 2.92Å; T425-L428 WeakPolarHBondContact O-CA 3.06Å; T425-L428 WeakPolarHBondContact O-CB 3.13Å; T425-L428 PolarHBondContact O-N 2.91Å; T425-C429 PolarHBondContact O-N 3.34Å; T425-C429 PolarHBondContact OG1-SG 3.07Å; T425-C429 VanDerWaalsContact OG1-SG 3.41Å
426K92.8Very high91.4Very high109 Ų10942.8 Ų42.847%0.47419%0.191SC..Hα-helixtrans-45.3-46.2-170.6-64.5-177-178.8179.50114.9C422 K423 L428 C429 R430C422-K426 VanDerWaalsContact O-CA 3.3Å; C422-K426 WeakPolarHBondContact O-CA 3.33Å; C422-K426 WeakPolarHBondContact O-CG 3.45Å; C422-K426 PolarHBondContact O-N 2.79Å; K423-K426 VanDerWaalsContact O-CE 3.29Å; K423-K426 WeakPolarHBondContact O-CE 3.37Å; K423-K426 WeakPolarHBondContact O-CG 3.42Å; K426-L428 PolarHBondContact O-N 2.96Å; K426-C429 PolarHBondContact O-N 3.1Å; K426-R430 VanDerWaalsContact O-CB 3.27Å; K426-R430 WeakPolarHBondContact O-CB 3.28Å; K426-R430 VanDerWaalsContact O-CG 3.28Å; K426-R430 WeakPolarHBondContact O-CG 3.32Å; K426-R430 PolarHBondContact O-N 3.27Å
427K94.1Very high91.8Very high115 Ų11545.9 Ų45.950%0.520%0.202SC..Hα-helixtrans-62.1-43.4-179.3-67.7-173.5179.7-178.30112I386 T425 H431I386-K427 HydrophobicContact CG1-CD 4.41Å; I386-K427 HydrophobicContact CG2-CB 4.25Å; T425-K427 VanDerWaalsContact C-N 3.31Å; T425-K427 PolarHBondContact O-N 2.92Å; K427-H431 PolarHBondContact O-CD2 2.89Å; K427-H431 PolarHBondContact O-N 2.71Å
428L96Very high92.4Very high1 Ų152.2 Ų52.21%0.00523%0.232CC..Hα-helixtrans-64.2-50.1175.917474.5000110.4F325 F361 I369 L373 I386 A390 F394 V420 T425 K426 R430 G432F325-L428 HydrophobicContact CE1-CD2 4.25Å; F361-L428 HydrophobicContact CE2-CD1 4.22Å; F361-L428 HydrophobicContact CE2-CD2 4.11Å; F361-L428 HydrophobicContact CZ-CD1 4.41Å; F361-L428 HydrophobicContact CZ-CD2 3.62Å; I369-L428 HydrophobicContact CG2-CD1 3.51Å; L373-L428 HydrophobicContact CD1-CD1 4.43Å; I386-L428 HydrophobicContact CG2-CB 4.34Å; A390-L428 HydrophobicContact CB-CB 4.15Å; A390-L428 HydrophobicContact CB-CD2 3.65Å; A390-L428 HydrophobicContact CB-CG 4.44Å; F394-L428 HydrophobicContact CE1-CD2 4.46Å; V420-L428 HydrophobicContact CG1-CD2 4.19Å; T425-L428 WeakPolarHBondContact O-CA 3.06Å; T425-L428 WeakPolarHBondContact O-CB 3.13Å; T425-L428 PolarHBondContact O-N 2.91Å; K426-L428 PolarHBondContact O-N 2.96Å; L428-R430 PolarHBondContact O-N 3.04Å; L428-G432 WeakPolarHBondContact O-CA 3.17Å; L428-G432 PolarHBondContact O-N 2.96Å
429C95.2Very high92.3Very high9 Ų953.6 Ų53.66%0.06125%0.248CC..Hα-helixtrans-71.1-31-174.7-660000114.1W327 C422 T425 K426 L433W327-C429 HydrophobicContact CE3-CB 4.02Å; W327-C429 HydrophobicContact CZ3-CB 3.62Å; C422-C429 WeakPolarHBondContact CA-SG 3.49Å; C422-C429 HydrophobicContact CB-CB 3.49Å; C422-C429 VanDerWaalsContact CB-CB 3.49Å; C422-C429 WeakPolarHBondContact CB-SG 3.42Å; C422-C429 WeakPolarHBondContact SG-CB 3.47Å; C422-C429 CovalentContact SG-SG 2.03Å; C422-C429 PolarHBondContact SG-SG 3.09Å; T425-C429 PolarHBondContact O-N 3.34Å; T425-C429 PolarHBondContact OG1-SG 3.07Å; T425-C429 VanDerWaalsContact OG1-SG 3.41Å; K426-C429 PolarHBondContact O-N 3.1Å; C429-L433 HydrophobicContact CB-CD1 3.95Å
430R94.2Very high92.1Very high152 Ų15256.5 Ų56.557%0.57426%0.26SS*.Hα-helixtrans-75.7-40.2178.9-74.6179.1179.4-170.7-4.4113.2W327 K426 L428W327-R430 HydrophobicContact CH2-CG 3.63Å; W327-R430 HydrophobicContact CZ3-CG 4.34Å; K426-R430 VanDerWaalsContact O-CB 3.27Å; K426-R430 WeakPolarHBondContact O-CB 3.28Å; K426-R430 VanDerWaalsContact O-CG 3.28Å; K426-R430 WeakPolarHBondContact O-CG 3.32Å; K426-R430 PolarHBondContact O-N 3.27Å; L428-R430 PolarHBondContact O-N 3.04Å
431H95.7Very high92Very high54 Ų5461.5 Ų61.525%0.2529%0.287CS..Hα-helixtrans-116-20.6-168.9-55.5-73.8000113.4S372 L373 E376 F377 K427S372-H431 CarbonylContact C-O 3.59Å; S372-H431 VanDerWaalsContact C-O 3.31Å; S372-H431 VanDerWaalsContact CB-O 3.27Å; S372-H431 WeakPolarHBondContact CB-O 3.27Å; L373-H431 HydrophobicContact CD2-CB 4.01Å; E376-H431 HydrophobicContact CB-CB 4.3Å; E376-H431 HydrophobicContact CG-CB 4.01Å; E376-H431 WeakPolarHBondContact CG-ND1 3.49Å; E376-H431 IonicContact OE2-CE1 3.97Å; E376-H431 IonicContact OE2-ND1 2.92Å; F377-H431 HydrophobicContact CE2-CB 4.21Å; K427-H431 PolarHBondContact O-CD2 2.89Å; K427-H431 PolarHBondContact O-N 2.71Å
432G95.8Very high91.9Very high0 Ų061.1 Ų61.10%028%0.284CS..SBendtrans-97.3-7.1-172.200000115.2I369 L428I369-G432 VanDerWaalsContact CA-O 3.27Å; I369-G432 WeakPolarHBondContact CA-O 3.35Å; I369-G432 WeakPolarHBondContact CG1-O 3.37Å; L428-G432 WeakPolarHBondContact O-CA 3.17Å; L428-G432 PolarHBondContact O-N 2.96Å
433L96Very high91.9Very high3 Ų364 Ų642%0.01630%0.301CS..SBendtrans-100.7-10.8-171.9-56.7-176.4000114.3F325 L336 C429 M436 R437 W444F325-L433 HydrophobicContact CD1-CD1 3.85Å; F325-L433 HydrophobicContact CD1-CD2 4.02Å; F325-L433 HydrophobicContact CE1-CD1 4.21Å; F325-L433 HydrophobicContact CE1-CD2 3.51Å; F325-L433 HydrophobicContact CE1-CG 4.5Å; F325-L433 HydrophobicContact CE2-CD2 4.32Å; F325-L433 HydrophobicContact CG-CD1 4.22Å; F325-L433 HydrophobicContact CZ-CD2 3.69Å; L336-L433 HydrophobicContact CD2-CD1 4.12Å; C429-L433 HydrophobicContact CB-CD1 3.95Å; L433-M436 HydrophobicContact CD2-CE 3.5Å; L433-M436 VanDerWaalsContact CD2-CE 3.5Å; L433-M436 HydrophobicContact CD2-SD 4.18Å; L433-M436 PolarHBondContact O-N 2.58Å; L433-R437 HydrophobicContact CB-CG 4.24Å; L433-R437 WeakPolarHBondContact O-CB 3.35Å; L433-R437 WeakPolarHBondContact O-CG 3.46Å; L433-R437 PolarHBondContact O-N 3.11Å; L433-W444 HydrophobicContact CD1-CZ2 4.18Å
434T94.7Very high92.1Very high56 Ų5661.3 Ų61.334%0.34429%0.288SS..Hα-helixtrans-54.6-61.3-170.7-52.40000112.9M436 R437 E438T434-M436 VanDerWaalsContact C-N 3.29Å; T434-M436 PolarHBondContact O-N 3.11Å; T434-R437 WeakPolarHBondContact O-CB 3.18Å; T434-R437 PolarHBondContact O-N 3.35Å; T434-E438 WeakPolarHBondContact O-CG 3.34Å; T434-E438 PolarHBondContact O-N 3.37Å
435K93.1Very high92Very high61 Ų6155.7 Ų55.727%0.26526%0.264SS..Hα-helixtrans-66.3-31.2-178.7-66.1-170.4173.4-149.20113.5L368 E371 S372 A439L368-K435 HydrophobicContact CB-CB 4.26Å; L368-K435 HydrophobicContact CD2-CB 4.24Å; E371-K435 HydrophobicContact CB-CD 3.64Å; E371-K435 WeakPolarHBondContact OE2-CD 3.23Å; E371-K435 IonicContact OE2-NZ 3.55Å; E371-K435 PolarHBondContact OE2-NZ 2.96Å; S372-K435 VanDerWaalsContact OG-CB 3.3Å; S372-K435 WeakPolarHBondContact OG-CB 3.33Å; S372-K435 WeakPolarHBondContact OG-CG 3.42Å; S372-K435 PolarHBondContact OG-N 2.58Å; K435-A439 VanDerWaalsContact O-CB 3.28Å; K435-A439 WeakPolarHBondContact O-CB 3.34Å; K435-A439 PolarHBondContact O-N 3.15Å
