A0A3Q0KS96_SCHMA Loading...

C2 domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KS96, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 951 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
1M35Very low65.8Low245 Ų245105.6 Ų105.6100%1.20755%0.551SS**  0142.10-72.9177163.500108.8
2L35.5Very low68.1Low175 Ų17596.8 Ų96.892%0.91651%0.505SS*.PPolyproline II helixtrans-77.1141.2170.5-69165.7000108.9
3A40.6Very low70.2Confident81 Ų8189.4 Ų89.467%0.66947%0.466SS*.PPolyproline II helixtrans-68.6138.8170.300000109.3
4P49.2Very low72Confident112 Ų11283 Ų8373%0.72743%0.433SS*.PPolyproline II helixtrans-62.2145.617527.3-34.4000110.2I6P4-I6 PolarHBondContact O-N 3.17Å
5N57.8Low73.6Confident113 Ų11381.4 Ų81.460%0.60442%0.419SS*.PPolyproline II helixtrans-55.6116.1176.9-85.4-0.5000109.8R7 E148N5-R7 VanDerWaalsContact C-N 3.28Å; N5-R7 PolarHBondContact O-N 3.12Å; N5-E148 PolarHBondContact ND2-OE1 3Å; N5-E148 PolarHBondContact ND2-OE2 3.14Å
6I67.9Low75Confident115 Ų11576.3 Ų76.359%0.5939%0.393SS*.  trans-74.884.8-177.2-55.9178.7000108.4P4 H8 V99P4-I6 PolarHBondContact O-N 3.17Å; I6-H8 PolarHBondContact O-N 3.07Å; I6-V99 HydrophobicContact CG2-CB 4.27Å; I6-V99 HydrophobicContact CG2-CG1 3.57Å
7R78Confident76.3Confident150 Ų15076.8 Ų76.857%0.56639%0.389SS*.PPolyproline II helixtrans-69.5121.3176.5-67.6-174.5172.9175.41.1109.5N5 Y145 E148N5-R7 VanDerWaalsContact C-N 3.28Å; N5-R7 PolarHBondContact O-N 3.12Å; R7-Y145 HydrophobicContact CB-CD1 3.54Å; R7-Y145 HydrophobicContact CB-CE1 4.01Å; R7-Y145 HydrophobicContact CB-CG 4.14Å; R7-E148 IonicContact CZ-OE1 2.69Å; R7-E148 IonicContact NE-OE1 2.63Å; R7-E148 PolarHBondContact NE-OE1 3.48Å; R7-E148 IonicContact NH2-OE1 3.14Å
8H85.7Confident77.4Confident50 Ų5075.6 Ų75.623%0.23138%0.381CS..PPolyproline II helixtrans-88.5132.5176.4-65-67.9000110.1I6 R75 R146I6-H8 PolarHBondContact O-N 3.07Å; H8-R75 HydrophobicContact CB-CB 4.37Å; H8-R75 HydrophobicContact CB-CG 4Å; H8-R146 WeakPolarHBondContact O-CB 3.32Å; H8-R146 PolarHBondContact O-N 2.88Å
9P90.8Very high78.5Confident4 Ų471.6 Ų71.63%0.02636%0.361CS..EExtended strand (participates in β ladder)trans-60146.6173.725-34.5000111.3V12 I72 G98 V142 R146P9-V12 HydrophobicContact CB-CG2 3.67Å; P9-V12 HydrophobicContact CG-CG2 4.29Å; P9-I72 HydrophobicContact CB-CD1 4.29Å; P9-I72 HydrophobicContact CG-CD1 3.95Å; P9-G98 WeakPolarHBondContact CD-O 3.48Å; P9-G98 WeakPolarHBondContact CG-O 3.44Å; P9-V142 HydrophobicContact CB-CB 4.49Å; P9-V142 HydrophobicContact CB-CG1 3.79Å; P9-V142 HydrophobicContact CB-CG2 3.92Å; P9-R146 PolarHBondContact O-NH1 2.92Å
10K90.6Very high79.3Confident77 Ų7770.5 Ų70.534%0.33535%0.354SS..EExtended strand (participates in β ladder)trans-102.9-44.8167.4-179.1169158.7-135.90109.6K71 I72 E144 R146K10-K71 CarbonylContact O-C 3.59Å; K10-K71 VanDerWaalsContact O-CA 3.26Å; K10-K71 WeakPolarHBondContact O-CA 3.41Å; K10-I72 PolarHBondContact O-N 3.21Å; K10-E144 WeakPolarHBondContact CA-O 3.25Å; K10-E144 HydrophobicContact CB-CB 4.38Å; K10-E144 WeakPolarHBondContact CB-O 3.48Å; K10-E144 WeakPolarHBondContact CD-OE1 3.39Å; K10-E144 VanDerWaalsContact CD-OE2 3.23Å; K10-E144 WeakPolarHBondContact CD-OE2 3.25Å; K10-E144 WeakPolarHBondContact CE-OE2 3.33Å; K10-E144 PolarHBondContact N-O 2.63Å; K10-E144 IonicContact NZ-OE1 3.7Å; K10-E144 PolarHBondContact NZ-OE1 2.63Å; K10-E144 IonicContact NZ-OE2 2.97Å; K10-E144 PolarHBondContact NZ-OE2 3.36Å; K10-R146 HydrophobicContact CB-CG 3.7Å; K10-R146 HydrophobicContact CG-CG 4.35Å
11E92.5Very high79.8Confident40 Ų4071 Ų7119%0.18736%0.358CS..EExtended strand (participates in β ladder)trans-133.5137.3-179.5-172.1132.4-122.300110.8T69 F70 K71 E143 E144E11-T69 HydrophobicContact CG-CG2 3.52Å; E11-F70 WeakPolarHBondContact CA-O 3.39Å; E11-K71 HydrophobicContact CB-CG 4.35Å; E11-K71 VanDerWaalsContact CD-CG 3.49Å; E11-K71 HydrophobicContact CG-CG 4.29Å; E11-K71 WeakPolarHBondContact OE1-CE 3.21Å; E11-K71 WeakPolarHBondContact OE1-CG 3.43Å; E11-K71 WeakPolarHBondContact OE2-CE 3.4Å; E11-K71 IonicContact OE2-NZ 2.74Å; E11-E143 HydrophobicContact CB-CB 4.28Å; E11-E143 HydrophobicContact CG-CB 4.16Å; E11-E143 PolarHBondContact O-N 3.11Å; E11-E144 HydrophobicContact CB-CB 4.02Å; E11-E144 PolarHBondContact N-O 3.41Å; E11-E144 VanDerWaalsContact N-O 3.07Å; E11-E144 PolarHBondContact O-N 3.33Å
12V94.1Very high82.5Confident0 Ų059.4 Ų59.40%030%0.301CS..EExtended strand (participates in β ladder)trans-136138.5-174.1169.80000109.6P9 V14 T69 F70 I72 V79 I101 I140 W141 V142P9-V12 HydrophobicContact CB-CG2 3.67Å; P9-V12 HydrophobicContact CG-CG2 4.29Å; V12-V14 HydrophobicContact CG1-CG2 4.24Å; V12-T69 WeakPolarHBondContact O-CA 3.35Å; V12-F70 HydrophobicContact CG1-CZ 4.46Å; V12-F70 PolarHBondContact N-O 3.03Å; V12-F70 PolarHBondContact O-N 3.06Å; V12-I72 HydrophobicContact CB-CD1 4.2Å; V12-I72 HydrophobicContact CG2-CD1 3.55Å; V12-I72 HydrophobicContact CG2-CG1 4.36Å; V12-V79 HydrophobicContact CG1-CG2 4.44Å; V12-I101 HydrophobicContact CG1-CD1 4.14Å; V12-I101 HydrophobicContact CG1-CG2 4.44Å; V12-I101 HydrophobicContact CG2-CD1 4.01Å; V12-I140 HydrophobicContact CG1-CD1 3.98Å; V12-I140 HydrophobicContact CG1-CG1 3.66Å; V12-W141 WeakPolarHBondContact CA-O 3.44Å; V12-W141 WeakPolarHBondContact CG1-O 3.44Å; V12-V142 HydrophobicContact CG2-CG2 4.42Å
13T94.9Very high85Confident0 Ų055.6 Ų55.60%027%0.274CS..EExtended strand (participates in β ladder)trans-102.6136.6169.1-56.90000109.8E67 T68 T69 I140 W141 E143T13-E67 HydrophobicContact CG2-CG 3.81Å; T13-T68 WeakPolarHBondContact CA-O 3.48Å; T13-T69 WeakPolarHBondContact OG1-CG2 3.42Å; T13-T69 PolarHBondContact OG1-OG1 3.24Å; T13-I140 WeakPolarHBondContact O-CA 3.3Å; T13-W141 HydrophobicContact CG2-CH2 3.87Å; T13-W141 HydrophobicContact CG2-CZ2 3.41Å; T13-W141 VanDerWaalsContact CG2-CZ2 3.41Å; T13-W141 PolarHBondContact N-O 3.24Å; T13-W141 PolarHBondContact O-N 3.27Å; T13-E143 WeakPolarHBondContact OG1-CG 3.47Å; T13-E143 PolarHBondContact OG1-OE1 2.96Å
14V95.6Very high87Confident0 Ų053.5 Ų53.50%025%0.253CS..EExtended strand (participates in β ladder)trans-124.9129.4175.1176.80000108.4V12 V16 I43 E67 T68 F70 V79 L81 W139 I140V12-V14 HydrophobicContact CG1-CG2 4.24Å; V14-V16 HydrophobicContact CG1-CG2 3.91Å; V14-I43 HydrophobicContact CB-CD1 4.34Å; V14-I43 HydrophobicContact CG1-CD1 4.07Å; V14-I43 HydrophobicContact CG2-CG2 4.44Å; V14-E67 WeakPolarHBondContact O-CA 2.77Å; V14-T68 PolarHBondContact N-O 3.42Å; V14-T68 PolarHBondContact O-N 2.86Å; V14-F70 HydrophobicContact CB-CE1 4.36Å; V14-F70 HydrophobicContact CG2-CE1 3.68Å; V14-F70 HydrophobicContact CG2-CZ 4.01Å; V14-V79 HydrophobicContact CG2-CG1 4.11Å; V14-L81 HydrophobicContact CG1-CD2 3.89Å; V14-W139 WeakPolarHBondContact CA-O 3.2Å; V14-I140 HydrophobicContact CG2-CD1 3.79Å; V14-I140 HydrophobicContact CG2-CG1 3.8Å
15R95.9Very high88.2Confident59 Ų5949.3 Ų49.322%0.22323%0.228CC..EExtended strand (participates in β ladder)trans-114.1107.4168.2-170.5-175.7-169.3124.7-10.9110.2N65 F66 E67 T113 F138 W139R15-N65 PolarHBondContact NE-OD1 3.32Å; R15-N65 PolarHBondContact NH2-OD1 2.98Å; R15-F66 CarbonylContact C-O 3.54Å; R15-F66 WeakPolarHBondContact CA-O 3.38Å; R15-E67 HydrophobicContact CB-CB 4.27Å; R15-E67 HydrophobicContact CB-CG 3.98Å; R15-E67 WeakPolarHBondContact CD-OE2 3.21Å; R15-E67 HydrophobicContact CG-CB 4.06Å; R15-E67 HydrophobicContact CG-CG 4.25Å; R15-E67 IonicContact CZ-OE2 3.01Å; R15-E67 IonicContact NE-OE2 3.59Å; R15-E67 IonicContact NH1-OE2 2.62Å; R15-E67 PolarHBondContact NH1-OE2 3.11Å; R15-T113 VanDerWaalsContact CD-CG2 3.47Å; R15-F138 CarbonylContact O-C 3.5Å; R15-F138 WeakPolarHBondContact O-CA 3.47Å; R15-F138 VanDerWaalsContact O-CB 3.31Å; R15-F138 WeakPolarHBondContact O-CB 3.34Å; R15-W139 HydrophobicContact CB-CB 4.36Å; R15-W139 HydrophobicContact CB-CE3 4.2Å; R15-W139 HydrophobicContact CG-CE3 4.12Å; R15-W139 PolarHBondContact N-O 2.97Å; R15-W139 PolarHBondContact O-N 2.87Å
16V96.7Very high88.5Confident0 Ų050.1 Ų50.10%024%0.239CC..EExtended strand (participates in β ladder)trans-85.3110.1176.3-178.40000108.8V14 C41 I43 W64 N65 F66 L136V14-V16 HydrophobicContact CG1-CG2 3.91Å; V16-C41 HydrophobicContact CG1-CB 3.95Å; V16-I43 HydrophobicContact CG2-CD1 3.87Å; V16-I43 HydrophobicContact CG2-CG1 4.23Å; V16-W64 HydrophobicContact CG1-CD2 4.44Å; V16-W64 HydrophobicContact CG1-CE3 3.69Å; V16-W64 HydrophobicContact CG1-CZ3 4.12Å; V16-N65 CarbonylContact O-C 3.44Å; V16-N65 WeakPolarHBondContact O-CA 3.28Å; V16-N65 PolarHBondContact O-N 3.45Å; V16-N65 VanDerWaalsContact O-N 3.15Å; V16-F66 PolarHBondContact N-O 3.27Å; V16-F66 PolarHBondContact O-N 3.31Å; V16-L136 HydrophobicContact CG1-CD1 3.98Å
17Y96.5Very high88.2Confident85 Ų8552.1 Ų52.133%0.33324%0.24SC..EExtended strand (participates in β ladder)trans-84.8-70.8-174.1-178.4-153.2000111.8V63 W64 N65 Y137 W139Y17-V63 HydrophobicContact CD2-CG1 4.3Å; Y17-V63 HydrophobicContact CE2-CG1 4.14Å; Y17-W64 PolarHBondContact O-N 3.43Å; Y17-N65 PolarHBondContact O-N 3.43Å; Y17-Y137 WeakPolarHBondContact CB-O 3.48Å; Y17-Y137 PolarHBondContact N-O 3Å; Y17-W139 AromaticContact CD1-CH2 3.92Å; Y17-W139 HydrophobicContact CD1-CH2 3.92Å; Y17-W139 HydrophobicContact CD1-CZ3 4.05Å; Y17-W139 HydrophobicContact CE1-CH2 4.42Å; Y17-W139 HydrophobicContact CG-CH2 4.15Å; Y17-W139 AromaticContact CG-CZ3 3.84Å; Y17-W139 HydrophobicContact CG-CZ3 3.84Å
18K96.5Very high87.3Confident55 Ų5550.6 Ų50.624%0.23925%0.252CS..EExtended strand (participates in β ladder)trans-149.3166.8-177.765.1165.8175.2165.90111.4E20 P62 V63 Y137K18-E20 WeakPolarHBondContact CE-OE1 3.31Å; K18-E20 IonicContact NZ-OE1 3.54Å; K18-E20 PolarHBondContact NZ-OE1 3.47Å; K18-P62 CarbonylContact C-O 3.54Å; K18-P62 WeakPolarHBondContact CA-O 3.48Å; K18-P62 WeakPolarHBondContact CB-O 3.46Å; K18-V63 HydrophobicContact CB-CB 4.33Å; K18-V63 HydrophobicContact CB-CG1 4.42Å; K18-V63 HydrophobicContact CB-CG2 3.95Å; K18-Y137 HydrophobicContact CG-CD2 3.96Å; K18-Y137 HydrophobicContact CG-CG 3.91Å; K18-Y137 PolarHBondContact N-O 2.82Å; K18-Y137 WeakPolarHBondContact O-CB 3.48Å; K18-Y137 PolarHBondContact O-N 2.99Å
19A96.9Very high85.9Confident0 Ų052.4 Ų52.40%026%0.263CS..EExtended strand (participates in β ladder)trans-123.5164.3162.100000110.9L22 N61 P62 W64 R135 L136A19-L22 HydrophobicContact CB-CD1 3.75Å; A19-L22 HydrophobicContact CB-CD2 3.75Å; A19-L22 HydrophobicContact CB-CG 3.7Å; A19-N61 CarbonylContact O-C 3.53Å; A19-N61 VanDerWaalsContact O-CA 3.25Å; A19-N61 WeakPolarHBondContact O-CA 3.28Å; A19-P62 HydrophobicContact CB-CG 4.16Å; A19-P62 PolarHBondContact N-O 2.99Å; A19-W64 HydrophobicContact CB-CH2 3.99Å; A19-W64 HydrophobicContact CB-CZ3 3.75Å; A19-R135 CarbonylContact C-O 3.6Å; A19-R135 WeakPolarHBondContact CA-O 3.49Å; A19-R135 VanDerWaalsContact CB-O 3.32Å; A19-R135 WeakPolarHBondContact CB-O 3.37Å; A19-L136 HydrophobicContact CB-CD1 4.02Å
20E94.7Very high84Confident48 Ų4861.6 Ų61.622%0.22431%0.305CS..EExtended strand (participates in β ladder)trans-134.2143176.9-66.4179-176.100110.8K18 L22 N61 G134 R135 Y137K18-E20 WeakPolarHBondContact CE-OE1 3.31Å; K18-E20 IonicContact NZ-OE1 3.54Å; K18-E20 PolarHBondContact NZ-OE1 3.47Å; E20-L22 VanDerWaalsContact C-N 3.29Å; E20-L22 PolarHBondContact O-N 3.33Å; E20-N61 VanDerWaalsContact CA-OD1 3.25Å; E20-N61 WeakPolarHBondContact CA-OD1 3.43Å; E20-G134 CarbonylContact O-C 3.58Å; E20-G134 WeakPolarHBondContact O-CA 3.29Å; E20-R135 PolarHBondContact N-O 3.01Å; E20-R135 PolarHBondContact O-N 2.88Å; E20-Y137 HydrophobicContact CB-CE2 4.27Å; E20-Y137 HydrophobicContact CG-CD2 4.44Å; E20-Y137 HydrophobicContact CG-CE2 3.78Å; E20-Y137 PolarHBondContact OE2-OH 2.88Å; E20-Y137 VanDerWaalsContact OE2-OH 3.13Å
21N91Very high82.4Confident81 Ų8166.2 Ų66.243%0.43333%0.325SS..SBendtrans55.634176.9-69.9-77.4000115.2R23 G60 N61 G134N21-R23 PolarHBondContact O-N 2.83Å; N21-G60 PolarHBondContact N-O 3.4Å; N21-N61 PolarHBondContact N-OD1 3.37Å; N21-G134 WeakPolarHBondContact O-CA 3.43Å; N21-G134 PolarHBondContact O-N 2.92Å
22L91.8Very high80.3Confident3 Ų374 Ų742%0.01636%0.362CS..  trans-63.7131.3173.5-63.6-175.3000111.5A19 E20 W39 G60 P62 W64 V83 V91A19-L22 HydrophobicContact CB-CD1 3.75Å; A19-L22 HydrophobicContact CB-CD2 3.75Å; A19-L22 HydrophobicContact CB-CG 3.7Å; E20-L22 VanDerWaalsContact C-N 3.29Å; E20-L22 PolarHBondContact O-N 3.33Å; L22-W39 HydrophobicContact CB-CD2 4.23Å; L22-W39 HydrophobicContact CB-CE3 4.23Å; L22-W39 HydrophobicContact CB-CH2 4.13Å; L22-W39 HydrophobicContact CB-CZ2 4.13Å; L22-W39 HydrophobicContact CB-CZ3 4.19Å; L22-W39 HydrophobicContact CD1-CB 4.11Å; L22-W39 HydrophobicContact CD1-CD2 3.86Å; L22-W39 HydrophobicContact CD1-CE3 4.08Å; L22-W39 HydrophobicContact CD1-CG 3.9Å; L22-G60 WeakPolarHBondContact CB-O 3.46Å; L22-G60 WeakPolarHBondContact CG-O 3.44Å; L22-G60 PolarHBondContact N-O 3.39Å; L22-P62 HydrophobicContact CD1-CG 3.54Å; L22-W64 HydrophobicContact CD1-CH2 4.13Å; L22-V83 HydrophobicContact CD1-CG1 3.61Å; L22-V83 HydrophobicContact CD2-CG1 3.87Å; L22-V83 HydrophobicContact CG-CG1 4.39Å; L22-V91 HydrophobicContact CB-CG1 4.12Å; L22-V91 HydrophobicContact CD2-CG1 3.82Å
23R86.3Confident78.5Confident95 Ų9579.9 Ų79.936%0.35839%0.387SS..  trans-144.1130.5174.6-59.1-173.4-175.6-150.9-1.6110.6N21 A25 F133 L373N21-R23 PolarHBondContact O-N 2.83Å; R23-A25 PolarHBondContact O-N 3.12Å; R23-F133 HydrophobicContact CB-CB 4.01Å; R23-F133 HydrophobicContact CB-CD1 4.31Å; R23-F133 HydrophobicContact CB-CG 4.16Å; R23-F133 WeakPolarHBondContact O-CB 3.46Å; R23-L373 VanDerWaalsContact NH1-CD1 3.33Å
24V83.2Confident76.7Confident37 Ų3788.2 Ų88.222%0.22442%0.424CS..PPolyproline II helixtrans-71.5127.3168.9-175.10000108.2W39 D85 N89 V91V24-W39 HydrophobicContact CG2-CH2 4.31Å; V24-W39 HydrophobicContact CG2-CZ3 3.86Å; V24-D85 HydrophobicContact CG2-CB 4.1Å; V24-N89 HydrophobicContact CG1-CB 3.77Å; V24-N89 HydrophobicContact CG2-CB 4.45Å; V24-V91 HydrophobicContact CG2-CG2 4.1Å
25A74.1Confident75.3Confident24 Ų2493.4 Ų93.420%0.19846%0.455CS..PPolyproline II helixtrans-60.9134.1176.600000110.6R23 R27 T129 F133R23-A25 PolarHBondContact O-N 3.12Å; A25-R27 PolarHBondContact O-N 3.33Å; A25-R27 VanDerWaalsContact O-N 3.12Å; A25-T129 HydrophobicContact CB-CG2 3.62Å; A25-F133 HydrophobicContact CB-CE2 3.97Å
26P65.8Low74Confident130 Ų13091.2 Ų91.284%0.84445%0.449SS*.PPolyproline II helixtrans-56.7119.2175.2-25.234.6000110.7
27R61.7Low73.4Confident157 Ų15794.7 Ų94.759%0.59247%0.465SS*.PPolyproline II helixtrans-78.5145.4176.9-59.2177.565.2152.64.4108.9A25 D29 N89A25-R27 PolarHBondContact O-N 3.33Å; A25-R27 VanDerWaalsContact O-N 3.12Å; R27-D29 WeakPolarHBondContact CB-OD1 3.29Å; R27-D29 IonicContact NE-OD1 3.84Å; R27-D29 PolarHBondContact O-N 3.03Å; R27-N89 PolarHBondContact NH1-OD1 3.43Å
28S57.9Low73.2Confident118 Ų11895.3 Ų95.383%0.82547%0.47SS*.SBendtrans-76.4-3.3-173.351.10000114.5H30S28-H30 PolarHBondContact O-N 2.96Å
29D56.9Low73.1Confident87 Ų8793.1 Ų93.147%0.46546%0.46SS..SBendtrans-73113.1164.954.9-55.7000110.3R27 K31R27-D29 WeakPolarHBondContact CB-OD1 3.29Å; R27-D29 IonicContact NE-OD1 3.84Å; R27-D29 PolarHBondContact O-N 3.03Å; D29-K31 PolarHBondContact O-N 3.32Å
30H51.3Low73.1Confident198 Ų19894.1 Ų94.192%0.91746%0.464SS*.  trans-6219.8-175.1-62-72.9000116.4S28S28-H30 PolarHBondContact O-N 2.96Å
31K56.2Low73.2Confident173 Ų17391.9 Ų91.975%0.75245%0.454SS*.SBendtrans-83.1120.3169.1-65.6-179.9178.9-1790107.9D29 K33D29-K31 PolarHBondContact O-N 3.32Å; K31-K33 PolarHBondContact O-N 2.95Å
32Q48.4Very low73.4Confident205 Ų20588.1 Ų88.196%0.95843%0.434SS*.  trans-64.784.7168.3-70.9-177.5-10.900109.4
33K55.7Low73.6Confident122 Ų12288 Ų8853%0.5343%0.433SS..PPolyproline II helixtrans-71135.8171.8-130.1-170-178.9-1600108.1K31 V35 E87K31-K33 PolarHBondContact O-N 2.95Å; K33-V35 PolarHBondContact O-N 3.36Å; K33-V35 VanDerWaalsContact O-N 3.15Å; K33-E87 VanDerWaalsContact CE-OE2 3.29Å; K33-E87 WeakPolarHBondContact CE-OE2 3.45Å; K33-E87 IonicContact NZ-OE1 2.71Å; K33-E87 IonicContact NZ-OE2 3.3Å; K33-E87 PolarHBondContact NZ-OE2 3.22Å
34K58.4Low73.9Confident175 Ų17586.2 Ų86.276%0.76143%0.43SS*.PPolyproline II helixtrans-57.8120.6176.2-174.5176.4-178.41790108.1S36K34-S36 PolarHBondContact O-N 2.97Å; K34-S36 VanDerWaalsContact O-N 3.08Å
35V64.7Low74Confident110 Ų11084.5 Ų84.567%0.66742%0.42SS*.PPolyproline II helixtrans-58.8117.4176.3179.80000107.4K33 Q37K33-V35 PolarHBondContact O-N 3.36Å; K33-V35 VanDerWaalsContact O-N 3.15Å; V35-Q37 PolarHBondContact O-N 3.44Å
36S70Confident74Confident13 Ų1385.3 Ų85.39%0.09143%0.431CS..PPolyproline II helixtrans-71.8126.7176.8-178.50000109.4K34 K38 D85 S86K34-S36 PolarHBondContact O-N 2.97Å; K34-S36 VanDerWaalsContact O-N 3.08Å; S36-K38 VanDerWaalsContact C-N 3.34Å; S36-K38 PolarHBondContact OG-N 3.25Å; S36-K38 PolarHBondContact OG-O 3.45Å; S36-D85 WeakPolarHBondContact CB-OD2 3.44Å; S36-S86 PolarHBondContact OG-OG 2.86Å
37Q83.6Confident74.5Confident72 Ų7290.6 Ų90.634%0.33643%0.434SS..  trans-97.610.3178.1-65.4163.5-51.400111.1V35 Y56 A57 P58V35-Q37 PolarHBondContact O-N 3.44Å; Q37-Y56 HydrophobicContact CB-CD2 3.86Å; Q37-Y56 HydrophobicContact CB-CE2 3.51Å; Q37-Y56 HydrophobicContact CG-CE2 4.43Å; Q37-Y56 CarbonylContact O-C 3.58Å; Q37-Y56 WeakPolarHBondContact O-CA 3.24Å; Q37-A57 PolarHBondContact O-N 3.49Å; Q37-P58 HydrophobicContact CB-CB 4.01Å; Q37-P58 HydrophobicContact CG-CB 3.83Å
38K92.6Very high75.6Confident99 Ų9988.6 Ų88.643%0.4343%0.429SS..EExtended strand (participates in β ladder)trans-116.6129.3179.7-70-164.4177.9-1660110.7S36 V55 Y56 D85 S86S36-K38 VanDerWaalsContact C-N 3.34Å; S36-K38 PolarHBondContact OG-N 3.25Å; S36-K38 PolarHBondContact OG-O 3.45Å; K38-V55 CarbonylContact C-O 3.44Å; K38-V55 VanDerWaalsContact CA-O 3.28Å; K38-V55 WeakPolarHBondContact CA-O 3.22Å; K38-Y56 HydrophobicContact CG-CD2 3.85Å; K38-Y56 HydrophobicContact CG-CG 4.44Å; K38-D85 CarbonylContact O-C 3.55Å; K38-D85 VanDerWaalsContact O-CA 3.26Å; K38-D85 WeakPolarHBondContact O-CA 3.29Å; K38-S86 PolarHBondContact O-N 2.89Å
39W94.9Very high77.2Confident8 Ų889.6 Ų89.63%0.0342%0.419CS..EExtended strand (participates in β ladder)trans-124.9143.8-170.5-46.5100.2000112.5L22 V24 C54 V55 A57 P62 W64 D85 V91L22-W39 HydrophobicContact CB-CD2 4.23Å; L22-W39 HydrophobicContact CB-CE3 4.23Å; L22-W39 HydrophobicContact CB-CH2 4.13Å; L22-W39 HydrophobicContact CB-CZ2 4.13Å; L22-W39 HydrophobicContact CB-CZ3 4.19Å; L22-W39 HydrophobicContact CD1-CB 4.11Å; L22-W39 HydrophobicContact CD1-CD2 3.86Å; L22-W39 HydrophobicContact CD1-CE3 4.08Å; L22-W39 HydrophobicContact CD1-CG 3.9Å; V24-W39 HydrophobicContact CG2-CH2 4.31Å; V24-W39 HydrophobicContact CG2-CZ3 3.86Å; W39-C54 CarbonylContact O-C 3.48Å; W39-C54 WeakPolarHBondContact O-CA 3.35Å; W39-V55 PolarHBondContact N-O 2.99Å; W39-V55 PolarHBondContact O-N 3.37Å; W39-A57 PolarHBondContact NE1-O 3.39Å; W39-P62 HydrophobicContact CB-CB 4.16Å; W39-P62 HydrophobicContact CB-CG 3.84Å; W39-P62 HydrophobicContact CG-CB 4.35Å; W39-P62 HydrophobicContact CG-CG 3.93Å; W39-W64 HydrophobicContact CB-CZ2 3.78Å; W39-W64 PolarHBondContact O-NE1 3.05Å; W39-D85 HydrophobicContact CE3-CB 4.21Å; W39-D85 HydrophobicContact CZ3-CB 4.28Å; W39-V91 HydrophobicContact CE3-CG2 3.76Å; W39-V91 HydrophobicContact CH2-CG2 4.46Å; W39-V91 HydrophobicContact CZ3-CG2 3.39Å
40K95.6Very high79Confident22 Ų2287.5 Ų87.510%0.09641%0.407CS..EExtended strand (participates in β ladder)trans-136.2139.1174.168-163.6-178.4-168.50111.1V42 T52 S84 D85 D88K40-V42 HydrophobicContact CG-CG2 4.35Å; K40-T52 WeakPolarHBondContact CA-OG1 3.44Å; K40-S84 VanDerWaalsContact CE-OG 3.24Å; K40-S84 WeakPolarHBondContact CE-OG 3.48Å; K40-S84 VanDerWaalsContact CG-OG 3.26Å; K40-S84 WeakPolarHBondContact CG-OG 3.29Å; K40-S84 PolarHBondContact N-O 3Å; K40-S84 PolarHBondContact O-N 3.01Å; K40-S84 VanDerWaalsContact O-O 3.11Å; K40-S84 PolarHBondContact O-OG 3.32Å; K40-D85 VanDerWaalsContact CE-O 3.26Å; K40-D85 WeakPolarHBondContact CE-O 3.49Å; K40-D88 VanDerWaalsContact CE-OD1 3.31Å; K40-D88 WeakPolarHBondContact CE-OD1 3.36Å; K40-D88 IonicContact NZ-OD1 3.88Å; K40-D88 PolarHBondContact NZ-OD1 2.93Å; K40-D88 IonicContact NZ-OD2 2.84Å; K40-D88 PolarHBondContact NZ-OD2 2.86Å
41C96.5Very high81Confident0 Ų080.6 Ų80.60%038%0.382CS..EExtended strand (participates in β ladder)trans-96.2134.2169.3-173.90000109.6V16 S51 T52 W64V16-C41 HydrophobicContact CG1-CB 3.95Å; C41-S51 WeakPolarHBondContact O-CA 3.49Å; C41-T52 HydrophobicContact CB-CG2 3.84Å; C41-T52 PolarHBondContact N-OG1 3.38Å; C41-T52 PolarHBondContact O-N 2.86Å; C41-T52 PolarHBondContact O-OG1 3.12Å; C41-W64 HydrophobicContact CB-CE3 4.48Å; C41-W64 HydrophobicContact CB-CH2 4.16Å; C41-W64 HydrophobicContact CB-CZ2 4.25Å; C41-W64 HydrophobicContact CB-CZ3 4.29Å
42V95.5Very high83Confident2 Ų272.7 Ų72.71%0.01235%0.347CS..EExtended strand (participates in β ladder)trans-118110-175.9176.10000108.5K40 L44 K49 I50 L82K40-V42 HydrophobicContact CG-CG2 4.35Å; V42-L44 HydrophobicContact CG1-CD2 3.96Å; V42-L44 HydrophobicContact CG1-CG 4.29Å; V42-K49 HydrophobicContact CG1-CD 4.16Å; V42-K49 HydrophobicContact CG1-CG 3.79Å; V42-I50 CarbonylContact C-O 3.55Å; V42-I50 WeakPolarHBondContact CA-O 3.35Å; V42-L82 HydrophobicContact CB-CB 4.21Å; V42-L82 WeakPolarHBondContact CB-O 3.23Å; V42-L82 PolarHBondContact N-O 3.15Å; V42-L82 PolarHBondContact O-N 3.03Å
43I95.5Very high85.1Confident2 Ų269.2 Ų69.21%0.0133%0.331CS..EExtended strand (participates in β ladder)trans-89.2120.7-177.3-54.6171000108.2V14 V16 K49 I50 F66 T68 F70 V79 L81V14-I43 HydrophobicContact CB-CD1 4.34Å; V14-I43 HydrophobicContact CG1-CD1 4.07Å; V14-I43 HydrophobicContact CG2-CG2 4.44Å; V16-I43 HydrophobicContact CG2-CD1 3.87Å; V16-I43 HydrophobicContact CG2-CG1 4.23Å; I43-K49 WeakPolarHBondContact O-CA 3.42Å; I43-I50 HydrophobicContact CB-CB 4.43Å; I43-I50 PolarHBondContact N-O 2.98Å; I43-I50 PolarHBondContact O-N 3.23Å; I43-F66 HydrophobicContact CD1-CD1 4.26Å; I43-F66 HydrophobicContact CD1-CE1 4.14Å; I43-T68 HydrophobicContact CD1-CG2 3.5Å; I43-T68 VanDerWaalsContact CD1-CG2 3.5Å; I43-F70 HydrophobicContact CG2-CD1 4.33Å; I43-F70 HydrophobicContact CG2-CE1 3.55Å; I43-F70 HydrophobicContact CG2-CZ 3.88Å; I43-V79 HydrophobicContact CG2-CG1 4.4Å; I43-L81 HydrophobicContact CB-CD2 4.36Å; I43-L81 HydrophobicContact CG1-CD2 3.94Å; I43-L81 HydrophobicContact CG2-CD2 4.03Å