436M92Very high91.6Very high0 Ų058.8 Ų58.80%028%0.28CS..Hα-helixtrans-66-45.8175.2178.4-138.3-71.100110.3F325 I349 L368 I369 L433 T434 E438 A439 F440 L442F325-M436 HydrophobicContact CE2-CE 3.76Å; F325-M436 HydrophobicContact CE2-SD 4.03Å; F325-M436 HydrophobicContact CZ-CE 3.68Å; F325-M436 HydrophobicContact CZ-SD 4.5Å; I349-M436 HydrophobicContact CD1-CE 4.21Å; I349-M436 HydrophobicContact CD1-CG 3.95Å; I349-M436 HydrophobicContact CD1-SD 3.19Å; I349-M436 WeakPolarHBondContact CD1-SD 3.23Å; L368-M436 HydrophobicContact CB-CB 4.26Å; I369-M436 HydrophobicContact CD1-CE 3.43Å; I369-M436 VanDerWaalsContact CD1-CE 3.43Å; I369-M436 HydrophobicContact CG1-CE 3.47Å; I369-M436 VanDerWaalsContact CG1-CE 3.47Å; L433-M436 HydrophobicContact CD2-CE 3.5Å; L433-M436 VanDerWaalsContact CD2-CE 3.5Å; L433-M436 HydrophobicContact CD2-SD 4.18Å; L433-M436 PolarHBondContact O-N 2.58Å; T434-M436 VanDerWaalsContact C-N 3.29Å; T434-M436 PolarHBondContact O-N 3.11Å; M436-E438 VanDerWaalsContact C-N 3.3Å; M436-E438 PolarHBondContact O-N 2.81Å; M436-A439 PolarHBondContact O-N 2.86Å; M436-F440 HydrophobicContact CG-CD2 3.77Å; M436-F440 HydrophobicContact CG-CE2 4.11Å; M436-F440 WeakPolarHBondContact O-CB 3.09Å; M436-F440 VanDerWaalsContact O-CD2 3.29Å; M436-F440 WeakPolarHBondContact O-CD2 3.48Å; M436-F440 PolarHBondContact O-N 3.5Å; M436-L442 HydrophobicContact SD-CD1 4.31Å
437R93.9Very high90.8Very high86 Ų8654.3 Ų54.333%0.32526%0.261SS..Hα-helixtrans-60.4-41.5177.3-73.3176.360.6-151.4-4.4111.9L336 L433 T434 N441 L442L336-R437 HydrophobicContact CD1-CG 3.93Å; L336-R437 HydrophobicContact CD2-CG 3.97Å; L336-R437 HydrophobicContact CG-CG 4.49Å; L433-R437 HydrophobicContact CB-CG 4.24Å; L433-R437 WeakPolarHBondContact O-CB 3.35Å; L433-R437 WeakPolarHBondContact O-CG 3.46Å; L433-R437 PolarHBondContact O-N 3.11Å; T434-R437 WeakPolarHBondContact O-CB 3.18Å; T434-R437 PolarHBondContact O-N 3.35Å; R437-N441 CarbonylContact O-C 3.56Å; R437-N441 WeakPolarHBondContact O-CA 3.49Å; R437-N441 PolarHBondContact O-N 2.87Å; R437-L442 HydrophobicContact CB-CB 4.46Å; R437-L442 HydrophobicContact CG-CB 4.25Å; R437-L442 PolarHBondContact NE-O 3.19Å; R437-L442 VanDerWaalsContact NE-O 3.11Å; R437-L442 PolarHBondContact O-N 3.11Å
438E91.7Very high89.5Confident135 Ų13553.6 Ų53.663%0.63126%0.258SS*.Hα-helixtrans-63.3-49.7175.1-69.5165.4-175.100111.5T434 M436 F440 N441T434-E438 WeakPolarHBondContact O-CG 3.34Å; T434-E438 PolarHBondContact O-N 3.37Å; M436-E438 VanDerWaalsContact C-N 3.3Å; M436-E438 PolarHBondContact O-N 2.81Å; E438-F440 VanDerWaalsContact C-N 3.34Å; E438-F440 PolarHBondContact O-N 3.41Å; E438-N441 PolarHBondContact O-N 3.17Å
439A82.5Confident87.8Confident52 Ų5257.8 Ų57.843%0.4328%0.279SS..Hα-helixtrans-65.9-33.2-176.600000113.8L368 K435 M436L368-A439 HydrophobicContact CD1-CB 3.51Å; K435-A439 VanDerWaalsContact O-CB 3.28Å; K435-A439 WeakPolarHBondContact O-CB 3.34Å; K435-A439 PolarHBondContact O-N 3.15Å; M436-A439 PolarHBondContact O-N 2.86Å
440F79.7Confident85.8Confident64 Ų6462.9 Ų62.928%0.28130%0.303SS..Hα-helixtrans-103.53.8-178.6-68.6-82.1000113.3I349 L364 P365 L368 M436 E438 L442I349-F440 HydrophobicContact CG2-CE1 4.33Å; I349-F440 HydrophobicContact CG2-CE2 4.31Å; I349-F440 HydrophobicContact CG2-CZ 4.06Å; L364-F440 HydrophobicContact CD2-CE1 4.4Å; L364-F440 HydrophobicContact CD2-CE2 4.18Å; L364-F440 HydrophobicContact CD2-CZ 3.58Å; L364-F440 HydrophobicContact CG-CZ 4.32Å; P365-F440 HydrophobicContact CG-CE2 4.07Å; P365-F440 HydrophobicContact CG-CZ 3.99Å; L368-F440 HydrophobicContact CD1-CD2 4.44Å; L368-F440 HydrophobicContact CD1-CE2 3.97Å; M436-F440 HydrophobicContact CG-CD2 3.77Å; M436-F440 HydrophobicContact CG-CE2 4.11Å; M436-F440 WeakPolarHBondContact O-CB 3.09Å; M436-F440 VanDerWaalsContact O-CD2 3.29Å; M436-F440 WeakPolarHBondContact O-CD2 3.48Å; M436-F440 PolarHBondContact O-N 3.5Å; E438-F440 VanDerWaalsContact C-N 3.34Å; E438-F440 PolarHBondContact O-N 3.41Å; F440-L442 HydrophobicContact CB-CD1 3.74Å; F440-L442 HydrophobicContact CB-CD2 4.26Å; F440-L442 HydrophobicContact CB-CG 3.66Å
441N88.9Confident83.7Confident106 Ų10660.1 Ų60.157%0.56730%0.299SS*.THydrogen-bonded Turntrans50.753.7-175-166.146000113.3R437 E438R437-N441 CarbonylContact O-C 3.56Å; R437-N441 WeakPolarHBondContact O-CA 3.49Å; R437-N441 PolarHBondContact O-N 2.87Å; E438-N441 PolarHBondContact O-N 3.17Å
442L88.8Confident81.5Confident8 Ų859.8 Ų59.84%0.04230%0.302CS..  trans-104.8130.9-174.8-55.2171000113.1L336 K337 K338 I349 M436 R437 F440L336-L442 HydrophobicContact CD1-CB 3.88Å; L336-L442 HydrophobicContact CD2-CB 4.44Å; L336-L442 HydrophobicContact CD2-CD1 4.3Å; L336-L442 HydrophobicContact CG-CB 3.87Å; L336-L442 HydrophobicContact CG-CD1 4.32Å; K337-L442 WeakPolarHBondContact O-CA 3.49Å; K338-L442 HydrophobicContact CB-CD2 4.32Å; I349-L442 HydrophobicContact CD1-CD1 3.51Å; I349-L442 HydrophobicContact CG1-CD1 4.06Å; M436-L442 HydrophobicContact SD-CD1 4.31Å; R437-L442 HydrophobicContact CB-CB 4.46Å; R437-L442 HydrophobicContact CG-CB 4.25Å; R437-L442 PolarHBondContact NE-O 3.19Å; R437-L442 VanDerWaalsContact NE-O 3.11Å; R437-L442 PolarHBondContact O-N 3.11Å; F440-L442 HydrophobicContact CB-CD1 3.74Å; F440-L442 HydrophobicContact CB-CD2 4.26Å; F440-L442 HydrophobicContact CB-CG 3.66Å
443T92.7Very high79Confident60 Ų6066.4 Ų66.437%0.36833%0.333SS..EExtended strand (participates in β ladder)trans-125157.7178.841.20000111.6L336 K337 H445L336-T443 WeakPolarHBondContact CA-O 2.94Å; K337-T443 PolarHBondContact N-O 3.3Å; K337-T443 PolarHBondContact O-N 3.04Å; K337-T443 VanDerWaalsContact O-O 3.04Å; T443-H445 PolarHBondContact O-CD2 3.36Å; T443-H445 VanDerWaalsContact O-CD2 3.27Å; T443-H445 PolarHBondContact OG1-NE2 2.8Å
444W92.9Very high76.3Confident64 Ų6467.4 Ų67.424%0.24234%0.344CS..EExtended strand (participates in β ladder)trans-83.3124.3177.5-70105000109.3F325 W327 L334 V335 L336 L433F325-W444 HydrophobicContact CB-CH2 3.96Å; F325-W444 HydrophobicContact CB-CZ3 4.45Å; W327-W444 HydrophobicContact CB-CE3 4.22Å; W327-W444 HydrophobicContact CB-CH2 3.93Å; W327-W444 HydrophobicContact CB-CZ3 3.71Å; W327-W444 HydrophobicContact CE3-CH2 4.07Å; W327-W444 AromaticContact CE3-CZ2 3.85Å; W327-W444 HydrophobicContact CE3-CZ2 3.85Å; L334-W444 HydrophobicContact CB-CB 4.41Å; L334-W444 HydrophobicContact CB-CD2 4.42Å; L334-W444 HydrophobicContact CB-CE3 3.67Å; L334-W444 HydrophobicContact CB-CZ3 4.36Å; L334-W444 HydrophobicContact CD1-CB 4.36Å; V335-W444 WeakPolarHBondContact O-CA 3.49Å; L336-W444 HydrophobicContact CB-CD2 4.35Å; L336-W444 HydrophobicContact CB-CE3 3.99Å; L336-W444 HydrophobicContact CB-CH2 4.03Å; L336-W444 HydrophobicContact CB-CZ2 4.39Å; L336-W444 HydrophobicContact CB-CZ3 3.82Å; L336-W444 HydrophobicContact CD1-CD2 4.04Å; L336-W444 HydrophobicContact CD1-CG 4.27Å; L336-W444 HydrophobicContact CD1-CZ2 4.4Å; L433-W444 HydrophobicContact CD1-CZ2 4.18Å
445H88.3Confident73.6Confident28 Ų2865.6 Ų65.613%0.1333%0.332CS..EExtended strand (participates in β ladder)trans-119.4146.3178.2-68.8-85000110.4L334 V335 K337 D340 T443 M447L334-H445 CarbonylContact C-O 3.53Å; L334-H445 VanDerWaalsContact CA-O 3.23Å; L334-H445 WeakPolarHBondContact CA-O 3.5Å; V335-H445 HydrophobicContact CG1-CB 4.31Å; V335-H445 PolarHBondContact N-O 3.12Å; V335-H445 PolarHBondContact O-N 3.39Å; K337-H445 HydrophobicContact CG-CB 4.23Å; D340-H445 WeakPolarHBondContact CB-ND1 3.38Å; D340-H445 IonicContact OD1-CE1 2.76Å; D340-H445 IonicContact OD1-CG 2.9Å; D340-H445 IonicContact OD1-ND1 2.6Å; D340-H445 PolarHBondContact OD1-ND1 2.92Å; T443-H445 PolarHBondContact O-CD2 3.36Å; T443-H445 VanDerWaalsContact O-CD2 3.27Å; T443-H445 PolarHBondContact OG1-NE2 2.8Å; H445-M447 PolarHBondContact O-N 3.07Å
446D84.5Confident71.1Confident72 Ų7264.2 Ų64.239%0.38533%0.327SS..EExtended strand (participates in β ladder)trans-64.3128.4172.3-81.3-19.7000109.1K332 L334 K448K332-D446 IonicContact NZ-OD1 2.72Å; K332-D446 IonicContact NZ-OD2 2.75Å; K332-D446 PolarHBondContact NZ-OD2 3.47Å; L334-D446 WeakPolarHBondContact CD2-OD1 3.48Å; D446-K448 PolarHBondContact O-N 2.99Å
447M75.1Confident68.8Low15 Ų1571.6 Ų71.67%0.07436%0.359CS..  trans-71.5113.6173.8-174.2172.9-77.800108.6I326 V333 V335 Y344 H445 I449 L486 I489 I490I326-M447 HydrophobicContact CD1-CE 4.48Å; V333-M447 HydrophobicContact CB-CB 4.09Å; V333-M447 HydrophobicContact CG1-CB 4.22Å; V333-M447 HydrophobicContact CG1-CE 4.25Å; V333-M447 HydrophobicContact CG1-SD 4.06Å; V333-M447 WeakPolarHBondContact O-CB 3.26Å; V333-M447 PolarHBondContact O-N 2.91Å; V335-M447 HydrophobicContact CB-CE 4.15Å; V335-M447 HydrophobicContact CG2-CE 4.37Å; Y344-M447 HydrophobicContact CE1-CE 4.23Å; Y344-M447 HydrophobicContact CE1-CG 3.91Å; Y344-M447 VanDerWaalsContact OH-CG 3.24Å; Y344-M447 WeakPolarHBondContact OH-CG 3.48Å; H445-M447 PolarHBondContact O-N 3.07Å; M447-I449 HydrophobicContact CG-CG1 4.29Å; M447-I449 PolarHBondContact O-N 2.98Å; M447-I449 VanDerWaalsContact O-N 3.12Å; M447-L486 HydrophobicContact CE-CD2 4.13Å; M447-L486 HydrophobicContact SD-CD2 3.29Å; M447-L486 WeakPolarHBondContact SD-CD2 3.45Å; M447-I489 HydrophobicContact SD-CG2 4.4Å; M447-I490 HydrophobicContact CE-CD1 3.64Å; M447-I490 HydrophobicContact CE-CG1 3.63Å; M447-I490 HydrophobicContact SD-CG1 4.47Å
448K67.9Low66Low99 Ų9969.7 Ų69.743%0.4336%0.36SS..  trans-77.898.7171-67.9168.9-176.2177.20107.5D342 Y344 D446 E450D342-K448 WeakPolarHBondContact OD1-CD 3.26Å; D342-K448 WeakPolarHBondContact OD1-CE 3.36Å; D342-K448 IonicContact OD1-NZ 3.23Å; D342-K448 PolarHBondContact OD1-NZ 3.03Å; Y344-K448 PolarHBondContact OH-N 3.05Å; Y344-K448 PolarHBondContact OH-O 2.94Å; D446-K448 PolarHBondContact O-N 2.99Å; K448-E450 PolarHBondContact O-N 2.96Å
449I59.6Low63.6Low89 Ų8963.7 Ų63.746%0.45633%0.332SS..  trans-73.982.8173.2-60.2176.6000106.2M447 P452 I489M447-I449 HydrophobicContact CG-CG1 4.29Å; M447-I449 PolarHBondContact O-N 2.98Å; M447-I449 VanDerWaalsContact O-N 3.12Å; I449-P452 HydrophobicContact CG2-CG 3.76Å; I449-I489 HydrophobicContact CB-CD1 4.41Å; I449-I489 HydrophobicContact CG1-CD1 4.33Å; I449-I489 HydrophobicContact CG2-CD1 3.73Å
450E54Low61.8Low117 Ų11763.8 Ų63.855%0.54733%0.327SS..  trans-62.6150.2160.4-69.3-172.716500108.7K448 P452K448-E450 PolarHBondContact O-N 2.96Å; E450-P452 WeakPolarHBondContact O-CD 3.46Å
451D49.9Very low59.8Low94 Ų9463.5 Ų63.550%0.50333%0.333SS..  trans-30.4105.8-174.3172.822.7000112.1Q453 G454 L455D451-Q453 PolarHBondContact O-N 2.88Å; D451-Q453 WeakPolarHBondContact OD1-CB 3.44Å; D451-Q453 PolarHBondContact OD1-N 2.74Å; D451-G454 VanDerWaalsContact CG-N 3.3Å; D451-G454 WeakPolarHBondContact O-CA 3.47Å; D451-G454 PolarHBondContact O-N 3.08Å; D451-G454 WeakPolarHBondContact OD2-CA 3.43Å; D451-G454 PolarHBondContact OD2-N 3.28Å; D451-L455 PolarHBondContact O-N 3.29Å
452P49.3Very low57.3Low46 Ų4660 Ų6030%0.29931%0.314SS..Hα-helixtrans-55.7-26.1-177.3-24.931.4000112.5I449 E450 N456 I489I449-P452 HydrophobicContact CG2-CG 3.76Å; E450-P452 WeakPolarHBondContact O-CD 3.46Å; P452-N456 WeakPolarHBondContact O-CB 3.42Å; P452-N456 PolarHBondContact O-N 3.21Å; P452-N456 VanDerWaalsContact O-N 3.12Å; P452-I489 HydrophobicContact CB-CD1 4.38Å; P452-I489 HydrophobicContact CG-CD1 4.32Å
453Q43.4Very low55.2Low139 Ų13961.6 Ų61.665%0.6532%0.324SS*.Hα-helixtrans-76.6-45176.4-56.6-173.73.100111.7D451 N456 K457D451-Q453 PolarHBondContact O-N 2.88Å; D451-Q453 WeakPolarHBondContact OD1-CB 3.44Å; D451-Q453 PolarHBondContact OD1-N 2.74Å; Q453-N456 PolarHBondContact O-N 2.82Å; Q453-K457 WeakPolarHBondContact O-CG 3.42Å; Q453-K457 PolarHBondContact O-N 2.73Å
454G38.7Very low53Low24 Ų2464.2 Ų64.225%0.24733%0.333CS..Hα-helixtrans-60.9-40.317400000113.2D451 K457 S458D451-G454 VanDerWaalsContact CG-N 3.3Å; D451-G454 WeakPolarHBondContact O-CA 3.47Å; D451-G454 PolarHBondContact O-N 3.08Å; D451-G454 WeakPolarHBondContact OD2-CA 3.43Å; D451-G454 PolarHBondContact OD2-N 3.28Å; G454-K457 PolarHBondContact O-N 2.97Å; G454-S458 WeakPolarHBondContact O-CB 3.35Å; G454-S458 PolarHBondContact O-N 2.92Å; G454-S458 PolarHBondContact O-OG 3.3Å
455L38.4Very low50.4Low18 Ų1865 Ų659%0.09435%0.348CS..Hα-helixtrans-70.4-43.4175.8-170.140.9000111.4D451 K457 S458 V459 I489D451-L455 PolarHBondContact O-N 3.29Å; L455-K457 VanDerWaalsContact C-N 3.31Å; L455-K457 PolarHBondContact O-N 3.08Å; L455-S458 CarbonylContact O-C 3.52Å; L455-S458 WeakPolarHBondContact O-CB 3.17Å; L455-S458 PolarHBondContact O-N 3.28Å; L455-V459 HydrophobicContact CD1-CG2 4.29Å; L455-V459 HydrophobicContact CG-CG2 4.44Å; L455-V459 WeakPolarHBondContact O-CG2 3.22Å; L455-V459 PolarHBondContact O-N 3.46Å; L455-I489 HydrophobicContact CD2-CB 3.7Å; L455-I489 HydrophobicContact CD2-CG1 3.84Å; L455-I489 HydrophobicContact CD2-CG2 3.55Å; L455-I489 WeakPolarHBondContact CD2-O 3.47Å; L455-I489 HydrophobicContact CG-CG1 4.5Å
456N41.9Very low48.6Very low33 Ų3366.2 Ų66.218%0.17635%0.353CS..Hα-helixtrans-58.6-40.8173.9-169.526.7000112.6P452 Q453 T460 K482P452-N456 WeakPolarHBondContact O-CB 3.42Å; P452-N456 PolarHBondContact O-N 3.21Å; P452-N456 VanDerWaalsContact O-N 3.12Å; Q453-N456 PolarHBondContact O-N 2.82Å; N456-T460 VanDerWaalsContact O-CB 3.26Å; N456-T460 WeakPolarHBondContact O-CB 3.4Å; N456-T460 PolarHBondContact O-N 2.86Å; N456-T460 PolarHBondContact O-OG1 3.48Å; N456-K482 WeakPolarHBondContact ND2-CE 3.22Å
457K42.3Very low47.2Very low154 Ų15469.9 Ų69.967%0.6736%0.361SS*.Hα-helixtrans-62.5-41.8173-77178.7-179.6177.90111.8Q453 G454 L455 T460 S461Q453-K457 WeakPolarHBondContact O-CG 3.42Å; Q453-K457 PolarHBondContact O-N 2.73Å; G454-K457 PolarHBondContact O-N 2.97Å; L455-K457 VanDerWaalsContact C-N 3.31Å; L455-K457 PolarHBondContact O-N 3.08Å; K457-T460 PolarHBondContact O-N 2.98Å; K457-S461 WeakPolarHBondContact O-CB 3.25Å; K457-S461 PolarHBondContact O-N 2.76Å; K457-S461 PolarHBondContact O-OG 3.47Å
458S35.1Very low46.1Very low47 Ų4775.3 Ų75.333%0.32939%0.391SS..Hα-helixtrans-68.1-42.1178.1-570000112.3G454 L455 T460 S461 L462G454-S458 WeakPolarHBondContact O-CB 3.35Å; G454-S458 PolarHBondContact O-N 2.92Å; G454-S458 PolarHBondContact O-OG 3.3Å; L455-S458 CarbonylContact O-C 3.52Å; L455-S458 WeakPolarHBondContact O-CB 3.17Å; L455-S458 PolarHBondContact O-N 3.28Å; S458-T460 VanDerWaalsContact C-N 3.32Å; S458-T460 PolarHBondContact O-N 2.97Å; S458-S461 WeakPolarHBondContact CA-OG 3.34Å; S458-S461 PolarHBondContact O-N 2.96Å; S458-S461 PolarHBondContact O-OG 2.91Å; S458-L462 WeakPolarHBondContact O-CB 3.29Å; S458-L462 WeakPolarHBondContact O-CD1 3.27Å; S458-L462 WeakPolarHBondContact O-CG 3.48Å; S458-L462 PolarHBondContact O-N 3.43Å
459V42.4Very low45.7Very low9 Ų975.8 Ų75.86%0.05540%0.398CS..Hα-helixtrans-58.4-49.2172.9-171.30000109.8L455 L462 T463 S488 F491 L495L455-V459 HydrophobicContact CD1-CG2 4.29Å; L455-V459 HydrophobicContact CG-CG2 4.44Å; L455-V459 WeakPolarHBondContact O-CG2 3.22Å; L455-V459 PolarHBondContact O-N 3.46Å; V459-L462 PolarHBondContact O-N 3.1Å; V459-T463 WeakPolarHBondContact O-CB 2.96Å; V459-T463 PolarHBondContact O-N 3.14Å; V459-T463 PolarHBondContact O-OG1 2.87Å; V459-S488 WeakPolarHBondContact CG2-O 3.41Å; V459-F491 HydrophobicContact CG1-CD1 3.63Å; V459-F491 HydrophobicContact CG1-CE1 4.05Å; V459-L495 HydrophobicContact CG1-CD1 3.95Å