44L92.8Very high86.9Confident57 Ų5766.2 Ų66.230%0.29833%0.325SS..EExtended strand (participates in β ladder)trans-115.2124.4-178.8-57.2171.8000109.4V42 K49 V80 L82V42-L44 HydrophobicContact CG1-CD2 3.96Å; V42-L44 HydrophobicContact CG1-CG 4.29Å; L44-K49 HydrophobicContact CD2-CB 3.86Å; L44-K49 HydrophobicContact CD2-CD 4.29Å; L44-K49 HydrophobicContact CD2-CG 3.69Å; L44-V80 HydrophobicContact CB-CB 4.19Å; L44-V80 HydrophobicContact CD1-CB 4.4Å; L44-V80 PolarHBondContact N-O 3.24Å; L44-V80 PolarHBondContact O-N 2.96Å; L44-L82 HydrophobicContact CD1-CB 4.39Å; L44-L82 HydrophobicContact CD1-CD2 4.4Å
45G85.4Confident88.7Confident1 Ų159.1 Ų59.11%0.0130%0.296CS..EExtended strand (participates in β ladder)trans-140.499-179.400000111.4R47 K48G45-R47 PolarHBondContact O-N 3.2Å; G45-K48 PolarHBondContact N-O 2.85Å; G45-K48 PolarHBondContact O-N 2.75Å
46G74.3Confident90Very high41 Ų4160.3 Ų60.342%0.42329%0.29SS..THydrogen-bonded Turntrans57.9-104-174.300000112.1
47R76.8Confident91.1Very high241 Ų24160.1 Ų60.191%0.90929%0.289SS*.THydrogen-bonded Turntrans-98.2-11.9176.4-63.9-171.8-176-174.22.9114.6G45 A73G45-R47 PolarHBondContact O-N 3.2Å; R47-A73 HydrophobicContact CG-CB 4.27Å
48K84.7Confident91.2Very high114 Ų11460.3 Ų60.350%0.49630%0.296SS..EExtended strand (participates in β ladder)trans-86.2137.9178.9-74.8-169.9170-166.20110.8G45 F70G45-K48 PolarHBondContact N-O 2.85Å; G45-K48 PolarHBondContact O-N 2.75Å; K48-F70 HydrophobicContact CD-CB 4.05Å
49K91.9Very high91Very high140 Ų14060 Ų6061%0.60930%0.299SS*.EExtended strand (participates in β ladder)trans-123.4121.4169.5175.8-175.5-175.1-163.10107.5V42 I43 L44V42-K49 HydrophobicContact CG1-CD 4.16Å; V42-K49 HydrophobicContact CG1-CG 3.79Å; I43-K49 WeakPolarHBondContact O-CA 3.42Å; L44-K49 HydrophobicContact CD2-CB 3.86Å; L44-K49 HydrophobicContact CD2-CD 4.29Å; L44-K49 HydrophobicContact CD2-CG 3.69Å
50I94.4Very high90.7Very high42 Ų4259.6 Ų59.622%0.21530%0.298CS..EExtended strand (participates in β ladder)trans-121146.7176.3-53.4179.6000107.1V42 I43 F66 T68 F70V42-I50 CarbonylContact C-O 3.55Å; V42-I50 WeakPolarHBondContact CA-O 3.35Å; I43-I50 HydrophobicContact CB-CB 4.43Å; I43-I50 PolarHBondContact N-O 2.98Å; I43-I50 PolarHBondContact O-N 3.23Å; I50-F66 HydrophobicContact CG2-CE1 3.99Å; I50-F66 HydrophobicContact CG2-CZ 3.91Å; I50-T68 HydrophobicContact CD1-CG2 4.03Å; I50-T68 WeakPolarHBondContact CD1-OG1 3.35Å; I50-T68 HydrophobicContact CG2-CG2 4.13Å; I50-F70 HydrophobicContact CD1-CB 4.09Å; I50-F70 HydrophobicContact CD1-CD1 4.28Å; I50-F70 HydrophobicContact CD1-CG 4.47Å
51S94.3Very high90.7Very high54 Ų5461.2 Ų61.238%0.37831%0.308SS..EExtended strand (participates in β ladder)trans-127.6141.4179.5-1720000109.5C41C41-S51 WeakPolarHBondContact O-CA 3.49Å
52T96.3Very high90.6Very high6 Ų661.3 Ų61.34%0.03731%0.308CS..  trans-65.6168.5158.668.70000109.9K40 C41 W64 F66K40-T52 WeakPolarHBondContact CA-OG1 3.44Å; C41-T52 HydrophobicContact CB-CG2 3.84Å; C41-T52 PolarHBondContact N-OG1 3.38Å; C41-T52 PolarHBondContact O-N 2.86Å; C41-T52 PolarHBondContact O-OG1 3.12Å; T52-W64 HydrophobicContact CG2-CB 4.16Å; T52-W64 HydrophobicContact CG2-CD2 4.49Å; T52-W64 HydrophobicContact CG2-CG 4.02Å; T52-W64 PolarHBondContact OG1-NE1 2.99Å; T52-F66 HydrophobicContact CG2-CB 3.82Å; T52-F66 HydrophobicContact CG2-CD1 3.82Å; T52-F66 HydrophobicContact CG2-CG 3.87Å
53E93.7Very high90.7Very high133 Ų13364.9 Ų64.962%0.62133%0.33SS*.  trans-62.2172.1159.157.2165.6-14800113.1V55 W64E53-V55 HydrophobicContact CG-CG2 4.22Å; E53-V55 WeakPolarHBondContact OE1-CG2 3.26Å; E53-W64 PolarHBondContact O-NE1 2.91Å
54C93.9Very high90.7Very high58 Ų5865.6 Ų65.639%0.39233%0.332SS..  trans-101.187.2-177.4-66.10000111.7W39W39-C54 CarbonylContact O-C 3.48Å; W39-C54 WeakPolarHBondContact O-CA 3.35Å
55V94.9Very high90.8Very high27 Ų2766.7 Ų66.716%0.16434%0.339CS..EExtended strand (participates in β ladder)trans-74.9131.7-177.3173.60000110.9K38 W39 E53 P62 V63 W64K38-V55 CarbonylContact C-O 3.44Å; K38-V55 VanDerWaalsContact CA-O 3.28Å; K38-V55 WeakPolarHBondContact CA-O 3.22Å; W39-V55 PolarHBondContact N-O 2.99Å; W39-V55 PolarHBondContact O-N 3.37Å; E53-V55 HydrophobicContact CG-CG2 4.22Å; E53-V55 WeakPolarHBondContact OE1-CG2 3.26Å; V55-P62 HydrophobicContact CB-CB 4.12Å; V55-P62 HydrophobicContact CG1-CB 3.91Å; V55-V63 WeakPolarHBondContact CG2-O 3.31Å; V55-W64 HydrophobicContact CG2-CG 4.19Å
56Y93.7Very high91.3Very high135 Ų13569.5 Ų69.553%0.52935%0.351SS..EExtended strand (participates in β ladder)trans-84.4111.9174.6179.3-98.8000110.5Q37 K38 P58Q37-Y56 HydrophobicContact CB-CD2 3.86Å; Q37-Y56 HydrophobicContact CB-CE2 3.51Å; Q37-Y56 HydrophobicContact CG-CE2 4.43Å; Q37-Y56 CarbonylContact O-C 3.58Å; Q37-Y56 WeakPolarHBondContact O-CA 3.24Å; K38-Y56 HydrophobicContact CG-CD2 3.85Å; K38-Y56 HydrophobicContact CG-CG 4.44Å; Y56-P58 HydrophobicContact CE1-CG 4.01Å
57A91.6Very high92.3Very high8 Ų871.3 Ų71.37%0.06635%0.348CS..  trans-141.989.7178.300000108.8Q37 W39 D59 G60 P62Q37-A57 PolarHBondContact O-N 3.49Å; W39-A57 PolarHBondContact NE1-O 3.39Å; A57-D59 WeakPolarHBondContact CB-OD1 3.26Å; A57-D59 PolarHBondContact O-N 2.94Å; A57-G60 PolarHBondContact O-N 3.04Å; A57-P62 HydrophobicContact CB-CB 3.93Å
58P87.1Confident93.2Very high77 Ų7761 Ų6150%0.531%0.312SS..THydrogen-bonded Turntrans-70.9-13.1-170.329.7-36.3000114.2Q37 Y56Q37-P58 HydrophobicContact CB-CB 4.01Å; Q37-P58 HydrophobicContact CG-CB 3.83Å; Y56-P58 HydrophobicContact CE1-CG 4.01Å
59D86.8Confident93.6Very high91 Ų9158.7 Ų58.749%0.48731%0.308SS..THydrogen-bonded Turntrans-82.2-15.4172.662.9-16.7000113.6A57 N61A57-D59 WeakPolarHBondContact CB-OD1 3.26Å; A57-D59 PolarHBondContact O-N 2.94Å; D59-N61 PolarHBondContact OD1-N 3.16Å; D59-N61 WeakPolarHBondContact OD2-CB 3.26Å; D59-N61 PolarHBondContact OD2-ND2 2.92Å
60G89.7Confident93.7Very high1 Ų152.1 Ų52.11%0.0128%0.279CS..SBendtrans88.516.4-175.100000114.7N21 L22 A57 P62N21-G60 PolarHBondContact N-O 3.4Å; L22-G60 WeakPolarHBondContact CB-O 3.46Å; L22-G60 WeakPolarHBondContact CG-O 3.44Å; L22-G60 PolarHBondContact N-O 3.39Å; A57-G60 PolarHBondContact O-N 3.04Å; G60-P62 VanDerWaalsContact O-CD 3.25Å; G60-P62 WeakPolarHBondContact O-CD 3.5Å
61N94.4Very high93.5Very high56 Ų5655.4 Ų55.430%0.29929%0.292SS..  trans-116.358.2-177-50.6-50.7000113.8A19 E20 N21 D59A19-N61 CarbonylContact O-C 3.53Å; A19-N61 VanDerWaalsContact O-CA 3.25Å; A19-N61 WeakPolarHBondContact O-CA 3.28Å; E20-N61 VanDerWaalsContact CA-OD1 3.25Å; E20-N61 WeakPolarHBondContact CA-OD1 3.43Å; N21-N61 PolarHBondContact N-OD1 3.37Å; D59-N61 PolarHBondContact OD1-N 3.16Å; D59-N61 WeakPolarHBondContact OD2-CB 3.26Å; D59-N61 PolarHBondContact OD2-ND2 2.92Å
62P95.8Very high93.3Very high1 Ų153.1 Ų53.11%0.00628%0.275CS..  trans-68.4140.7-177.530.9-37000112.6K18 A19 L22 W39 V55 A57 G60 W64K18-P62 CarbonylContact C-O 3.54Å; K18-P62 WeakPolarHBondContact CA-O 3.48Å; K18-P62 WeakPolarHBondContact CB-O 3.46Å; A19-P62 HydrophobicContact CB-CG 4.16Å; A19-P62 PolarHBondContact N-O 2.99Å; L22-P62 HydrophobicContact CD1-CG 3.54Å; W39-P62 HydrophobicContact CB-CB 4.16Å; W39-P62 HydrophobicContact CB-CG 3.84Å; W39-P62 HydrophobicContact CG-CB 4.35Å; W39-P62 HydrophobicContact CG-CG 3.93Å; V55-P62 HydrophobicContact CB-CB 4.12Å; V55-P62 HydrophobicContact CG1-CB 3.91Å; A57-P62 HydrophobicContact CB-CB 3.93Å; G60-P62 VanDerWaalsContact O-CD 3.25Å; G60-P62 WeakPolarHBondContact O-CD 3.5Å; P62-W64 HydrophobicContact CB-CD2 4.47Å; P62-W64 HydrophobicContact CB-CH2 4.32Å; P62-W64 HydrophobicContact CB-CZ2 4.03Å; P62-W64 HydrophobicContact CG-CH2 3.54Å; P62-W64 HydrophobicContact CG-CZ2 3.65Å; P62-W64 HydrophobicContact CG-CZ3 3.99Å
63V96.3Very high92.7Very high77 Ų7755.1 Ų55.147%0.46729%0.293SS..EExtended strand (participates in β ladder)trans-107.8125.4166.7-174.90000107.9Y17 K18 V55Y17-V63 HydrophobicContact CD2-CG1 4.3Å; Y17-V63 HydrophobicContact CE2-CG1 4.14Å; K18-V63 HydrophobicContact CB-CB 4.33Å; K18-V63 HydrophobicContact CB-CG1 4.42Å; K18-V63 HydrophobicContact CB-CG2 3.95Å; V55-V63 WeakPolarHBondContact CG2-O 3.31Å
64W96Very high92.1Very high17 Ų1752.3 Ų52.36%0.06428%0.284CS..EExtended strand (participates in β ladder)trans-110.3-34.5177.3-62.7-79.1000112.9V16 Y17 A19 L22 W39 C41 T52 E53 V55 P62 F66 V83 L136V16-W64 HydrophobicContact CG1-CD2 4.44Å; V16-W64 HydrophobicContact CG1-CE3 3.69Å; V16-W64 HydrophobicContact CG1-CZ3 4.12Å; Y17-W64 PolarHBondContact O-N 3.43Å; A19-W64 HydrophobicContact CB-CH2 3.99Å; A19-W64 HydrophobicContact CB-CZ3 3.75Å; L22-W64 HydrophobicContact CD1-CH2 4.13Å; W39-W64 HydrophobicContact CB-CZ2 3.78Å; W39-W64 PolarHBondContact O-NE1 3.05Å; C41-W64 HydrophobicContact CB-CE3 4.48Å; C41-W64 HydrophobicContact CB-CH2 4.16Å; C41-W64 HydrophobicContact CB-CZ2 4.25Å; C41-W64 HydrophobicContact CB-CZ3 4.29Å; T52-W64 HydrophobicContact CG2-CB 4.16Å; T52-W64 HydrophobicContact CG2-CD2 4.49Å; T52-W64 HydrophobicContact CG2-CG 4.02Å; T52-W64 PolarHBondContact OG1-NE1 2.99Å; E53-W64 PolarHBondContact O-NE1 2.91Å; V55-W64 HydrophobicContact CG2-CG 4.19Å; P62-W64 HydrophobicContact CB-CD2 4.47Å; P62-W64 HydrophobicContact CB-CH2 4.32Å; P62-W64 HydrophobicContact CB-CZ2 4.03Å; P62-W64 HydrophobicContact CG-CH2 3.54Å; P62-W64 HydrophobicContact CG-CZ2 3.65Å; P62-W64 HydrophobicContact CG-CZ3 3.99Å; W64-F66 HydrophobicContact CB-CB 4.24Å; W64-F66 PolarHBondContact O-N 2.91Å; W64-V83 HydrophobicContact CH2-CG1 4.18Å; W64-L136 HydrophobicContact CZ3-CD1 3.79Å
65N94.2Very high91.6Very high81 Ų8155.1 Ų55.143%0.43329%0.287SS..EExtended strand (participates in β ladder)trans46.534.3-175.2-164.728.2000114.2R15 V16 Y17R15-N65 PolarHBondContact NE-OD1 3.32Å; R15-N65 PolarHBondContact NH2-OD1 2.98Å; V16-N65 CarbonylContact O-C 3.44Å; V16-N65 WeakPolarHBondContact O-CA 3.28Å; V16-N65 PolarHBondContact O-N 3.45Å; V16-N65 VanDerWaalsContact O-N 3.15Å; Y17-N65 PolarHBondContact O-N 3.43Å
66F96Very high90.9Very high60 Ų6056 Ų5626%0.26330%0.302SS..EExtended strand (participates in β ladder)trans-94128-170.1175.2-92.1000111.3R15 V16 I43 I50 T52 W64 T68R15-F66 CarbonylContact C-O 3.54Å; R15-F66 WeakPolarHBondContact CA-O 3.38Å; V16-F66 PolarHBondContact N-O 3.27Å; V16-F66 PolarHBondContact O-N 3.31Å; I43-F66 HydrophobicContact CD1-CD1 4.26Å; I43-F66 HydrophobicContact CD1-CE1 4.14Å; I50-F66 HydrophobicContact CG2-CE1 3.99Å; I50-F66 HydrophobicContact CG2-CZ 3.91Å; T52-F66 HydrophobicContact CG2-CB 3.82Å; T52-F66 HydrophobicContact CG2-CD1 3.82Å; T52-F66 HydrophobicContact CG2-CG 3.87Å; W64-F66 HydrophobicContact CB-CB 4.24Å; W64-F66 PolarHBondContact O-N 2.91Å; F66-T68 HydrophobicContact CE1-CG2 3.83Å
67E95.6Very high90.6Very high79 Ų7951.6 Ų51.637%0.36929%0.287SS..EExtended strand (participates in β ladder)trans-114.2140.2179.5-163.6163137.100111.9T13 V14 R15T13-E67 HydrophobicContact CG2-CG 3.81Å; V14-E67 WeakPolarHBondContact O-CA 2.77Å; R15-E67 HydrophobicContact CB-CB 4.27Å; R15-E67 HydrophobicContact CB-CG 3.98Å; R15-E67 WeakPolarHBondContact CD-OE2 3.21Å; R15-E67 HydrophobicContact CG-CB 4.06Å; R15-E67 HydrophobicContact CG-CG 4.25Å; R15-E67 IonicContact CZ-OE2 3.01Å; R15-E67 IonicContact NE-OE2 3.59Å; R15-E67 IonicContact NH1-OE2 2.62Å; R15-E67 PolarHBondContact NH1-OE2 3.11Å
68T94.9Very high90.7Very high25 Ų2553.5 Ų53.515%0.15330%0.299CS..EExtended strand (participates in β ladder)trans-154.7143.6175.8-165.50000113T13 V14 I43 I50 F66 F70T13-T68 WeakPolarHBondContact CA-O 3.48Å; V14-T68 PolarHBondContact N-O 3.42Å; V14-T68 PolarHBondContact O-N 2.86Å; I43-T68 HydrophobicContact CD1-CG2 3.5Å; I43-T68 VanDerWaalsContact CD1-CG2 3.5Å; I50-T68 HydrophobicContact CD1-CG2 4.03Å; I50-T68 WeakPolarHBondContact CD1-OG1 3.35Å; I50-T68 HydrophobicContact CG2-CG2 4.13Å; F66-T68 HydrophobicContact CE1-CG2 3.83Å; T68-F70 HydrophobicContact CG2-CD1 4.28Å
69T94.1Very high91Very high65 Ų6549.9 Ų49.940%0.39928%0.275SS..EExtended strand (participates in β ladder)trans-110.4136.5176.7-51.90000110.4E11 V12 T13 E143E11-T69 HydrophobicContact CG-CG2 3.52Å; V12-T69 WeakPolarHBondContact O-CA 3.35Å; T13-T69 WeakPolarHBondContact OG1-CG2 3.42Å; T13-T69 PolarHBondContact OG1-OG1 3.24Å; T69-E143 HydrophobicContact CG2-CG 4.03Å
70F93.2Very high91.4Very high2 Ų246.7 Ų46.71%0.00926%0.259CS..EExtended strand (participates in β ladder)trans-151.6150.4179.460.3-87.1000114.6E11 V12 V14 I43 K48 I50 T68 I72 V79E11-F70 WeakPolarHBondContact CA-O 3.39Å; V12-F70 HydrophobicContact CG1-CZ 4.46Å; V12-F70 PolarHBondContact N-O 3.03Å; V12-F70 PolarHBondContact O-N 3.06Å; V14-F70 HydrophobicContact CB-CE1 4.36Å; V14-F70 HydrophobicContact CG2-CE1 3.68Å; V14-F70 HydrophobicContact CG2-CZ 4.01Å; I43-F70 HydrophobicContact CG2-CD1 4.33Å; I43-F70 HydrophobicContact CG2-CE1 3.55Å; I43-F70 HydrophobicContact CG2-CZ 3.88Å; K48-F70 HydrophobicContact CD-CB 4.05Å; I50-F70 HydrophobicContact CD1-CB 4.09Å; I50-F70 HydrophobicContact CD1-CD1 4.28Å; I50-F70 HydrophobicContact CD1-CG 4.47Å; T68-F70 HydrophobicContact CG2-CD1 4.28Å; F70-I72 HydrophobicContact CD2-CG1 4.3Å; F70-I72 HydrophobicContact CE2-CG1 3.97Å; F70-V79 HydrophobicContact CE2-CG2 3.98Å; F70-V79 HydrophobicContact CZ-CB 4.46Å; F70-V79 HydrophobicContact CZ-CG1 3.84Å; F70-V79 HydrophobicContact CZ-CG2 3.77Å
71K91.4Very high91.8Very high111 Ų11146.6 Ų46.648%0.48326%0.258SS..EExtended strand (participates in β ladder)trans-81.4127.4175.3-57.6-173.7172.6171.30111.4K10 E11K10-K71 CarbonylContact O-C 3.59Å; K10-K71 VanDerWaalsContact O-CA 3.26Å; K10-K71 WeakPolarHBondContact O-CA 3.41Å; E11-K71 HydrophobicContact CB-CG 4.35Å; E11-K71 VanDerWaalsContact CD-CG 3.49Å; E11-K71 HydrophobicContact CG-CG 4.29Å; E11-K71 WeakPolarHBondContact OE1-CE 3.21Å; E11-K71 WeakPolarHBondContact OE1-CG 3.43Å; E11-K71 WeakPolarHBondContact OE2-CE 3.4Å; E11-K71 IonicContact OE2-NZ 2.74Å
72I89.5Confident91.9Very high5 Ų544.9 Ų44.93%0.02625%0.249CC..  trans-85.3124.8179.1-66-178.9000109.5P9 K10 V12 F70 T74 D77 V79 R146P9-I72 HydrophobicContact CB-CD1 4.29Å; P9-I72 HydrophobicContact CG-CD1 3.95Å; K10-I72 PolarHBondContact O-N 3.21Å; V12-I72 HydrophobicContact CB-CD1 4.2Å; V12-I72 HydrophobicContact CG2-CD1 3.55Å; V12-I72 HydrophobicContact CG2-CG1 4.36Å; F70-I72 HydrophobicContact CD2-CG1 4.3Å; F70-I72 HydrophobicContact CE2-CG1 3.97Å; I72-T74 PolarHBondContact O-N 3.23Å; I72-D77 HydrophobicContact CG2-CB 3.61Å; I72-V79 HydrophobicContact CD1-CG2 3.87Å; I72-R146 PolarHBondContact O-NH1 2.74Å; I72-R146 PolarHBondContact O-NH2 2.65Å
73A82.8Confident91.9Very high49 Ų4944.9 Ų44.941%0.40525%0.249SC..SBendtrans-64.2-45.2-166.200000114.8R47 R146R47-A73 HydrophobicContact CG-CB 4.27Å; A73-R146 VanDerWaalsContact C-NH2 3.25Å; A73-R146 PolarHBondContact O-NH2 3.43Å
74T82.4Confident91.7Very high73 Ų7341.2 Ų41.245%0.44823%0.227SC..SBendtrans-124.3169.3-177.976.90000112.7I72 G76 D77 R146I72-T74 PolarHBondContact O-N 3.23Å; T74-G76 PolarHBondContact O-N 3.41Å; T74-D77 WeakPolarHBondContact CA-OD2 3.49Å; T74-D77 WeakPolarHBondContact CB-OD2 3.42Å; T74-D77 PolarHBondContact N-OD2 2.9Å; T74-D77 PolarHBondContact OG1-OD1 3.03Å; T74-D77 PolarHBondContact OG1-OD2 3.12Å; T74-R146 PolarHBondContact O-NH1 2.86Å
75R82.8Confident91.5Very high118 Ų11840.5 Ų40.545%0.44522%0.224SC..THydrogen-bonded Turntrans-75.7114171.7-76.5-178.4176.4141.7-2.3109.2H8 E149H8-R75 HydrophobicContact CB-CB 4.37Å; H8-R75 HydrophobicContact CB-CG 4Å; R75-E149 IonicContact CZ-OE2 3.69Å; R75-E149 IonicContact NH1-OE2 2.64Å; R75-E149 PolarHBondContact NH1-OE2 3.4Å; R75-E149 IonicContact NH2-OE2 2.71Å; R75-E149 PolarHBondContact NH2-OE2 3.02Å
76G81.2Confident91.2Very high46 Ų4639.2 Ų39.247%0.47422%0.221SC..THydrogen-bonded Turntrans103.3-4.1176.300000115.6T74T74-G76 PolarHBondContact O-N 3.41Å
77D87.7Confident90.7Very high42 Ų4240.4 Ų40.423%0.22523%0.228CC..PPolyproline II helixtrans-55.5132167.4-79.9-39.2000110.3I72 T74I72-D77 HydrophobicContact CG2-CB 3.61Å; T74-D77 WeakPolarHBondContact CA-OD2 3.49Å; T74-D77 WeakPolarHBondContact CB-OD2 3.42Å; T74-D77 PolarHBondContact N-OD2 2.9Å; T74-D77 PolarHBondContact OG1-OD1 3.03Å; T74-D77 PolarHBondContact OG1-OD2 3.12Å
78P92.3Very high90.3Very high48 Ų4840 Ų4031%0.31223%0.228SC..PPolyproline II helixtrans-78.7160.1169.433.8-34.5000111.3V80 V95 V96P78-V80 HydrophobicContact CG-CG2 4.28Å; P78-V95 HydrophobicContact CB-CG1 3.85Å; P78-V95 HydrophobicContact CG-CG1 4.24Å; P78-V96 CarbonylContact C-O 3.53Å; P78-V96 WeakPolarHBondContact CA-O 3.2Å; P78-V96 WeakPolarHBondContact CB-O 3.32Å
79V94.7Very high90Very high0 Ų039.4 Ų39.40%022%0.224CC..EExtended strand (participates in β ladder)trans-88.6130.2161.3176.30000107.8V12 V14 I43 F70 I72 L81 V96 I101 I140V12-V79 HydrophobicContact CG1-CG2 4.44Å; V14-V79 HydrophobicContact CG2-CG1 4.11Å; I43-V79 HydrophobicContact CG2-CG1 4.4Å; F70-V79 HydrophobicContact CE2-CG2 3.98Å; F70-V79 HydrophobicContact CZ-CB 4.46Å; F70-V79 HydrophobicContact CZ-CG1 3.84Å; F70-V79 HydrophobicContact CZ-CG2 3.77Å; I72-V79 HydrophobicContact CD1-CG2 3.87Å; V79-L81 HydrophobicContact CG1-CD2 3.99Å; V79-V96 PolarHBondContact N-O 2.8Å; V79-V96 PolarHBondContact O-N 2.85Å; V79-I101 HydrophobicContact CG2-CD1 3.93Å; V79-I140 HydrophobicContact CB-CD1 4.13Å; V79-I140 HydrophobicContact CG1-CD1 4.09Å; V79-I140 HydrophobicContact CG2-CD1 4.22Å
80V95.3Very high89.9Confident24 Ų2437.6 Ų37.615%0.14521%0.211CC..EExtended strand (participates in β ladder)trans-119.5123.5177.3-174.30000110.2L44 P78 Q93 V94 V95L44-V80 HydrophobicContact CB-CB 4.19Å; L44-V80 HydrophobicContact CD1-CB 4.4Å; L44-V80 PolarHBondContact N-O 3.24Å; L44-V80 PolarHBondContact O-N 2.96Å; P78-V80 HydrophobicContact CG-CG2 4.28Å; V80-Q93 HydrophobicContact CG1-CB 4.09Å; V80-V94 CarbonylContact C-O 3.51Å; V80-V94 WeakPolarHBondContact CA-O 3.29Å; V80-V95 HydrophobicContact CG1-CG2 4.14Å; V80-V95 HydrophobicContact CG2-CG1 4.25Å; V80-V95 HydrophobicContact CG2-CG2 4.11Å
81L97Very high89.8Confident0 Ų037.5 Ų37.50%021%0.211CC..EExtended strand (participates in β ladder)trans-100.494.5176.3-48.3179.7000107.6V14 I43 V79 Q93 V94 L136 F138V14-L81 HydrophobicContact CG1-CD2 3.89Å; I43-L81 HydrophobicContact CB-CD2 4.36Å; I43-L81 HydrophobicContact CG1-CD2 3.94Å; I43-L81 HydrophobicContact CG2-CD2 4.03Å; V79-L81 HydrophobicContact CG1-CD2 3.99Å; L81-Q93 CarbonylContact O-C 3.5Å; L81-Q93 VanDerWaalsContact O-CA 3.25Å; L81-Q93 WeakPolarHBondContact O-CA 3.32Å; L81-V94 HydrophobicContact CB-CB 4.31Å; L81-V94 PolarHBondContact N-O 2.83Å; L81-V94 PolarHBondContact O-N 2.74Å; L81-L136 HydrophobicContact CB-CD2 3.73Å; L81-L136 HydrophobicContact CD1-CD2 3.73Å; L81-L136 HydrophobicContact CG-CD2 4.38Å; L81-F138 HydrophobicContact CD1-CB 4.32Å; L81-F138 HydrophobicContact CD1-CD1 3.8Å; L81-F138 HydrophobicContact CD1-CD2 3.6Å; L81-F138 HydrophobicContact CD1-CE1 3.94Å; L81-F138 HydrophobicContact CD1-CE2 3.74Å; L81-F138 HydrophobicContact CD1-CG 3.63Å; L81-F138 HydrophobicContact CD1-CZ 3.91Å
82L96Very high89.9Confident20 Ų2032.2 Ų32.211%0.10519%0.188CC..EExtended strand (participates in β ladder)trans-91.6115.7-177.2171.166.6000109.9V42 L44 H90 Q93 T126V42-L82 HydrophobicContact CB-CB 4.21Å; V42-L82 WeakPolarHBondContact CB-O 3.23Å; V42-L82 PolarHBondContact N-O 3.15Å; V42-L82 PolarHBondContact O-N 3.03Å; L44-L82 HydrophobicContact CD1-CB 4.39Å; L44-L82 HydrophobicContact CD1-CD2 4.4Å; L82-H90 HydrophobicContact CD1-CB 4.28Å; L82-Q93 HydrophobicContact CD1-CB 4.16Å; L82-T126 HydrophobicContact CD1-CG2 3.91Å
83V95.9Very high90.2Very high0 Ų034.1 Ų34.10%020%0.197CC..EExtended strand (participates in β ladder)trans-91.5131.9176.6-174.60000109.9L22 W64 V91 G92 M123 L136L22-V83 HydrophobicContact CD1-CG1 3.61Å; L22-V83 HydrophobicContact CD2-CG1 3.87Å; L22-V83 HydrophobicContact CG-CG1 4.39Å; W64-V83 HydrophobicContact CH2-CG1 4.18Å; V83-V91 HydrophobicContact CB-CB 4.34Å; V83-V91 HydrophobicContact CG1-CB 4.15Å; V83-V91 HydrophobicContact CG1-CG2 4.35Å; V83-V91 PolarHBondContact O-N 2.96Å; V83-G92 PolarHBondContact N-O 3.04Å; V83-M123 HydrophobicContact CB-SD 4.25Å; V83-M123 HydrophobicContact CG2-SD 3.85Å; V83-L136 HydrophobicContact CG2-CD1 4.28Å; V83-L136 HydrophobicContact CG2-CD2 4.47Å
84S93.6Very high90.9Very high1 Ų131.8 Ų31.81%0.00718%0.177CC..EExtended strand (participates in β ladder)trans-142.8160.6-177.9540000111.5K40 N89K40-S84 VanDerWaalsContact CE-OG 3.24Å; K40-S84 WeakPolarHBondContact CE-OG 3.48Å; K40-S84 VanDerWaalsContact CG-OG 3.26Å; K40-S84 WeakPolarHBondContact CG-OG 3.29Å; K40-S84 PolarHBondContact N-O 3Å; K40-S84 PolarHBondContact O-N 3.01Å; K40-S84 VanDerWaalsContact O-O 3.11Å; K40-S84 PolarHBondContact O-OG 3.32Å; S84-N89 CarbonylContact C-O 3.54Å; S84-N89 VanDerWaalsContact CA-O 3.23Å; S84-N89 WeakPolarHBondContact CA-O 3.26Å; S84-N89 VanDerWaalsContact CB-O 3.32Å; S84-N89 WeakPolarHBondContact CB-O 3.49Å
85D91.2Very high91.5Very high2 Ų230.3 Ų30.31%0.01117%0.168CC..EExtended strand (participates in β ladder)trans-83.5177.2170.975.90.3000112.1V24 S36 K38 W39 K40 E87 D88 N89V24-D85 HydrophobicContact CG2-CB 4.1Å; S36-D85 WeakPolarHBondContact CB-OD2 3.44Å; K38-D85 CarbonylContact O-C 3.55Å; K38-D85 VanDerWaalsContact O-CA 3.26Å; K38-D85 WeakPolarHBondContact O-CA 3.29Å; W39-D85 HydrophobicContact CE3-CB 4.21Å; W39-D85 HydrophobicContact CZ3-CB 4.28Å; K40-D85 VanDerWaalsContact CE-O 3.26Å; K40-D85 WeakPolarHBondContact CE-O 3.49Å; D85-E87 PolarHBondContact O-N 2.86Å; D85-E87 VanDerWaalsContact O-N 3.12Å; D85-E87 VanDerWaalsContact OD1-C 3.32Å; D85-E87 WeakPolarHBondContact OD1-CA 3.46Å; D85-E87 WeakPolarHBondContact OD1-CB 3.45Å; D85-E87 PolarHBondContact OD1-N 2.88Å; D85-D88 PolarHBondContact O-N 3.37Å; D85-D88 VanDerWaalsContact O-N 3.15Å; D85-D88 PolarHBondContact OD1-N 3.39Å; D85-D88 VanDerWaalsContact OD1-N 3.07Å; D85-N89 PolarHBondContact N-O 3.41Å; D85-N89 WeakPolarHBondContact OD1-CB 3.4Å; D85-N89 PolarHBondContact OD1-N 2.97Å; D85-N89 PolarHBondContact OD1-ND2 3.01Å; D85-N89 WeakPolarHBondContact OD2-CB 3.44Å; D85-N89 PolarHBondContact OD2-ND2 3.29Å