460T44Very low45.9Very low53 Ų5373.9 Ų73.933%0.32539%0.387SS..Hα-helixtrans-62.1-47.7-177.4-57.50000109.6N456 K457 S458 L462 T463 E464N456-T460 VanDerWaalsContact O-CB 3.26Å; N456-T460 WeakPolarHBondContact O-CB 3.4Å; N456-T460 PolarHBondContact O-N 2.86Å; N456-T460 PolarHBondContact O-OG1 3.48Å; K457-T460 PolarHBondContact O-N 2.98Å; S458-T460 VanDerWaalsContact C-N 3.32Å; S458-T460 PolarHBondContact O-N 2.97Å; T460-L462 VanDerWaalsContact C-N 3.34Å; T460-L462 PolarHBondContact O-N 2.96Å; T460-T463 PolarHBondContact O-N 3.49Å; T460-E464 HydrophobicContact CG2-CG 4.34Å; T460-E464 VanDerWaalsContact CG2-OE1 3.32Å; T460-E464 WeakPolarHBondContact CG2-OE1 3.26Å; T460-E464 VanDerWaalsContact O-CB 3.28Å; T460-E464 WeakPolarHBondContact O-CB 3.42Å; T460-E464 WeakPolarHBondContact O-CG 3.43Å; T460-E464 PolarHBondContact O-N 2.81Å
461S37.2Very low46.4Very low59 Ų5974.7 Ų74.741%0.41339%0.391SS..Hα-helixtrans-65.5-32.4178.768.80000113.5K457 S458 S465K457-S461 WeakPolarHBondContact O-CB 3.25Å; K457-S461 PolarHBondContact O-N 2.76Å; K457-S461 PolarHBondContact O-OG 3.47Å; S458-S461 WeakPolarHBondContact CA-OG 3.34Å; S458-S461 PolarHBondContact O-N 2.96Å; S458-S461 PolarHBondContact O-OG 2.91Å; S461-S465 WeakPolarHBondContact O-CB 3.34Å; S461-S465 PolarHBondContact O-N 3.18Å; S461-S465 PolarHBondContact O-OG 2.82Å; S461-S465 VanDerWaalsContact O-OG 3.09Å
462L37.1Very low47.7Very low31 Ų3175.1 Ų75.116%0.16239%0.39CS..Hα-helixtrans-76.3-35.1175.5-70.9154.7000113.1S458 V459 T460 E464 S465 K466 L495 L496S458-L462 WeakPolarHBondContact O-CB 3.29Å; S458-L462 WeakPolarHBondContact O-CD1 3.27Å; S458-L462 WeakPolarHBondContact O-CG 3.48Å; S458-L462 PolarHBondContact O-N 3.43Å; V459-L462 PolarHBondContact O-N 3.1Å; T460-L462 VanDerWaalsContact C-N 3.34Å; T460-L462 PolarHBondContact O-N 2.96Å; L462-E464 VanDerWaalsContact C-N 3.33Å; L462-S465 PolarHBondContact O-OG 2.81Å; L462-K466 WeakPolarHBondContact O-CB 3.24Å; L462-K466 WeakPolarHBondContact O-CG 3.32Å; L462-K466 PolarHBondContact O-N 3.39Å; L462-L495 HydrophobicContact CB-CB 4.35Å; L462-L496 HydrophobicContact CD1-CB 4.08Å; L462-L496 HydrophobicContact CD1-CD1 4.46Å; L462-L496 HydrophobicContact CD1-CD2 3.29Å; L462-L496 HydrophobicContact CD1-CG 3.28Å; L462-L496 HydrophobicContact CD2-CD2 4.01Å; L462-L496 HydrophobicContact CG-CD2 4.17Å
463T44.2Very low49.3Very low42 Ų4274.4 Ų74.426%0.25838%0.381SS..Hα-helixtrans-70-37.3174.6-460000109.8V459 T460 Y476 L495V459-T463 WeakPolarHBondContact O-CB 2.96Å; V459-T463 PolarHBondContact O-N 3.14Å; V459-T463 PolarHBondContact O-OG1 2.87Å; T460-T463 PolarHBondContact O-N 3.49Å; T463-Y476 HydrophobicContact CG2-CD1 4.42Å; T463-L495 WeakPolarHBondContact OG1-CD1 3.32Å
464E47.1Very low51.1Low116 Ų11668.5 Ų68.554%0.54236%0.355SS..Hα-helixtrans-73.4-41.7175.4-72.8172.3174.300112.2T460 L462 R467T460-E464 HydrophobicContact CG2-CG 4.34Å; T460-E464 VanDerWaalsContact CG2-OE1 3.32Å; T460-E464 WeakPolarHBondContact CG2-OE1 3.26Å; T460-E464 VanDerWaalsContact O-CB 3.28Å; T460-E464 WeakPolarHBondContact O-CB 3.42Å; T460-E464 WeakPolarHBondContact O-CG 3.43Å; T460-E464 PolarHBondContact O-N 2.81Å; L462-E464 VanDerWaalsContact C-N 3.33Å; E464-R467 WeakPolarHBondContact O-CB 3.19Å; E464-R467 PolarHBondContact O-N 3.13Å
465S38.8Very low52.8Low81 Ų8168 Ų6857%0.56635%0.347SS*.Hα-helixtrans-73.6-29-177.570.90000114.2S461 L462 R467S461-S465 WeakPolarHBondContact O-CB 3.34Å; S461-S465 PolarHBondContact O-N 3.18Å; S461-S465 PolarHBondContact O-OG 2.82Å; S461-S465 VanDerWaalsContact O-OG 3.09Å; L462-S465 PolarHBondContact O-OG 2.81Å; S465-R467 VanDerWaalsContact C-N 3.25Å
466K50Low54.4Low52 Ų5269.7 Ų69.723%0.22635%0.352CS..THydrogen-bonded Turntrans-77.3-12.1171.9-74.2-174.8179.6169.70113.2L462 D468 L495L462-K466 WeakPolarHBondContact O-CB 3.24Å; L462-K466 WeakPolarHBondContact O-CG 3.32Å; L462-K466 PolarHBondContact O-N 3.39Å; K466-D468 PolarHBondContact O-N 2.77Å; K466-L495 PolarHBondContact NZ-O 3.02Å
467R54.9Low55.6Low149 Ų14971.4 Ų71.456%0.56237%0.366SS*.Hα-helixtrans-60.2-43.4-171.8-163.9173.8-170.7168.93.4111.9E464 S465 D469 E470 E471E464-R467 WeakPolarHBondContact O-CB 3.19Å; E464-R467 PolarHBondContact O-N 3.13Å; S465-R467 VanDerWaalsContact C-N 3.25Å; R467-D469 VanDerWaalsContact C-N 3.32Å; R467-D469 PolarHBondContact O-N 3.32Å; R467-D469 VanDerWaalsContact O-N 3.11Å; R467-E470 PolarHBondContact O-N 2.78Å; R467-E471 HydrophobicContact CG-CG 4.13Å; R467-E471 WeakPolarHBondContact O-CG 3.42Å; R467-E471 PolarHBondContact O-N 3.17Å
468D52.9Low56.5Low130 Ų13066.6 Ų66.670%0.69535%0.346SS*.Hα-helixtrans-62.3-28.5-163.4-64.4-11.7000115.6K466K466-D468 PolarHBondContact O-N 2.77Å
469D57.5Low57.4Low108 Ų10874.1 Ų74.158%0.57837%0.373SS*.Hα-helixtrans-110.3-7-179.4-80.1-31.6000114.5R233 R467R233-D469 PolarHBondContact NH1-O 3.42Å; R233-D469 VanDerWaalsContact NH1-O 3.13Å; R467-D469 VanDerWaalsContact C-N 3.32Å; R467-D469 PolarHBondContact O-N 3.32Å; R467-D469 VanDerWaalsContact O-N 3.11Å
470E64.7Low57.8Low50 Ų5077.2 Ų77.223%0.23438%0.384CS..Hα-helixtrans-126.816.1-169.3-59.2-172.3164.900113.4P403 R467 E472 Y473 Y476P403-E470 HydrophobicContact CG-CG 4.18Å; P403-E470 VanDerWaalsContact CG-OE1 3.32Å; P403-E470 WeakPolarHBondContact CG-OE1 3.44Å; P403-E470 WeakPolarHBondContact CG-OE2 3.37Å; R467-E470 PolarHBondContact O-N 2.78Å; E470-E472 PolarHBondContact O-N 3.19Å; E470-Y473 HydrophobicContact CB-CD2 3.88Å; E470-Y473 HydrophobicContact CB-CE2 4.4Å; E470-Y473 HydrophobicContact CG-CD2 4.44Å; E470-Y473 WeakPolarHBondContact O-CD2 3.41Å; E470-Y473 PolarHBondContact O-N 3.01Å; E470-Y476 HydrophobicContact CB-CD2 4.28Å; E470-Y476 HydrophobicContact CB-CE2 3.69Å; E470-Y476 WeakPolarHBondContact O-CD2 3.1Å; E470-Y476 WeakPolarHBondContact OE2-CE2 3.32Å; E470-Y476 VanDerWaalsContact OE2-CZ 3.29Å; E470-Y476 PolarHBondContact OE2-OH 2.86Å
471E64.7Low58Low133 Ų13382.5 Ų82.562%0.62140%0.402SS*.THydrogen-bonded Turntrans-55.1-27-176.5-60.8-162.2137.300114.8R467 Y473R467-E471 HydrophobicContact CG-CG 4.13Å; R467-E471 WeakPolarHBondContact O-CG 3.42Å; R467-E471 PolarHBondContact O-N 3.17Å; E471-Y473 VanDerWaalsContact C-N 3.27Å; E471-Y473 PolarHBondContact O-N 3.32Å
472E78.2Confident58.3Low103 Ų10387.6 Ų87.648%0.48142%0.417SS..THydrogen-bonded Turntrans-78.1-10.4-177.6-60.2-78.6-169.100112.8A301 E470A301-E472 HydrophobicContact CB-CB 4.43Å; E470-E472 PolarHBondContact O-N 3.19Å