86S87.9Confident92Very high53 Ų5325.2 Ų25.237%0.37115%0.15SC..THydrogen-bonded Turntrans-62.3-13.5176.263.40000114.8S36 K38S36-S86 PolarHBondContact OG-OG 2.86Å; K38-S86 PolarHBondContact O-N 2.89Å
87E85.8Confident92.5Very high86 Ų8625.9 Ų25.940%0.40215%0.146SC..THydrogen-bonded Turntrans-101.89178.2-56.7-170.4150.400113K33 D85 N89K33-E87 VanDerWaalsContact CE-OE2 3.29Å; K33-E87 WeakPolarHBondContact CE-OE2 3.45Å; K33-E87 IonicContact NZ-OE1 2.71Å; K33-E87 IonicContact NZ-OE2 3.3Å; K33-E87 PolarHBondContact NZ-OE2 3.22Å; D85-E87 PolarHBondContact O-N 2.86Å; D85-E87 VanDerWaalsContact O-N 3.12Å; D85-E87 VanDerWaalsContact OD1-C 3.32Å; D85-E87 WeakPolarHBondContact OD1-CA 3.46Å; D85-E87 WeakPolarHBondContact OD1-CB 3.45Å; D85-E87 PolarHBondContact OD1-N 2.88Å; E87-N89 PolarHBondContact O-N 3.07Å; E87-N89 PolarHBondContact OE2-ND2 2.79Å; E87-N89 VanDerWaalsContact OE2-ND2 3.17Å
88D87.3Confident92.5Very high69 Ų6924.2 Ų24.237%0.36914%0.138SC..  trans60.224.4-174-72.2-80.8000114.3K40 D85 K128K40-D88 VanDerWaalsContact CE-OD1 3.31Å; K40-D88 WeakPolarHBondContact CE-OD1 3.36Å; K40-D88 IonicContact NZ-OD1 3.88Å; K40-D88 PolarHBondContact NZ-OD1 2.93Å; K40-D88 IonicContact NZ-OD2 2.84Å; K40-D88 PolarHBondContact NZ-OD2 2.86Å; D85-D88 PolarHBondContact O-N 3.37Å; D85-D88 VanDerWaalsContact O-N 3.15Å; D85-D88 PolarHBondContact OD1-N 3.39Å; D85-D88 VanDerWaalsContact OD1-N 3.07Å; D88-K128 PolarHBondContact O-NZ 2.84Å
89N88.1Confident92.3Very high14 Ų1425.8 Ų25.88%0.07515%0.147CC..  trans-72.2133.6158.6-52.8-66.4000108.1V24 R27 S84 D85 E87V24-N89 HydrophobicContact CG1-CB 3.77Å; V24-N89 HydrophobicContact CG2-CB 4.45Å; R27-N89 PolarHBondContact NH1-OD1 3.43Å; S84-N89 CarbonylContact C-O 3.54Å; S84-N89 VanDerWaalsContact CA-O 3.23Å; S84-N89 WeakPolarHBondContact CA-O 3.26Å; S84-N89 VanDerWaalsContact CB-O 3.32Å; S84-N89 WeakPolarHBondContact CB-O 3.49Å; D85-N89 PolarHBondContact N-O 3.41Å; D85-N89 WeakPolarHBondContact OD1-CB 3.4Å; D85-N89 PolarHBondContact OD1-N 2.97Å; D85-N89 PolarHBondContact OD1-ND2 3.01Å; D85-N89 WeakPolarHBondContact OD2-CB 3.44Å; D85-N89 PolarHBondContact OD2-ND2 3.29Å; E87-N89 PolarHBondContact O-N 3.07Å; E87-N89 PolarHBondContact OE2-ND2 2.79Å; E87-N89 VanDerWaalsContact OE2-ND2 3.17Å
90H91.3Very high92Very high27 Ų2730 Ų3013%0.12517%0.173CC..EExtended strand (participates in β ladder)trans-85.8136.6-178.9-61.3177000110.8L82 T126 K128 T129L82-H90 HydrophobicContact CD1-CB 4.28Å; H90-T126 HydrophobicContact CB-CG2 4.11Å; H90-T126 WeakPolarHBondContact CB-OG1 3.04Å; H90-T126 PolarHBondContact ND1-OG1 2.9Å; H90-K128 HydrophobicContact CB-CB 4.27Å; H90-K128 PolarHBondContact CD2-NZ 2.78Å; H90-K128 VanDerWaalsContact CD2-NZ 3.34Å; H90-K128 VanDerWaalsContact NE2-CE 3.34Å; H90-K128 WeakPolarHBondContact NE2-CE 3.17Å; H90-K128 PolarHBondContact NE2-NZ 2.83Å; H90-T129 WeakPolarHBondContact CB-OG1 3.17Å; H90-T129 PolarHBondContact O-OG1 2.9Å
91V91.5Very high91.8Very high0 Ų029.2 Ų29.20%017%0.168CC..EExtended strand (participates in β ladder)trans-89.6-39.8172.2177.50000111.1L22 V24 W39 V83 G132 F133L22-V91 HydrophobicContact CB-CG1 4.12Å; L22-V91 HydrophobicContact CD2-CG1 3.82Å; V24-V91 HydrophobicContact CG2-CG2 4.1Å; W39-V91 HydrophobicContact CE3-CG2 3.76Å; W39-V91 HydrophobicContact CH2-CG2 4.46Å; W39-V91 HydrophobicContact CZ3-CG2 3.39Å; V83-V91 HydrophobicContact CB-CB 4.34Å; V83-V91 HydrophobicContact CG1-CB 4.15Å; V83-V91 HydrophobicContact CG1-CG2 4.35Å; V83-V91 PolarHBondContact O-N 2.96Å; V91-G132 WeakPolarHBondContact O-CA 3.25Å; V91-F133 HydrophobicContact CG1-CB 4.4Å; V91-F133 VanDerWaalsContact CG1-O 3.28Å; V91-F133 WeakPolarHBondContact CG1-O 3.25Å; V91-F133 PolarHBondContact O-N 3.15Å
92G94.2Very high91.5Very high0 Ų031.9 Ų31.90%019%0.185CC..EExtended strand (participates in β ladder)trans169177.6-171.800000110.9V83 E124 T126V83-G92 PolarHBondContact N-O 3.04Å; G92-E124 CarbonylContact C-O 3.56Å; G92-E124 VanDerWaalsContact CA-O 3.29Å; G92-E124 WeakPolarHBondContact CA-O 3.35Å; G92-T126 VanDerWaalsContact C-CG2 3.48Å
93Q96Very high91.2Very high45 Ų4534.4 Ų34.421%0.2120%0.203CC..EExtended strand (participates in β ladder)trans-142.4160.6175.168.4-175.635.400111.6V80 L81 L82 V95 E124 Q125 T126V80-Q93 HydrophobicContact CG1-CB 4.09Å; L81-Q93 CarbonylContact O-C 3.5Å; L81-Q93 VanDerWaalsContact O-CA 3.25Å; L81-Q93 WeakPolarHBondContact O-CA 3.32Å; L82-Q93 HydrophobicContact CD1-CB 4.16Å; Q93-V95 HydrophobicContact CG-CG2 4.35Å; Q93-E124 HydrophobicContact CG-CB 4.11Å; Q93-E124 PolarHBondContact N-O 3.07Å; Q93-E124 WeakPolarHBondContact O-CA 3.38Å; Q93-E124 VanDerWaalsContact O-CB 3.32Å; Q93-E124 WeakPolarHBondContact O-CB 3.25Å; Q93-E124 PolarHBondContact O-N 2.96Å; Q93-Q125 WeakPolarHBondContact CG-O 3.35Å; Q93-Q125 PolarHBondContact NE2-O 3.43Å; Q93-T126 HydrophobicContact CB-CG2 4.02Å; Q93-T126 HydrophobicContact CG-CG2 4.03Å
94V96.2Very high90.9Very high0 Ų038.4 Ų38.40%022%0.22CC..EExtended strand (participates in β ladder)trans-120.2131.2164.9162.80000108.6V80 L81 V96 M121 M123 F138V80-V94 CarbonylContact C-O 3.51Å; V80-V94 WeakPolarHBondContact CA-O 3.29Å; L81-V94 HydrophobicContact CB-CB 4.31Å; L81-V94 PolarHBondContact N-O 2.83Å; L81-V94 PolarHBondContact O-N 2.74Å; V94-V96 HydrophobicContact CG1-CG2 3.99Å; V94-M121 HydrophobicContact CG1-CB 4.2Å; V94-M121 HydrophobicContact CG1-CE 3.92Å; V94-M121 HydrophobicContact CG1-CG 4.41Å; V94-M121 HydrophobicContact CG1-SD 3.43Å; V94-M121 WeakPolarHBondContact CG1-SD 3.4Å; V94-M121 HydrophobicContact CG2-CB 3.73Å; V94-M123 HydrophobicContact CG2-CE 3.49Å; V94-M123 VanDerWaalsContact CG2-CE 3.49Å; V94-F138 HydrophobicContact CG1-CE1 3.97Å; V94-F138 HydrophobicContact CG1-CZ 3.91Å
95V94.8Very high90.5Very high41 Ų4140.1 Ų40.125%0.24823%0.231CC..EExtended strand (participates in β ladder)trans-111.8111.5179.9-178.50000109.2P78 V80 Q93 P97 E124P78-V95 HydrophobicContact CB-CG1 3.85Å; P78-V95 HydrophobicContact CG-CG1 4.24Å; V80-V95 HydrophobicContact CG1-CG2 4.14Å; V80-V95 HydrophobicContact CG2-CG1 4.25Å; V80-V95 HydrophobicContact CG2-CG2 4.11Å; Q93-V95 HydrophobicContact CG-CG2 4.35Å; V95-P97 WeakPolarHBondContact O-CD 3.25Å; V95-E124 WeakPolarHBondContact CG2-OE2 3.38Å
96V94Very high89.8Confident12 Ų1247 Ų477%0.07327%0.273CS..EExtended strand (participates in β ladder)trans-102.5111.3176.6-1700000109.3P78 V79 V94 G98 I101 F138 I140P78-V96 CarbonylContact C-O 3.53Å; P78-V96 WeakPolarHBondContact CA-O 3.2Å; P78-V96 WeakPolarHBondContact CB-O 3.32Å; V79-V96 PolarHBondContact N-O 2.8Å; V79-V96 PolarHBondContact O-N 2.85Å; V94-V96 HydrophobicContact CG1-CG2 3.99Å; V96-G98 PolarHBondContact O-N 2.88Å; V96-I101 HydrophobicContact CG1-CG1 3.82Å; V96-F138 HydrophobicContact CG2-CE2 4Å; V96-F138 HydrophobicContact CG2-CZ 3.89Å; V96-I140 HydrophobicContact CB-CD1 4.39Å; V96-I140 HydrophobicContact CG1-CD1 4.28Å
97P91.9Very high89.2Confident60 Ų6048.5 Ų48.539%0.3928%0.277SS..  trans-59.9134.5174.2-22.933.2000111.5V95 V99 T100V95-P97 WeakPolarHBondContact O-CD 3.25Å; P97-V99 HydrophobicContact CB-CG2 4.26Å; P97-V99 PolarHBondContact O-N 2.92Å; P97-T100 HydrophobicContact CB-CG2 4.31Å; P97-T100 WeakPolarHBondContact CD-OG1 3.16Å; P97-T100 HydrophobicContact CG-CG2 4.48Å; P97-T100 PolarHBondContact O-N 2.9Å; P97-T100 PolarHBondContact O-OG1 2.79Å
98G88.6Confident88.6Confident6 Ų650.8 Ų50.86%0.06230%0.3CS..THydrogen-bonded Turntrans-58.5-18.9-178.700000115.1P9 V96P9-G98 WeakPolarHBondContact CD-O 3.48Å; P9-G98 WeakPolarHBondContact CG-O 3.44Å; V96-G98 PolarHBondContact O-N 2.88Å
99V86.2Confident87.7Confident81 Ų8152 Ų5249%0.49131%0.314SS..THydrogen-bonded Turntrans-86.7-9.8177.3-60.30000114.4I6 P97I6-V99 HydrophobicContact CG2-CB 4.27Å; I6-V99 HydrophobicContact CG2-CG1 3.57Å; P97-V99 HydrophobicContact CB-CG2 4.26Å; P97-V99 PolarHBondContact O-N 2.92Å
100T89.2Confident86.8Confident89 Ų8954.2 Ų54.255%0.54633%0.327SS..SBendtrans-104.94.2176.562.70000112.8P97P97-T100 HydrophobicContact CB-CG2 4.31Å; P97-T100 WeakPolarHBondContact CD-OG1 3.16Å; P97-T100 HydrophobicContact CG-CG2 4.48Å; P97-T100 PolarHBondContact O-N 2.9Å; P97-T100 PolarHBondContact O-OG1 2.79Å
101I91.5Very high86.1Confident8 Ų856 Ų564%0.04134%0.343CS..PPolyproline II helixtrans-78.1123.7177.5-57177.3000108.4V12 V79 V96 I140 V142V12-I101 HydrophobicContact CG1-CD1 4.14Å; V12-I101 HydrophobicContact CG1-CG2 4.44Å; V12-I101 HydrophobicContact CG2-CD1 4.01Å; V79-I101 HydrophobicContact CG2-CD1 3.93Å; V96-I101 HydrophobicContact CG1-CG1 3.82Å; I101-I140 HydrophobicContact CD1-CD1 3.8Å; I101-I140 HydrophobicContact CD1-CG1 4.39Å; I101-I140 HydrophobicContact CG1-CD1 4.08Å; I101-I140 HydrophobicContact CG2-CD1 4.38Å; I101-I140 HydrophobicContact CG2-CG1 3.9Å; I101-I140 HydrophobicContact CG2-CG2 4.45Å; I101-V142 HydrophobicContact CB-CG2 3.88Å; I101-V142 HydrophobicContact CG2-CG2 3.59Å
102P90.6Very high85.4Confident55 Ų5558.4 Ų58.436%0.35736%0.356SS..PPolyproline II helixtrans-68.7153.5179.729.8-35.5000111.1I140 W141 V142P102-I140 WeakPolarHBondContact CG-O 3.45Å; P102-W141 CarbonylContact O-C 3.59Å; P102-W141 VanDerWaalsContact O-CA 3.26Å; P102-W141 WeakPolarHBondContact O-CA 3.36Å; P102-V142 PolarHBondContact O-N 2.85Å
103P90.1Very high84.8Confident74 Ų7460.5 Ų60.548%0.48137%0.368SS..BIsolated β-bridgetrans-62.8160.3169.529.5-36000111.1R117 Y145P103-R117 PolarHBondContact O-NH2 2.64Å; P103-Y145 HydrophobicContact CB-CE2 4.12Å
104K89.6Confident84Confident83 Ų8363.2 Ų63.236%0.36138%0.381SS..PPolyproline II helixtrans-56.7136.6158.9-161166.2-169.4159.30109.3L112 V142 E143K104-L112 HydrophobicContact CG-CD2 3.8Å; K104-V142 WeakPolarHBondContact CB-O 3.47Å; K104-V142 PolarHBondContact N-O 3.25Å; K104-E143 VanDerWaalsContact CD-OE2 3.28Å; K104-E143 WeakPolarHBondContact CD-OE2 3.4Å; K104-E143 IonicContact NZ-OE1 3.56Å; K104-E143 PolarHBondContact NZ-OE1 3.07Å; K104-E143 IonicContact NZ-OE2 3.49Å; K104-E143 PolarHBondContact NZ-OE2 2.69Å
105P84.1Confident83.5Confident37 Ų3769.1 Ų69.124%0.2441%0.412CS..PPolyproline II helixtrans-61.1136.9171.5-17.232.2000109.9D107 V110 L112P105-D107 VanDerWaalsContact C-N 3.32Å; P105-V110 HydrophobicContact CB-CB 4.24Å; P105-V110 HydrophobicContact CB-CG1 4.29Å; P105-V110 HydrophobicContact CG-CG1 4.25Å; P105-L112 VanDerWaalsContact CD-CD2 3.45Å; P105-L112 HydrophobicContact CG-CD2 4.17Å
106T77.9Confident82.9Confident147 Ų14771.9 Ų71.990%0.90243%0.433SS*.SBendtrans-78.3-21.9175.1-35.70000112.2
107D74.7Confident82.6Confident84 Ų8473.5 Ų73.545%0.44944%0.438SS..  trans-85.4119.2-178.3-173-26.8000110.4P105 S109 V110P105-D107 VanDerWaalsContact C-N 3.32Å; D107-S109 PolarHBondContact O-N 3.02Å; D107-S109 VanDerWaalsContact OD1-CB 3.29Å; D107-S109 WeakPolarHBondContact OD1-CB 3.4Å; D107-S109 PolarHBondContact OD1-N 3.42Å; D107-S109 PolarHBondContact OD1-OG 3.24Å; D107-S109 PolarHBondContact OD2-OG 3.07Å; D107-V110 HydrophobicContact CB-CG2 4.06Å; D107-V110 PolarHBondContact O-N 2.71Å
108P72.1Confident82.6Confident134 Ų13472.3 Ų72.387%0.8743%0.429SS*.THydrogen-bonded Turntrans-70.8-15.1-179.130.4-36000113.9V110P108-V110 VanDerWaalsContact C-N 3.31Å
109S68.5Low82.8Confident95 Ų9574 Ų7466%0.66444%0.439SS*.THydrogen-bonded Turntrans-73.5-24.7174.571.30000112.6D107 S111D107-S109 PolarHBondContact O-N 3.02Å; D107-S109 VanDerWaalsContact OD1-CB 3.29Å; D107-S109 WeakPolarHBondContact OD1-CB 3.4Å; D107-S109 PolarHBondContact OD1-N 3.42Å; D107-S109 PolarHBondContact OD1-OG 3.24Å; D107-S109 PolarHBondContact OD2-OG 3.07Å; S109-S111 PolarHBondContact O-N 3.34Å; S109-S111 VanDerWaalsContact O-N 3.17Å
110V70.5Confident83.3Confident60 Ų6074.6 Ų74.636%0.36444%0.438SS..SBendtrans-83.796-178.7-177.90000109.8P105 D107 P108 L112P105-V110 HydrophobicContact CB-CB 4.24Å; P105-V110 HydrophobicContact CB-CG1 4.29Å; P105-V110 HydrophobicContact CG-CG1 4.25Å; D107-V110 HydrophobicContact CB-CG2 4.06Å; D107-V110 PolarHBondContact O-N 2.71Å; P108-V110 VanDerWaalsContact C-N 3.31Å; V110-L112 PolarHBondContact O-N 2.96Å
111S76.2Confident83.5Confident64 Ų6473.7 Ų73.745%0.44843%0.429SS..  trans-48.7126.8174.4176.20000111.8S109 T113 H114S109-S111 PolarHBondContact O-N 3.34Å; S109-S111 VanDerWaalsContact O-N 3.17Å; S111-T113 PolarHBondContact O-N 3.08Å; S111-T113 VanDerWaalsContact O-N 3.14Å; S111-T113 PolarHBondContact OG-OG1 3.46Å; S111-H114 VanDerWaalsContact O-CB 3.25Å; S111-H114 WeakPolarHBondContact O-CB 3.41Å; S111-H114 PolarHBondContact O-N 3.5Å
112L77.3Confident83.7Confident52 Ų5277.2 Ų77.227%0.27245%0.445SS..THydrogen-bonded Turntrans-56.4-33.5-178.7-68.4170.9000112.2K104 P105 V110 R117 W141K104-L112 HydrophobicContact CG-CD2 3.8Å; P105-L112 VanDerWaalsContact CD-CD2 3.45Å; P105-L112 HydrophobicContact CG-CD2 4.17Å; V110-L112 PolarHBondContact O-N 2.96Å; L112-R117 PolarHBondContact O-NH1 2.71Å; L112-W141 HydrophobicContact CB-CH2 4.06Å; L112-W141 HydrophobicContact CB-CZ2 4.25Å; L112-W141 HydrophobicContact CB-CZ3 4.32Å; L112-W141 HydrophobicContact CD1-CH2 4.45Å; L112-W141 HydrophobicContact CD1-CZ2 3.9Å; L112-W141 HydrophobicContact CD2-CD2 4.47Å; L112-W141 HydrophobicContact CD2-CZ2 4.48Å; L112-W141 HydrophobicContact CG-CZ2 4.45Å
113T80.1Confident83.8Confident43 Ų4375.3 Ų75.326%0.26443%0.432SS..THydrogen-bonded Turntrans-98.921.7179.561.60000113.1R15 S111 W139R15-T113 VanDerWaalsContact CD-CG2 3.47Å; S111-T113 PolarHBondContact O-N 3.08Å; S111-T113 VanDerWaalsContact O-N 3.14Å; S111-T113 PolarHBondContact OG-OG1 3.46Å; T113-W139 HydrophobicContact CG2-CD2 4.32Å; T113-W139 HydrophobicContact CG2-CE3 4.3Å; T113-W139 WeakPolarHBondContact O-CZ2 3.28Å; T113-W139 PolarHBondContact O-NE1 3.05Å
114H79.2Confident83.9Confident102 Ų10276.2 Ų76.247%0.47243%0.429SS..  trans-62.1145.6174-170.7-106000111.2S111 S116 R117 W139S111-H114 VanDerWaalsContact O-CB 3.25Å; S111-H114 WeakPolarHBondContact O-CB 3.41Å; S111-H114 PolarHBondContact O-N 3.5Å; H114-S116 PolarHBondContact ND1-N 3.02Å; H114-S116 PolarHBondContact ND1-OG 2.91Å; H114-S116 PolarHBondContact O-N 3.29Å; H114-S116 VanDerWaalsContact O-N 3.16Å; H114-R117 PolarHBondContact O-N 2.75Å; H114-W139 PolarHBondContact O-NE1 2.97Å
115N85.3Confident84Confident124 Ų12478.5 Ų78.566%0.66344%0.441SS*.G310 helixtrans-59.6-30.4-174.4-74.3-24.3000113.1R117 L118N115-R117 PolarHBondContact O-N 3.06Å; N115-L118 VanDerWaalsContact O-CB 3.29Å; N115-L118 WeakPolarHBondContact O-CB 3.23Å; N115-L118 PolarHBondContact O-N 3.17Å; N115-L118 VanDerWaalsContact O-N 3.15Å
116S82.7Confident84.3Confident99 Ų9977.4 Ų77.469%0.69243%0.434SS*.G310 helixtrans-66.6-12.7176.264.10000114.8H114H114-S116 PolarHBondContact ND1-N 3.02Å; H114-S116 PolarHBondContact ND1-OG 2.91Å; H114-S116 PolarHBondContact O-N 3.29Å; H114-S116 VanDerWaalsContact O-N 3.16Å
117R87.2Confident84.8Confident46 Ų4680.8 Ų80.817%0.17444%0.436CS..G310 helixtrans-104.72.6176-57.7-175.678-124.37.6113.1P103 L112 H114 N115 C119 W139P103-R117 PolarHBondContact O-NH2 2.64Å; L112-R117 PolarHBondContact O-NH1 2.71Å; H114-R117 PolarHBondContact O-N 2.75Å; N115-R117 PolarHBondContact O-N 3.06Å; R117-C119 PolarHBondContact O-N 3.3Å; R117-W139 VanDerWaalsContact C-CD1 3.42Å; R117-W139 VanDerWaalsContact O-CD1 3.26Å
118L93Very high85.3Confident36 Ų3682.4 Ų82.419%0.18844%0.439CS..  trans-75.4112.3-176.4-178.757.5000110.6N115 I120 Y137 W139N115-L118 VanDerWaalsContact O-CB 3.29Å; N115-L118 WeakPolarHBondContact O-CB 3.23Å; N115-L118 PolarHBondContact O-N 3.17Å; N115-L118 VanDerWaalsContact O-N 3.15Å; L118-I120 HydrophobicContact CG-CG1 4.27Å; L118-Y137 HydrophobicContact CD2-CD1 4.18Å; L118-W139 HydrophobicContact CB-CZ2 4.26Å; L118-W139 HydrophobicContact CD1-CD2 3.9Å; L118-W139 HydrophobicContact CD1-CE3 4.16Å; L118-W139 HydrophobicContact CD1-CH2 4.12Å; L118-W139 HydrophobicContact CD1-CZ2 3.82Å; L118-W139 HydrophobicContact CD1-CZ3 4.29Å; L118-W139 HydrophobicContact CD2-CZ2 4.39Å; L118-W139 HydrophobicContact CG-CZ2 4.39Å
119C93.5Very high85.8Confident41 Ų4176.6 Ų76.628%0.27740%0.401SS..EExtended strand (participates in β ladder)trans-76.3124.2172-58.70000109.8R117 Y137 F138R117-C119 PolarHBondContact O-N 3.3Å; C119-Y137 WeakPolarHBondContact O-CA 3.19Å; C119-F138 WeakPolarHBondContact CA-O 3.44Å; C119-F138 HydrophobicContact CB-CD1 4.07Å; C119-F138 HydrophobicContact CB-CD2 4.03Å; C119-F138 HydrophobicContact CB-CE1 3.7Å; C119-F138 HydrophobicContact CB-CE2 3.66Å; C119-F138 HydrophobicContact CB-CG 4.23Å; C119-F138 HydrophobicContact CB-CZ 3.48Å; C119-F138 VanDerWaalsContact CB-CZ 3.48Å; C119-F138 VanDerWaalsContact CB-O 3.29Å; C119-F138 WeakPolarHBondContact CB-O 3.42Å; C119-F138 PolarHBondContact N-O 2.85Å; C119-F138 PolarHBondContact O-N 3.24Å
120I95.3Very high86.5Confident94 Ų9480.3 Ų80.348%0.48241%0.408SS..EExtended strand (participates in β ladder)trans-117.1117.3174.1-51.5173.6000107.1L118 Y137L118-I120 HydrophobicContact CG-CG1 4.27Å; I120-Y137 HydrophobicContact CB-CE1 4.38Å; I120-Y137 HydrophobicContact CD1-CD1 4.06Å; I120-Y137 HydrophobicContact CD1-CE1 3.66Å; I120-Y137 HydrophobicContact CG1-CD1 3.72Å; I120-Y137 HydrophobicContact CG1-CE1 3.74Å; I120-Y137 HydrophobicContact CG2-CD1 4.24Å; I120-Y137 HydrophobicContact CG2-CE1 3.77Å; I120-Y137 HydrophobicContact CG2-CE2 4.21Å
121M94.7Very high87.1Confident70 Ų7081.1 Ų81.135%0.34541%0.41SS..EExtended strand (participates in β ladder)trans-135.2138.5-176.4-65.9-174.973.500112.2V94 R135 L136 F138V94-M121 HydrophobicContact CG1-CB 4.2Å; V94-M121 HydrophobicContact CG1-CE 3.92Å; V94-M121 HydrophobicContact CG1-CG 4.41Å; V94-M121 HydrophobicContact CG1-SD 3.43Å; V94-M121 WeakPolarHBondContact CG1-SD 3.4Å; V94-M121 HydrophobicContact CG2-CB 3.73Å; M121-R135 CarbonylContact O-C 3.54Å; M121-R135 VanDerWaalsContact O-CA 3.3Å; M121-R135 WeakPolarHBondContact O-CA 3.49Å; M121-L136 PolarHBondContact N-O 2.75Å; M121-L136 VanDerWaalsContact N-O 3.09Å; M121-L136 PolarHBondContact O-N 2.84Å; M121-F138 HydrophobicContact CB-CE1 4.36Å; M121-F138 HydrophobicContact CG-CE1 4.16Å; M121-F138 HydrophobicContact CG-CZ 4.44Å; M121-F138 HydrophobicContact SD-CE1 4.06Å; M121-F138 HydrophobicContact SD-CZ 3.8Å
122E94.3Very high87.6Confident82 Ų8278.8 Ų78.838%0.38340%0.395SS..EExtended strand (participates in β ladder)trans-68.2147.6170.3-53.8-159.8137.800110.4E124 R135 K324E122-E124 PolarHBondContact O-N 2.84Å; E122-R135 HydrophobicContact CG-CG 4.27Å; E122-R135 IonicContact OE1-CZ 3.79Å; E122-R135 IonicContact OE1-NE 2.73Å; E122-R135 PolarHBondContact OE1-NE 3.15Å; E122-R135 IonicContact OE1-NH2 2.81Å; E122-R135 PolarHBondContact OE1-NH2 3.08Å; E122-K324 IonicContact OE2-NZ 3.28Å; E122-K324 PolarHBondContact OE2-NZ 2.8Å
123M94.2Very high88.2Confident15 Ų1578.1 Ų78.17%0.07439%0.39CS..PPolyproline II helixtrans-66.8123.2176-75.7-54.695.700112.5V83 V94 G132 F133 G134 L136V83-M123 HydrophobicContact CB-SD 4.25Å; V83-M123 HydrophobicContact CG2-SD 3.85Å; V94-M123 HydrophobicContact CG2-CE 3.49Å; V94-M123 VanDerWaalsContact CG2-CE 3.49Å; M123-G132 WeakPolarHBondContact O-CA 3.29Å; M123-F133 VanDerWaalsContact CG-O 3.25Å; M123-F133 WeakPolarHBondContact CG-O 3.43Å; M123-G134 PolarHBondContact N-O 3.38Å; M123-L136 HydrophobicContact CE-CB 3.35Å; M123-L136 HydrophobicContact CE-CD2 4.43Å; M123-L136 HydrophobicContact CE-CG 4.46Å
124E92.4Very high88.7Confident92 Ų9277 Ų7743%0.4339%0.387SS..BIsolated β-bridgetrans-78159.6166.2-57.4-167.8144.400112G92 Q93 V95 E122G92-E124 CarbonylContact C-O 3.56Å; G92-E124 VanDerWaalsContact CA-O 3.29Å; G92-E124 WeakPolarHBondContact CA-O 3.35Å; Q93-E124 HydrophobicContact CG-CB 4.11Å; Q93-E124 PolarHBondContact N-O 3.07Å; Q93-E124 WeakPolarHBondContact O-CA 3.38Å; Q93-E124 VanDerWaalsContact O-CB 3.32Å; Q93-E124 WeakPolarHBondContact O-CB 3.25Å; Q93-E124 PolarHBondContact O-N 2.96Å; V95-E124 WeakPolarHBondContact CG2-OE2 3.38Å; E122-E124 PolarHBondContact O-N 2.84Å
125Q90.4Very high89.5Confident132 Ų13277.2 Ų77.262%0.61738%0.384SS*.PPolyproline II helixtrans-58.5154.1169.462.3175.3-25.900112.8Q93 T129 E130Q93-Q125 WeakPolarHBondContact CG-O 3.35Å; Q93-Q125 PolarHBondContact NE2-O 3.43Å; Q125-T129 WeakPolarHBondContact CA-O 3.14Å; Q125-E130 WeakPolarHBondContact CB-O 3.06Å
126T90.7Very high90.1Very high13 Ų1371.3 Ų71.38%0.0835%0.352CS..BIsolated β-bridgetrans-126.2167.517590.50000111L82 H90 G92 Q93 K128 T129L82-T126 HydrophobicContact CD1-CG2 3.91Å; H90-T126 HydrophobicContact CB-CG2 4.11Å; H90-T126 WeakPolarHBondContact CB-OG1 3.04Å; H90-T126 PolarHBondContact ND1-OG1 2.9Å; G92-T126 VanDerWaalsContact C-CG2 3.48Å; Q93-T126 HydrophobicContact CB-CG2 4.02Å; Q93-T126 HydrophobicContact CG-CG2 4.03Å; T126-K128 PolarHBondContact O-N 2.95Å; T126-K128 PolarHBondContact OG1-N 2.77Å; T126-K128 VanDerWaalsContact OG1-N 3.13Å; T126-T129 PolarHBondContact N-O 2.97Å; T126-T129 CarbonylContact O-C 3.59Å; T126-T129 PolarHBondContact O-N 2.96Å; T126-T129 VanDerWaalsContact O-O 3.07Å; T126-T129 PolarHBondContact OG1-N 2.97Å
127K87.6Confident90.8Very high218 Ų21867.9 Ų67.995%0.94833%0.325SS*.THydrogen-bonded Turntrans-57.5-11.4173.7-65.9-176.3178.7178.80115.4
128K85.8Confident91.2Very high119 Ų11965.7 Ų65.752%0.51732%0.316SS..THydrogen-bonded Turntrans-110.1-11.3174.9-64.7-173.1-171.2153.70113.8D88 H90 T126D88-K128 PolarHBondContact O-NZ 2.84Å; H90-K128 HydrophobicContact CB-CB 4.27Å; H90-K128 PolarHBondContact CD2-NZ 2.78Å; H90-K128 VanDerWaalsContact CD2-NZ 3.34Å; H90-K128 VanDerWaalsContact NE2-CE 3.34Å; H90-K128 WeakPolarHBondContact NE2-CE 3.17Å; H90-K128 PolarHBondContact NE2-NZ 2.83Å; T126-K128 PolarHBondContact O-N 2.95Å; T126-K128 PolarHBondContact OG1-N 2.77Å; T126-K128 VanDerWaalsContact OG1-N 3.13Å
129T83.7Confident91.4Very high11 Ų1164.7 Ų64.77%0.06731%0.31CS..BIsolated β-bridgetrans-147.9109.5-164.2-37.30000109.7A25 H90 Q125 T126 I131A25-T129 HydrophobicContact CB-CG2 3.62Å; H90-T129 WeakPolarHBondContact CB-OG1 3.17Å; H90-T129 PolarHBondContact O-OG1 2.9Å; Q125-T129 WeakPolarHBondContact CA-O 3.14Å; T126-T129 PolarHBondContact N-O 2.97Å; T126-T129 CarbonylContact O-C 3.59Å; T126-T129 PolarHBondContact O-N 2.96Å; T126-T129 VanDerWaalsContact O-O 3.07Å; T126-T129 PolarHBondContact OG1-N 2.97Å; T129-I131 VanDerWaalsContact C-N 3.25Å; T129-I131 WeakPolarHBondContact CG2-O 3.28Å; T129-I131 PolarHBondContact O-N 2.9Å