473Y81.2Confident58.9Low32 Ų3294 Ų9413%0.12545%0.446CS..  trans-81.8122.5177.2-71.8-81.6000111.5A301 S401 L402 P403 E407 E470 E471 I475 Y476A301-Y473 HydrophobicContact CB-CD1 3.73Å; A301-Y473 HydrophobicContact CB-CD2 4.26Å; A301-Y473 HydrophobicContact CB-CE1 3.41Å; A301-Y473 VanDerWaalsContact CB-CE1 3.41Å; A301-Y473 HydrophobicContact CB-CE2 4Å; A301-Y473 HydrophobicContact CB-CG 4.15Å; S401-Y473 WeakPolarHBondContact O-CB 3.29Å; L402-Y473 VanDerWaalsContact C-CE1 3.44Å; P403-Y473 HydrophobicContact CB-CD2 4.49Å; P403-Y473 HydrophobicContact CB-CE1 4.2Å; P403-Y473 HydrophobicContact CB-CE2 3.93Å; P403-Y473 HydrophobicContact CG-CD1 4.43Å; P403-Y473 HydrophobicContact CG-CD2 3.88Å; P403-Y473 HydrophobicContact CG-CE1 4.36Å; P403-Y473 HydrophobicContact CG-CE2 3.79Å; P403-Y473 HydrophobicContact CG-CG 4.2Å; E407-Y473 WeakPolarHBondContact OE2-CE1 3.24Å; E407-Y473 PolarHBondContact OE2-OH 3.45Å; E470-Y473 HydrophobicContact CB-CD2 3.88Å; E470-Y473 HydrophobicContact CB-CE2 4.4Å; E470-Y473 HydrophobicContact CG-CD2 4.44Å; E470-Y473 WeakPolarHBondContact O-CD2 3.41Å; E470-Y473 PolarHBondContact O-N 3.01Å; E471-Y473 VanDerWaalsContact C-N 3.27Å; E471-Y473 PolarHBondContact O-N 3.32Å; Y473-I475 PolarHBondContact O-N 3.44Å; Y473-I475 VanDerWaalsContact O-N 3.14Å; Y473-Y476 PolarHBondContact O-N 3.22Å
474S82.6Confident59.2Low14 Ų1495.1 Ų95.110%0.09845%0.453CS..G310 helixtrans-70.3-15.7-170.878.30000114.2R280 C283 G400 S401 Y476 C477R280-S474 PolarHBondContact NH2-OG 3.13Å; C283-S474 WeakPolarHBondContact SG-CB 3.47Å; C283-S474 PolarHBondContact SG-OG 2.99Å; G400-S474 VanDerWaalsContact CA-OG 3.24Å; G400-S474 WeakPolarHBondContact CA-OG 3.44Å; S401-S474 PolarHBondContact N-OG 2.72Å; S401-S474 PolarHBondContact O-N 3.34Å; S401-S474 PolarHBondContact OG-N 3.38Å; S401-S474 PolarHBondContact OG-OG 2.72Å; S474-Y476 PolarHBondContact O-N 2.88Å; S474-C477 PolarHBondContact O-N 2.91Å
475I73.8Confident59.7Low13 Ų1392.9 Ų92.97%0.06745%0.45CS..G310 helixtrans-61.1-28.6174.8-160.4169000112.3V398 S401 L402 Y473 C477V398-I475 HydrophobicContact CB-CG1 4.35Å; V398-I475 HydrophobicContact CG1-CD1 3.87Å; V398-I475 HydrophobicContact CG1-CG1 3.93Å; V398-I475 HydrophobicContact CG2-CD1 4.38Å; V398-I475 HydrophobicContact CG2-CG1 3.5Å; V398-I475 VanDerWaalsContact CG2-CG1 3.5Å; V398-I475 WeakPolarHBondContact CG2-O 3.23Å; S401-I475 VanDerWaalsContact O-CB 3.25Å; S401-I475 WeakPolarHBondContact O-CB 3.09Å; S401-I475 VanDerWaalsContact O-CG2 3.26Å; S401-I475 WeakPolarHBondContact O-CG2 3.39Å; S401-I475 PolarHBondContact O-N 3.1Å; S401-I475 VanDerWaalsContact O-N 3.1Å; L402-I475 HydrophobicContact CB-CB 4.4Å; L402-I475 HydrophobicContact CB-CD1 3.93Å; L402-I475 HydrophobicContact CB-CG2 3.95Å; L402-I475 HydrophobicContact CD1-CD1 4.49Å; Y473-I475 PolarHBondContact O-N 3.44Å; Y473-I475 VanDerWaalsContact O-N 3.14Å; I475-C477 VanDerWaalsContact C-N 3.32Å
476Y70.9Confident60.6Low54 Ų5491.1 Ų91.121%0.21243%0.434CS..G310 helixtrans-84.9-6.3-178.9-60-58.2000113.8T463 E470 Y473 S474T463-Y476 HydrophobicContact CG2-CD1 4.42Å; E470-Y476 HydrophobicContact CB-CD2 4.28Å; E470-Y476 HydrophobicContact CB-CE2 3.69Å; E470-Y476 WeakPolarHBondContact O-CD2 3.1Å; E470-Y476 WeakPolarHBondContact OE2-CE2 3.32Å; E470-Y476 VanDerWaalsContact OE2-CZ 3.29Å; E470-Y476 PolarHBondContact OE2-OH 2.86Å; Y473-Y476 PolarHBondContact O-N 3.22Å; S474-Y476 PolarHBondContact O-N 2.88Å
477C68.7Low61.1Low69 Ų6989.9 Ų89.947%0.46643%0.429SS..G310 helixtrans-90-13.1-176.1157.30000113C284 S474 I475 K479C284-C477 HydrophobicContact CB-CB 4.34Å; C284-C477 WeakPolarHBondContact CB-SG 3.22Å; C284-C477 VanDerWaalsContact SG-C 3.57Å; C284-C477 WeakPolarHBondContact SG-CB 3.31Å; C284-C477 CovalentContact SG-SG 2.01Å; C284-C477 PolarHBondContact SG-SG 3.24Å; S474-C477 PolarHBondContact O-N 2.91Å; I475-C477 VanDerWaalsContact C-N 3.32Å; C477-K479 PolarHBondContact O-N 3.38Å
478E61.4Low61Low54 Ų5483 Ų8325%0.25240%0.404SS..SBendtrans-69.6105.2170.8-78.5-173.9164.900111.2C283 K396 V398 G399 W480C283-E478 HydrophobicContact CB-CG 4.21Å; K396-E478 IonicContact NZ-OE1 3.6Å; V398-E478 WeakPolarHBondContact CA-OE2 3.32Å; G399-E478 PolarHBondContact N-OE2 3.06Å; E478-W480 PolarHBondContact O-N 2.57Å; E478-W480 VanDerWaalsContact O-N 3.11Å
479K52.7Low61.2Low204 Ų20476.9 Ų76.989%0.88737%0.372SS*.  trans-63.2112.6169.1-72.1-174-178.9178.60109.4C477 K481C477-K479 PolarHBondContact O-N 3.38Å; K479-K481 PolarHBondContact O-N 3.19Å
480W50.9Low61.3Low75 Ų7571.8 Ų71.828%0.28434%0.344SS..  trans-69.9121.3-177.5-147.782.2000110.9E478 K482 T484 L487 S488 F491E478-W480 PolarHBondContact O-N 2.57Å; E478-W480 VanDerWaalsContact O-N 3.11Å; W480-K482 PolarHBondContact O-N 3.46Å; W480-T484 WeakPolarHBondContact CH2-O 3.33Å; W480-L487 HydrophobicContact CH2-CB 3.79Å; W480-L487 VanDerWaalsContact CZ2-C 3.41Å; W480-L487 HydrophobicContact CZ2-CB 3.52Å; W480-S488 VanDerWaalsContact CH2-CB 3.41Å; W480-S488 VanDerWaalsContact CZ2-N 3.33Å; W480-F491 AromaticContact NE1-CD1 3.95Å
481K48.3Very low60.8Low164 Ų16470.1 Ų70.171%0.71334%0.336SS*.  trans-72.8111.2172.9-80.2-168.9177.7-172.50108.9K479 E483K479-K481 PolarHBondContact O-N 3.19Å; K481-E483 PolarHBondContact O-N 3.09Å
482K44.7Very low60.2Low166 Ų16663.8 Ų63.872%0.72231%0.307SS*.THydrogen-bonded Turntrans-55.14.3179.5-134.3176.2-173.3177.20116.2N456 W480N456-K482 WeakPolarHBondContact ND2-CE 3.22Å; W480-K482 PolarHBondContact O-N 3.46Å
483E48Very low59Low166 Ų16659.6 Ų59.678%0.77629%0.289SS*.THydrogen-bonded Turntrans-89.8-0.5-162.2-89.3-175.9148.600115.9K481K481-E483 PolarHBondContact O-N 3.09Å
484T52.1Low57.5Low65 Ų6558.4 Ų58.440%0.39929%0.285SS..  trans-136.6100.5178.450.70000112.3W480 L486 L487 S488W480-T484 WeakPolarHBondContact CH2-O 3.33Å; T484-L486 PolarHBondContact O-N 3.29Å; T484-L486 VanDerWaalsContact O-N 3.09Å; T484-L487 PolarHBondContact O-N 2.81Å; T484-L487 VanDerWaalsContact O-N 3.1Å; T484-L487 WeakPolarHBondContact OG1-CD1 3.17Å; T484-L487 WeakPolarHBondContact OG1-CG 3.44Å; T484-S488 PolarHBondContact O-N 3.38Å; T484-S488 PolarHBondContact O-OG 3.32Å
485S56.3Low55.8Low68 Ų6858.2 Ų58.248%0.47628%0.282SS..Hα-helixtrans-54.5-34.6-173.769.50000113.7S488 I489S485-S488 VanDerWaalsContact C-OG 3.32Å; S485-S488 WeakPolarHBondContact CA-OG 3.15Å; S485-S488 PolarHBondContact O-OG 2.89Å; S485-I489 VanDerWaalsContact O-CD1 3.3Å; S485-I489 WeakPolarHBondContact O-CD1 3.32Å; S485-I489 WeakPolarHBondContact O-CG1 3.4Å; S485-I489 PolarHBondContact O-N 2.97Å
486L58.4Low54.3Low44 Ų4462.6 Ų62.623%0.2331%0.305CS..Hα-helixtrans-68.7-39.5179.7-106.3147.3000113.9V333 M447 T484 S488 I489 I490V333-L486 HydrophobicContact CB-CD2 4.42Å; V333-L486 HydrophobicContact CG1-CD2 3.84Å; V333-L486 HydrophobicContact CG2-CD1 4.06Å; V333-L486 HydrophobicContact CG2-CD2 4.27Å; M447-L486 HydrophobicContact CE-CD2 4.13Å; M447-L486 HydrophobicContact SD-CD2 3.29Å; M447-L486 WeakPolarHBondContact SD-CD2 3.45Å; T484-L486 PolarHBondContact O-N 3.29Å; T484-L486 VanDerWaalsContact O-N 3.09Å; L486-S488 VanDerWaalsContact C-N 3.34Å; L486-I489 PolarHBondContact O-N 3.27Å; L486-I490 WeakPolarHBondContact O-CG1 3.41Å; L486-I490 PolarHBondContact O-N 3.48Å
487L59.5Low52.7Low26 Ų2663.3 Ų63.314%0.13631%0.312CS..Hα-helixtrans-72.8-32.6179.8-59.1-179.9000110.8V395 L397 V419 W480 T484 I489 F491V395-L487 HydrophobicContact CG1-CD1 3.45Å; V395-L487 VanDerWaalsContact CG1-CD1 3.45Å; V395-L487 HydrophobicContact CG1-CD2 4.24Å; L397-L487 HydrophobicContact CD2-CB 3.85Å; L397-L487 HydrophobicContact CD2-CD2 3.76Å; L397-L487 HydrophobicContact CD2-CG 4.24Å; V419-L487 HydrophobicContact CB-CD2 4.03Å; V419-L487 HydrophobicContact CG1-CD2 4.26Å; V419-L487 HydrophobicContact CG2-CD2 3.72Å; W480-L487 HydrophobicContact CH2-CB 3.79Å; W480-L487 VanDerWaalsContact CZ2-C 3.41Å; W480-L487 HydrophobicContact CZ2-CB 3.52Å; T484-L487 PolarHBondContact O-N 2.81Å; T484-L487 VanDerWaalsContact O-N 3.1Å; T484-L487 WeakPolarHBondContact OG1-CD1 3.17Å; T484-L487 WeakPolarHBondContact OG1-CG 3.44Å; L487-I489 VanDerWaalsContact C-N 3.3Å; L487-I489 PolarHBondContact O-N 2.97Å; L487-F491 WeakPolarHBondContact O-CB 3.11Å; L487-F491 PolarHBondContact O-N 3.42Å
488S54.3Low51.3Low6 Ų663.3 Ų63.34%0.04232%0.324CS..Hα-helixtrans-67.7-35176.740.50000111.2V459 W480 T484 S485 L486 G492V459-S488 WeakPolarHBondContact CG2-O 3.41Å; W480-S488 VanDerWaalsContact CH2-CB 3.41Å; W480-S488 VanDerWaalsContact CZ2-N 3.33Å; T484-S488 PolarHBondContact O-N 3.38Å; T484-S488 PolarHBondContact O-OG 3.32Å; S485-S488 VanDerWaalsContact C-OG 3.32Å; S485-S488 WeakPolarHBondContact CA-OG 3.15Å; S485-S488 PolarHBondContact O-OG 2.89Å; L486-S488 VanDerWaalsContact C-N 3.34Å; S488-G492 PolarHBondContact O-N 2.93Å
489I57.1Low50.3Low1 Ų161 Ų611%0.00532%0.315CS..Hα-helixtrans-61.7-54.5177.4-70.4161.1000110Y344 M447 I449 P452 L455 S485 L486 L487 F491 G492 S493Y344-I489 HydrophobicContact CE2-CG2 3.86Å; M447-I489 HydrophobicContact SD-CG2 4.4Å; I449-I489 HydrophobicContact CB-CD1 4.41Å; I449-I489 HydrophobicContact CG1-CD1 4.33Å; I449-I489 HydrophobicContact CG2-CD1 3.73Å; P452-I489 HydrophobicContact CB-CD1 4.38Å; P452-I489 HydrophobicContact CG-CD1 4.32Å; L455-I489 HydrophobicContact CD2-CB 3.7Å; L455-I489 HydrophobicContact CD2-CG1 3.84Å; L455-I489 HydrophobicContact CD2-CG2 3.55Å; L455-I489 WeakPolarHBondContact CD2-O 3.47Å; L455-I489 HydrophobicContact CG-CG1 4.5Å; S485-I489 VanDerWaalsContact O-CD1 3.3Å; S485-I489 WeakPolarHBondContact O-CD1 3.32Å; S485-I489 WeakPolarHBondContact O-CG1 3.4Å; S485-I489 PolarHBondContact O-N 2.97Å; L486-I489 PolarHBondContact O-N 3.27Å; L487-I489 VanDerWaalsContact C-N 3.3Å; L487-I489 PolarHBondContact O-N 2.97Å; I489-F491 VanDerWaalsContact C-N 3.34Å; I489-F491 PolarHBondContact O-N 3.44Å; I489-G492 PolarHBondContact O-N 2.86Å; I489-S493 PolarHBondContact O-N 2.95Å; I489-S493 PolarHBondContact O-OG 2.82Å
490I58.5Low50.1Low0 Ų052.5 Ų52.50%028%0.279CS..Hα-helixtrans-64-43.5-177.2-62.8169000110.9I324 I326 F348 L397 V419 M447 L486 G492 I494I324-I490 HydrophobicContact CD1-CG2 4.22Å; I324-I490 HydrophobicContact CG2-CG2 4.11Å; I326-I490 HydrophobicContact CD1-CD1 3.09Å; I326-I490 HydrophobicContact CG1-CD1 4.07Å; F348-I490 HydrophobicContact CE2-CG2 3.77Å; F348-I490 HydrophobicContact CZ-CG2 3.58Å; L397-I490 HydrophobicContact CD1-CG2 4.19Å; V419-I490 HydrophobicContact CG2-CD1 4.16Å; M447-I490 HydrophobicContact CE-CD1 3.64Å; M447-I490 HydrophobicContact CE-CG1 3.63Å; M447-I490 HydrophobicContact SD-CG1 4.47Å; L486-I490 WeakPolarHBondContact O-CG1 3.41Å; L486-I490 PolarHBondContact O-N 3.48Å; I490-G492 VanDerWaalsContact C-N 3.33Å; I490-G492 PolarHBondContact O-N 2.55Å; I490-I494 HydrophobicContact CG2-CD1 4.43Å; I490-I494 WeakPolarHBondContact O-CD1 3.4Å; I490-I494 VanDerWaalsContact O-CG1 3.28Å; I490-I494 WeakPolarHBondContact O-CG1 3.47Å
491F54.8Low49.9Very low16 Ų1649.6 Ų49.67%0.0727%0.272CS..Hα-helixtrans-65.4-37.2-179.9-171-112.9000112.5L397 V398 V459 W480 L487 I489 S493 I494 L495L397-F491 HydrophobicContact CB-CD2 4.24Å; V398-F491 HydrophobicContact CB-CE2 3.61Å; V398-F491 HydrophobicContact CB-CZ 3.98Å; V398-F491 HydrophobicContact CG1-CD2 4.49Å; V398-F491 HydrophobicContact CG1-CE2 3.55Å; V398-F491 HydrophobicContact CG1-CZ 4.22Å; V398-F491 HydrophobicContact CG2-CE2 4.27Å; V398-F491 HydrophobicContact CG2-CZ 4.15Å; V459-F491 HydrophobicContact CG1-CD1 3.63Å; V459-F491 HydrophobicContact CG1-CE1 4.05Å; W480-F491 AromaticContact NE1-CD1 3.95Å; L487-F491 WeakPolarHBondContact O-CB 3.11Å; L487-F491 PolarHBondContact O-N 3.42Å; I489-F491 VanDerWaalsContact C-N 3.34Å; I489-F491 PolarHBondContact O-N 3.44Å; F491-S493 PolarHBondContact O-N 2.74Å; F491-I494 HydrophobicContact CD2-CD1 4.26Å; F491-I494 WeakPolarHBondContact O-CB 3.44Å; F491-I494 PolarHBondContact O-N 3.04Å; F491-I494 VanDerWaalsContact O-N 3.17Å; F491-L495 HydrophobicContact CD1-CD1 4Å; F491-L495 HydrophobicContact CE1-CD1 3.32Å; F491-L495 HydrophobicContact CE1-CG 4.13Å; F491-L495 HydrophobicContact CE2-CD1 4.5Å; F491-L495 HydrophobicContact CZ-CD1 3.62Å; F491-L495 HydrophobicContact CZ-CD2 4.44Å; F491-L495 HydrophobicContact CZ-CG 4.05Å; F491-L495 PolarHBondContact O-N 2.65Å
492G52.6Low49.7Very low0 Ų044.3 Ų44.30%025%0.251CS..Hα-helixtrans-60.4-44.2177.300000115S488 I489 I490 I494 L495 L496S488-G492 PolarHBondContact O-N 2.93Å; I489-G492 PolarHBondContact O-N 2.86Å; I490-G492 VanDerWaalsContact C-N 3.33Å; I490-G492 PolarHBondContact O-N 2.55Å; G492-I494 PolarHBondContact O-N 3.04Å; G492-L495 PolarHBondContact O-N 2.67Å; G492-L496 PolarHBondContact O-N 2.95Å
493S51.6Low49.8Very low15 Ų1539.3 Ų39.311%0.10524%0.237CC..Hα-helixtrans-67.9-19.3178.4-52.20000113Y344 I489 F491Y344-S493 VanDerWaalsContact CD2-OG 3.25Å; Y344-S493 WeakPolarHBondContact CD2-OG 3.42Å; I489-S493 PolarHBondContact O-N 2.95Å; I489-S493 PolarHBondContact O-OG 2.82Å; F491-S493 PolarHBondContact O-N 2.74Å
494I50.2Low50.1Low7 Ų731.4 Ų31.44%0.03620%0.2CC..Hα-helixtrans-78.2-45.4175.3-58.3159.2000110.4F348 L397 M417 I490 F491 G492 L496 I497 I500F348-I494 HydrophobicContact CD2-CD1 4.04Å; F348-I494 HydrophobicContact CD2-CG1 3.88Å; F348-I494 HydrophobicContact CE1-CD1 4.05Å; F348-I494 HydrophobicContact CE2-CD1 3.15Å; F348-I494 HydrophobicContact CE2-CG1 3.3Å; F348-I494 HydrophobicContact CZ-CD1 3.14Å; F348-I494 HydrophobicContact CZ-CG1 3.89Å; L397-I494 HydrophobicContact CD1-CD1 4.23Å; M417-I494 HydrophobicContact CE-CD1 3.63Å; M417-I494 HydrophobicContact CE-CG1 4.24Å; M417-I494 HydrophobicContact CE-CG2 3.76Å; M417-I494 HydrophobicContact SD-CD1 4.19Å; M417-I494 HydrophobicContact SD-CG2 4.03Å; I490-I494 HydrophobicContact CG2-CD1 4.43Å; I490-I494 WeakPolarHBondContact O-CD1 3.4Å; I490-I494 VanDerWaalsContact O-CG1 3.28Å; I490-I494 WeakPolarHBondContact O-CG1 3.47Å; F491-I494 HydrophobicContact CD2-CD1 4.26Å; F491-I494 WeakPolarHBondContact O-CB 3.44Å; F491-I494 PolarHBondContact O-N 3.04Å; F491-I494 VanDerWaalsContact O-N 3.17Å; G492-I494 PolarHBondContact O-N 3.04Å; I494-L496 VanDerWaalsContact C-N 3.33Å; I494-L496 PolarHBondContact O-N 2.83Å; I494-I497 PolarHBondContact O-N 2.89Å; I494-I497 VanDerWaalsContact O-N 3.15Å; I494-I500 HydrophobicContact CG2-CD1 3.44Å; I494-I500 VanDerWaalsContact CG2-CD1 3.44Å; I494-I500 HydrophobicContact CG2-CG1 3.7Å
495L46.7Very low50Low9 Ų928.4 Ų28.45%0.04718%0.182CC..Hα-helixtrans-72.3-25.3-174.8-75.4177.4000113.8V459 L462 T463 K466 F491 G492 I497V459-L495 HydrophobicContact CG1-CD1 3.95Å; L462-L495 HydrophobicContact CB-CB 4.35Å; T463-L495 WeakPolarHBondContact OG1-CD1 3.32Å; K466-L495 PolarHBondContact NZ-O 3.02Å; F491-L495 HydrophobicContact CD1-CD1 4Å; F491-L495 HydrophobicContact CE1-CD1 3.32Å; F491-L495 HydrophobicContact CE1-CG 4.13Å; F491-L495 HydrophobicContact CE2-CD1 4.5Å; F491-L495 HydrophobicContact CZ-CD1 3.62Å; F491-L495 HydrophobicContact CZ-CD2 4.44Å; F491-L495 HydrophobicContact CZ-CG 4.05Å; F491-L495 PolarHBondContact O-N 2.65Å; G492-L495 PolarHBondContact O-N 2.67Å; L495-I497 PolarHBondContact O-N 3.34Å