130E83Confident91.5Very high174 Ų17463 Ų6381%0.81330%0.298SS*.SBendtrans-69.4-21.3-173.5-60.9177.6172.300113.5Q125Q125-E130 WeakPolarHBondContact CB-O 3.06Å
131I82.5Confident91.5Very high77 Ų7758.5 Ų58.540%0.39528%0.275SS..SBendtrans-128.7123.4179.3-59.1175.1000108T129 F133T129-I131 VanDerWaalsContact C-N 3.25Å; T129-I131 WeakPolarHBondContact CG2-O 3.28Å; T129-I131 PolarHBondContact O-N 2.9Å; I131-F133 HydrophobicContact CB-CD2 4.46Å; I131-F133 HydrophobicContact CB-CE2 3.78Å; I131-F133 HydrophobicContact CB-CZ 4.26Å; I131-F133 HydrophobicContact CG2-CD2 4.05Å; I131-F133 HydrophobicContact CG2-CE1 4.39Å; I131-F133 HydrophobicContact CG2-CE2 3.55Å; I131-F133 HydrophobicContact CG2-CZ 3.75Å; I131-F133 WeakPolarHBondContact O-CD2 3.23Å
132G87.5Confident91.4Very high14 Ų1455.3 Ų55.314%0.14426%0.259CS..  trans-77.3141.1167.100000111.1V91 M123V91-G132 WeakPolarHBondContact O-CA 3.25Å; M123-G132 WeakPolarHBondContact O-CA 3.29Å
133F88.3Confident91.3Very high38 Ų3854.6 Ų54.617%0.16726%0.256CS..  trans-122.2129.2178.1-71.3-95.6000111.7R23 A25 V91 M123 I131R23-F133 HydrophobicContact CB-CB 4.01Å; R23-F133 HydrophobicContact CB-CD1 4.31Å; R23-F133 HydrophobicContact CB-CG 4.16Å; R23-F133 WeakPolarHBondContact O-CB 3.46Å; A25-F133 HydrophobicContact CB-CE2 3.97Å; V91-F133 HydrophobicContact CG1-CB 4.4Å; V91-F133 VanDerWaalsContact CG1-O 3.28Å; V91-F133 WeakPolarHBondContact CG1-O 3.25Å; V91-F133 PolarHBondContact O-N 3.15Å; M123-F133 VanDerWaalsContact CG-O 3.25Å; M123-F133 WeakPolarHBondContact CG-O 3.43Å; I131-F133 HydrophobicContact CB-CD2 4.46Å; I131-F133 HydrophobicContact CB-CE2 3.78Å; I131-F133 HydrophobicContact CB-CZ 4.26Å; I131-F133 HydrophobicContact CG2-CD2 4.05Å; I131-F133 HydrophobicContact CG2-CE1 4.39Å; I131-F133 HydrophobicContact CG2-CE2 3.55Å; I131-F133 HydrophobicContact CG2-CZ 3.75Å; I131-F133 WeakPolarHBondContact O-CD2 3.23Å
134G91.8Very high91.2Very high20 Ų2057.4 Ų57.421%0.20627%0.269CS..SBendtrans97.4-174.3176.900000114.8E20 N21 M123E20-G134 CarbonylContact O-C 3.58Å; E20-G134 WeakPolarHBondContact O-CA 3.29Å; N21-G134 WeakPolarHBondContact O-CA 3.43Å; N21-G134 PolarHBondContact O-N 2.92Å; M123-G134 PolarHBondContact N-O 3.38Å
135R95.6Very high91.1Very high106 Ų10656.4 Ų56.440%0.426%0.262SS..EExtended strand (participates in β ladder)trans-126.9148.9178.1-69.4177178.4156.52.5110.2A19 E20 M121 E122 Y137A19-R135 CarbonylContact C-O 3.6Å; A19-R135 WeakPolarHBondContact CA-O 3.49Å; A19-R135 VanDerWaalsContact CB-O 3.32Å; A19-R135 WeakPolarHBondContact CB-O 3.37Å; E20-R135 PolarHBondContact N-O 3.01Å; E20-R135 PolarHBondContact O-N 2.88Å; M121-R135 CarbonylContact O-C 3.54Å; M121-R135 VanDerWaalsContact O-CA 3.3Å; M121-R135 WeakPolarHBondContact O-CA 3.49Å; E122-R135 HydrophobicContact CG-CG 4.27Å; E122-R135 IonicContact OE1-CZ 3.79Å; E122-R135 IonicContact OE1-NE 2.73Å; E122-R135 PolarHBondContact OE1-NE 3.15Å; E122-R135 IonicContact OE1-NH2 2.81Å; E122-R135 PolarHBondContact OE1-NH2 3.08Å; R135-Y137 HydrophobicContact CB-CE2 4Å
136L97.4Very high91Very high0 Ų052.5 Ų52.50%024%0.241CC..EExtended strand (participates in β ladder)trans-118.6136.1175.5-174.572.9000110.2V16 A19 W64 L81 V83 M121 M123 F138V16-L136 HydrophobicContact CG1-CD1 3.98Å; A19-L136 HydrophobicContact CB-CD1 4.02Å; W64-L136 HydrophobicContact CZ3-CD1 3.79Å; L81-L136 HydrophobicContact CB-CD2 3.73Å; L81-L136 HydrophobicContact CD1-CD2 3.73Å; L81-L136 HydrophobicContact CG-CD2 4.38Å; V83-L136 HydrophobicContact CG2-CD1 4.28Å; V83-L136 HydrophobicContact CG2-CD2 4.47Å; M121-L136 PolarHBondContact N-O 2.75Å; M121-L136 VanDerWaalsContact N-O 3.09Å; M121-L136 PolarHBondContact O-N 2.84Å; M123-L136 HydrophobicContact CE-CB 3.35Å; M123-L136 HydrophobicContact CE-CD2 4.43Å; M123-L136 HydrophobicContact CE-CG 4.46Å; L136-F138 HydrophobicContact CD2-CD1 4.12Å; L136-F138 HydrophobicContact CG-CD1 4.1Å
137Y97.6Very high90.4Very high28 Ų2856.5 Ų56.511%0.1127%0.27CS..EExtended strand (participates in β ladder)trans-111.9118.4-179-65.8-107.8000107.6Y17 K18 E20 L118 C119 I120 R135Y17-Y137 WeakPolarHBondContact CB-O 3.48Å; Y17-Y137 PolarHBondContact N-O 3Å; K18-Y137 HydrophobicContact CG-CD2 3.96Å; K18-Y137 HydrophobicContact CG-CG 3.91Å; K18-Y137 PolarHBondContact N-O 2.82Å; K18-Y137 WeakPolarHBondContact O-CB 3.48Å; K18-Y137 PolarHBondContact O-N 2.99Å; E20-Y137 HydrophobicContact CB-CE2 4.27Å; E20-Y137 HydrophobicContact CG-CD2 4.44Å; E20-Y137 HydrophobicContact CG-CE2 3.78Å; E20-Y137 PolarHBondContact OE2-OH 2.88Å; E20-Y137 VanDerWaalsContact OE2-OH 3.13Å; L118-Y137 HydrophobicContact CD2-CD1 4.18Å; C119-Y137 WeakPolarHBondContact O-CA 3.19Å; I120-Y137 HydrophobicContact CB-CE1 4.38Å; I120-Y137 HydrophobicContact CD1-CD1 4.06Å; I120-Y137 HydrophobicContact CD1-CE1 3.66Å; I120-Y137 HydrophobicContact CG1-CD1 3.72Å; I120-Y137 HydrophobicContact CG1-CE1 3.74Å; I120-Y137 HydrophobicContact CG2-CD1 4.24Å; I120-Y137 HydrophobicContact CG2-CE1 3.77Å; I120-Y137 HydrophobicContact CG2-CE2 4.21Å; R135-Y137 HydrophobicContact CB-CE2 4Å
138F96.9Very high89.3Confident0 Ų050.6 Ų50.60%025%0.246CC..EExtended strand (participates in β ladder)trans-154.7156.5-17666.5-81.4000112.4R15 L81 V94 V96 C119 M121 L136 I140R15-F138 CarbonylContact O-C 3.5Å; R15-F138 WeakPolarHBondContact O-CA 3.47Å; R15-F138 VanDerWaalsContact O-CB 3.31Å; R15-F138 WeakPolarHBondContact O-CB 3.34Å; L81-F138 HydrophobicContact CD1-CB 4.32Å; L81-F138 HydrophobicContact CD1-CD1 3.8Å; L81-F138 HydrophobicContact CD1-CD2 3.6Å; L81-F138 HydrophobicContact CD1-CE1 3.94Å; L81-F138 HydrophobicContact CD1-CE2 3.74Å; L81-F138 HydrophobicContact CD1-CG 3.63Å; L81-F138 HydrophobicContact CD1-CZ 3.91Å; V94-F138 HydrophobicContact CG1-CE1 3.97Å; V94-F138 HydrophobicContact CG1-CZ 3.91Å; V96-F138 HydrophobicContact CG2-CE2 4Å; V96-F138 HydrophobicContact CG2-CZ 3.89Å; C119-F138 WeakPolarHBondContact CA-O 3.44Å; C119-F138 HydrophobicContact CB-CD1 4.07Å; C119-F138 HydrophobicContact CB-CD2 4.03Å; C119-F138 HydrophobicContact CB-CE1 3.7Å; C119-F138 HydrophobicContact CB-CE2 3.66Å; C119-F138 HydrophobicContact CB-CG 4.23Å; C119-F138 HydrophobicContact CB-CZ 3.48Å; C119-F138 VanDerWaalsContact CB-CZ 3.48Å; C119-F138 VanDerWaalsContact CB-O 3.29Å; C119-F138 WeakPolarHBondContact CB-O 3.42Å; C119-F138 PolarHBondContact N-O 2.85Å; C119-F138 PolarHBondContact O-N 3.24Å; M121-F138 HydrophobicContact CB-CE1 4.36Å; M121-F138 HydrophobicContact CG-CE1 4.16Å; M121-F138 HydrophobicContact CG-CZ 4.44Å; M121-F138 HydrophobicContact SD-CE1 4.06Å; M121-F138 HydrophobicContact SD-CZ 3.8Å; L136-F138 HydrophobicContact CD2-CD1 4.12Å; L136-F138 HydrophobicContact CG-CD1 4.1Å; F138-I140 HydrophobicContact CD2-CB 4.23Å; F138-I140 HydrophobicContact CD2-CG2 4.33Å; F138-I140 HydrophobicContact CE2-CB 4.19Å; F138-I140 HydrophobicContact CE2-CG2 3.88Å
139W96.3Very high87.9Confident14 Ų1451.7 Ų51.75%0.05325%0.253CS..EExtended strand (participates in β ladder)trans-107148165.4-63.1-93.7000109.6V14 R15 Y17 T113 H114 R117 L118 W141V14-W139 WeakPolarHBondContact CA-O 3.2Å; R15-W139 HydrophobicContact CB-CB 4.36Å; R15-W139 HydrophobicContact CB-CE3 4.2Å; R15-W139 HydrophobicContact CG-CE3 4.12Å; R15-W139 PolarHBondContact N-O 2.97Å; R15-W139 PolarHBondContact O-N 2.87Å; Y17-W139 AromaticContact CD1-CH2 3.92Å; Y17-W139 HydrophobicContact CD1-CH2 3.92Å; Y17-W139 HydrophobicContact CD1-CZ3 4.05Å; Y17-W139 HydrophobicContact CE1-CH2 4.42Å; Y17-W139 HydrophobicContact CG-CH2 4.15Å; Y17-W139 AromaticContact CG-CZ3 3.84Å; Y17-W139 HydrophobicContact CG-CZ3 3.84Å; T113-W139 HydrophobicContact CG2-CD2 4.32Å; T113-W139 HydrophobicContact CG2-CE3 4.3Å; T113-W139 WeakPolarHBondContact O-CZ2 3.28Å; T113-W139 PolarHBondContact O-NE1 3.05Å; H114-W139 PolarHBondContact O-NE1 2.97Å; R117-W139 VanDerWaalsContact C-CD1 3.42Å; R117-W139 VanDerWaalsContact O-CD1 3.26Å; L118-W139 HydrophobicContact CB-CZ2 4.26Å; L118-W139 HydrophobicContact CD1-CD2 3.9Å; L118-W139 HydrophobicContact CD1-CE3 4.16Å; L118-W139 HydrophobicContact CD1-CH2 4.12Å; L118-W139 HydrophobicContact CD1-CZ2 3.82Å; L118-W139 HydrophobicContact CD1-CZ3 4.29Å; L118-W139 HydrophobicContact CD2-CZ2 4.39Å; L118-W139 HydrophobicContact CG-CZ2 4.39Å; W139-W141 HydrophobicContact CB-CE3 4.2Å; W139-W141 HydrophobicContact CB-CZ3 3.76Å
140I95.5Very high85.8Confident5 Ų555.2 Ų55.23%0.02628%0.278CS..EExtended strand (participates in β ladder)trans-146.5137.8176.1-168.7170.7000110.2V12 T13 V14 V79 V96 I101 P102 F138V12-I140 HydrophobicContact CG1-CD1 3.98Å; V12-I140 HydrophobicContact CG1-CG1 3.66Å; T13-I140 WeakPolarHBondContact O-CA 3.3Å; V14-I140 HydrophobicContact CG2-CD1 3.79Å; V14-I140 HydrophobicContact CG2-CG1 3.8Å; V79-I140 HydrophobicContact CB-CD1 4.13Å; V79-I140 HydrophobicContact CG1-CD1 4.09Å; V79-I140 HydrophobicContact CG2-CD1 4.22Å; V96-I140 HydrophobicContact CB-CD1 4.39Å; V96-I140 HydrophobicContact CG1-CD1 4.28Å; I101-I140 HydrophobicContact CD1-CD1 3.8Å; I101-I140 HydrophobicContact CD1-CG1 4.39Å; I101-I140 HydrophobicContact CG1-CD1 4.08Å; I101-I140 HydrophobicContact CG2-CD1 4.38Å; I101-I140 HydrophobicContact CG2-CG1 3.9Å; I101-I140 HydrophobicContact CG2-CG2 4.45Å; P102-I140 WeakPolarHBondContact CG-O 3.45Å; F138-I140 HydrophobicContact CD2-CB 4.23Å; F138-I140 HydrophobicContact CD2-CG2 4.33Å; F138-I140 HydrophobicContact CE2-CB 4.19Å; F138-I140 HydrophobicContact CE2-CG2 3.88Å
141W94.5Very high83.7Confident1 Ų156.9 Ų56.90%0.00428%0.283CS..EExtended strand (participates in β ladder)trans-153.8155.417561.886.6000112.9V12 T13 P102 L112 W139 E143V12-W141 WeakPolarHBondContact CA-O 3.44Å; V12-W141 WeakPolarHBondContact CG1-O 3.44Å; T13-W141 HydrophobicContact CG2-CH2 3.87Å; T13-W141 HydrophobicContact CG2-CZ2 3.41Å; T13-W141 VanDerWaalsContact CG2-CZ2 3.41Å; T13-W141 PolarHBondContact N-O 3.24Å; T13-W141 PolarHBondContact O-N 3.27Å; P102-W141 CarbonylContact O-C 3.59Å; P102-W141 VanDerWaalsContact O-CA 3.26Å; P102-W141 WeakPolarHBondContact O-CA 3.36Å; L112-W141 HydrophobicContact CB-CH2 4.06Å; L112-W141 HydrophobicContact CB-CZ2 4.25Å; L112-W141 HydrophobicContact CB-CZ3 4.32Å; L112-W141 HydrophobicContact CD1-CH2 4.45Å; L112-W141 HydrophobicContact CD1-CZ2 3.9Å; L112-W141 HydrophobicContact CD2-CD2 4.47Å; L112-W141 HydrophobicContact CD2-CZ2 4.48Å; L112-W141 HydrophobicContact CG-CZ2 4.45Å; W139-W141 HydrophobicContact CB-CE3 4.2Å; W139-W141 HydrophobicContact CB-CZ3 3.76Å; W141-E143 PolarHBondContact NE1-OE1 2.94Å
142V93.7Very high81.7Confident2 Ų257.5 Ų57.51%0.01229%0.294CS..EExtended strand (participates in β ladder)trans-80.4125.1174.1-172.30000109.8P9 V12 I101 P102 K104 E144 Y145P9-V142 HydrophobicContact CB-CB 4.49Å; P9-V142 HydrophobicContact CB-CG1 3.79Å; P9-V142 HydrophobicContact CB-CG2 3.92Å; V12-V142 HydrophobicContact CG2-CG2 4.42Å; I101-V142 HydrophobicContact CB-CG2 3.88Å; I101-V142 HydrophobicContact CG2-CG2 3.59Å; P102-V142 PolarHBondContact O-N 2.85Å; K104-V142 WeakPolarHBondContact CB-O 3.47Å; K104-V142 PolarHBondContact N-O 3.25Å; V142-E144 VanDerWaalsContact CG1-O 3.27Å; V142-E144 WeakPolarHBondContact CG1-O 3.39Å; V142-Y145 HydrophobicContact CB-CD2 4.5Å; V142-Y145 HydrophobicContact CB-CE1 4.13Å; V142-Y145 HydrophobicContact CB-CE2 3.89Å; V142-Y145 HydrophobicContact CG1-CD1 3.95Å; V142-Y145 HydrophobicContact CG1-CD2 3.86Å; V142-Y145 HydrophobicContact CG1-CE1 3.86Å; V142-Y145 HydrophobicContact CG1-CE2 3.75Å; V142-Y145 HydrophobicContact CG1-CG 3.96Å; V142-Y145 HydrophobicContact CG2-CE1 3.86Å; V142-Y145 HydrophobicContact CG2-CE2 4.43Å
143E92.6Very high79.2Confident68 Ų6867.6 Ų67.632%0.31833%0.328SS..EExtended strand (participates in β ladder)trans-83.2-49.4170-68.3-68.5164.500110.3E11 T13 T69 K104 W141E11-E143 HydrophobicContact CB-CB 4.28Å; E11-E143 HydrophobicContact CG-CB 4.16Å; E11-E143 PolarHBondContact O-N 3.11Å; T13-E143 WeakPolarHBondContact OG1-CG 3.47Å; T13-E143 PolarHBondContact OG1-OE1 2.96Å; T69-E143 HydrophobicContact CG2-CG 4.03Å; K104-E143 VanDerWaalsContact CD-OE2 3.28Å; K104-E143 WeakPolarHBondContact CD-OE2 3.4Å; K104-E143 IonicContact NZ-OE1 3.56Å; K104-E143 PolarHBondContact NZ-OE1 3.07Å; K104-E143 IonicContact NZ-OE2 3.49Å; K104-E143 PolarHBondContact NZ-OE2 2.69Å; W141-E143 PolarHBondContact NE1-OE1 2.94Å
144E91.2Very high76.7Confident74 Ų7471.4 Ų71.435%0.34636%0.359SS..EExtended strand (participates in β ladder)trans-132.4130.9-178.8-160.3-159.9162.100110.3K10 E11 V142K10-E144 WeakPolarHBondContact CA-O 3.25Å; K10-E144 HydrophobicContact CB-CB 4.38Å; K10-E144 WeakPolarHBondContact CB-O 3.48Å; K10-E144 WeakPolarHBondContact CD-OE1 3.39Å; K10-E144 VanDerWaalsContact CD-OE2 3.23Å; K10-E144 WeakPolarHBondContact CD-OE2 3.25Å; K10-E144 WeakPolarHBondContact CE-OE2 3.33Å; K10-E144 PolarHBondContact N-O 2.63Å; K10-E144 IonicContact NZ-OE1 3.7Å; K10-E144 PolarHBondContact NZ-OE1 2.63Å; K10-E144 IonicContact NZ-OE2 2.97Å; K10-E144 PolarHBondContact NZ-OE2 3.36Å; E11-E144 HydrophobicContact CB-CB 4.02Å; E11-E144 PolarHBondContact N-O 3.41Å; E11-E144 VanDerWaalsContact N-O 3.07Å; E11-E144 PolarHBondContact O-N 3.33Å; V142-E144 VanDerWaalsContact CG1-O 3.27Å; V142-E144 WeakPolarHBondContact CG1-O 3.39Å
145Y90.8Very high74.2Confident71 Ų7174.1 Ų74.128%0.27838%0.38SS..EExtended strand (participates in β ladder)trans-88.6147.1167.8-71.8-83000110.5R7 P103 V142 S147R7-Y145 HydrophobicContact CB-CD1 3.54Å; R7-Y145 HydrophobicContact CB-CE1 4.01Å; R7-Y145 HydrophobicContact CB-CG 4.14Å; P103-Y145 HydrophobicContact CB-CE2 4.12Å; V142-Y145 HydrophobicContact CB-CD2 4.5Å; V142-Y145 HydrophobicContact CB-CE1 4.13Å; V142-Y145 HydrophobicContact CB-CE2 3.89Å; V142-Y145 HydrophobicContact CG1-CD1 3.95Å; V142-Y145 HydrophobicContact CG1-CD2 3.86Å; V142-Y145 HydrophobicContact CG1-CE1 3.86Å; V142-Y145 HydrophobicContact CG1-CE2 3.75Å; V142-Y145 HydrophobicContact CG1-CG 3.96Å; V142-Y145 HydrophobicContact CG2-CE1 3.86Å; V142-Y145 HydrophobicContact CG2-CE2 4.43Å; Y145-S147 PolarHBondContact O-N 2.99Å
146R87.1Confident71.5Confident49 Ų4978.7 Ų78.719%0.18540%0.402CS..PPolyproline II helixtrans-62.4138.6168.3-70.7179.4158.9101.6-6.5109.4H8 P9 K10 I72 A73 T74 E148H8-R146 WeakPolarHBondContact O-CB 3.32Å; H8-R146 PolarHBondContact O-N 2.88Å; P9-R146 PolarHBondContact O-NH1 2.92Å; K10-R146 HydrophobicContact CB-CG 3.7Å; K10-R146 HydrophobicContact CG-CG 4.35Å; I72-R146 PolarHBondContact O-NH1 2.74Å; I72-R146 PolarHBondContact O-NH2 2.65Å; A73-R146 VanDerWaalsContact C-NH2 3.25Å; A73-R146 PolarHBondContact O-NH2 3.43Å; T74-R146 PolarHBondContact O-NH1 2.86Å; R146-E148 PolarHBondContact O-N 3.48Å
147S78.9Confident68.7Low98 Ų9882.4 Ų82.469%0.68544%0.44SS*.PPolyproline II helixtrans-53.3137.9167.845.30000110.7Y145 E149Y145-S147 PolarHBondContact O-N 2.99Å; S147-E149 PolarHBondContact O-N 2.99Å
148E65.3Low65.7Low94 Ų9486 Ų8644%0.43947%0.47SS..PPolyproline II helixtrans-69.5117.7165.8-67.5176.4-151.900106.8N5 R7 R146 S150N5-E148 PolarHBondContact ND2-OE1 3Å; N5-E148 PolarHBondContact ND2-OE2 3.14Å; R7-E148 IonicContact CZ-OE1 2.69Å; R7-E148 IonicContact NE-OE1 2.63Å; R7-E148 PolarHBondContact NE-OE1 3.48Å; R7-E148 IonicContact NH2-OE1 3.14Å; R146-E148 PolarHBondContact O-N 3.48Å; E148-S150 PolarHBondContact O-N 2.96Å
149E55.2Low63Low141 Ų14192.3 Ų92.366%0.65951%0.508SS*.  trans-67.489.6169.9-78.3164.7120.400107.9R75 S147 K151R75-E149 IonicContact CZ-OE2 3.69Å; R75-E149 IonicContact NH1-OE2 2.64Å; R75-E149 PolarHBondContact NH1-OE2 3.4Å; R75-E149 IonicContact NH2-OE2 2.71Å; R75-E149 PolarHBondContact NH2-OE2 3.02Å; S147-E149 PolarHBondContact O-N 2.99Å; E149-K151 PolarHBondContact O-N 2.97Å
150S39.7Very low60.4Low86 Ų8699.2 Ų99.260%0.60155%0.545SS*.  trans-55.6133.2170.270.20000108.1E148 S152E148-S150 PolarHBondContact O-N 2.96Å; S150-S152 PolarHBondContact O-N 3.17Å
151K40.1Very low57.3Low208 Ų208104.1 Ų104.190%0.90458%0.58SS**  trans-76.248.1171.8-69.7179.4179.2174.30110E149 R153E149-K151 PolarHBondContact O-N 2.97Å; K151-R153 PolarHBondContact O-N 3.24Å; K151-R153 VanDerWaalsContact O-N 3.13Å
152S39.6Very low54.6Low91 Ų91112.3 Ų112.364%0.63662%0.623SS**  trans-60.6112.717354.80000108.2S150 S154S150-S152 PolarHBondContact O-N 3.17Å; S152-S154 PolarHBondContact O-N 3.29Å
153R35.5Very low51.5Low226 Ų226117.1 Ų117.185%0.85366%0.657SS**  trans-65.8102.7-176.1-69.6160.464170.9-0.4109.5K151 A155K151-R153 PolarHBondContact O-N 3.24Å; K151-R153 VanDerWaalsContact O-N 3.13Å; R153-A155 HydrophobicContact CB-CB 4.21Å; R153-A155 PolarHBondContact O-N 3.34Å
154S36.5Very low48.6Very low118 Ų118118.9 Ų118.983%0.82568%0.677SS**  trans-67.875.9158.9-171.30000108.8S152 K156S152-S154 PolarHBondContact O-N 3.29Å; S154-K156 PolarHBondContact O-N 3.33Å
155A39.3Very low46.1Very low77 Ų77123.1 Ų123.164%0.63670%0.701SS**  trans-90.865.6-171.200000111.6R153R153-A155 HydrophobicContact CB-CB 4.21Å; R153-A155 PolarHBondContact O-N 3.34Å
156K38.8Very low43.3Very low201 Ų201128 Ų12887%0.87473%0.726SS**  trans-151.9110168.3-97.5165-176.9176.20108.6S154S154-K156 PolarHBondContact O-N 3.33Å
157G37.9Very low40.9Very low78 Ų78133 Ų13380%0.80476%0.756SS**SBendtrans100.265.9-173.800000113.4
158S35.1Very low38.7Very low105 Ų105136 Ų13673%0.73476%0.758SS**  89.6102.652.2-1670000113
159V40.7Very low37.2Very low131 Ų131140 Ų14079%0.79477%0.774SS**  trans44.3131.4156.9-90.50000119.8
160L40.5Very low36.3Very low159 Ų159138.4 Ų138.483%0.83277%0.77SS**  cis-141.9149.716.9-93.8165.1000111.3
161S30.5Very low36.1Very low108 Ų108143.5 Ų143.576%0.75578%0.781SS**  trans-81.6145.5149.4-61.40000109.3
162L37.4Very low35.7Very low173 Ų173137.1 Ų137.191%0.90678%0.775SS**  -167.1141.3127.3-104.8171.6000110.6
163S29.6Very low35.4Very low104 Ų104138.2 Ų138.273%0.72778%0.782SS**  trans-95.4158.9176.647.20000111.1
164S32.2Very low35.4Very low105 Ų105133.4 Ų133.473%0.73478%0.778SS**  trans66.7110.6171.7-170.50000116.9
165L37Very low35.9Very low163 Ų163133 Ų13385%0.85377%0.773SS**  -167.6146.9107.8-100.9161.1000111.4
166H33.5Very low35.8Very low172 Ų172137.1 Ų137.180%0.79678%0.784SS**  trans-80.9137.2160-67.354.9000107.8
167L34.8Very low35.9Very low156 Ų156131.5 Ų131.582%0.81777%0.77SS**  -172.7126.1127.4-122.263.2000113.2
168H34.8Very low36Very low159 Ų159134.8 Ų134.874%0.73677%0.769SS**  trans20.6136138.1-74.9-79.3000122.6
169K33.1Very low36.1Very low179 Ų179135.3 Ų135.378%0.77876%0.763SS**  trans72.7158.4141.7-71.8-175.7157.1-162.80117.7
170D36Very low36Very low107 Ų107139 Ų13957%0.57276%0.764SS**  cis-147.3165.8-19-123.4-44.7000109.7
171K34.9Very low35.8Very low193 Ų193136.6 Ų136.684%0.83976%0.76SS**  trans-28.1129.9175.3-56.5150.2-175.3175.80119
172G33Very low36.2Very low74 Ų74134.1 Ų134.176%0.76375%0.752SS**  108.6148.9115.500000120.9
173S32.8Very low36.1Very low114 Ų114131.6 Ų131.680%0.79775%0.749SS**  trans65.7146.7159-98.20000120.2
174T36.2Very low36.6Very low126 Ų126133.1 Ų133.177%0.77375%0.753SS**  cis-160.7162.1-26.86.20000108
175P45.8Very low36.6Very low108 Ų108135.4 Ų135.470%0.70176%0.757SS**  trans-101.3173.2-161.740.3-38.3000116.1
176N37.4Very low36.4Very low164 Ų164133 Ų13388%0.87775%0.754SS**  trans-167.4148.4150.2-97-28.8000108.6
177S40.3Very low36.3Very low84 Ų84133 Ų13359%0.58776%0.759SS**  cis-169.7154.2-4.656.80000112
178L39.7Very low36.2Very low146 Ų146130.6 Ų130.676%0.76476%0.755SS**  trans71.5146.5162.8-48.1-176.5000117.1
179N38.2Very low36Very low116 Ų116127.8 Ų127.862%0.6275%0.753SS**  cis-160.5143.4-7.2-118.2-10.5000113.2
180Y38.2Very low36.2Very low210 Ų210126.7 Ų126.782%0.82476%0.756SS**  trans58.3151.5156.8-78.9-118000119.1
181S35.8Very low36.2Very low107 Ų107128.2 Ų128.275%0.74876%0.764SS**  cis-173.4143.7-21.5-179.90000106.8
182G39Very low36.4Very low56 Ų56125.4 Ų125.458%0.57776%0.758SS**  cis-161.5161.1-3.600000109.5
183S35.9Very low36.6Very low121 Ų121129.1 Ų129.185%0.84676%0.756SS**  80.6127.9101.5-72.40000115
184V39.5Very low36.8Very low135 Ų135132.3 Ų132.382%0.81875%0.751SS**  cis-140.8153.57.4-160.90000110.9
185L32.6Very low36.8Very low154 Ų154132 Ų13281%0.80674%0.739SS**  trans-81.6178.6170.8-59.1165000111.3
186S33.9Very low36.5Very low113 Ų113137 Ų13779%0.7975%0.75SS**  -179.3161.290.3-670000112.3
187L31.4Very low36.4Very low171 Ų171138.7 Ų138.790%0.89575%0.75SS**  trans-116144.7176.3-51.790.7000112.1
188S32.2Very low36.4Very low106 Ų106143.1 Ų143.174%0.74176%0.758SS**  trans-175.4122.8152.6-165.50000106.9
189S29.1Very low36.1Very low100 Ų100147.5 Ų147.570%0.69977%0.765SS**  67.8106.958.3-171.40000114
190N38.2Very low36Very low156 Ų156153.1 Ų153.183%0.83478%0.777SS**  trans159.3147151.1-82.1-11.9000107.7
191N35.4Very low35.6Very low138 Ų138153.6 Ų153.674%0.73878%0.779SS**  cis-174-175-34.5-148.349.1000104.8
192D38.8Very low35.6Very low134 Ų134154.4 Ų154.472%0.71778%0.78SS**  trans72.365.2156.8-53.7-10.4000120.8
193E37.2Very low35.3Very low153 Ų153160.7 Ų160.772%0.71579%0.791SS**  52.1161111.3-143168.2-149.600124.2
194Y38.7Very low35.1Very low180 Ų180160.2 Ų160.271%0.70678%0.783SS**  trans8170.1167-60.3-70.7000122.7
195K34.4Very low34.9Very low119 Ų119158.3 Ų158.352%0.51778%0.781SS.*  27.7117.5125.4-61.4-178.9-173.5176.60119.5S614 S615K195-S614 VanDerWaalsContact NZ-CB 3.26Å; K195-S614 PolarHBondContact NZ-OG 2.63Å; K195-S615 PolarHBondContact NZ-OG 3.04Å
196K41Very low34.9Very low213 Ų213157.6 Ų157.693%0.92678%0.779SS**  trans-150.7134.2147.4-111.6152.7-170.9165.30113.2
197K35.4Very low35.1Very low201 Ų201161.1 Ų161.187%0.87478%0.782SS**  trans-76.4143.9-179.1-53.6170.6-179.2179.30111.5
198K39.4Very low35.1Very low176 Ų176157.1 Ų157.177%0.76577%0.773SS**  160.6141.6122.3-91167.9-179.4178.70114.2
199R34.6Very low35.2Very low238 Ų238160 Ų16090%0.89878%0.778SS**  trans65.7176.8160.6-70.3173.1171.1177.4-6.5111
200W35Very low35.4Very low235 Ų235162.7 Ų162.789%0.8978%0.779SS**  cis-125.8143.422-55.6-1.7000114.2
201Y30.3Very low35.1Very low219 Ų219161.5 Ų161.586%0.85978%0.776SS**  trans-132.1109.7151.4-103.9-67.8000105.3
202T35.8Very low35.1Very low125 Ų125159.2 Ų159.277%0.76777%0.769SS**  trans174.7124.2154.430.80000105.9
203K31.8Very low34.8Very low187 Ų187158.9 Ų158.981%0.81377%0.772SS**  cis88.4118.943.6-159.9-144.4178.8-178.30112.3
204V33.3Very low34.7Very low111 Ų111155.8 Ų155.867%0.67377%0.768SS**  trans63125171.3-141.60000119.2
205A34.4Very low34.6Very low95 Ų95154 Ų15479%0.78577%0.769SS**  -158.2118127.100000108.9
206N32.5Very low34.5Very low140 Ų140155.6 Ų155.675%0.74978%0.778SS**  trans-96.1124.2176.5-72.2-15000110.4
207H38.4Very low34.4Very low187 Ų187153.2 Ų153.287%0.86677%0.77SS**  trans-149.6112.8148.9-72.6-70.2000105.4
208A30.3Very low34.4Very low86 Ų86148.7 Ų148.771%0.71176%0.764SS**  cis60.798.945.800000112.7
209M34.3Very low34.3Very low168 Ų168152.2 Ų152.283%0.82877%0.772SS**  179.4149.7127.3-95.1-52.5-131.400113
210H35.2Very low34.3Very low156 Ų156146.2 Ų146.272%0.72277%0.767SS**  trans55.8100.3157.5-87.6-72.1000123.4
211V30.9Very low34.6Very low130 Ų130140.5 Ų140.579%0.78876%0.76SS**  -68.8144.51301740000106.8
212P36Very low34.9Very low90 Ų90134.4 Ų134.458%0.58475%0.75SS**  -157.9173.866.542.6-20.2000119.8
213T31.6Very low34.8Very low127 Ų127135.5 Ų135.578%0.77975%0.751SS**  trans52.7143.3145.646.10000120.9
214S36.1Very low34.8Very low89 Ų89131.1 Ų131.162%0.62274%0.744SS**  cis-178.3-171.28.6460000109.8
215I35.1Very low34.9Very low143 Ų143132.2 Ų132.273%0.73375%0.75SS**  trans74.2140158.4-65.3161000115.2
216Q33.7Very low34.9Very low151 Ų151133.2 Ų133.271%0.70675%0.751SS**  cis-165.1-177.7-20.8-103.5-173.5-1.200107.4
217Q38.9Very low34.6Very low164 Ų164134.2 Ų134.277%0.76676%0.757SS**  trans74.5102160.4-42.3-167.4300115.5
218S35.7Very low34.6Very low105 Ų105131 Ų13173%0.73475%0.751SS**  cis84.8106.646.481.60000115.4
219R36.8Very low34.8Very low250 Ų250136.7 Ų136.794%0.94376%0.759SS**  trans-160145.9130.6-107.7167.8-170.4-154.30.3109.7
220S34.9Very low34.8Very low112 Ų112134.2 Ų134.278%0.78376%0.758SS**  trans-120.1-159.8-164.4-48.80000110.9
221P40.1Very low34.8Very low115 Ų115134.7 Ų134.775%0.74776%0.763SS**  -124-166.5-112.539-19.6000112.6
222S36.5Very low35Very low92 Ų92136.3 Ų136.364%0.64377%0.767SS**  160.8161.2119.455.30000113.9
223N35.2Very low34.9Very low147 Ų147139.7 Ų139.779%0.78678%0.78SS**  trans73.2143159-56.1-18.1000119.7
224S31Very low35Very low96 Ų96139.5 Ų139.567%0.67179%0.785SS**  cis175.9164.9-47.746.10000111.1
225V34.7Very low35Very low134 Ų134145.3 Ų145.381%0.81279%0.794SS**  trans74.7103.8162.1-169.70000117.7
226S34.3Very low35.4Very low115 Ų115143.1 Ų143.180%0.80478%0.784SS**  -167.2110117.446.60000110.7
227N27.3Very low35.7Very low161 Ų161140.6 Ų140.686%0.86178%0.781SS**  trans-165.2103.2170.8-151.1-7.4000112.7
228T38.7Very low35.8Very low121 Ų121141.1 Ų141.174%0.74278%0.781SS**  trans-157.9118.5170.348.70000113.5
229K34.7Very low36.2Very low204 Ų204142.2 Ų142.289%0.88778%0.778SS**  trans67156.1156.3-54.2172.5-177.4179.30115.8
230S33.8Very low36.1Very low116 Ų116140.6 Ų140.681%0.81177%0.774SS**  cis-137.7161.81.4-165.10000111.3
231M35.5Very low36.2Very low166 Ų166146.1 Ų146.182%0.81878%0.779SS**  trans-74.5150.5171.6-68.8173.2160.300112.3
232N35.4Very low36Very low165 Ų165149.4 Ų149.488%0.88279%0.785SS**  -157.4135.9124.2-113.5-5000110.4
233N33.6Very low35.8Very low160 Ų160153.1 Ų153.186%0.85679%0.792SS**  trans-89.7139.7178.7-74.8-9.5000111
234S33.3Very low35.6Very low124 Ų124152.8 Ų152.887%0.86779%0.79SS**  trans-144.1125142.3-169.20000107.2
235Y34.9Very low35.8Very low210 Ų210157.8 Ų157.882%0.82480%0.8SS**  trans-118.294.6-167-163.3-88.1000109.1
236N43.7Very low35.8Very low97 Ų97158.8 Ų158.852%0.51980%0.801SS.*  trans-95.3114.2176.7-173.530.3000110F238 D239N236-F238 VanDerWaalsContact C-N 3.25Å; N236-F238 PolarHBondContact O-N 2.85Å; N236-D239 PolarHBondContact ND2-OD2 3.1Å
237P39.9Very low35.8Very low99 Ų99162.7 Ų162.764%0.64381%0.806SS**THydrogen-bonded Turntrans-82.314.3-171.932.6-35.3000115.2
238F42.4Very low36.4Very low175 Ų175164.6 Ų164.677%0.76881%0.81SS**THydrogen-bonded Turntrans-117.6-6.4-169.3-77.6-76.4000117.1N236 Y240N236-F238 VanDerWaalsContact C-N 3.25Å; N236-F238 PolarHBondContact O-N 2.85Å; F238-Y240 PolarHBondContact O-N 3Å
239D43.3Very low36.2Very low127 Ų127167 Ų16768%0.67982%0.819SS**  trans-841.1-171.9-70.3-57.2000115.8N236 Y241N236-D239 PolarHBondContact ND2-OD2 3.1Å; D239-Y241 PolarHBondContact O-N 3.49Å; D239-Y241 VanDerWaalsContact O-N 3.12Å
240Y35.7Very low36.2Very low216 Ų216160.7 Ų160.785%0.84781%0.811SS**THydrogen-bonded Turntrans-79.891.4173.5-93.9-94.4000111.3F238F238-Y240 PolarHBondContact O-N 3Å
241Y35.3Very low36.2Very low229 Ų229161.7 Ų161.790%0.89881%0.812SS**THydrogen-bonded Turntrans174.537.1134.8-90.9-55.4000114.2D239D239-Y241 PolarHBondContact O-N 3.49Å; D239-Y241 VanDerWaalsContact O-N 3.12Å
242Q36Very low36.3Very low184 Ų184161 Ų16186%0.8681%0.81SS**  trans-151.366.2176.9-145.5175.9105.800116.7
243Q33.6Very low36.3Very low170 Ų170162.1 Ų162.179%0.79481%0.81SS**  trans-157.1111.5156.2-119.916630.500116.8
244N31Very low36.7Very low139 Ų139163.3 Ų163.374%0.74381%0.81SS**  trans19.4106.7134.3-52.1-17.4000120.1
245F34.2Very low37Very low201 Ų201166.8 Ų166.888%0.88281%0.81SS**  trans-133.7109.4137.9-68.7-86.3000105.9
246N35.3Very low37Very low155 Ų155164.5 Ų164.583%0.82981%0.812SS**  53.6127.971.7-791.2000113.9
247E33.9Very low36.8Very low197 Ų197163.4 Ų163.492%0.92182%0.823SS**  trans-85.9139.2-170-56170.3127.500111.8
248E40.1Very low36.7Very low201 Ų201164.6 Ų164.694%0.93983%0.834SS**  trans-154.2148.1145-127.8172.5-149.700110.3
249D35.5Very low36.6Very low173 Ų173162.9 Ų162.993%0.92584%0.837SS**  trans-78136.1-171.6-91.2-53.1000113.1
250G34.4Very low36.3Very low71 Ų71165 Ų16573%0.73285%0.848SS**  trans-155.695177.400000113.3
251V33.9Very low36.3Very low136 Ų136158 Ų15882%0.82484%0.842SS**  trans-84.8114.2-179.7178.10000111.3
252I36.7Very low36.3Very low152 Ų152151.9 Ų151.978%0.77984%0.838SS**  trans-137.2128.2161.7-58.9-177.8000109.1E254I252-E254 HydrophobicContact CG2-CG 4.17Å
253E35.5Very low36.1Very low188 Ų188154.1 Ų154.188%0.87984%0.84SS**  trans-91.2115.3168.5-65.9-175.2131.700110.1
254E41.9Very low36Very low185 Ų185151.1 Ų151.186%0.86484%0.838SS**  trans-132.3168.5162.2-72.8-150.514400112.3I252I252-E254 HydrophobicContact CG2-CG 4.17Å
255K40.4Very low36.2Very low198 Ų198152.9 Ų152.986%0.86184%0.842SS**  trans-110.7168.6-142.2-68.8177.1-178.7167.50116.2
256D34.3Very low36.3Very low162 Ų162150.1 Ų150.187%0.86684%0.835SS**  trans-39.5133.6174.2-56-66.5000115.4
257G39.6Very low36.2Very low73 Ų73149.2 Ų149.275%0.75384%0.836SS**  trans-135.858.2174.300000112.7V259G257-V259 PolarHBondContact O-N 2.9Å
258S36.9Very low36.2Very low124 Ų124143.6 Ų143.687%0.86782%0.823SS**  trans-76.3112.8174.5-710000111.3
259V41.4Very low35.8Very low139 Ų139141 Ų14184%0.84282%0.816SS**  trans-102.9147.7172.3-179.50000110.6G257G257-V259 PolarHBondContact O-N 2.9Å
260L37.6Very low35.6Very low173 Ų173137.7 Ų137.791%0.90681%0.806SS**  trans-74.4162.1-176.5-61.1167.3000111.6
261G34.6Very low35.6Very low69 Ų69141.6 Ų141.671%0.71181%0.809SS**  cis-177.3-173.62.800000112.7
262A35.6Very low35.3Very low99 Ų99140.2 Ų140.282%0.81881%0.806SS**  trans-89.1140.6-179.700000112.5
263Y31.9Very low35.1Very low231 Ų231138.6 Ų138.691%0.90681%0.808SS**  trans-105.9129.4154.5-83.3-85.9000109.1
264S31.5Very low34.8Very low108 Ų108134.8 Ų134.876%0.75580%0.802SS**  trans-165.1155.2169.4-77.40000109.2
265E36.1Very low34.4Very low176 Ų176131.8 Ų131.882%0.82280%0.802SS**  trans70.4151.6169.8-53.2-169.4-166.700117.2
266L34.6Very low34.1Very low142 Ų142126 Ų12674%0.74379%0.79SS**  cis-166125.1-24.7-108.6175.6000108.9
267T33.7Very low34Very low137 Ų137128.6 Ų128.684%0.8479%0.794SS**  trans-160.6124.8153.531.30000107.6
268A33.5Very low33.8Very low79 Ų79129.7 Ų129.765%0.65380%0.796SS**  cis88.412731.900000115
269N31.9Very low33.5Very low146 Ų146129.9 Ų129.978%0.78179%0.792SS**  trans75.3100.7160.2-60.1-9.7000121.2
270S31.8Very low33.3Very low103 Ų103131.2 Ų131.272%0.7279%0.794SS**  82.4153.5122.374.30000121.3
271L33.3Very low33.1Very low154 Ų154131.3 Ų131.381%0.80679%0.791SS**  trans69.6110.3174.1-50.7179000114
272S29Very low33.3Very low106 Ų106135.7 Ų135.774%0.74180%0.797SS**  90.2144.261.7-70.40000113
273S31.3Very low33.5Very low119 Ų119139.2 Ų139.283%0.83279%0.793SS**  trans87.195.3-171-39.70000112.5
274S30.2Very low33.7Very low108 Ų108138.4 Ų138.476%0.75579%0.789SS**  78.6103.354.9-160.10000113.3
275S33.5Very low33.8Very low122 Ų122143.2 Ų143.285%0.85379%0.79SS**  trans-71.7155139.950.20000108.7
276A33.3Very low33.8Very low75 Ų75141 Ų14162%0.6278%0.784SS**  trans-151.5117.1-17000000113.7
277F33.6Very low33.8Very low218 Ų218139.1 Ų139.196%0.95678%0.783SS**  trans-150.7143.2160.5-69.2-70.6000107.5
278A34.3Very low33.8Very low95 Ų95141 Ų14179%0.78578%0.784SS**  cis-140.5159.4-8.400000110.2
279T31Very low34.1Very low128 Ų128145.1 Ų145.179%0.78579%0.79SS**  trans-79.6141179.5510000112.6
280N36.4Very low34.5Very low167 Ų167144 Ų14489%0.89379%0.79SS**  -158.1149.3127.3-111.7-42.9000113.6
281Q34.8Very low34.5Very low176 Ų176143.1 Ų143.182%0.82278%0.784SS**  trans-108.8131.7176.7-69.9-142.428.100111.2
282L37.3Very low34.7Very low161 Ų161144.9 Ų144.984%0.84379%0.785SS**  trans-167.9112.6139.8-124.860.9000108.7
283K39.6Very low35Very low172 Ų172150.9 Ų150.975%0.74879%0.792SS**  51.7113.987.5-103.9174-175.8163.70115
284R36.7Very low35.2Very low214 Ų214151 Ų15181%0.80879%0.793SS**  trans99.8108.2142.8-66.7173.6170.3172.3-3120.5
285R34.5Very low35.3Very low209 Ų209149.4 Ų149.479%0.78979%0.793SS**  93.4137.9123.5-69173.689.3123.84.6119.9
286N35.4Very low35.3Very low130 Ų130151.8 Ų151.870%0.69580%0.795SS**  trans67.3115.3159.2-58.28.7000115.2
287S34.6Very low35.3Very low102 Ų102156.1 Ų156.171%0.71381%0.807SS**  71.1132.159.281.20000113.1
288M33.8Very low35.1Very low176 Ų176150.6 Ų150.687%0.86780%0.801SS**  cis-141163.325.5-68.3173.65100115.3
289H38.8Very low35.1Very low167 Ų167151 Ų15177%0.77380%0.798SS**  trans-60.9174.6152.6-112.6-32.6000111.4
290P40.3Very low35.2Very low121 Ų121153 Ų15379%0.78680%0.804SS**  cis-146.3-178.138.641.7-20.8000117.6
291S31.9Very low35.5Very low85 Ų85152 Ų15259%0.59480%0.797SS**  trans-113.8158.8162.960.10000110.7
292K37.5Very low35.4Very low191 Ų191150.4 Ų150.483%0.8379%0.794SS**  167.2150.6127-91.8157-172.1173.70115.9
293R37.2Very low35.2Very low232 Ų232147.9 Ų147.988%0.87579%0.79SS**  trans73.4108.4144.4-87-177156.7-172.2-7.8121.2
294S34.1Very low34.8Very low122 Ų122144.3 Ų144.385%0.85379%0.787SS**  67.1119.6103.3-168.60000119.5
295G32Very low34.8Very low74 Ų74142 Ų14276%0.76379%0.789SS**  trans-179.9120.4163.300000112.3
296L33.7Very low35Very low172 Ų172141 Ų14190%0.90179%0.79SS**  trans-59.5141174.4-63.1155.5000112.1
297I34.8Very low34.9Very low167 Ų167141.9 Ų141.986%0.85679%0.794SS**  176.8151122-90.8155.6000108.8
298A29.1Very low34.8Very low101 Ų101142.9 Ų142.984%0.83580%0.801SS**  trans-89.3133-178.600000112.7
299S34.7Very low35Very low103 Ų103141.1 Ų141.172%0.7280%0.796SS**  trans-150.3148.2154.555.20000109.1I301S299-I301 PolarHBondContact O-N 3Å
300N31.7Very low35Very low170 Ų170141.8 Ų141.891%0.90980%0.799SS**  trans-71.4120.3-177.9-55.6-43000109.9
301I43.3Very low35Very low146 Ų146144 Ų14475%0.74980%0.799SS**  trans-130.2131.4157.9-61.7-175.9000107.4S299S299-I301 PolarHBondContact O-N 3Å
302D31.7Very low35.8Very low144 Ų144147.2 Ų147.277%0.7781%0.808SS**  trans-59.3144.7-180-160.2-16.2000111.2S304D302-S304 PolarHBondContact OD1-N 2.78Å
303S33.6Very low37Very low107 Ų107145 Ų14575%0.74880%0.799SS**  trans-123.245-179.4-62.80000111.2
304S31.1Very low38.9Very low98 Ų98136.5 Ų136.569%0.68578%0.775SS**  trans-54.1161.2150.2-173.40000110.7D302D302-S304 PolarHBondContact OD1-N 2.78Å
305I36.7Very low41.4Very low165 Ų165137.4 Ų137.485%0.84676%0.763SS**  trans69.773.8-163.5-43.8173.1000111.7
306K38.5Very low44.3Very low189 Ų189134.1 Ų134.182%0.82273%0.728SS**  trans-126.4147.1145.6-109.1-169.8173.7-167.50109.1S308K306-S308 PolarHBondContact O-N 2.77Å
307D34.9Very low47.1Very low147 Ų147129.8 Ų129.879%0.78670%0.704SS**  trans-44.7126.4-163.8-49.1-70.6000114.2D309D307-D309 PolarHBondContact O-N 2.71Å
308S31.4Very low49.9Very low123 Ų123121.9 Ų121.986%0.8666%0.663SS**  trans-80.763.4177.558.70000111.5K306K306-S308 PolarHBondContact O-N 2.77Å
309D37.6Very low52.7Low139 Ų139119.7 Ų119.774%0.74364%0.637SS**  trans-82.7107.2155.9-94.1-36.2000107.8D307 H311D307-D309 PolarHBondContact O-N 2.71Å; D309-H311 PolarHBondContact O-N 3.33Å
310E38.5Very low55.4Low181 Ų181117.3 Ų117.385%0.84661%0.612SS**  trans-69.681.5163.6-75.7-154138.900109.2L312E310-L312 VanDerWaalsContact C-N 3.25Å; E310-L312 PolarHBondContact O-N 3.34Å
311H42.2Very low58.4Low169 Ų169109.4 Ų109.478%0.78257%0.57SS**  trans-61.692.2166.5-125.6-60.7000107.8D309 K313D309-H311 PolarHBondContact O-N 3.33Å; H311-K313 PolarHBondContact O-N 2.89Å
312L47.1Very low60.7Low152 Ų152104.3 Ų104.380%0.79655%0.549SS*.  trans-45.7108.4179.9-70.7170.8000109.2E310 S314E310-L312 VanDerWaalsContact C-N 3.25Å; E310-L312 PolarHBondContact O-N 3.34Å; L312-S314 VanDerWaalsContact C-N 3.26Å; L312-S314 PolarHBondContact O-N 2.72Å
313K62.3Low63.7Low144 Ų144100.1 Ų100.163%0.62653%0.53SS*.  trans-71.483.8-173.3-78.3-174.2173179.40110.4H311 K315 E396 F397H311-K313 PolarHBondContact O-N 2.89Å; K313-K315 PolarHBondContact O-N 3.46Å; K313-K315 VanDerWaalsContact O-N 3.15Å; K313-E396 VanDerWaalsContact CD-OE1 3.26Å; K313-E396 WeakPolarHBondContact CD-OE1 2.97Å; K313-E396 WeakPolarHBondContact CE-OE1 3.31Å; K313-E396 IonicContact NZ-OE1 2.7Å; K313-E396 PolarHBondContact NZ-OE1 2.82Å; K313-E396 IonicContact NZ-OE2 3.49Å; K313-F397 HydrophobicContact CB-CZ 4.25Å
314S78Confident66.4Low53 Ų53100.1 Ų100.137%0.37152%0.517SS..  trans-48.3115.6173.149.40000110.5L312 F340L312-S314 VanDerWaalsContact C-N 3.26Å; L312-S314 PolarHBondContact O-N 2.72Å; S314-F340 WeakPolarHBondContact O-CB 3.29Å; S314-F340 WeakPolarHBondContact OG-CD1 3.46Å; S314-F340 WeakPolarHBondContact OG-CG 3.47Å
315K87.4Confident69.3Low142 Ų14298.1 Ų98.162%0.61750%0.502SS*.  trans-52.8130.2-177.8-176.2178.6-179.4177.50110.6K313 F397K313-K315 PolarHBondContact O-N 3.46Å; K313-K315 VanDerWaalsContact O-N 3.15Å; K315-F397 HydrophobicContact CB-CD1 4.39Å; K315-F397 HydrophobicContact CB-CE1 4.49Å; K315-F397 HydrophobicContact CG-CD1 4.09Å
316P92Very high71.8Confident4 Ų490.7 Ų90.73%0.02647%0.466CS..  trans-65.5143178.827.4-35.8000111.8R339 L341 I345 F397 I400P316-R339 VanDerWaalsContact CA-O 3.27Å; P316-R339 WeakPolarHBondContact CA-O 3.47Å; P316-L341 HydrophobicContact CB-CB 4.13Å; P316-L341 HydrophobicContact CB-CD1 3.99Å; P316-I345 HydrophobicContact CB-CD1 4.49Å; P316-I345 HydrophobicContact CG-CD1 4.29Å; P316-F397 VanDerWaalsContact CD-CG 3.48Å; P316-F397 HydrophobicContact CG-CB 4.25Å; P316-F397 HydrophobicContact CG-CD1 4.47Å; P316-F397 HydrophobicContact CG-CD2 3.72Å; P316-F397 HydrophobicContact CG-CE2 4.16Å; P316-F397 HydrophobicContact CG-CG 3.88Å; P316-I400 HydrophobicContact CB-CD1 4.3Å; P316-I400 HydrophobicContact CG-CD1 3.49Å; P316-I400 VanDerWaalsContact CG-CD1 3.49Å; P316-I400 HydrophobicContact CG-CG1 4.07Å; P316-I400 WeakPolarHBondContact O-CG2 3.46Å
317E91.9Very high74.3Confident82 Ų8284.1 Ų84.138%0.38344%0.443SS..EExtended strand (participates in β ladder)trans-128.4141.2-176.5-164.7-168.8172.200111L319 C338 R339E317-L319 VanDerWaalsContact CD-CD2 3.43Å; E317-L319 HydrophobicContact CG-CD2 4.06Å; E317-L319 WeakPolarHBondContact OE2-CD2 3.47Å; E317-C338 CarbonylContact O-C 3.59Å; E317-C338 VanDerWaalsContact O-CA 3.22Å; E317-C338 WeakPolarHBondContact O-CA 3.44Å; E317-R339 HydrophobicContact CB-CB 4.46Å; E317-R339 PolarHBondContact N-O 2.75Å; E317-R339 PolarHBondContact O-N 2.83Å
318L93.4Very high76.9Confident1 Ų177.9 Ų77.91%0.00541%0.411CS..EExtended strand (participates in β ladder)trans-109.596.1178.8-57.5179.8000109.7I336 C338 L341 I392 I400 C402L318-I336 HydrophobicContact CB-CG2 4.3Å; L318-I336 HydrophobicContact CD2-CG2 4.19Å; L318-C338 HydrophobicContact CD2-CB 4.1Å; L318-C338 WeakPolarHBondContact CD2-SG 3.43Å; L318-L341 HydrophobicContact CD2-CD2 4.16Å; L318-I392 HydrophobicContact CD1-CD1 3.97Å; L318-I392 HydrophobicContact CD1-CG1 4.01Å; L318-I392 HydrophobicContact CD2-CD1 3.78Å; L318-I392 HydrophobicContact CG-CD1 4.45Å; L318-I400 HydrophobicContact CD1-CG2 4.06Å; L318-I400 WeakPolarHBondContact CD1-O 3.27Å; L318-I400 HydrophobicContact CG-CG2 3.87Å; L318-C402 HydrophobicContact CB-CB 3.71Å; L318-C402 HydrophobicContact CD1-CB 4.01Å
319L89.2Confident79.5Confident54 Ų5475.7 Ų75.728%0.28340%0.395SS..EExtended strand (participates in β ladder)trans-74.7-49.3-164.5-60.5179.8000114.2E317 Y337 R339E317-L319 VanDerWaalsContact CD-CD2 3.43Å; E317-L319 HydrophobicContact CG-CD2 4.06Å; E317-L319 WeakPolarHBondContact OE2-CD2 3.47Å; L319-Y337 WeakPolarHBondContact CB-O 3.36Å; L319-Y337 PolarHBondContact N-O 2.87Å; L319-R339 HydrophobicContact CD1-CG 3.83Å; L319-R339 HydrophobicContact CD2-CG 4.33Å; L319-R339 HydrophobicContact CG-CG 4.21Å
320R90.5Very high81.9Confident53 Ų5369.5 Ų69.520%0.236%0.364CS..EExtended strand (participates in β ladder)trans-158.5158-171.864.5169.3-164.7177.44.3112.2I336 Y337R320-I336 WeakPolarHBondContact O-CA 3.45Å; R320-Y337 HydrophobicContact CG-CD2 3.78Å; R320-Y337 HydrophobicContact CG-CG 4Å; R320-Y337 VanDerWaalsContact NE-CD2 3.3Å; R320-Y337 PolarHBondContact O-N 2.92Å
321I94.7Very high84.1Confident5 Ų564.2 Ų64.23%0.02636%0.358CS..EExtended strand (participates in β ladder)trans-118.9148.3174.274.4178.2000111.7K324 L334 T335 I336 I390 C402 Q404 E405 F406I321-K324 HydrophobicContact CG1-CG 4.15Å; I321-L334 HydrophobicContact CB-CD1 4.02Å; I321-L334 HydrophobicContact CB-CD2 4.41Å; I321-L334 HydrophobicContact CB-CG 4.43Å; I321-L334 HydrophobicContact CD1-CD1 4.43Å; I321-L334 HydrophobicContact CG1-CD1 4.42Å; I321-T335 CarbonylContact C-O 3.38Å; I321-T335 WeakPolarHBondContact CA-O 3.33Å; I321-I336 HydrophobicContact CG2-CG1 4.13Å; I321-I336 HydrophobicContact CG2-CG2 4.35Å; I321-I390 HydrophobicContact CD1-CD1 4.3Å; I321-I390 HydrophobicContact CG2-CD1 4.37Å; I321-C402 VanDerWaalsContact CG2-SG 3.58Å; I321-Q404 HydrophobicContact CD1-CB 4.34Å; I321-Q404 HydrophobicContact CG1-CB 4.1Å; I321-Q404 HydrophobicContact CG2-CB 4.45Å; I321-E405 WeakPolarHBondContact CD1-O 3.44Å; I321-F406 HydrophobicContact CD1-CB 3.9Å; I321-F406 HydrophobicContact CD1-CD2 4.26Å
322A92.7Very high86.3Confident38 Ų3857.4 Ų57.431%0.31433%0.328SS..EExtended strand (participates in β ladder)trans-146.9126.6172.100000110.9T335 Y337A322-T335 PolarHBondContact N-O 3.3Å; A322-T335 PolarHBondContact O-N 2.75Å; A322-Y337 HydrophobicContact CB-CE2 4.37Å
323P93.5Very high88.6Confident57 Ų5754 Ų5437%0.3731%0.309SS..SBendcis-71.4160.7-4.232.1-36.4000113.1C325 T332 L334P323-C325 VanDerWaalsContact C-N 3.27Å; P323-C325 PolarHBondContact O-N 2.96Å; P323-T332 HydrophobicContact CG-CG2 3.66Å; P323-L334 WeakPolarHBondContact O-CD1 3.39Å
324K91.2Very high90.1Very high106 Ų10647.2 Ų47.246%0.46128%0.279SS..SBendtrans-79.8-4.2176.5-63.8-170.4177.5-171.90113.8E122 I321 Q404 T407E122-K324 IonicContact OE2-NZ 3.28Å; E122-K324 PolarHBondContact OE2-NZ 2.8Å; I321-K324 HydrophobicContact CG1-CG 4.15Å; K324-Q404 VanDerWaalsContact CE-OE1 3.26Å; K324-T407 PolarHBondContact O-N 2.88Å; K324-T407 VanDerWaalsContact O-N 3.08Å
325C91.3Very high90.9Very high57 Ų5745.7 Ų45.739%0.38527%0.268SS..EExtended strand (participates in β ladder)trans-156.2164.8178.860.90000113.4P323 F406 T407 L409P323-C325 VanDerWaalsContact C-N 3.27Å; P323-C325 PolarHBondContact O-N 2.96Å; C325-F406 VanDerWaalsContact C-CE2 3.47Å; C325-T407 WeakPolarHBondContact CA-O 3.47Å; C325-T407 WeakPolarHBondContact CB-O 3.36Å; C325-L409 HydrophobicContact CB-CD1 4.35Å; C325-L409 HydrophobicContact CB-CG 4.34Å
326G89.9Confident91.3Very high8 Ų839 Ų398%0.08224%0.238CC..EExtended strand (participates in β ladder)trans-167.6176.8176.300000111.9T407 Y408 L409G326-T407 PolarHBondContact N-O 2.95Å; G326-T407 VanDerWaalsContact N-O 3.11Å; G326-Y408 CarbonylContact O-C 3.49Å; G326-Y408 WeakPolarHBondContact O-CA 3.29Å; G326-L409 PolarHBondContact O-N 3.33Å
327P89.9Confident91.4Very high51 Ų5141.3 Ų41.333%0.33125%0.247SC..EExtended strand (participates in β ladder)trans-77.1148.5-177.832-36.2000113.2S329 G330 Y408P327-S329 WeakPolarHBondContact CG-OG 3.42Å; P327-S329 PolarHBondContact O-N 2.88Å; P327-G330 PolarHBondContact O-N 2.7Å; P327-Y408 WeakPolarHBondContact O-CD1 3.28Å
328S90Very high91.5Very high17 Ų1737.4 Ų37.412%0.11923%0.229CC..THydrogen-bonded Turntrans-55.5-18.7173.645.70000115.1G330 S382 L383 L409 S411S328-G330 PolarHBondContact O-N 3.47Å; S328-S382 WeakPolarHBondContact O-CA 3.47Å; S328-L383 CarbonylContact C-O 3.54Å; S328-L383 VanDerWaalsContact CA-O 3.26Å; S328-L383 WeakPolarHBondContact CA-O 3.26Å; S328-L383 WeakPolarHBondContact CB-O 3.38Å; S328-L383 PolarHBondContact O-N 2.95Å; S328-L383 VanDerWaalsContact O-N 3.09Å; S328-L409 WeakPolarHBondContact CB-O 3.48Å; S328-L409 PolarHBondContact N-O 2.81Å; S328-L409 PolarHBondContact OG-O 2.98Å; S328-S411 WeakPolarHBondContact OG-CB 3.46Å; S328-S411 PolarHBondContact OG-N 2.82Å; S328-S411 PolarHBondContact OG-OG 3.15Å
329S87.3Confident91.4Very high77 Ų7741.3 Ų41.354%0.53824%0.244SC..THydrogen-bonded Turntrans-66.3-11.3171580000114.4P327P327-S329 WeakPolarHBondContact CG-OG 3.42Å; P327-S329 PolarHBondContact O-N 2.88Å
330G87.8Confident91.4Very high8 Ų841.8 Ų41.88%0.08224%0.243CC..  trans72.1-158.7-172.500000112.7P327 S328 T332 M380 P381P327-G330 PolarHBondContact O-N 2.7Å; S328-G330 PolarHBondContact O-N 3.47Å; G330-T332 VanDerWaalsContact C-N 3.32Å; G330-T332 PolarHBondContact O-N 3.21Å; G330-M380 CarbonylContact C-O 3.58Å; G330-M380 VanDerWaalsContact CA-O 3.23Å; G330-M380 WeakPolarHBondContact CA-O 3.22Å; G330-P381 VanDerWaalsContact CA-O 3.29Å; G330-P381 WeakPolarHBondContact CA-O 3.41Å
331G83.9Confident91.4Very high70 Ų7039.3 Ų39.372%0.72223%0.234SC*.  trans78.211.2176.800000115M380G331-M380 PolarHBondContact N-O 2.96Å
332T89.3Confident91.2Very high26 Ų2641.7 Ų41.716%0.1625%0.249CC..  trans-85.9127172.9-57.90000109.6P323 G330 L334 M380 F406P323-T332 HydrophobicContact CG-CG2 3.66Å; G330-T332 VanDerWaalsContact C-N 3.32Å; G330-T332 PolarHBondContact O-N 3.21Å; T332-L334 PolarHBondContact O-N 3.2Å; T332-M380 WeakPolarHBondContact O-CB 3.48Å; T332-M380 WeakPolarHBondContact O-CG 3.29Å; T332-M380 PolarHBondContact O-N 3.49Å; T332-F406 HydrophobicContact CG2-CE2 4.49Å; T332-F406 HydrophobicContact CG2-CZ 4.35Å