496L42.6Very low49.7Very low105 Ų10527.6 Ų27.655%0.5517%0.172SC..THydrogen-bonded Turntrans-58.9-27.6170.1-84.9168.7000112.3L462 G492 I494L462-L496 HydrophobicContact CD1-CB 4.08Å; L462-L496 HydrophobicContact CD1-CD1 4.46Å; L462-L496 HydrophobicContact CD1-CD2 3.29Å; L462-L496 HydrophobicContact CD1-CG 3.28Å; L462-L496 HydrophobicContact CD2-CD2 4.01Å; L462-L496 HydrophobicContact CG-CD2 4.17Å; G492-L496 PolarHBondContact O-N 2.95Å; I494-L496 VanDerWaalsContact C-N 3.33Å; I494-L496 PolarHBondContact O-N 2.83Å
497I37.4Very low49.4Very low69 Ų6926.6 Ų26.635%0.35417%0.171SC..  trans-90.9110.8176-46.4174.6000106I494 L495 G499I494-I497 PolarHBondContact O-N 2.89Å; I494-I497 VanDerWaalsContact O-N 3.15Å; L495-I497 PolarHBondContact O-N 3.34Å; I497-G499 PolarHBondContact O-N 2.73Å
498G38.7Very low49.1Very low70 Ų7025.8 Ų25.872%0.72217%0.167SC*.THydrogen-bonded Turntrans-59.419.3159.500000113.8
499G41.1Very low48.8Very low6 Ų627.1 Ų27.16%0.06218%0.178CC..THydrogen-bonded Turntrans-112.36.7-165.700000114.2I497 G501 L502 S503I497-G499 PolarHBondContact O-N 2.73Å; G499-G501 VanDerWaalsContact C-N 3.26Å; G499-G501 PolarHBondContact O-N 3.14Å; G499-L502 WeakPolarHBondContact O-CB 3.42Å; G499-L502 PolarHBondContact O-N 3.21Å; G499-L502 VanDerWaalsContact O-N 3.13Å; G499-S503 WeakPolarHBondContact O-CB 2.92Å; G499-S503 PolarHBondContact O-N 3.19Å; G499-S503 PolarHBondContact O-OG 3.11Å
500I48Very low48.1Very low25 Ų2531.6 Ų31.613%0.12820%0.202CC..Hα-helixtrans-60.4-43.7167.6-47.5177.8000109.4L402 L415 M417 I494 L502 S503 I504L402-I500 HydrophobicContact CD1-CB 3.86Å; L402-I500 HydrophobicContact CD1-CG2 3.37Å; L415-I500 HydrophobicContact CD2-CG2 3.51Å; M417-I500 HydrophobicContact SD-CD1 4.38Å; I494-I500 HydrophobicContact CG2-CD1 3.44Å; I494-I500 VanDerWaalsContact CG2-CD1 3.44Å; I494-I500 HydrophobicContact CG2-CG1 3.7Å; I500-L502 PolarHBondContact O-N 3.42Å; I500-S503 PolarHBondContact O-N 3.28Å; I500-I504 HydrophobicContact CG2-CD1 3.96Å; I500-I504 WeakPolarHBondContact O-CB 3.22Å; I500-I504 WeakPolarHBondContact O-CD1 3.26Å; I500-I504 WeakPolarHBondContact O-CG1 3.28Å; I500-I504 PolarHBondContact O-N 3.1Å
501G46.3Very low47.3Very low14 Ų1433.5 Ų33.514%0.14422%0.221CC..Hα-helixtrans-60.2-31.7174.100000113.4G499 A505G499-G501 VanDerWaalsContact C-N 3.26Å; G499-G501 PolarHBondContact O-N 3.14Å; G501-A505 PolarHBondContact O-N 3.06Å; G501-A505 VanDerWaalsContact O-N 3.09Å
502L45Very low46.6Very low53 Ų5335.6 Ų35.628%0.27724%0.238SC..Hα-helixtrans-78.3-44.5178.7-166.263000112.7S214 G499 I500 I504 A505 L506S214-L502 VanDerWaalsContact OG-CD1 3.3Å; S214-L502 WeakPolarHBondContact OG-CD1 3.06Å; S214-L502 VanDerWaalsContact OG-CD2 3.23Å; S214-L502 WeakPolarHBondContact OG-CD2 3.49Å; G499-L502 WeakPolarHBondContact O-CB 3.42Å; G499-L502 PolarHBondContact O-N 3.21Å; G499-L502 VanDerWaalsContact O-N 3.13Å; I500-L502 PolarHBondContact O-N 3.42Å; L502-I504 PolarHBondContact O-N 2.01Å; L502-A505 WeakPolarHBondContact O-CB 3.48Å; L502-A505 PolarHBondContact O-N 3.37Å; L502-A505 VanDerWaalsContact O-N 3.17Å; L502-L506 WeakPolarHBondContact O-CB 3.08Å; L502-L506 WeakPolarHBondContact O-CG 3.18Å; L502-L506 PolarHBondContact O-N 3.17Å
503S47.5Very low45.8Very low60 Ų6037.4 Ų37.442%0.4225%0.253SS..Hα-helixtrans-61.8-32.8173-60.90000111.6G499 I500 A507G499-S503 WeakPolarHBondContact O-CB 2.92Å; G499-S503 PolarHBondContact O-N 3.19Å; G499-S503 PolarHBondContact O-OG 3.11Å; I500-S503 PolarHBondContact O-N 3.28Å; S503-A507 VanDerWaalsContact O-CB 3.26Å; S503-A507 WeakPolarHBondContact O-CB 2.84Å; S503-A507 PolarHBondContact O-N 3.33Å
504I53.5Low45.2Very low0 Ų041.8 Ų41.80%027%0.267CS..Hα-helixtrans-67.7-48171.9-77.2168.2000111.1M320 T350 L402 L406 V413 L415 I500 L502 L506 A507 V508M320-I504 HydrophobicContact CE-CG2 3.74Å; M320-I504 HydrophobicContact SD-CB 4.15Å; M320-I504 HydrophobicContact SD-CD1 4.42Å; M320-I504 HydrophobicContact SD-CG1 3.79Å; M320-I504 HydrophobicContact SD-CG2 3.63Å; T350-I504 HydrophobicContact CG2-CG1 4.41Å; L402-I504 HydrophobicContact CD1-CD1 3.55Å; L402-I504 HydrophobicContact CD2-CD1 3.9Å; L402-I504 HydrophobicContact CG-CD1 4.01Å; L406-I504 HydrophobicContact CD1-CG2 3.9Å; V413-I504 HydrophobicContact CB-CG2 4.49Å; V413-I504 HydrophobicContact CG1-CD1 3.95Å; V413-I504 HydrophobicContact CG1-CG2 4.1Å; V413-I504 HydrophobicContact CG2-CG2 4.01Å; L415-I504 HydrophobicContact CD2-CD1 4.45Å; I500-I504 HydrophobicContact CG2-CD1 3.96Å; I500-I504 WeakPolarHBondContact O-CB 3.22Å; I500-I504 WeakPolarHBondContact O-CD1 3.26Å; I500-I504 WeakPolarHBondContact O-CG1 3.28Å; I500-I504 PolarHBondContact O-N 3.1Å; L502-I504 PolarHBondContact O-N 2.01Å; I504-L506 VanDerWaalsContact C-N 3.3Å; I504-L506 PolarHBondContact O-N 2.85Å; I504-A507 PolarHBondContact O-N 3.15Å; I504-A507 VanDerWaalsContact O-N 3.12Å; I504-V508 WeakPolarHBondContact O-CG2 3.5Å; I504-V508 PolarHBondContact O-N 3.38Å
505A50Low44.2Very low3 Ų349.1 Ų49.13%0.02530%0.303CS..Hα-helixtrans-58.8-44175.900000111.6I405 L406 G501 L502 V508 A509I405-A505 HydrophobicContact CD1-CB 3.56Å; I405-A505 HydrophobicContact CG1-CB 3.72Å; L406-A505 HydrophobicContact CD2-CB 4.34Å; L406-A505 HydrophobicContact CG-CB 4.44Å; G501-A505 PolarHBondContact O-N 3.06Å; G501-A505 VanDerWaalsContact O-N 3.09Å; L502-A505 WeakPolarHBondContact O-CB 3.48Å; L502-A505 PolarHBondContact O-N 3.37Å; L502-A505 VanDerWaalsContact O-N 3.17Å; A505-V508 PolarHBondContact O-N 3.13Å; A505-A509 VanDerWaalsContact O-CB 3.25Å; A505-A509 WeakPolarHBondContact O-CB 3.25Å; A505-A509 PolarHBondContact O-N 3.21Å
506L49.6Very low43.6Very low50 Ų5052.5 Ų52.526%0.26232%0.324SS..Hα-helixtrans-65.1-38.8172.9-72.5169.4000112I217 L502 I504 V508 A509 L510I217-L506 HydrophobicContact CD1-CD2 4.47Å; L502-L506 WeakPolarHBondContact O-CB 3.08Å; L502-L506 WeakPolarHBondContact O-CG 3.18Å; L502-L506 PolarHBondContact O-N 3.17Å; I504-L506 VanDerWaalsContact C-N 3.3Å; I504-L506 PolarHBondContact O-N 2.85Å; L506-V508 VanDerWaalsContact C-N 3.32Å; L506-V508 PolarHBondContact O-N 3.11Å; L506-A509 CarbonylContact O-C 3.59Å; L506-A509 PolarHBondContact O-N 3.06Å; L506-L510 HydrophobicContact CB-CD1 4.38Å; L506-L510 WeakPolarHBondContact O-CA 3.45Å; L506-L510 WeakPolarHBondContact O-CB 2.93Å; L506-L510 WeakPolarHBondContact O-CG 3.43Å; L506-L510 PolarHBondContact O-N 3.36Å
507A53.5Low43.2Very low24 Ų2449.4 Ų49.420%0.19832%0.317CS..Hα-helixtrans-65.5-35.6177.100000112.4S503 I504 G511S503-A507 VanDerWaalsContact O-CB 3.26Å; S503-A507 WeakPolarHBondContact O-CB 2.84Å; S503-A507 PolarHBondContact O-N 3.33Å; I504-A507 PolarHBondContact O-N 3.15Å; I504-A507 VanDerWaalsContact O-N 3.12Å; A507-G511 PolarHBondContact O-N 3.02Å