333E94.1Very high91.1Very high82 Ų8243 Ų4338%0.38325%0.253SS..EExtended strand (participates in β ladder)trans-76.2113.8166.9-173.5-176.7164.400108.7R377E333-R377 WeakPolarHBondContact OE1-CD 3.46Å; E333-R377 IonicContact OE1-CZ 3.93Å; E333-R377 IonicContact OE1-NE 2.72Å; E333-R377 IonicContact OE1-NH1 3.31Å; E333-R377 PolarHBondContact OE1-NH1 3.44Å
334L94.4Very high90.8Very high0 Ų046.2 Ų46.20%026%0.263CS..EExtended strand (participates in β ladder)trans-98.8126.3176.1-174.569.3000109.8I321 P323 T332 I336 R377 V378 M380 I390 F406I321-L334 HydrophobicContact CB-CD1 4.02Å; I321-L334 HydrophobicContact CB-CD2 4.41Å; I321-L334 HydrophobicContact CB-CG 4.43Å; I321-L334 HydrophobicContact CD1-CD1 4.43Å; I321-L334 HydrophobicContact CG1-CD1 4.42Å; P323-L334 WeakPolarHBondContact O-CD1 3.39Å; T332-L334 PolarHBondContact O-N 3.2Å; L334-I336 HydrophobicContact CD2-CG1 4.2Å; L334-I336 HydrophobicContact CG-CG1 4.36Å; L334-R377 CarbonylContact O-C 3.57Å; L334-R377 VanDerWaalsContact O-CA 3.29Å; L334-R377 WeakPolarHBondContact O-CA 3.21Å; L334-V378 HydrophobicContact CB-CB 4.44Å; L334-V378 WeakPolarHBondContact CB-O 3.45Å; L334-V378 PolarHBondContact N-O 3.43Å; L334-V378 PolarHBondContact O-N 3.13Å; L334-M380 HydrophobicContact CB-CG 3.73Å; L334-M380 HydrophobicContact CB-SD 3.81Å; L334-M380 HydrophobicContact CD2-CE 3.94Å; L334-M380 HydrophobicContact CD2-CG 4.41Å; L334-M380 HydrophobicContact CD2-SD 3.58Å; L334-M380 VanDerWaalsContact CD2-SD 3.58Å; L334-M380 HydrophobicContact CG-SD 4.31Å; L334-I390 HydrophobicContact CD2-CD1 3.34Å; L334-F406 HydrophobicContact CD1-CD2 3.72Å; L334-F406 HydrophobicContact CD1-CE2 3.89Å; L334-F406 HydrophobicContact CD2-CD2 4.22Å
335T95.3Very high90.7Very high22 Ų2241.8 Ų41.814%0.13525%0.245CC..EExtended strand (participates in β ladder)trans-101117.8170.5-550000110.1I321 A322 Y337 Q375I321-T335 CarbonylContact C-O 3.38Å; I321-T335 WeakPolarHBondContact CA-O 3.33Å; A322-T335 PolarHBondContact N-O 3.3Å; A322-T335 PolarHBondContact O-N 2.75Å; T335-Y337 HydrophobicContact CG2-CD2 4.16Å; T335-Y337 HydrophobicContact CG2-CE2 3.62Å; T335-Q375 HydrophobicContact CG2-CB 4.15Å; T335-Q375 HydrophobicContact CG2-CG 4.28Å
336I95.3Very high90.8Very high0 Ų039.2 Ų39.20%023%0.227CC..EExtended strand (participates in β ladder)trans-99.1129.4172.6-48.9173.6000107.3L318 R320 I321 L334 Q375 L376 V378 I390L318-I336 HydrophobicContact CB-CG2 4.3Å; L318-I336 HydrophobicContact CD2-CG2 4.19Å; R320-I336 WeakPolarHBondContact O-CA 3.45Å; I321-I336 HydrophobicContact CG2-CG1 4.13Å; I321-I336 HydrophobicContact CG2-CG2 4.35Å; L334-I336 HydrophobicContact CD2-CG1 4.2Å; L334-I336 HydrophobicContact CG-CG1 4.36Å; I336-Q375 CarbonylContact O-C 3.54Å; I336-Q375 WeakPolarHBondContact O-CA 3.38Å; I336-L376 HydrophobicContact CB-CB 4.32Å; I336-L376 WeakPolarHBondContact CB-O 3.36Å; I336-L376 HydrophobicContact CD1-CD2 4.23Å; I336-L376 HydrophobicContact CD1-CG 4.44Å; I336-L376 PolarHBondContact N-O 2.86Å; I336-L376 PolarHBondContact O-N 3.12Å; I336-V378 HydrophobicContact CD1-CG2 3.8Å; I336-V378 HydrophobicContact CG1-CG2 4.45Å; I336-I390 HydrophobicContact CD1-CG2 3.71Å
337Y93.8Very high90.7Very high54 Ų5444.9 Ų44.921%0.21225%0.249CC..EExtended strand (participates in β ladder)trans-98.5127178.3-65.9-104.6000109.1L319 R320 A322 T335 Q375L319-Y337 WeakPolarHBondContact CB-O 3.36Å; L319-Y337 PolarHBondContact N-O 2.87Å; R320-Y337 HydrophobicContact CG-CD2 3.78Å; R320-Y337 HydrophobicContact CG-CG 4Å; R320-Y337 VanDerWaalsContact NE-CD2 3.3Å; R320-Y337 PolarHBondContact O-N 2.92Å; A322-Y337 HydrophobicContact CB-CE2 4.37Å; T335-Y337 HydrophobicContact CG2-CD2 4.16Å; T335-Y337 HydrophobicContact CG2-CE2 3.62Å; Y337-Q375 HydrophobicContact CD1-CG 3.89Å; Y337-Q375 HydrophobicContact CE1-CG 3.98Å
338C93.2Very high90.6Very high0 Ų049.1 Ų49.10%027%0.265CS..EExtended strand (participates in β ladder)trans-125.5151.4-165.6-50.20000111E317 L318 L341 S374E317-C338 CarbonylContact O-C 3.59Å; E317-C338 VanDerWaalsContact O-CA 3.22Å; E317-C338 WeakPolarHBondContact O-CA 3.44Å; L318-C338 HydrophobicContact CD2-CB 4.1Å; L318-C338 WeakPolarHBondContact CD2-SG 3.43Å; C338-L341 HydrophobicContact CB-CB 3.77Å; C338-L341 HydrophobicContact CB-CD2 3.93Å; C338-S374 PolarHBondContact N-O 3.11Å; C338-S374 PolarHBondContact O-N 3.03Å
339R91.3Very high90.7Very high83 Ų8348.6 Ų48.631%0.31326%0.261SS..EExtended strand (participates in β ladder)trans-111.4143.6163.4-63.9-172.981.4-160.25.6111.2P316 E317 L319 L341 D372 L373P316-R339 VanDerWaalsContact CA-O 3.27Å; P316-R339 WeakPolarHBondContact CA-O 3.47Å; E317-R339 HydrophobicContact CB-CB 4.46Å; E317-R339 PolarHBondContact N-O 2.75Å; E317-R339 PolarHBondContact O-N 2.83Å; L319-R339 HydrophobicContact CD1-CG 3.83Å; L319-R339 HydrophobicContact CD2-CG 4.33Å; L319-R339 HydrophobicContact CG-CG 4.21Å; R339-L341 PolarHBondContact O-N 3.45Å; R339-D372 CarbonylContact C-O 3.5Å; R339-D372 WeakPolarHBondContact CA-O 3.41Å; R339-D372 WeakPolarHBondContact CB-O 3.48Å; R339-D372 IonicContact CZ-OD2 3.53Å; R339-D372 VanDerWaalsContact CZ-OD2 3.31Å; R339-D372 IonicContact NE-OD2 2.6Å; R339-D372 PolarHBondContact NE-OD2 3.47Å; R339-D372 IonicContact NH2-OD2 3.01Å; R339-D372 PolarHBondContact NH2-OD2 3.31Å; R339-L373 HydrophobicContact CG-CD2 3.96Å
340F90.1Very high91.1Very high63 Ų6348.3 Ų48.328%0.27626%0.256SS..SBendtrans54.26.3177.8-46-66.6000116.4S314 T342 I345 D372S314-F340 WeakPolarHBondContact O-CB 3.29Å; S314-F340 WeakPolarHBondContact OG-CD1 3.46Å; S314-F340 WeakPolarHBondContact OG-CG 3.47Å; F340-T342 PolarHBondContact O-N 2.9Å; F340-I345 WeakPolarHBondContact O-CD1 3.47Å; F340-D372 HydrophobicContact CD1-CB 4.08Å; F340-D372 HydrophobicContact CE1-CB 3.56Å; F340-D372 HydrophobicContact CZ-CB 4.15Å; F340-D372 PolarHBondContact N-O 2.98Å
341L91.2Very high91.5Very high2 Ų248 Ų481%0.0125%0.252CS..  trans-79.7109.9176.1-173.472.8000109.1P316 L318 C338 R339 I345 M346 L365 S374 L376 I392 I400P316-L341 HydrophobicContact CB-CB 4.13Å; P316-L341 HydrophobicContact CB-CD1 3.99Å; L318-L341 HydrophobicContact CD2-CD2 4.16Å; C338-L341 HydrophobicContact CB-CB 3.77Å; C338-L341 HydrophobicContact CB-CD2 3.93Å; R339-L341 PolarHBondContact O-N 3.45Å; L341-I345 HydrophobicContact CD1-CB 4.47Å; L341-I345 HydrophobicContact CD1-CG2 3.99Å; L341-M346 HydrophobicContact CD1-CG 4.24Å; L341-M346 HydrophobicContact CD1-SD 3.73Å; L341-M346 HydrophobicContact CD2-CG 4.37Å; L341-M346 HydrophobicContact CD2-SD 3.94Å; L341-M346 HydrophobicContact CG-CG 4.13Å; L341-M346 HydrophobicContact CG-SD 4.03Å; L341-L365 HydrophobicContact CD2-CD1 3.85Å; L341-L365 HydrophobicContact CG-CD1 4.24Å; L341-S374 WeakPolarHBondContact O-CB 3.49Å; L341-S374 PolarHBondContact O-OG 2.73Å; L341-L376 HydrophobicContact CD2-CB 4.33Å; L341-L376 HydrophobicContact CD2-CD2 4.4Å; L341-I392 HydrophobicContact CD1-CD1 4.02Å; L341-I392 HydrophobicContact CD2-CD1 3.57Å; L341-I392 HydrophobicContact CG-CD1 4.46Å; L341-I400 HydrophobicContact CD1-CD1 4.49Å
342T90.3Very high92Very high55 Ų5546.3 Ų46.334%0.33723%0.225SC..  trans-108.1165-178.165.80000112.1F340 E344 I345 M346F340-T342 PolarHBondContact O-N 2.9Å; T342-E344 PolarHBondContact O-N 3.09Å; T342-I345 PolarHBondContact O-N 3.05Å; T342-M346 WeakPolarHBondContact O-CG 3.48Å; T342-M346 PolarHBondContact O-N 2.72Å
343T89.6Confident92.3Very high65 Ų6545.1 Ų45.140%0.39922%0.218SC..Hα-helixtrans-60.2-31.4175.7-59.50000111.3M346 K347 E367T343-M346 PolarHBondContact O-N 2.91Å; T343-K347 WeakPolarHBondContact O-CG 3.39Å; T343-K347 PolarHBondContact O-N 2.9Å; T343-E367 WeakPolarHBondContact CB-OE1 3.41Å; T343-E367 PolarHBondContact N-OE1 3.33Å; T343-E367 PolarHBondContact OG1-OE1 3.48Å
344E87.2Confident92.2Very high124 Ų12441.7 Ų41.758%0.57920%0.204SC*.Hα-helixtrans-63.9-47.8176.7-155.664-131.600111.4T342 M346 K347T342-E344 PolarHBondContact O-N 3.09Å; E344-M346 VanDerWaalsContact C-N 3.3Å; E344-M346 PolarHBondContact O-N 2.92Å; E344-K347 PolarHBondContact O-N 2.79Å; E344-K347 VanDerWaalsContact OE1-CD 3.24Å; E344-K347 WeakPolarHBondContact OE1-CD 3.33Å; E344-K347 IonicContact OE1-NZ 3.15Å; E344-K347 PolarHBondContact OE1-NZ 3.33Å; E344-K347 IonicContact OE2-NZ 3.72Å; E344-K347 PolarHBondContact OE2-NZ 2.86Å
345I90.3Very high92Very high14 Ų1448.5 Ų48.57%0.07224%0.241CC..Hα-helixtrans-59.1-46.2173.9-59.9170.1000109.2P316 F340 L341 T342 K347 S349 S394 F397P316-I345 HydrophobicContact CB-CD1 4.49Å; P316-I345 HydrophobicContact CG-CD1 4.29Å; F340-I345 WeakPolarHBondContact O-CD1 3.47Å; L341-I345 HydrophobicContact CD1-CB 4.47Å; L341-I345 HydrophobicContact CD1-CG2 3.99Å; T342-I345 PolarHBondContact O-N 3.05Å; I345-K347 VanDerWaalsContact C-N 3.33Å; I345-K347 PolarHBondContact O-N 2.98Å; I345-S349 WeakPolarHBondContact O-CB 3.01Å; I345-S349 PolarHBondContact O-OG 2.75Å; I345-S394 WeakPolarHBondContact CG2-OG 3.32Å; I345-F397 HydrophobicContact CD1-CD2 4.19Å; I345-F397 HydrophobicContact CD1-CE2 3.58Å; I345-F397 HydrophobicContact CD1-CZ 4.47Å; I345-F397 HydrophobicContact CG1-CD2 4.45Å; I345-F397 HydrophobicContact CG1-CE2 3.95Å; I345-F397 HydrophobicContact CG2-CD2 4.25Å
346M92.1Very high91.9Very high2 Ų252 Ų521%0.0126%0.255CS..Hα-helixtrans-70-19.6-177.8-66.6-55.5-66.200114.9L341 T342 T343 E344 Q348 S349 V351 W363 L365 L376 I392L341-M346 HydrophobicContact CD1-CG 4.24Å; L341-M346 HydrophobicContact CD1-SD 3.73Å; L341-M346 HydrophobicContact CD2-CG 4.37Å; L341-M346 HydrophobicContact CD2-SD 3.94Å; L341-M346 HydrophobicContact CG-CG 4.13Å; L341-M346 HydrophobicContact CG-SD 4.03Å; T342-M346 WeakPolarHBondContact O-CG 3.48Å; T342-M346 PolarHBondContact O-N 2.72Å; T343-M346 PolarHBondContact O-N 2.91Å; E344-M346 VanDerWaalsContact C-N 3.3Å; E344-M346 PolarHBondContact O-N 2.92Å; M346-Q348 PolarHBondContact O-N 3.5Å; M346-S349 PolarHBondContact O-N 3.13Å; M346-V351 HydrophobicContact CE-CG2 3.76Å; M346-W363 HydrophobicContact CB-CH2 4.23Å; M346-W363 HydrophobicContact CB-CZ3 4.08Å; M346-W363 HydrophobicContact CE-CD2 4.39Å; M346-W363 HydrophobicContact CE-CE3 3.76Å; M346-W363 HydrophobicContact CE-CH2 3.52Å; M346-W363 HydrophobicContact CE-CZ2 4.14Å; M346-W363 HydrophobicContact CE-CZ3 3.3Å; M346-W363 WeakPolarHBondContact O-CH2 3.39Å; M346-L365 HydrophobicContact CG-CD2 4.01Å; M346-L376 HydrophobicContact CE-CD1 4.03Å; M346-L376 HydrophobicContact CE-CD2 4.07Å; M346-I392 HydrophobicContact CE-CD1 4.31Å; M346-I392 HydrophobicContact CE-CG2 4.32Å; M346-I392 HydrophobicContact SD-CD1 3.93Å; M346-I392 HydrophobicContact SD-CG2 3.99Å
347K88.5Confident91.9Very high128 Ų12856.1 Ų56.156%0.55728%0.283SS*.Hα-helixtrans-57.9-34.6178.2-83.4167-177.8171.30113.5T343 E344 I345T343-K347 WeakPolarHBondContact O-CG 3.39Å; T343-K347 PolarHBondContact O-N 2.9Å; E344-K347 PolarHBondContact O-N 2.79Å; E344-K347 VanDerWaalsContact OE1-CD 3.24Å; E344-K347 WeakPolarHBondContact OE1-CD 3.33Å; E344-K347 IonicContact OE1-NZ 3.15Å; E344-K347 PolarHBondContact OE1-NZ 3.33Å; E344-K347 IonicContact OE2-NZ 3.72Å; E344-K347 PolarHBondContact OE2-NZ 2.86Å; I345-K347 VanDerWaalsContact C-N 3.33Å; I345-K347 PolarHBondContact O-N 2.98Å
348Q86.9Confident91.9Very high140 Ų14054.2 Ų54.265%0.65428%0.276SS*.THydrogen-bonded Turntrans-115.810.7-178.5-57.6-17113.700112.9M346 V395M346-Q348 PolarHBondContact O-N 3.5Å; Q348-V395 HydrophobicContact CB-CG2 3.89Å
349S93.4Very high91.8Very high6 Ų656.9 Ų56.94%0.04230%0.295CS..  trans-101.6153.7-179.7-57.20000112.3I345 M346 D393 S394I345-S349 WeakPolarHBondContact O-CB 3.01Å; I345-S349 PolarHBondContact O-OG 2.75Å; M346-S349 PolarHBondContact O-N 3.13Å; S349-D393 CarbonylContact C-O 3.56Å; S349-D393 WeakPolarHBondContact CA-O 3.13Å; S349-D393 VanDerWaalsContact CB-O 3.32Å; S349-D393 WeakPolarHBondContact CB-O 3.4Å; S349-S394 WeakPolarHBondContact OG-CA 3.3Å; S349-S394 VanDerWaalsContact OG-CB 3.24Å; S349-S394 WeakPolarHBondContact OG-CB 3.43Å; S349-S394 PolarHBondContact OG-OG 2.89Å
350T94.3Very high91.8Very high71 Ų7159.2 Ų59.244%0.43630%0.304SS..EExtended strand (participates in β ladder)trans-121.2138.3175.941.80000111.2F352 I392 D393T350-F352 WeakPolarHBondContact OG1-CE2 3.13Å; T350-I392 CarbonylContact O-C 3.56Å; T350-I392 WeakPolarHBondContact O-CA 3.25Å; T350-D393 PolarHBondContact N-O 3.06Å; T350-D393 PolarHBondContact O-N 3.49Å
351V96.2Very high91.9Very high0 Ų063.3 Ų63.30%033%0.328CS..EExtended strand (participates in β ladder)trans-96.2135.6-178.7-176.30000109.4M346 V358 W363 L376 V378 I392M346-V351 HydrophobicContact CE-CG2 3.76Å; V351-V358 HydrophobicContact CB-CB 4.44Å; V351-V358 HydrophobicContact CG1-CG2 4.41Å; V351-V358 PolarHBondContact O-N 3.15Å; V351-W363 HydrophobicContact CB-CG 4.32Å; V351-W363 HydrophobicContact CG2-CD2 3.73Å; V351-W363 HydrophobicContact CG2-CE3 4.33Å; V351-W363 HydrophobicContact CG2-CG 3.82Å; V351-W363 HydrophobicContact CG2-CZ2 4.28Å; V351-L376 HydrophobicContact CG2-CD2 3.97Å; V351-V378 HydrophobicContact CG1-CG1 4.31Å; V351-V378 HydrophobicContact CG1-CG2 4.12Å; V351-I392 HydrophobicContact CG2-CG1 4.44Å
352F96.3Very high92Very high36 Ų3666.7 Ų66.716%0.15835%0.347CS..EExtended strand (participates in β ladder)trans-126.7145-179.1-69.7-97.3000112.3T350 H356 P357 I390 Y391 D393T350-F352 WeakPolarHBondContact OG1-CE2 3.13Å; F352-H356 WeakPolarHBondContact CA-O 3.33Å; F352-P357 HydrophobicContact CD1-CB 3.97Å; F352-P357 HydrophobicContact CE1-CB 3.7Å; F352-P357 HydrophobicContact CE1-CG 4.33Å; F352-P357 HydrophobicContact CZ-CB 4.26Å; F352-I390 WeakPolarHBondContact O-CA 3.45Å; F352-Y391 HydrophobicContact CB-CD1 4.16Å; F352-Y391 HydrophobicContact CB-CD2 3.85Å; F352-Y391 HydrophobicContact CB-CE1 3.78Å; F352-Y391 HydrophobicContact CB-CE2 3.46Å; F352-Y391 VanDerWaalsContact CB-CE2 3.46Å; F352-Y391 HydrophobicContact CB-CG 4.19Å; F352-Y391 HydrophobicContact CD1-CE2 4.16Å; F352-Y391 AromaticContact CD2-CD2 3.85Å; F352-Y391 HydrophobicContact CD2-CD2 3.85Å; F352-Y391 AromaticContact CD2-CE2 3.37Å; F352-Y391 HydrophobicContact CD2-CE2 3.37Å; F352-Y391 HydrophobicContact CE2-CE2 4.09Å; F352-Y391 HydrophobicContact CG-CD2 4.1Å; F352-Y391 HydrophobicContact CG-CE1 4.48Å; F352-Y391 AromaticContact CG-CE2 3.41Å; F352-Y391 HydrophobicContact CG-CE2 3.41Å; F352-Y391 VanDerWaalsContact CG-CE2 3.41Å; F352-Y391 AromaticContact CG-CZ 3.63Å; F352-Y391 PolarHBondContact N-O 3.03Å; F352-Y391 PolarHBondContact O-N 3.02Å; F352-D393 HydrophobicContact CD2-CB 4.31Å; F352-D393 HydrophobicContact CE2-CB 3.81Å
353V95Very high92.2Very high0 Ų064.4 Ų64.40%033%0.332CS..EExtended strand (participates in β ladder)trans-118.7100169.5-178.60000107.2D355 H356 V358 M380 L383 Y388 I390 Y408V353-D355 PolarHBondContact O-N 2.92Å; V353-H356 PolarHBondContact N-O 2.82Å; V353-H356 PolarHBondContact O-N 2.77Å; V353-H356 VanDerWaalsContact O-N 3.1Å; V353-V358 HydrophobicContact CG2-CG2 3.79Å; V353-M380 HydrophobicContact CB-CE 4.48Å; V353-M380 HydrophobicContact CG1-CE 3.77Å; V353-M380 HydrophobicContact CG2-CE 3.8Å; V353-M380 HydrophobicContact CG2-SD 4.03Å; V353-L383 HydrophobicContact CB-CD1 4.24Å; V353-L383 HydrophobicContact CG1-CD1 3.68Å; V353-Y388 HydrophobicContact CG1-CD1 4.3Å; V353-Y388 HydrophobicContact CG1-CG 4.18Å; V353-I390 HydrophobicContact CG2-CG1 4.44Å; V353-Y408 HydrophobicContact CG1-CE2 3.94Å
354G91.8Very high92.4Very high10 Ų1065.2 Ų65.210%0.10333%0.33CS..THydrogen-bonded Turntrans55.8-123-162.200000111.1S389 Y391G354-S389 PolarHBondContact N-O 3.14Å; G354-Y391 WeakPolarHBondContact O-CE1 3.09Å; G354-Y391 PolarHBondContact O-OH 2.8Å
355D90.4Very high92.7Very high143 Ų14360.6 Ų60.677%0.76531%0.309SS*.THydrogen-bonded Turntrans-90.96.7178.2-56.3-49.1000113.7V353V353-D355 PolarHBondContact O-N 2.92Å
356H92.2Very high92.6Very high95 Ų9563.2 Ų63.244%0.4432%0.323SS..EExtended strand (participates in β ladder)trans-101116.7-180-76.924.8000111.6F352 V353 L383F352-H356 WeakPolarHBondContact CA-O 3.33Å; V353-H356 PolarHBondContact N-O 2.82Å; V353-H356 PolarHBondContact O-N 2.77Å; V353-H356 VanDerWaalsContact O-N 3.1Å; H356-L383 VanDerWaalsContact CD2-CD2 3.41Å; H356-L383 WeakPolarHBondContact CD2-CD2 3.27Å
357P94.8Very high92.3Very high88 Ų8867.7 Ų67.757%0.57134%0.344SS*.EExtended strand (participates in β ladder)trans-70.5138.8171.229.3-33000110.4F352F352-P357 HydrophobicContact CD1-CB 3.97Å; F352-P357 HydrophobicContact CE1-CB 3.7Å; F352-P357 HydrophobicContact CE1-CG 4.33Å; F352-P357 HydrophobicContact CZ-CB 4.26Å
358V94.1Very high91.9Very high13 Ų1364 Ų648%0.07934%0.335CS..PPolyproline II helixtrans-91.2137.4175.7-173.60000109.4V351 V353 D362 V378V351-V358 HydrophobicContact CB-CB 4.44Å; V351-V358 HydrophobicContact CG1-CG2 4.41Å; V351-V358 PolarHBondContact O-N 3.15Å; V353-V358 HydrophobicContact CG2-CG2 3.79Å; V358-D362 HydrophobicContact CG1-CB 3.52Å; V358-V378 HydrophobicContact CB-CG1 4.39Å; V358-V378 HydrophobicContact CG1-CG1 3.92Å; V358-V378 HydrophobicContact CG2-CG1 4.01Å
359S92.7Very high91.1Very high56 Ų5663.7 Ų63.739%0.39235%0.348SS..PPolyproline II helixtrans-59151.3-179.2-168.60000111.6D361 D362 W363S359-D361 PolarHBondContact O-N 2.98Å; S359-D362 WeakPolarHBondContact CB-OD2 3.09Å; S359-D362 PolarHBondContact O-N 3Å; S359-W363 PolarHBondContact O-NE1 3.18Å
360R90.9Very high89.9Confident132 Ų13268 Ų6850%0.49837%0.367SS..G310 helixtrans-62.1-28.2177.3-176.360.5-167.193.1-15.4112.4W363R360-W363 VanDerWaalsContact CZ-CH2 3.43Å; R360-W363 PolarHBondContact NH1-O 3.4Å
361D92.2Very high88.5Confident149 Ų14970.9 Ų70.980%0.79739%0.39SS*.G310 helixtrans-79.1-20.4176.9-54.7-52.7000112.9S359S359-D361 PolarHBondContact O-N 2.98Å
362D93.1Very high87.9Confident73 Ų7372.5 Ų72.539%0.3940%0.399SS..G310 helixtrans-88.62-177.9-72-45.2000112.8V358 S359 H379V358-D362 HydrophobicContact CG1-CB 3.52Å; S359-D362 WeakPolarHBondContact CB-OD2 3.09Å; S359-D362 PolarHBondContact O-N 3Å; D362-H379 HydrophobicContact CB-CB 4.21Å; D362-H379 PolarHBondContact O-N 3.16Å
363W93.9Very high87.4Confident7 Ų772.4 Ų72.43%0.02740%0.4CS..EExtended strand (participates in β ladder)trans-144149173.963.4-99.7000114.4M346 V351 S359 R360 L376 R377 V378M346-W363 HydrophobicContact CB-CH2 4.23Å; M346-W363 HydrophobicContact CB-CZ3 4.08Å; M346-W363 HydrophobicContact CE-CD2 4.39Å; M346-W363 HydrophobicContact CE-CE3 3.76Å; M346-W363 HydrophobicContact CE-CH2 3.52Å; M346-W363 HydrophobicContact CE-CZ2 4.14Å; M346-W363 HydrophobicContact CE-CZ3 3.3Å; M346-W363 WeakPolarHBondContact O-CH2 3.39Å; V351-W363 HydrophobicContact CB-CG 4.32Å; V351-W363 HydrophobicContact CG2-CD2 3.73Å; V351-W363 HydrophobicContact CG2-CE3 4.33Å; V351-W363 HydrophobicContact CG2-CG 3.82Å; V351-W363 HydrophobicContact CG2-CZ2 4.28Å; S359-W363 PolarHBondContact O-NE1 3.18Å; R360-W363 VanDerWaalsContact CZ-CH2 3.43Å; R360-W363 PolarHBondContact NH1-O 3.4Å; W363-L376 HydrophobicContact CB-CD1 4.28Å; W363-L376 HydrophobicContact CD2-CD1 4.39Å; W363-L376 HydrophobicContact CE3-CD1 3.79Å; W363-R377 CarbonylContact C-O 3.55Å; W363-R377 WeakPolarHBondContact CA-O 3.34Å; W363-R377 WeakPolarHBondContact CB-O 3.39Å; W363-V378 HydrophobicContact CB-CG1 4.49Å; W363-V378 HydrophobicContact CB-CG2 4.25Å
364F93.2Very high87.2Confident82 Ų8272.7 Ų72.736%0.3640%0.402SS..EExtended strand (participates in β ladder)trans-146.5151.2174.969-89.3000112.5D366 R377F364-D366 HydrophobicContact CE2-CB 4.45Å; F364-R377 HydrophobicContact CD1-CB 4.13Å; F364-R377 HydrophobicContact CE1-CB 3.79Å; F364-R377 HydrophobicContact CE1-CG 4.29Å; F364-R377 HydrophobicContact CE2-CB 4.31Å; F364-R377 HydrophobicContact CE2-CG 4.05Å; F364-R377 HydrophobicContact CZ-CB 3.9Å; F364-R377 VanDerWaalsContact CZ-CD 3.48Å; F364-R377 HydrophobicContact CZ-CG 3.87Å; F364-R377 PolarHBondContact N-O 2.86Å; F364-R377 PolarHBondContact O-N 3.33Å
365L93.5Very high87.3Confident27 Ų2775.2 Ų75.214%0.14141%0.411CS..EExtended strand (participates in β ladder)trans-99.3135.3175.5-170.274.4000109.7L341 M346 E367 L376L341-L365 HydrophobicContact CD2-CD1 3.85Å; L341-L365 HydrophobicContact CG-CD1 4.24Å; M346-L365 HydrophobicContact CG-CD2 4.01Å; L365-E367 HydrophobicContact CD2-CG 3.99Å; L365-E367 HydrophobicContact CG-CG 4.41Å; L365-L376 HydrophobicContact CD1-CB 4.04Å
366D90Very high87.5Confident69 Ų6968.4 Ų68.437%0.36937%0.374SS..EExtended strand (participates in β ladder)trans-117.8100.7176.5-165.64.5000106.9F364 S374 Q375 R377F364-D366 HydrophobicContact CE2-CB 4.45Å; D366-S374 WeakPolarHBondContact O-CA 3.35Å; D366-Q375 HydrophobicContact CB-CB 4.3Å; D366-Q375 PolarHBondContact N-O 2.88Å; D366-Q375 PolarHBondContact O-N 3.27Å; D366-R377 IonicContact OD2-NH2 3.05Å; D366-R377 PolarHBondContact OD2-NH2 2.99Å
367E85.8Confident87.7Confident97 Ų9767.1 Ų67.145%0.45337%0.366SS..EExtended strand (participates in β ladder)trans-78.1132.6-178.2-74.2179-162.800110.9T343 L365T343-E367 WeakPolarHBondContact CB-OE1 3.41Å; T343-E367 PolarHBondContact N-OE1 3.33Å; T343-E367 PolarHBondContact OG1-OE1 3.48Å; L365-E367 HydrophobicContact CD2-CG 3.99Å; L365-E367 HydrophobicContact CG-CG 4.41Å
368S78.5Confident87.7Confident51 Ų5162.9 Ų62.936%0.35734%0.338SS..  trans-73156.9175.9-169.60000111Q370 L373S368-Q370 PolarHBondContact O-N 3.48Å; S368-Q370 PolarHBondContact OG-N 3.36Å; S368-L373 WeakPolarHBondContact CB-O 3.26Å; S368-L373 PolarHBondContact N-O 3.11Å
369S71.4Confident87.8Confident132 Ų13265.6 Ų65.692%0.92335%0.35SS*.SBendtrans-67.7-6.516356.30000113.3
370Q66.9Low87.8Confident98 Ų9863.1 Ų63.146%0.45833%0.332SS..SBendtrans-92.8118.6166.8-60.3-172.3-45.700109.1S368 D372 L373S368-Q370 PolarHBondContact O-N 3.48Å; S368-Q370 PolarHBondContact OG-N 3.36Å; Q370-D372 PolarHBondContact O-N 3.41Å; Q370-L373 PolarHBondContact O-N 2.94Å; Q370-L373 VanDerWaalsContact O-N 3.14Å
371S66.4Low88Confident130 Ų13058.7 Ų58.791%0.90932%0.32SS*.THydrogen-bonded Turntrans-63.3-12-168.850.20000116.1
372D82.3Confident88Confident35 Ų3555.7 Ų55.719%0.18731%0.311CS..THydrogen-bonded Turntrans-100.9-2.6179.680.3-51000114.1R339 F340 Q370R339-D372 CarbonylContact C-O 3.5Å; R339-D372 WeakPolarHBondContact CA-O 3.41Å; R339-D372 WeakPolarHBondContact CB-O 3.48Å; R339-D372 IonicContact CZ-OD2 3.53Å; R339-D372 VanDerWaalsContact CZ-OD2 3.31Å; R339-D372 IonicContact NE-OD2 2.6Å; R339-D372 PolarHBondContact NE-OD2 3.47Å; R339-D372 IonicContact NH2-OD2 3.01Å; R339-D372 PolarHBondContact NH2-OD2 3.31Å; F340-D372 HydrophobicContact CD1-CB 4.08Å; F340-D372 HydrophobicContact CE1-CB 3.56Å; F340-D372 HydrophobicContact CZ-CB 4.15Å; F340-D372 PolarHBondContact N-O 2.98Å; Q370-D372 PolarHBondContact O-N 3.41Å
373L85.7Confident88Confident33 Ų3353 Ų5317%0.17330%0.297CS..EExtended strand (participates in β ladder)trans-130.8139.4-168.3-78.9163.8000113.8R23 R339 S368 Q370R23-L373 VanDerWaalsContact NH1-CD1 3.33Å; R339-L373 HydrophobicContact CG-CD2 3.96Å; S368-L373 WeakPolarHBondContact CB-O 3.26Å; S368-L373 PolarHBondContact N-O 3.11Å; Q370-L373 PolarHBondContact O-N 2.94Å; Q370-L373 VanDerWaalsContact O-N 3.14Å
374S91.8Very high87.8Confident6 Ų659.5 Ų59.54%0.04233%0.327CS..EExtended strand (participates in β ladder)trans-148.4167.4173.857.20000111.8C338 L341 D366C338-S374 PolarHBondContact N-O 3.11Å; C338-S374 PolarHBondContact O-N 3.03Å; L341-S374 WeakPolarHBondContact O-CB 3.49Å; L341-S374 PolarHBondContact O-OG 2.73Å; D366-S374 WeakPolarHBondContact O-CA 3.35Å
375Q93.3Very high87.6Confident63 Ų6357.4 Ų57.429%0.29432%0.322SS..EExtended strand (participates in β ladder)trans-125.4114177.2-69.3174.567.900109.5T335 I336 Y337 D366T335-Q375 HydrophobicContact CG2-CB 4.15Å; T335-Q375 HydrophobicContact CG2-CG 4.28Å; I336-Q375 CarbonylContact O-C 3.54Å; I336-Q375 WeakPolarHBondContact O-CA 3.38Å; Y337-Q375 HydrophobicContact CD1-CG 3.89Å; Y337-Q375 HydrophobicContact CE1-CG 3.98Å; D366-Q375 HydrophobicContact CB-CB 4.3Å; D366-Q375 PolarHBondContact N-O 2.88Å; D366-Q375 PolarHBondContact O-N 3.27Å
376L95.5Very high87.6Confident0 Ų057.4 Ų57.40%033%0.329CS..EExtended strand (participates in β ladder)trans-89.5116.6170.9172.460.6000108.6I336 L341 M346 V351 W363 L365 V378 I392I336-L376 HydrophobicContact CB-CB 4.32Å; I336-L376 WeakPolarHBondContact CB-O 3.36Å; I336-L376 HydrophobicContact CD1-CD2 4.23Å; I336-L376 HydrophobicContact CD1-CG 4.44Å; I336-L376 PolarHBondContact N-O 2.86Å; I336-L376 PolarHBondContact O-N 3.12Å; L341-L376 HydrophobicContact CD2-CB 4.33Å; L341-L376 HydrophobicContact CD2-CD2 4.4Å; M346-L376 HydrophobicContact CE-CD1 4.03Å; M346-L376 HydrophobicContact CE-CD2 4.07Å; V351-L376 HydrophobicContact CG2-CD2 3.97Å; W363-L376 HydrophobicContact CB-CD1 4.28Å; W363-L376 HydrophobicContact CD2-CD1 4.39Å; W363-L376 HydrophobicContact CE3-CD1 3.79Å; L365-L376 HydrophobicContact CD1-CB 4.04Å; L376-V378 HydrophobicContact CD1-CG2 4.44Å; L376-V378 HydrophobicContact CD2-CG2 4.4Å; L376-V378 HydrophobicContact CG-CG2 3.95Å; L376-I392 HydrophobicContact CD2-CD1 3.53Å; L376-I392 HydrophobicContact CD2-CG1 4.03Å
377R95.2Very high87.7Confident68 Ų6861.4 Ų61.426%0.25734%0.339SS..EExtended strand (participates in β ladder)trans-97.8138.9174-52.4-153.1-152.81697.4110.8E333 L334 W363 F364 D366E333-R377 WeakPolarHBondContact OE1-CD 3.46Å; E333-R377 IonicContact OE1-CZ 3.93Å; E333-R377 IonicContact OE1-NE 2.72Å; E333-R377 IonicContact OE1-NH1 3.31Å; E333-R377 PolarHBondContact OE1-NH1 3.44Å; L334-R377 CarbonylContact O-C 3.57Å; L334-R377 VanDerWaalsContact O-CA 3.29Å; L334-R377 WeakPolarHBondContact O-CA 3.21Å; W363-R377 CarbonylContact C-O 3.55Å; W363-R377 WeakPolarHBondContact CA-O 3.34Å; W363-R377 WeakPolarHBondContact CB-O 3.39Å; F364-R377 HydrophobicContact CD1-CB 4.13Å; F364-R377 HydrophobicContact CE1-CB 3.79Å; F364-R377 HydrophobicContact CE1-CG 4.29Å; F364-R377 HydrophobicContact CE2-CB 4.31Å; F364-R377 HydrophobicContact CE2-CG 4.05Å; F364-R377 HydrophobicContact CZ-CB 3.9Å; F364-R377 VanDerWaalsContact CZ-CD 3.48Å; F364-R377 HydrophobicContact CZ-CG 3.87Å; F364-R377 PolarHBondContact N-O 2.86Å; F364-R377 PolarHBondContact O-N 3.33Å; D366-R377 IonicContact OD2-NH2 3.05Å; D366-R377 PolarHBondContact OD2-NH2 2.99Å
378V95.9Very high88.2Confident0 Ų059 Ų590%033%0.326CS..EExtended strand (participates in β ladder)trans-138120.8-172.6-170.60000109.1L334 I336 V351 V358 W363 L376 M380L334-V378 HydrophobicContact CB-CB 4.44Å; L334-V378 WeakPolarHBondContact CB-O 3.45Å; L334-V378 PolarHBondContact N-O 3.43Å; L334-V378 PolarHBondContact O-N 3.13Å; I336-V378 HydrophobicContact CD1-CG2 3.8Å; I336-V378 HydrophobicContact CG1-CG2 4.45Å; V351-V378 HydrophobicContact CG1-CG1 4.31Å; V351-V378 HydrophobicContact CG1-CG2 4.12Å; V358-V378 HydrophobicContact CB-CG1 4.39Å; V358-V378 HydrophobicContact CG1-CG1 3.92Å; V358-V378 HydrophobicContact CG2-CG1 4.01Å; W363-V378 HydrophobicContact CB-CG1 4.49Å; W363-V378 HydrophobicContact CB-CG2 4.25Å; L376-V378 HydrophobicContact CD1-CG2 4.44Å; L376-V378 HydrophobicContact CD2-CG2 4.4Å; L376-V378 HydrophobicContact CG-CG2 3.95Å; V378-M380 HydrophobicContact CB-SD 4.44Å; V378-M380 HydrophobicContact CG1-SD 4.11Å; V378-M380 PolarHBondContact O-N 2.94Å
379H95Very high88.9Confident70 Ų7058.8 Ų58.832%0.32432%0.324SS..EExtended strand (participates in β ladder)trans-78112.3169.1-70.1-73.3000108.9D362D362-H379 HydrophobicContact CB-CB 4.21Å; D362-H379 PolarHBondContact O-N 3.16Å
380M94.4Very high90.1Very high3 Ų352.6 Ų52.62%0.01528%0.281CS..PPolyproline II helixtrans-72.2124.4-171.1-64.6-58.5-81.200110.9G330 G331 T332 L334 V353 V378 I390 F406 Y408G330-M380 CarbonylContact C-O 3.58Å; G330-M380 VanDerWaalsContact CA-O 3.23Å; G330-M380 WeakPolarHBondContact CA-O 3.22Å; G331-M380 PolarHBondContact N-O 2.96Å; T332-M380 WeakPolarHBondContact O-CB 3.48Å; T332-M380 WeakPolarHBondContact O-CG 3.29Å; T332-M380 PolarHBondContact O-N 3.49Å; L334-M380 HydrophobicContact CB-CG 3.73Å; L334-M380 HydrophobicContact CB-SD 3.81Å; L334-M380 HydrophobicContact CD2-CE 3.94Å; L334-M380 HydrophobicContact CD2-CG 4.41Å; L334-M380 HydrophobicContact CD2-SD 3.58Å; L334-M380 VanDerWaalsContact CD2-SD 3.58Å; L334-M380 HydrophobicContact CG-SD 4.31Å; V353-M380 HydrophobicContact CB-CE 4.48Å; V353-M380 HydrophobicContact CG1-CE 3.77Å; V353-M380 HydrophobicContact CG2-CE 3.8Å; V353-M380 HydrophobicContact CG2-SD 4.03Å; V378-M380 HydrophobicContact CB-SD 4.44Å; V378-M380 HydrophobicContact CG1-SD 4.11Å; V378-M380 PolarHBondContact O-N 2.94Å; M380-I390 HydrophobicContact CE-CD1 4.25Å; M380-F406 HydrophobicContact CE-CB 3.96Å; M380-F406 HydrophobicContact CE-CD1 3.5Å; M380-F406 HydrophobicContact CE-CD2 4.1Å; M380-F406 HydrophobicContact CE-CE1 3.89Å; M380-F406 HydrophobicContact CE-CE2 4.44Å; M380-F406 HydrophobicContact CE-CG 3.6Å; M380-F406 HydrophobicContact CE-CZ 4.32Å; M380-F406 HydrophobicContact CG-CE1 4.45Å; M380-F406 HydrophobicContact CG-CE2 4.44Å; M380-F406 HydrophobicContact CG-CZ 4.18Å; M380-Y408 HydrophobicContact CB-CE1 4.47Å; M380-Y408 HydrophobicContact CE-CE2 4.25Å
381P93.5Very high91.4Very high39 Ų3948.4 Ų48.425%0.25326%0.261SS..PPolyproline II helixtrans-67.3166.8-178.828.3-36000112.2G330 L383 Y408G330-P381 VanDerWaalsContact CA-O 3.29Å; G330-P381 WeakPolarHBondContact CA-O 3.41Å; P381-L383 HydrophobicContact CG-CD1 4.19Å; P381-L383 HydrophobicContact CG-CG 4.49Å; P381-L383 PolarHBondContact O-N 3.36Å; P381-Y408 WeakPolarHBondContact CD-OH 3.48Å; P381-Y408 VanDerWaalsContact O-CE1 3.25Å; P381-Y408 WeakPolarHBondContact O-CE1 3.38Å; P381-Y408 PolarHBondContact O-OH 3.48Å
382S92.6Very high92.9Very high87 Ų8742.2 Ų42.261%0.60822%0.218SC*.PPolyproline II helixtrans-70.1120.8168.457.70000110.1S328S328-S382 WeakPolarHBondContact O-CA 3.47Å
383L92.2Very high93.4Very high15 Ų1543.6 Ų43.68%0.07923%0.225CC..  trans-140.1159.8-176.2-95.1173000110.5S328 V353 H356 P381 Y388 Y408S328-L383 CarbonylContact C-O 3.54Å; S328-L383 VanDerWaalsContact CA-O 3.26Å; S328-L383 WeakPolarHBondContact CA-O 3.26Å; S328-L383 WeakPolarHBondContact CB-O 3.38Å; S328-L383 PolarHBondContact O-N 2.95Å; S328-L383 VanDerWaalsContact O-N 3.09Å; V353-L383 HydrophobicContact CB-CD1 4.24Å; V353-L383 HydrophobicContact CG1-CD1 3.68Å; H356-L383 VanDerWaalsContact CD2-CD2 3.41Å; H356-L383 WeakPolarHBondContact CD2-CD2 3.27Å; P381-L383 HydrophobicContact CG-CD1 4.19Å; P381-L383 HydrophobicContact CG-CG 4.49Å; P381-L383 PolarHBondContact O-N 3.36Å; L383-Y388 HydrophobicContact CD1-CD1 3.83Å; L383-Y388 HydrophobicContact CD1-CE1 3.78Å; L383-Y388 HydrophobicContact CD1-CG 4.32Å; L383-Y388 HydrophobicContact CD2-CE1 3.76Å; L383-Y388 HydrophobicContact CG-CE1 4.28Å; L383-Y408 HydrophobicContact CB-CD1 4.28Å; L383-Y408 HydrophobicContact CB-CD2 3.99Å; L383-Y408 HydrophobicContact CB-CE1 4.02Å; L383-Y408 HydrophobicContact CB-CE2 3.72Å; L383-Y408 HydrophobicContact CB-CG 4.24Å; L383-Y408 HydrophobicContact CD1-CD2 4.42Å; L383-Y408 HydrophobicContact CD1-CE2 3.57Å; L383-Y408 HydrophobicContact CG-CE2 4.28Å
384Q89.7Confident93.8Very high144 Ų14442.4 Ų42.467%0.67322%0.22SC*.  trans-64.9150.5178.2-68.1-64.7-14.100111.2G386 Y388Q384-G386 PolarHBondContact O-N 3.31Å; Q384-Y388 WeakPolarHBondContact O-CE2 3.39Å; Q384-Y388 PolarHBondContact O-OH 3Å
385P90.7Very high93.6Very high38 Ų3847.4 Ų47.425%0.24725%0.25CC..SBendtrans-57.9125.8173.9-2434.8000111.5Y408 H410P385-Y408 CarbonylContact C-O 3.6Å; P385-Y408 WeakPolarHBondContact CA-O 3.44Å; P385-H410 WeakPolarHBondContact CB-ND1 3.27Å; P385-H410 HydrophobicContact CG-CB 4.37Å; P385-H410 WeakPolarHBondContact CG-ND1 3.47Å
386G91.9Very high93.3Very high28 Ų2849 Ų4929%0.28926%0.257SS..EExtended strand (participates in β ladder)trans166.9-177.8-170.700000112.6Q384 T407 Y408Q384-G386 PolarHBondContact O-N 3.31Å; G386-T407 CarbonylContact O-C 3.56Å; G386-T407 WeakPolarHBondContact O-CA 3.4Å; G386-Y408 PolarHBondContact N-O 3.46Å; G386-Y408 PolarHBondContact O-N 3.35Å
387R93.9Very high93.1Very high152 Ų15251.2 Ų51.257%0.57427%0.267SS*.EExtended strand (participates in β ladder)trans-104.5138.3170.9-60.6-165.7-168.5167.31.7109.9E405 F406 T407R387-E405 HydrophobicContact CB-CB 4.43Å; R387-E405 WeakPolarHBondContact CD-OE2 3.38Å; R387-E405 IonicContact NE-OE2 3.97Å; R387-E405 IonicContact NH1-OE2 3.28Å; R387-E405 PolarHBondContact NH1-OE2 3Å; R387-F406 WeakPolarHBondContact CA-O 3.48Å; R387-T407 HydrophobicContact CG-CG2 4.41Å
388Y95Very high92.9Very high48 Ų4849.4 Ų49.419%0.18827%0.27CS..EExtended strand (participates in β ladder)trans-131124.9-177.2-70.2-103.2000108.9V353 L383 Q384 E405 F406 Y408V353-Y388 HydrophobicContact CG1-CD1 4.3Å; V353-Y388 HydrophobicContact CG1-CG 4.18Å; L383-Y388 HydrophobicContact CD1-CD1 3.83Å; L383-Y388 HydrophobicContact CD1-CE1 3.78Å; L383-Y388 HydrophobicContact CD1-CG 4.32Å; L383-Y388 HydrophobicContact CD2-CE1 3.76Å; L383-Y388 HydrophobicContact CG-CE1 4.28Å; Q384-Y388 WeakPolarHBondContact O-CE2 3.39Å; Q384-Y388 PolarHBondContact O-OH 3Å; Y388-E405 WeakPolarHBondContact O-CA 3.24Å; Y388-F406 PolarHBondContact N-O 2.95Å; Y388-F406 PolarHBondContact O-N 3.01Å; Y388-Y408 AromaticContact CD2-CD2 3.49Å; Y388-Y408 HydrophobicContact CD2-CD2 3.49Å; Y388-Y408 VanDerWaalsContact CD2-CD2 3.49Å; Y388-Y408 AromaticContact CD2-CE2 3.99Å; Y388-Y408 HydrophobicContact CD2-CE2 3.99Å; Y388-Y408 AromaticContact CE2-CD2 3.82Å; Y388-Y408 HydrophobicContact CE2-CD2 3.82Å; Y388-Y408 HydrophobicContact CE2-CE2 4.45Å; Y388-Y408 HydrophobicContact CG-CD2 4.2Å; Y388-Y408 HydrophobicContact CG-CE2 4.25Å
389S94.3Very high92.7Very high46 Ų4656.6 Ų56.632%0.32230%0.297SS..  trans-64.5154165.5550000110G354G354-S389 PolarHBondContact N-O 3.14Å
390I95.6Very high92.7Very high1 Ų153.6 Ų53.61%0.00528%0.283CS..EExtended strand (participates in β ladder)trans-125131176.6-63.3164.4000107.8I321 L334 I336 F352 V353 M380 C402 F406I321-I390 HydrophobicContact CD1-CD1 4.3Å; I321-I390 HydrophobicContact CG2-CD1 4.37Å; L334-I390 HydrophobicContact CD2-CD1 3.34Å; I336-I390 HydrophobicContact CD1-CG2 3.71Å; F352-I390 WeakPolarHBondContact O-CA 3.45Å; V353-I390 HydrophobicContact CG2-CG1 4.44Å; M380-I390 HydrophobicContact CE-CD1 4.25Å; I390-C402 HydrophobicContact CB-CB 4.34Å; I390-C402 VanDerWaalsContact O-CB 3.28Å; I390-C402 WeakPolarHBondContact O-CB 3.47Å; I390-C402 PolarHBondContact O-N 2.74Å; I390-F406 HydrophobicContact CD1-CB 3.82Å
391Y95.2Very high92.7Very high11 Ų1158 Ų584%0.04331%0.306CS..EExtended strand (participates in β ladder)trans-144159.8177.158.8-90000111.8F352 G354 R399 I400F352-Y391 HydrophobicContact CB-CD1 4.16Å; F352-Y391 HydrophobicContact CB-CD2 3.85Å; F352-Y391 HydrophobicContact CB-CE1 3.78Å; F352-Y391 HydrophobicContact CB-CE2 3.46Å; F352-Y391 VanDerWaalsContact CB-CE2 3.46Å; F352-Y391 HydrophobicContact CB-CG 4.19Å; F352-Y391 HydrophobicContact CD1-CE2 4.16Å; F352-Y391 AromaticContact CD2-CD2 3.85Å; F352-Y391 HydrophobicContact CD2-CD2 3.85Å; F352-Y391 AromaticContact CD2-CE2 3.37Å; F352-Y391 HydrophobicContact CD2-CE2 3.37Å; F352-Y391 HydrophobicContact CE2-CE2 4.09Å; F352-Y391 HydrophobicContact CG-CD2 4.1Å; F352-Y391 HydrophobicContact CG-CE1 4.48Å; F352-Y391 AromaticContact CG-CE2 3.41Å; F352-Y391 HydrophobicContact CG-CE2 3.41Å; F352-Y391 VanDerWaalsContact CG-CE2 3.41Å; F352-Y391 AromaticContact CG-CZ 3.63Å; F352-Y391 PolarHBondContact N-O 3.03Å; F352-Y391 PolarHBondContact O-N 3.02Å; G354-Y391 WeakPolarHBondContact O-CE1 3.09Å; G354-Y391 PolarHBondContact O-OH 2.8Å; Y391-R399 HydrophobicContact CD2-CG 3.62Å; Y391-R399 HydrophobicContact CE2-CG 4.34Å; Y391-R399 HydrophobicContact CG-CG 3.89Å; Y391-I400 CarbonylContact C-O 3.47Å; Y391-I400 WeakPolarHBondContact CA-O 3.42Å; Y391-I400 VanDerWaalsContact CB-O 3.27Å; Y391-I400 WeakPolarHBondContact CB-O 3.44Å
392I96.1Very high92.6Very high0 Ų056.4 Ų56.40%030%0.296CS..EExtended strand (participates in β ladder)trans-110.7125.8170.3-56.9172.1000106.2L318 L341 M346 T350 V351 L376 R399 I400L318-I392 HydrophobicContact CD1-CD1 3.97Å; L318-I392 HydrophobicContact CD1-CG1 4.01Å; L318-I392 HydrophobicContact CD2-CD1 3.78Å; L318-I392 HydrophobicContact CG-CD1 4.45Å; L341-I392 HydrophobicContact CD1-CD1 4.02Å; L341-I392 HydrophobicContact CD2-CD1 3.57Å; L341-I392 HydrophobicContact CG-CD1 4.46Å; M346-I392 HydrophobicContact CE-CD1 4.31Å; M346-I392 HydrophobicContact CE-CG2 4.32Å; M346-I392 HydrophobicContact SD-CD1 3.93Å; M346-I392 HydrophobicContact SD-CG2 3.99Å; T350-I392 CarbonylContact O-C 3.56Å; T350-I392 WeakPolarHBondContact O-CA 3.25Å; V351-I392 HydrophobicContact CG2-CG1 4.44Å; L376-I392 HydrophobicContact CD2-CD1 3.53Å; L376-I392 HydrophobicContact CD2-CG1 4.03Å; I392-R399 CarbonylContact O-C 3.54Å; I392-R399 WeakPolarHBondContact O-CA 3.45Å; I392-I400 HydrophobicContact CB-CB 4.4Å; I392-I400 HydrophobicContact CB-CD1 4.28Å; I392-I400 HydrophobicContact CG2-CD1 4.35Å; I392-I400 PolarHBondContact N-O 3.39Å; I392-I400 PolarHBondContact O-N 2.89Å
393D94.5Very high92.4Very high64 Ų6457.8 Ų57.834%0.34230%0.296SS..EExtended strand (participates in β ladder)trans-93.9120.2169-154.49.5000108.3S349 T350 F352S349-D393 CarbonylContact C-O 3.56Å; S349-D393 WeakPolarHBondContact CA-O 3.13Å; S349-D393 VanDerWaalsContact CB-O 3.32Å; S349-D393 WeakPolarHBondContact CB-O 3.4Å; T350-D393 PolarHBondContact N-O 3.06Å; T350-D393 PolarHBondContact O-N 3.49Å; F352-D393 HydrophobicContact CD2-CB 4.31Å; F352-D393 HydrophobicContact CE2-CB 3.81Å
394S92.5Very high92.4Very high8 Ų858.1 Ų58.16%0.05630%0.297CS..EExtended strand (participates in β ladder)trans-126.2137.3-170-170.30000111.7I345 S349 E396 G398I345-S394 WeakPolarHBondContact CG2-OG 3.32Å; S349-S394 WeakPolarHBondContact OG-CA 3.3Å; S349-S394 VanDerWaalsContact OG-CB 3.24Å; S349-S394 WeakPolarHBondContact OG-CB 3.43Å; S349-S394 PolarHBondContact OG-OG 2.89Å; S394-E396 PolarHBondContact O-N 2.97Å; S394-G398 WeakPolarHBondContact CB-O 3.41Å; S394-G398 PolarHBondContact N-O 3.46Å; S394-G398 WeakPolarHBondContact O-CA 3.01Å; S394-G398 PolarHBondContact O-N 2.79Å
395V89.1Confident92.5Very high111 Ų11155.8 Ų55.867%0.67329%0.287SS*.THydrogen-bonded Turntrans-62.1-31.3178.6-1790000112.2Q348Q348-V395 HydrophobicContact CB-CG2 3.89Å
396E87.6Confident92.7Very high96 Ų9654 Ų5445%0.44928%0.275SS..THydrogen-bonded Turntrans-90.5-37.5-175.9-174.8166.8-141.800113.5K313 S394K313-E396 VanDerWaalsContact CD-OE1 3.26Å; K313-E396 WeakPolarHBondContact CD-OE1 2.97Å; K313-E396 WeakPolarHBondContact CE-OE1 3.31Å; K313-E396 IonicContact NZ-OE1 2.7Å; K313-E396 PolarHBondContact NZ-OE1 2.82Å; K313-E396 IonicContact NZ-OE2 3.49Å; S394-E396 PolarHBondContact O-N 2.97Å
397F89.6Confident92.8Very high46 Ų4654.7 Ų54.720%0.20227%0.274CS..THydrogen-bonded Turntrans-116.92-172.8-62.1-79.1000114.5K313 K315 P316 I345 I400K313-F397 HydrophobicContact CB-CZ 4.25Å; K315-F397 HydrophobicContact CB-CD1 4.39Å; K315-F397 HydrophobicContact CB-CE1 4.49Å; K315-F397 HydrophobicContact CG-CD1 4.09Å; P316-F397 VanDerWaalsContact CD-CG 3.48Å; P316-F397 HydrophobicContact CG-CB 4.25Å; P316-F397 HydrophobicContact CG-CD1 4.47Å; P316-F397 HydrophobicContact CG-CD2 3.72Å; P316-F397 HydrophobicContact CG-CE2 4.16Å; P316-F397 HydrophobicContact CG-CG 3.88Å; I345-F397 HydrophobicContact CD1-CD2 4.19Å; I345-F397 HydrophobicContact CD1-CE2 3.58Å; I345-F397 HydrophobicContact CD1-CZ 4.47Å; I345-F397 HydrophobicContact CG1-CD2 4.45Å; I345-F397 HydrophobicContact CG1-CE2 3.95Å; I345-F397 HydrophobicContact CG2-CD2 4.25Å; F397-I400 HydrophobicContact CB-CD1 4.27Å; F397-I400 HydrophobicContact CB-CG1 4.17Å
398G91.3Very high92.8Very high31 Ų3147.7 Ų47.732%0.3225%0.247SC..EExtended strand (participates in β ladder)trans64.8-146.1-172.200000112.3S394 I400S394-G398 WeakPolarHBondContact CB-O 3.41Å; S394-G398 PolarHBondContact N-O 3.46Å; S394-G398 WeakPolarHBondContact O-CA 3.01Å; S394-G398 PolarHBondContact O-N 2.79Å; G398-I400 PolarHBondContact O-N 3.4Å
399R92.6Very high92.6Very high151 Ų15149.6 Ų49.657%0.5726%0.26SS*.EExtended strand (participates in β ladder)trans-78.1110-179.6-174.8175.4-67.3-168.7-8.2111.8Y391 I392Y391-R399 HydrophobicContact CD2-CG 3.62Å; Y391-R399 HydrophobicContact CE2-CG 4.34Å; Y391-R399 HydrophobicContact CG-CG 3.89Å; I392-R399 CarbonylContact O-C 3.54Å; I392-R399 WeakPolarHBondContact O-CA 3.45Å
400I94.1Very high92Very high7 Ų754.5 Ų54.54%0.03628%0.278CS..EExtended strand (participates in β ladder)trans-94.3106174.2-49.6151.8000108P316 L318 L341 Y391 I392 F397 G398P316-I400 HydrophobicContact CB-CD1 4.3Å; P316-I400 HydrophobicContact CG-CD1 3.49Å; P316-I400 VanDerWaalsContact CG-CD1 3.49Å; P316-I400 HydrophobicContact CG-CG1 4.07Å; P316-I400 WeakPolarHBondContact O-CG2 3.46Å; L318-I400 HydrophobicContact CD1-CG2 4.06Å; L318-I400 WeakPolarHBondContact CD1-O 3.27Å; L318-I400 HydrophobicContact CG-CG2 3.87Å; L341-I400 HydrophobicContact CD1-CD1 4.49Å; Y391-I400 CarbonylContact C-O 3.47Å; Y391-I400 WeakPolarHBondContact CA-O 3.42Å; Y391-I400 VanDerWaalsContact CB-O 3.27Å; Y391-I400 WeakPolarHBondContact CB-O 3.44Å; I392-I400 HydrophobicContact CB-CB 4.4Å; I392-I400 HydrophobicContact CB-CD1 4.28Å; I392-I400 HydrophobicContact CG2-CD1 4.35Å; I392-I400 PolarHBondContact N-O 3.39Å; I392-I400 PolarHBondContact O-N 2.89Å; F397-I400 HydrophobicContact CB-CD1 4.27Å; F397-I400 HydrophobicContact CB-CG1 4.17Å; G398-I400 PolarHBondContact O-N 3.4Å
401L93.8Very high90.5Very high95 Ų9556.6 Ų56.650%0.49729%0.293SS..EExtended strand (participates in β ladder)trans-86.1142.7-179.3-176.564.4000111.7
402C92.3Very high88.3Confident6 Ų664 Ų644%0.04133%0.333CS..BIsolated β-bridgetrans-88.9131.4168.2-174.40000111.2L318 I321 I390 Q404L318-C402 HydrophobicContact CB-CB 3.71Å; L318-C402 HydrophobicContact CD1-CB 4.01Å; I321-C402 VanDerWaalsContact CG2-SG 3.58Å; I390-C402 HydrophobicContact CB-CB 4.34Å; I390-C402 VanDerWaalsContact O-CB 3.28Å; I390-C402 WeakPolarHBondContact O-CB 3.47Å; I390-C402 PolarHBondContact O-N 2.74Å; C402-Q404 PolarHBondContact O-N 2.65Å
403N88.8Confident85.7Confident116 Ų11669 Ų6962%0.6236%0.363SS*.SBendtrans-70.89.2-178.6-65.7-36.7000114.3
404Q91.4Very high82.8Confident21 Ų2173.2 Ų73.210%0.09839%0.386CS..SBendtrans-137.3124.6-179.1-64.1-172.8-6.600110I321 K324 C402I321-Q404 HydrophobicContact CD1-CB 4.34Å; I321-Q404 HydrophobicContact CG1-CB 4.1Å; I321-Q404 HydrophobicContact CG2-CB 4.45Å; K324-Q404 VanDerWaalsContact CE-OE1 3.26Å; C402-Q404 PolarHBondContact O-N 2.65Å
405E93.1Very high80Confident96 Ų9679.9 Ų79.945%0.44942%0.42SS..  trans-78.2144.6174.1-53.8-179.5120.600111.2I321 R387 Y388I321-E405 WeakPolarHBondContact CD1-O 3.44Å; R387-E405 HydrophobicContact CB-CB 4.43Å; R387-E405 WeakPolarHBondContact CD-OE2 3.38Å; R387-E405 IonicContact NE-OE2 3.97Å; R387-E405 IonicContact NH1-OE2 3.28Å; R387-E405 PolarHBondContact NH1-OE2 3Å; Y388-E405 WeakPolarHBondContact O-CA 3.24Å
406F94.5Very high77.3Confident0 Ų083.1 Ų83.10%043%0.432CS..EExtended strand (participates in β ladder)trans-91.5135.4166.9-176.3-94.1000110.5I321 C325 T332 L334 M380 R387 Y388 I390 Y408I321-F406 HydrophobicContact CD1-CB 3.9Å; I321-F406 HydrophobicContact CD1-CD2 4.26Å; C325-F406 VanDerWaalsContact C-CE2 3.47Å; T332-F406 HydrophobicContact CG2-CE2 4.49Å; T332-F406 HydrophobicContact CG2-CZ 4.35Å; L334-F406 HydrophobicContact CD1-CD2 3.72Å; L334-F406 HydrophobicContact CD1-CE2 3.89Å; L334-F406 HydrophobicContact CD2-CD2 4.22Å; M380-F406 HydrophobicContact CE-CB 3.96Å; M380-F406 HydrophobicContact CE-CD1 3.5Å; M380-F406 HydrophobicContact CE-CD2 4.1Å; M380-F406 HydrophobicContact CE-CE1 3.89Å; M380-F406 HydrophobicContact CE-CE2 4.44Å; M380-F406 HydrophobicContact CE-CG 3.6Å; M380-F406 HydrophobicContact CE-CZ 4.32Å; M380-F406 HydrophobicContact CG-CE1 4.45Å; M380-F406 HydrophobicContact CG-CE2 4.44Å; M380-F406 HydrophobicContact CG-CZ 4.18Å; R387-F406 WeakPolarHBondContact CA-O 3.48Å; Y388-F406 PolarHBondContact N-O 2.95Å; Y388-F406 PolarHBondContact O-N 3.01Å; I390-F406 HydrophobicContact CD1-CB 3.82Å; F406-Y408 AromaticContact CD1-CD2 3.77Å; F406-Y408 HydrophobicContact CD1-CD2 3.77Å; F406-Y408 HydrophobicContact CD1-CE1 4.47Å; F406-Y408 AromaticContact CD1-CE2 3.7Å; F406-Y408 HydrophobicContact CD1-CE2 3.7Å; F406-Y408 HydrophobicContact CD1-CG 4.23Å; F406-Y408 AromaticContact CE1-CD1 3.91Å; F406-Y408 HydrophobicContact CE1-CD1 3.91Å; F406-Y408 AromaticContact CE1-CD2 3.98Å; F406-Y408 HydrophobicContact CE1-CD2 3.98Å; F406-Y408 AromaticContact CE1-CE1 3.85Å; F406-Y408 HydrophobicContact CE1-CE1 3.85Å; F406-Y408 AromaticContact CE1-CE2 3.92Å; F406-Y408 HydrophobicContact CE1-CE2 3.92Å; F406-Y408 HydrophobicContact CE1-CG 4Å; F406-Y408 AromaticContact CE1-CZ 3.87Å