508V53.2Low43.1Very low9 Ų949.5 Ų49.56%0.05533%0.328CS..Hα-helixtrans-72.2-44.1174.1172.40000111F253 M320 L406 I504 A505 L506 G511 S512F253-V508 HydrophobicContact CE2-CG1 3.95Å; F253-V508 HydrophobicContact CZ-CB 4.42Å; F253-V508 HydrophobicContact CZ-CG1 3.85Å; F253-V508 HydrophobicContact CZ-CG2 4.19Å; M320-V508 HydrophobicContact CE-CG2 3.46Å; M320-V508 VanDerWaalsContact CE-CG2 3.46Å; L406-V508 HydrophobicContact CD1-CB 3.78Å; L406-V508 HydrophobicContact CD1-CG1 4.13Å; L406-V508 HydrophobicContact CD1-CG2 3.48Å; L406-V508 VanDerWaalsContact CD1-CG2 3.48Å; I504-V508 WeakPolarHBondContact O-CG2 3.5Å; I504-V508 PolarHBondContact O-N 3.38Å; A505-V508 PolarHBondContact O-N 3.13Å; L506-V508 VanDerWaalsContact C-N 3.32Å; L506-V508 PolarHBondContact O-N 3.11Å; V508-G511 PolarHBondContact O-N 2.81Å; V508-S512 PolarHBondContact O-N 3.24Å
509A46.9Very low42.8Very low34 Ų3453.7 Ų53.728%0.28133%0.327SS..Hα-helixtrans-71.5-25.1176.400000113.7I217 A505 L506 S512I217-A509 HydrophobicContact CD1-CB 4.34Å; A505-A509 VanDerWaalsContact O-CB 3.25Å; A505-A509 WeakPolarHBondContact O-CB 3.25Å; A505-A509 PolarHBondContact O-N 3.21Å; L506-A509 CarbonylContact O-C 3.59Å; L506-A509 PolarHBondContact O-N 3.06Å; A509-S512 PolarHBondContact O-OG 2.89Å
510L42.2Very low42.7Very low95 Ų9558.3 Ų58.350%0.49735%0.349SS..Hα-helixtrans-88.4-24.5174.1-68.8171000111L506 S512 A513 W514L506-L510 HydrophobicContact CB-CD1 4.38Å; L506-L510 WeakPolarHBondContact O-CA 3.45Å; L506-L510 WeakPolarHBondContact O-CB 2.93Å; L506-L510 WeakPolarHBondContact O-CG 3.43Å; L506-L510 PolarHBondContact O-N 3.36Å; L510-S512 PolarHBondContact O-N 3.24Å; L510-A513 HydrophobicContact CD2-CB 3.98Å; L510-A513 WeakPolarHBondContact O-CA 3.44Å; L510-A513 PolarHBondContact O-N 3.5Å; L510-W514 PolarHBondContact O-NE1 3.19Å
511G42.1Very low42.1Very low39 Ų3959.8 Ų59.840%0.40237%0.371SS..Hα-helixtrans-52.8-31.5163.700000112.3A507 V508A507-G511 PolarHBondContact O-N 3.02Å; V508-G511 PolarHBondContact O-N 2.81Å
512S40.9Very low41.6Very low61 Ų6165.9 Ų65.943%0.42740%0.399SS..SBendtrans-85.7-15171.668.30000114.7V508 A509 L510V508-S512 PolarHBondContact O-N 3.24Å; A509-S512 PolarHBondContact O-OG 2.89Å; L510-S512 PolarHBondContact O-N 3.24Å
513A34.8Very low41.1Very low38 Ų3867.4 Ų67.431%0.31441%0.414SS..  trans-90.78.6-179.100000115L510 M515 V516L510-A513 HydrophobicContact CD2-CB 3.98Å; L510-A513 WeakPolarHBondContact O-CA 3.44Å; L510-A513 PolarHBondContact O-N 3.5Å; A513-M515 PolarHBondContact O-N 2.84Å; A513-V516 PolarHBondContact O-N 3.33Å
514W38.3Very low40.6Very low106 Ų10671.5 Ų71.540%0.40243%0.43SS..THydrogen-bonded Turntrans-75.535.4-177.7-84.794.8000116.2L364 L510L364-W514 HydrophobicContact CD1-CD2 4.27Å; L364-W514 HydrophobicContact CD1-CE3 4Å; L364-W514 HydrophobicContact CD1-CH2 3.89Å; L364-W514 HydrophobicContact CD1-CZ2 4.21Å; L364-W514 HydrophobicContact CD1-CZ3 3.76Å; L364-W514 HydrophobicContact CD2-CD2 4.02Å; L364-W514 HydrophobicContact CD2-CE3 4.37Å; L364-W514 HydrophobicContact CD2-CH2 3.38Å; L364-W514 HydrophobicContact CD2-CZ2 2.95Å; L364-W514 HydrophobicContact CD2-CZ3 4.07Å; L364-W514 HydrophobicContact CG-CH2 4.21Å; L364-W514 HydrophobicContact CG-CZ2 4.14Å; L510-W514 PolarHBondContact O-NE1 3.19Å
515M30.4Very low39.6Very low161 Ų16174.6 Ų74.679%0.79346%0.462SS*.THydrogen-bonded Turntrans-113.7-4.7157.5-70.9-68.8-71.200113A513A513-M515 PolarHBondContact O-N 2.84Å
516V34.1Very low38.8Very low81 Ų8177.8 Ų77.849%0.49149%0.489SS..THydrogen-bonded Turntrans-113.6-32.8-171.9-173.10000113.6A513 A518 F519A513-V516 PolarHBondContact O-N 3.33Å; V516-A518 VanDerWaalsContact C-N 3.3Å; V516-A518 PolarHBondContact O-N 2.7Å; V516-F519 PolarHBondContact O-N 3.07Å
517G34.7Very low38Very low40 Ų4083.2 Ų83.241%0.41252%0.518SS..Hα-helixtrans-68.1-23179.300000115.3F519G517-F519 VanDerWaalsContact C-N 3.27Å; G517-F519 PolarHBondContact O-N 3.06Å
518A34.4Very low37Very low71 Ų7184.9 Ų84.959%0.58754%0.537SS*.Hα-helixtrans-76.8-11.817700000113.5V516V516-A518 VanDerWaalsContact C-N 3.3Å; V516-A518 PolarHBondContact O-N 2.7Å
519F31.4Very low35.9Very low157 Ų15792.3 Ų92.369%0.68958%0.576SS**Hα-helixtrans-93.3-30.7178.5-136.3-101.1000112.3V516 G517 L522 C523V516-F519 PolarHBondContact O-N 3.07Å; G517-F519 VanDerWaalsContact C-N 3.27Å; G517-F519 PolarHBondContact O-N 3.06Å; F519-L522 PolarHBondContact O-N 3.2Å; F519-C523 PolarHBondContact O-SG 3.22Å
520I39.8Very low35.1Very low103 Ų10398.6 Ų98.653%0.52860%0.604SS.*Hα-helixtrans-77-32.2-178.1-59.3174.9000111.8L522 C523 L524I520-L522 VanDerWaalsContact C-N 3.29Å; I520-L522 PolarHBondContact O-N 3.08Å; I520-C523 PolarHBondContact O-N 3.41Å; I520-L524 PolarHBondContact O-N 2.97Å
521G35.8Very low34.6Very low57 Ų5799 Ų9959%0.58862%0.621SS**Hα-helixtrans-69-23.2173.300000114.3
522L35.6Very low34.2Very low141 Ų141104.9 Ų104.974%0.73864%0.641SS**Hα-helixtrans-82.1-18.8175.4-130.696.4000112.6F519 I520F519-L522 PolarHBondContact O-N 3.2Å; I520-L522 VanDerWaalsContact C-N 3.29Å; I520-L522 PolarHBondContact O-N 3.08Å
523C34Very low33.6Very low86 Ų86104.9 Ų104.958%0.58165%0.65SS**Hα-helixtrans-92.9-15.6-178-69.20000114.2F519 I520F519-C523 PolarHBondContact O-SG 3.22Å; I520-C523 PolarHBondContact O-N 3.41Å
524L36.5Very low33.4Very low145 Ų145113.7 Ų113.776%0.75968%0.682SS**Hα-helixtrans-103.8-11.4177.3-66.5172000114I520I520-L524 PolarHBondContact O-N 2.97Å
525G34.1Very low33.2Very low66 Ų66112.1 Ų112.168%0.6870%0.699SS**SBendtrans-86.6-3.2171.900000115.1
526A32.7Very low33.2Very low70 Ų70112.3 Ų112.358%0.57970%0.701SS**  trans-103.961.7-179.500000111.7
527N33Very low33Very low164 Ų164119.5 Ų119.588%0.87772%0.721SS**SBendtrans-134.520.1161.7-89-35.2000112.3
528G32.8Very low32.9Very low58 Ų58123.9 Ų123.960%0.59874%0.735SS**SBendtrans-144.859.9177.500000111.1
529L30.4Very low32.8Very low166 Ų166131 Ų13187%0.86975%0.747SS**SBendtrans172.9131.9155.4-93.6150.5000107.7
530L29.4Very low33Very low166 Ų166133 Ų13387%0.86976%0.756SS**  trans89.647.2-177.9-53.9166.7000116.7
531A31.8Very low32.7Very low103 Ų103133.1 Ų133.185%0.85177%0.766SS**  trans-109.355137.600000109.5
532I32.5Very low32.6Very low163 Ų163143.1 Ų143.184%0.83679%0.793SS**  trans-136.879.3153.6-56.7179.3000105.1
533G28.6Very low32.4Very low60 Ų60143.3 Ų143.362%0.61980%0.796SS**  trans-122.4136164.600000107
534F31.8Very low32.3Very low223 Ų223146.3 Ų146.398%0.97881%0.807SS**SBendtrans81107.5178.2-69.6-93.2000116.2
535G32.5Very low32.1Very low73 Ų73146.3 Ų146.375%0.75381%0.81SS**  trans156.1-4.1154.500000119.1
536I32.1Very low32Very low165 Ų165151.1 Ų151.185%0.84682%0.818SS**  trans-107.567.9166.1-51-178.1000108.1D538I536-D538 PolarHBondContact O-N 3.19Å; I536-D538 VanDerWaalsContact O-N 3.13Å
537Y29.6Very low31.9Very low232 Ų232156.1 Ų156.191%0.9183%0.832SS**  trans-72.273.5160.4-176.5-91.6000107.4
538D32.8Very low31.9Very low133 Ų133155.6 Ų155.671%0.71183%0.83SS**  trans-166.386.7167.4-165.942.5000109.8I536I536-D538 PolarHBondContact O-N 3.19Å; I536-D538 VanDerWaalsContact O-N 3.13Å
539R32.7Very low31.8Very low219 Ų219162.6 Ų162.683%0.82685%0.846SS**SBendtrans-174.14.7149.8-115.2175.1-172.1-1751.5120.1
540F33.8Very low31.9Very low200 Ų200162.3 Ų162.388%0.87784%0.844SS**  trans-140.398.2164.3-67.9-83.5000105.2
541S34Very low32.1Very low105 Ų105162 Ų16273%0.73484%0.842SS**  cis41.389.436.7-1790000113
542K33.2Very low32.1Very low268 Ų268167.4 Ų167.4100%1.16584%0.841SS**  trans93.60177.8-62.5-174.8178.2179.90115.9

Retrieved 542 of 542 residues in 353.7 ms (Link to these results)

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