407T94.5Very high74.7Confident43 Ų4386.4 Ų86.426%0.26445%0.447SS..EExtended strand (participates in β ladder)trans-102.8114.3177.7-54.90000111.6K324 C325 G326 G386 R387 L409K324-T407 PolarHBondContact O-N 2.88Å; K324-T407 VanDerWaalsContact O-N 3.08Å; C325-T407 WeakPolarHBondContact CA-O 3.47Å; C325-T407 WeakPolarHBondContact CB-O 3.36Å; G326-T407 PolarHBondContact N-O 2.95Å; G326-T407 VanDerWaalsContact N-O 3.11Å; G386-T407 CarbonylContact O-C 3.56Å; G386-T407 WeakPolarHBondContact O-CA 3.4Å; R387-T407 HydrophobicContact CG-CG2 4.41Å; T407-L409 HydrophobicContact CG2-CD2 4.08Å
408Y93.9Very high71.9Confident4 Ų488.3 Ų88.32%0.01647%0.466CS..EExtended strand (participates in β ladder)trans-78.4121.8165.6-73.8-86.5000110G326 P327 V353 M380 P381 L383 P385 G386 Y388 F406G326-Y408 CarbonylContact O-C 3.49Å; G326-Y408 WeakPolarHBondContact O-CA 3.29Å; P327-Y408 WeakPolarHBondContact O-CD1 3.28Å; V353-Y408 HydrophobicContact CG1-CE2 3.94Å; M380-Y408 HydrophobicContact CB-CE1 4.47Å; M380-Y408 HydrophobicContact CE-CE2 4.25Å; P381-Y408 WeakPolarHBondContact CD-OH 3.48Å; P381-Y408 VanDerWaalsContact O-CE1 3.25Å; P381-Y408 WeakPolarHBondContact O-CE1 3.38Å; P381-Y408 PolarHBondContact O-OH 3.48Å; L383-Y408 HydrophobicContact CB-CD1 4.28Å; L383-Y408 HydrophobicContact CB-CD2 3.99Å; L383-Y408 HydrophobicContact CB-CE1 4.02Å; L383-Y408 HydrophobicContact CB-CE2 3.72Å; L383-Y408 HydrophobicContact CB-CG 4.24Å; L383-Y408 HydrophobicContact CD1-CD2 4.42Å; L383-Y408 HydrophobicContact CD1-CE2 3.57Å; L383-Y408 HydrophobicContact CG-CE2 4.28Å; P385-Y408 CarbonylContact C-O 3.6Å; P385-Y408 WeakPolarHBondContact CA-O 3.44Å; G386-Y408 PolarHBondContact N-O 3.46Å; G386-Y408 PolarHBondContact O-N 3.35Å; Y388-Y408 AromaticContact CD2-CD2 3.49Å; Y388-Y408 HydrophobicContact CD2-CD2 3.49Å; Y388-Y408 VanDerWaalsContact CD2-CD2 3.49Å; Y388-Y408 AromaticContact CD2-CE2 3.99Å; Y388-Y408 HydrophobicContact CD2-CE2 3.99Å; Y388-Y408 AromaticContact CE2-CD2 3.82Å; Y388-Y408 HydrophobicContact CE2-CD2 3.82Å; Y388-Y408 HydrophobicContact CE2-CE2 4.45Å; Y388-Y408 HydrophobicContact CG-CD2 4.2Å; Y388-Y408 HydrophobicContact CG-CE2 4.25Å; F406-Y408 AromaticContact CD1-CD2 3.77Å; F406-Y408 HydrophobicContact CD1-CD2 3.77Å; F406-Y408 HydrophobicContact CD1-CE1 4.47Å; F406-Y408 AromaticContact CD1-CE2 3.7Å; F406-Y408 HydrophobicContact CD1-CE2 3.7Å; F406-Y408 HydrophobicContact CD1-CG 4.23Å; F406-Y408 AromaticContact CE1-CD1 3.91Å; F406-Y408 HydrophobicContact CE1-CD1 3.91Å; F406-Y408 AromaticContact CE1-CD2 3.98Å; F406-Y408 HydrophobicContact CE1-CD2 3.98Å; F406-Y408 AromaticContact CE1-CE1 3.85Å; F406-Y408 HydrophobicContact CE1-CE1 3.85Å; F406-Y408 AromaticContact CE1-CE2 3.92Å; F406-Y408 HydrophobicContact CE1-CE2 3.92Å; F406-Y408 HydrophobicContact CE1-CG 4Å; F406-Y408 AromaticContact CE1-CZ 3.87Å
409L88.8Confident68.9Low89 Ų8993.1 Ų93.147%0.46649%0.492SS..EExtended strand (participates in β ladder)trans-90.4150.6176.3-57.7176.2000110.1C325 G326 S328 T407 S411C325-L409 HydrophobicContact CB-CD1 4.35Å; C325-L409 HydrophobicContact CB-CG 4.34Å; G326-L409 PolarHBondContact O-N 3.33Å; S328-L409 WeakPolarHBondContact CB-O 3.48Å; S328-L409 PolarHBondContact N-O 2.81Å; S328-L409 PolarHBondContact OG-O 2.98Å; T407-L409 HydrophobicContact CG2-CD2 4.08Å; L409-S411 PolarHBondContact O-N 3.36Å
410H82.4Confident66.3Low148 Ų14891.9 Ų91.969%0.68550%0.501SS*.PPolyproline II helixtrans-55.4123.3169.6-96.883.8000110.3P385 D412P385-H410 WeakPolarHBondContact CB-ND1 3.27Å; P385-H410 HydrophobicContact CG-CB 4.37Å; P385-H410 WeakPolarHBondContact CG-ND1 3.47Å; H410-D412 PolarHBondContact O-N 2.9Å
411S64.3Low63.3Low46 Ų46102.3 Ų102.332%0.32254%0.54SS..  trans-76.4102.9168.955.70000109.7S328 L409 V413S328-S411 WeakPolarHBondContact OG-CB 3.46Å; S328-S411 PolarHBondContact OG-N 2.82Å; S328-S411 PolarHBondContact OG-OG 3.15Å; L409-S411 PolarHBondContact O-N 3.36Å; S411-V413 PolarHBondContact O-N 3.04Å
412D48.2Very low60.6Low165 Ų165105 Ų10588%0.88256%0.555SS**  trans-67.269.3175.8-74.5-28.4000112H410H410-D412 PolarHBondContact O-N 2.9Å
413V42.7Very low57.8Low106 Ų106112.9 Ų112.964%0.64260%0.596SS**  trans-119116.2-179.6-175.30000108.5S411S411-V413 PolarHBondContact O-N 3.04Å
414N32.7Very low55.1Low152 Ų152112 Ų11281%0.81361%0.605SS**SBendtrans81.175.5-177.9-50.4-49.3000117.2
415L35.2Very low52.5Low148 Ų148117.4 Ų117.478%0.77564%0.639SS**  trans-149.244.1143.9-118.7159.6000113.9Q417L415-Q417 HydrophobicContact CD2-CB 4.25Å; L415-Q417 HydrophobicContact CD2-CG 4.47Å; L415-Q417 PolarHBondContact O-N 3.36Å
416I30.8Very low49.7Very low179 Ų179117.2 Ų117.292%0.91865%0.648SS**  trans-77.770.1161.8-50.8-179.7000108.7
417Q32.8Very low46.8Very low165 Ų165121 Ų12177%0.77168%0.675SS**  trans-102.1119.3158.3-76-172.4-21.500108.1L415L415-Q417 HydrophobicContact CD2-CB 4.25Å; L415-Q417 HydrophobicContact CD2-CG 4.47Å; L415-Q417 PolarHBondContact O-N 3.36Å
418S31Very low44.1Very low87 Ų87124.3 Ų124.361%0.60869%0.688SS**  trans-60.3143.7178.752.20000111.3T420S418-T420 VanDerWaalsContact C-N 3.28Å; S418-T420 PolarHBondContact O-N 3.06Å
419P29.3Very low41.4Very low132 Ų132128.4 Ų128.486%0.85771%0.711SS**  trans-72.778.5-177.930.5-36.3000112R421P419-R421 PolarHBondContact O-N 3.48Å; P419-R421 VanDerWaalsContact O-N 3.15Å
420T37.1Very low38.9Very low124 Ų124131.8 Ų131.876%0.76172%0.724SS**  trans-68.9105.216742.40000109.2S418 N422S418-T420 VanDerWaalsContact C-N 3.28Å; S418-T420 PolarHBondContact O-N 3.06Å; T420-N422 PolarHBondContact O-N 3.06Å
421R31.1Very low36.7Very low227 Ų227129.4 Ų129.486%0.85772%0.722SS**  trans-51.8133.9170.1-60.2170.7176.7133.9-2.7110.6P419P419-R421 PolarHBondContact O-N 3.48Å; P419-R421 VanDerWaalsContact O-N 3.15Å
422N37.3Very low35.5Very low150 Ų150134.3 Ų134.380%0.80275%0.75SS**  trans175.497.1141.8-83.3-18000104.9T420T420-N422 PolarHBondContact O-N 3.06Å
423L35Very low34.7Very low172 Ų172133.9 Ų133.990%0.90175%0.748SS**  51.3115.388.4-73.3171.1000112.4
424A31.5Very low34.4Very low98 Ų98138.9 Ų138.981%0.8176%0.761SS**  trans-90166-16900000113.6
425V36.1Very low34.3Very low134 Ų134138.5 Ų138.581%0.81276%0.757SS**  trans-170.3154.6131.6139.90000108.5
426S34.8Very low34.4Very low93 Ų93138.8 Ų138.865%0.6576%0.758SS**  trans2.4128.2172.357.30000119.7
427S32.5Very low34.2Very low80 Ų80137.6 Ų137.656%0.55975%0.753SS**  72.5161.885.3-113.20000115.1E717S427-E717 WeakPolarHBondContact CB-OE1 3.36Å; S427-E717 PolarHBondContact OG-OE1 2.69Å
428M37.9Very low34.5Very low111 Ų111137 Ų13755%0.54775%0.754SS.*  trans105.977.6-178.9-47.6-34.3-6900118E717M428-E717 WeakPolarHBondContact CA-OE2 3.39Å; M428-E717 HydrophobicContact CE-CB 4.37Å; M428-E717 HydrophobicContact CE-CG 3.79Å; M428-E717 VanDerWaalsContact N-CD 3.33Å; M428-E717 PolarHBondContact N-OE1 2.71Å; M428-E717 PolarHBondContact N-OE2 2.84Å; M428-E717 VanDerWaalsContact SD-CD 3.56Å; M428-E717 HydrophobicContact SD-CG 3.73Å
429N37.9Very low34.6Very low91 Ų91139.1 Ų139.149%0.48776%0.763SS.*  trans38.7130.6143.7-100.4-41.4000125.5E717N429-E717 WeakPolarHBondContact CA-OE2 3.13Å; N429-E717 VanDerWaalsContact CB-OE2 3.23Å; N429-E717 WeakPolarHBondContact CB-OE2 3.21Å; N429-E717 PolarHBondContact N-OE2 3.34Å; N429-E717 WeakPolarHBondContact ND2-CB 3.48Å; N429-E717 PolarHBondContact ND2-OE2 3.49Å
430E35.9Very low34.9Very low159 Ų159137.4 Ų137.474%0.74375%0.752SS**  trans45.5157140.1-81.2-117.792.800124.3
431P37.6Very low34.7Very low99 Ų99140.3 Ų140.364%0.64375%0.754SS**  trans-113.2162.7-155.941.7-34.5000116.4
432T37.6Very low34.7Very low149 Ų149134.5 Ų134.591%0.91474%0.744SS**  trans-140.9140.1150.739.20000112.8
433N32.3Very low34.5Very low156 Ų156134.3 Ų134.383%0.83474%0.743SS**  trans-74.9143173.6-82.1-69.1000112.2
434K37Very low34.7Very low211 Ų211133 Ų13392%0.91774%0.742SS**  trans-159.7133139.7-106.9143.8-168171.60113.5
435I30.4Very low34.6Very low143 Ų143133.4 Ų133.473%0.73374%0.74SS**  trans-84.8147.8177.1-63.2157.1000109.4
436I35.7Very low34.6Very low154 Ų154133 Ų13379%0.7974%0.737SS**  trans-159.6130.8140.1-97.7142.7000109I438I436-I438 HydrophobicContact CG2-CG1 4.25Å
437N28.3Very low34.8Very low154 Ų154137.7 Ų137.782%0.82475%0.749SS**  trans-99.4131.9174.4-79.5-33.6000110.2
438I37.9Very low34.9Very low152 Ų152142.2 Ų142.278%0.77976%0.761SS**  trans-138.5118.8158.9-52.8-179.4000110.2I436I436-I438 HydrophobicContact CG2-CG1 4.25Å
439T34.1Very low34.9Very low132 Ų132142.8 Ų142.881%0.8177%0.771SS**  trans-128.9150.9157.454.40000105.8
440P35.4Very low34.7Very low96 Ų96145.6 Ų145.662%0.62379%0.786SS**  -162.7-18083.742.7-22.1000118
441K32.8Very low34.3Very low186 Ų186143.5 Ų143.581%0.80979%0.789SS**  trans69.8151.2142-82.9163-173.6178.50119.9
442T31.9Very low34.2Very low105 Ų105144.3 Ų144.364%0.64480%0.797SS**  cis-170168.1-20.915.90000110.7
443N32.6Very low33.8Very low146 Ų146143.4 Ų143.478%0.78179%0.791SS**  trans76.3159.4165.8-43.9-38.5000115.3
444T37.6Very low34Very low143 Ų143141.6 Ų141.688%0.87779%0.785SS**  cis-125.9-172.75.243.60000112.5
445S29.5Very low33.5Very low108 Ų108140 Ų14076%0.75578%0.779SS**  trans-142.8174.8-171.354.40000113.4
446V37.2Very low33.7Very low124 Ų124140.5 Ų140.575%0.75278%0.783SS**  trans86.2122.2168.1-168.40000116.9
447E38.9Very low33.7Very low193 Ų193144.4 Ų144.490%0.90279%0.787SS**  trans-165.6162.1130-87-101.1123.100107
448E35.4Very low34.1Very low174 Ų174146.4 Ų146.481%0.81379%0.794SS**  trans-123.1-171.6-163.1-60.7-170.8123.900114.7
449T36.8Very low34Very low123 Ų123142.6 Ų142.676%0.75579%0.793SS**  trans72.4100.5161.246.80000121.1
450D33.2Very low34.2Very low150 Ų150141.8 Ų141.880%0.80279%0.792SS**  54.7128.4123.3-69-20.1000124.4
451S29.2Very low34.5Very low116 Ų116144.2 Ų144.281%0.81180%0.795SS**  trans71.286.3140.670.80000120
452S33.9Very low34.7Very low116 Ų116145.9 Ų145.981%0.81180%0.797SS**  trans-156.9150.6134.951.10000112.1
453V30.7Very low34.9Very low130 Ų130145.8 Ų145.879%0.78880%0.8SS**  trans-98117.4-177.7175.60000110.1F455V453-F455 HydrophobicContact CG1-CD2 4.37Å
454V35Very low35.2Very low117 Ų117146.6 Ų146.671%0.70980%0.804SS**  trans-135112.8165.7-175.80000110
455F28Very low35.1Very low178 Ų178147.3 Ų147.378%0.78180%0.802SS**  trans-74.2132.9169-91-97.9000110.5V453V453-F455 HydrophobicContact CG1-CD2 4.37Å
456N34.1Very low35.7Very low153 Ų153148.1 Ų148.182%0.81880%0.802SS**  trans-130.1112.2160.8-86.3-54.9000110
457R35.8Very low35.8Very low236 Ų236150 Ų15089%0.89181%0.807SS**  trans-96.9135.9169.7-80.9-176.3171.1-173.3-1.8109.6
458M37.5Very low36Very low196 Ų196145 Ų14597%0.96679%0.79SS**  trans-127.3139.4156.2-75.8175.258.500108.5
459G34.8Very low36.1Very low73 Ų73143.5 Ų143.575%0.75379%0.787SS**  trans-166.3137.3-177.100000113.2
460S38Very low36.3Very low114 Ų114147.6 Ų147.680%0.79779%0.789SS**  trans173.8141.2179.2-90.50000107.6
461Q41.8Very low36.6Very low147 Ų147151.2 Ų151.269%0.68779%0.791SS**  cis-135.6-179.9-20.3-50.6-169.83.600106.4
462R38Very low37Very low222 Ų222151.6 Ų151.684%0.83879%0.794SS**  cis-154.7173.26.4-152.2167-172.3158.82.4108.8
463S35.5Very low37.3Very low102 Ų102149.5 Ų149.571%0.71379%0.79SS**  trans-138.3152.7166.953.30000111.1
464N38.7Very low37.6Very low163 Ų163153.9 Ų153.987%0.87279%0.793SS**  trans-76.7136.3175.4-75.6-32.9000110.5V466N464-V466 PolarHBondContact O-N 3.14Å
465L35.3Very low37.7Very low159 Ų159157.8 Ų157.883%0.83280%0.795SS**  trans-76.2108.4-173.6-78160.4000111.9
466V41.7Very low38.3Very low125 Ų125158 Ų15876%0.75880%0.798SS**  trans-94.2103.2159.2-174.70000108N464 V468N464-V466 PolarHBondContact O-N 3.14Å; V466-V468 HydrophobicContact CG1-CG2 3.81Å; V466-V468 PolarHBondContact O-N 2.91Å; V466-V468 VanDerWaalsContact O-N 3.07Å
467L39.2Very low38.5Very low162 Ų162161 Ų16185%0.84880%0.798SS**  trans-7790.8175.5-74.1172.1000110.2
468V43.3Very low38.6Very low89 Ų89155.6 Ų155.654%0.53980%0.796SS.*  trans-91.2105.4169.1-168.90000108.7V466 R470V466-V468 HydrophobicContact CG1-CG2 3.81Å; V466-V468 PolarHBondContact O-N 2.91Å; V466-V468 VanDerWaalsContact O-N 3.07Å; V468-R470 HydrophobicContact CG1-CG 4.06Å
469D37.8Very low38.4Very low143 Ų143156.9 Ų156.977%0.76579%0.791SS**  trans-68.8132.3173.4-168.24.2000110.7
470R40.2Very low38.4Very low208 Ų208158.9 Ų158.979%0.78579%0.79SS**  trans-146.966.3-174.4-73.9-170.9171.3167.7-2112V468V468-R470 HydrophobicContact CG1-CG 4.06Å
471R39.3Very low38.3Very low226 Ų226161.7 Ų161.785%0.85379%0.791SS**  trans-116.1104.9158.8-61.1-179.7177.9-158.4-1.7106.6
472S37.9Very low38.1Very low125 Ų125159.1 Ų159.187%0.87480%0.795SS**  52.5111.450.9-162.10000111.6
473G40.5Very low38Very low71 Ų71157.5 Ų157.573%0.73280%0.802SS**  cis164.3-176.2-1.900000110.2
474R37.8Very low38Very low223 Ų223156.4 Ų156.484%0.84281%0.806SS**  trans143.7121.3149.7-175.2178.7-152.2-175.17.2115.2
475R36.2Very low37.7Very low199 Ų199160.4 Ų160.475%0.75181%0.809SS**  trans65151.8175.1-68.8176.2176.1176.8-2.2114.5
476E40.7Very low37.7Very low183 Ų183158.6 Ų158.686%0.85581%0.809SS**  cis-105.5152.52.8-60.6171.8141.200110
477R39.4Very low37.2Very low214 Ų214160 Ų16081%0.80881%0.813SS**  cis64.178.143.9-80.2-160.4175.8-162.7-1115.5
478S36.2Very low37Very low123 Ų123157.3 Ų157.386%0.8681%0.808SS**  -178.7158.5104.550.80000115.2
479R34.5Very low36.6Very low223 Ų223160.5 Ų160.584%0.84282%0.821SS**  trans83.7100.7164.4-151.3168.8-161.2139.96.6120.1
480P34.3Very low36.2Very low115 Ų115158.4 Ų158.475%0.74782%0.818SS**  trans-105.3149.9162.438.2-29.4000112.9
481E36.6Very low35.8Very low174 Ų174154 Ų15481%0.81382%0.818SS**  trans177.8141.6161.5-104.7155.5-169.600107.2
482A37.1Very low35.6Very low92 Ų92148.4 Ų148.476%0.7681%0.814SS**  cis-151.4156.2-22.400000108.8
483L36.2Very low35.5Very low189 Ų189149.3 Ų149.399%0.9981%0.807SS**  trans-81126.5171.2-80.7165000110
484G35Very low35.3Very low78 Ų78153.8 Ų153.880%0.80481%0.814SS**  trans-139.8100.8176.400000112
485R33.4Very low35.2Very low248 Ų248147.1 Ų147.194%0.93682%0.815SS**  trans-81.1135.5162.3-76.4176.3165.4179.4-6.5108.7
486S34.7Very low35.2Very low120 Ų120141.4 Ų141.484%0.83982%0.817SS**  trans-163.7142.4154-78.60000109.5
487D31.4Very low35Very low154 Ų154138.8 Ų138.882%0.82482%0.82SS**  trans-86.6-179.3175.6-58.7-81.2000111.6
488S33.5Very low34.9Very low106 Ų106132.8 Ų132.874%0.74181%0.811SS**  trans87.1122.6157.4790000120.6
489L34.8Very low35.2Very low157 Ų157136.1 Ų136.182%0.82281%0.809SS**  60.3105.1127-60.9177.4000121.5
490S29.6Very low35.3Very low99 Ų99134 Ų13469%0.69281%0.811SS**  58.8120.5125.166.50000122.1
491S33.1Very low35.4Very low115 Ų115131.2 Ų131.280%0.80480%0.803SS**  trans64.2119.6134.765.90000121.4
492S33.9Very low35.5Very low109 Ų109129.6 Ų129.676%0.76281%0.805SS**  -145.9155.7124.956.70000108
493I35.8Very low35.6Very low143 Ų143132.3 Ų132.373%0.73381%0.805SS**  -160.6137.484-94164.1000110.4
494L37.9Very low35.6Very low165 Ų165129 Ų12986%0.86479%0.789SS**  trans17.4141.4159-65.979.9000120.9
495G35.1Very low35.8Very low84 Ų84132.6 Ų132.687%0.86679%0.785SS**  cis143.8134.3-7.700000115
496G36.3Very low35.9Very low78 Ų78126.6 Ų126.680%0.80477%0.771SS**  trans131.3110156.900000120.3
497S37Very low36Very low129 Ų129129.9 Ų129.990%0.90277%0.77SS**  trans50.2148.5144.8-93.20000123.6
498S36.9Very low36.2Very low88 Ų88128.2 Ų128.262%0.61577%0.765SS**  cis-164.8151.4-10.795.50000112.6
499K42.3Very low36.3Very low192 Ų192129.6 Ų129.684%0.83576%0.764SS**  trans61.8161.5160.1-66.2176.6177.4179.20117.9
500M37.2Very low36.4Very low180 Ų180127.5 Ų127.589%0.88776%0.758SS**  cis177.3145-29.1175.4173.4-82.200107.7
501G36.4Very low36.4Very low56 Ų56129.9 Ų129.958%0.57776%0.763SS**  cis163.2146.1-11.500000112.9
502T38.3Very low36.5Very low139 Ų139134.2 Ų134.285%0.85377%0.768SS**  trans67.3170.8175.666.40000116
503I38.8Very low36.4Very low149 Ų149136.9 Ų136.976%0.76477%0.768SS**  cis-123.4-139.914.5-59.7170.6000111.4
504N36.4Very low36.4Very low119 Ų119136.7 Ų136.764%0.63677%0.768SS**  trans-141-180-154-51.3-16000115.4
505H38.9Very low36Very low155 Ų155135.6 Ų135.672%0.71876%0.763SS**  trans80.6148.7152.4-62-50.1000119.7
506D36.3Very low35.9Very low122 Ų122142 Ų14265%0.65276%0.761SS**  cis-172.1151.7-33.2-127.9-54.5000110.2
507K36.7Very low35.5Very low189 Ų189143.5 Ų143.582%0.82276%0.755SS**  trans60.8166.8163.4-70.6177.5-176.2179.40118.9
508V35.8Very low35.3Very low119 Ų119147.4 Ų147.472%0.72176%0.756SS**  cis-164.7168.5-46.7113.50000109.2
509D35.5Very low35Very low134 Ų134149.5 Ų149.572%0.71776%0.76SS**  trans85.8128.5158.9-83.3-28.9000125.3
510T35.3Very low34.7Very low114 Ų114145.5 Ų145.570%0.69975%0.752SS**  trans72.3108.3141.756.50000124.5
511N30.9Very low34.5Very low149 Ų149144.3 Ų144.380%0.79774%0.744SS**  30.4118.7120.7-58.5-10.2000121
512K34.4Very low34.4Very low206 Ų206148.2 Ų148.290%0.89675%0.75SS**  -168.8159.3115.4-110.3171.1-177179.10114.9
513H32Very low34.1Very low165 Ų165148.5 Ų148.576%0.76475%0.746SS**  trans-58.6153.9165.9-53.9-75.7000112
514D35Very low33.9Very low139 Ų139146.7 Ų146.774%0.74374%0.742SS**  -174.5131.793.7-103.1-47.9000116.3
515N31.1Very low34.1Very low141 Ų141147.1 Ų147.175%0.75475%0.751SS**  trans21.2140136.8-73.7-65.5000124.7
516R31.3Very low33.7Very low220 Ų220144.7 Ų144.783%0.8375%0.752SS**  89.698.7129.7-173.4176.6-96.1176-7.8121.9
517T28.7Very low33.7Very low109 Ų109148.3 Ų148.367%0.66976%0.762SS**  53.4114.2119.5-44.50000122.8N519T517-N519 HydrophobicContact CG2-CB 4.45Å
518F33.2Very low33.5Very low211 Ų211147.7 Ų147.793%0.92576%0.762SS**  trans-150.8124.4134.9-73.2-80.2000106.5
519N30.4Very low33.5Very low132 Ų132150.6 Ų150.671%0.70677%0.772SS**  cis98.7152.326.2-160.119.2000113.9T517T517-N519 HydrophobicContact CG2-CB 4.45Å
520T35.1Very low33.2Very low108 Ų108149.7 Ų149.766%0.66378%0.776SS**  trans79.8144.3-176.173.50000116.5
521H34Very low33.3Very low154 Ų154149.5 Ų149.571%0.71378%0.78SS**  cis-166.8150-10.1-111.7-34.4000112.9
522I33.2Very low33.4Very low138 Ų138151.6 Ų151.671%0.70879%0.785SS**  trans70141.7141.8-66.8166.6000116.8
523N33Very low33.1Very low145 Ų145145.5 Ų145.578%0.77578%0.78SS**  cis-146.3168.919.8-145.6-4.9000114.2
524V33.6Very low33.2Very low112 Ų112147.3 Ų147.368%0.67979%0.786SS**  trans-144.9151.8172.3176.20000110
525P41Very low33.2Very low127 Ų127145.9 Ų145.983%0.82578%0.784SS**  trans-121.6128.7157.935.1-22.9000113.6
526S30.1Very low33.1Very low104 Ų104149.1 Ų149.173%0.72779%0.787SS**  trans-105.3160.5177.5-50.70000112.8
527K38.3Very low33.2Very low199 Ų199144.7 Ų144.787%0.86578%0.78SS**  trans-168.2106.8154.1-100.9162.7-174.2-178.50106.3
528E31.7Very low33.2Very low175 Ų175145.8 Ų145.882%0.81878%0.782SS**  51.8106.466.2-65.3-162.1148.200114.7
529L35.5Very low33.5Very low181 Ų181142.7 Ų142.795%0.94878%0.78SS**  -163.2155.9112.2-102165.8000110.5
530S28.6Very low33.7Very low114 Ų114142.3 Ų142.380%0.79778%0.778SS**  trans-144.3132.7-175.6170.60000110.8
531S37.7Very low33.9Very low110 Ų110145.7 Ų145.777%0.76979%0.792SS**  trans-164.6109.8164.858.80000114.3
532Q34.6Very low33.8Very low194 Ų194145.3 Ų145.391%0.90780%0.795SS**  trans35111.3138.8-58.2-172.4-9.200120
533G27.9Very low34Very low77 Ų77144.7 Ų144.779%0.79480%0.797SS**  trans-81.9-165.5167.800000116.6
534K32.7Very low34.1Very low204 Ų204145 Ų14589%0.88780%0.799SS**  trans-163.2139.4162-105.7165.9-177.1175.40109
535P35.4Very low33.9Very low109 Ų109148.1 Ų148.171%0.70880%0.803SS**  trans-89.5163.3169.937-34.5000111.6
536Y29.7Very low33.4Very low209 Ų209148.8 Ų148.882%0.8280%0.8SS**  trans-179.9144.7132.5-101.5-58.6000114.1
537N33.7Very low33.5Very low127 Ų127152 Ų15268%0.67980%0.801SS**  trans62.6109.6150.3-61.5-19.2000121.9
538N28.8Very low33.2Very low132 Ų132151.9 Ų151.971%0.70680%0.797SS**  10.3134.4120.3-50.924.7000118.6
539V38.9Very low33.1Very low146 Ų146152.2 Ų152.289%0.88580%0.798SS**  -132.4138.3127-178.70000107
540D33.8Very low33Very low124 Ų124148.6 Ų148.666%0.66378%0.784SS**  trans-82.6157.8-179.4-45.1-95.7000112.1
541D39.3Very low33Very low179 Ų179150.2 Ų150.296%0.95778%0.784SS**  trans-148.998.3151-107.3-34000108.7
542D33.5Very low33Very low146 Ų146153.9 Ų153.978%0.78179%0.788SS**  trans-102.3122.2-178.4-178.520.5000109.2
543V37Very low33Very low125 Ų125150 Ų15076%0.75877%0.768SS**  trans-163.8148.5165.6125.30000112.9
544N33.6Very low33.1Very low150 Ų150150.9 Ų150.980%0.80276%0.76SS**  trans62.680.9171.5-73.8-2.2000118.5
545K31.2Very low32.9Very low179 Ų179147.2 Ų147.278%0.77875%0.754SS**  trans-66.1168.9137.9-65.4167.3-179.51640110.9
546N29.8Very low32.5Very low140 Ų140148.2 Ų148.275%0.74976%0.758SS**  trans89.2151.6169-47.5-24.3000116.1
547F31.2Very low32.4Very low173 Ų173143.2 Ų143.276%0.75975%0.749SS**  trans71128.5-176.4-53.3-74.3000115.1
548Y32.6Very low32.1Very low195 Ų195145.3 Ų145.377%0.76576%0.755SS**  cis-128.7139.2-4.9-107.8-77.1000112
549E29.3Very low32.1Very low183 Ų183145.6 Ų145.686%0.85576%0.755SS**  trans-84.6129.1164.4-175.6167.8-144.900107.9
550T33Very low31.6Very low105 Ų105142.7 Ų142.764%0.64474%0.742SS**  trans-132.7108-174.6-50.10000111H552T550-H552 PolarHBondContact O-N 2.61Å; T550-H552 VanDerWaalsContact O-N 3.11Å
551D30.1Very low31.4Very low148 Ų148142 Ų14279%0.79174%0.742SS**  trans-64.5106.3178.7-76.4-53.4000112.7K553D551-K553 VanDerWaalsContact C-N 3.27Å; D551-K553 PolarHBondContact O-N 2.71Å
552H37.2Very low30.9Very low186 Ų186143.2 Ų143.286%0.86174%0.735SS**  trans-72.983.2164.5-74.2-62.1000110.6T550T550-H552 PolarHBondContact O-N 2.61Å; T550-H552 VanDerWaalsContact O-N 3.11Å
553K33.7Very low30.8Very low113 Ų113143.4 Ų143.449%0.49173%0.734SS.*  trans-48.1138.1167.6-75.7175.5178.6165.10110.3D551 V555 F692D551-K553 VanDerWaalsContact C-N 3.27Å; D551-K553 PolarHBondContact O-N 2.71Å; K553-V555 PolarHBondContact O-N 2.84Å; K553-V555 VanDerWaalsContact O-N 3.14Å; K553-F692 HydrophobicContact CD-CE2 4.26Å; K553-F692 HydrophobicContact CG-CZ 4.47Å
554P30.4Very low30.5Very low95 Ų95144.7 Ų144.762%0.61774%0.736SS**  trans-64.2117.8178.126.5-33.8000110.2T556 F692P554-T556 PolarHBondContact O-N 2.88Å; P554-F692 HydrophobicContact CG-CE1 4.16Å
555V28.9Very low30.4Very low128 Ų128142.7 Ų142.778%0.77673%0.731SS**  trans-78.7103.7173.7179.60000108.3K553 V557K553-V555 PolarHBondContact O-N 2.84Å; K553-V555 VanDerWaalsContact O-N 3.14Å; V555-V557 HydrophobicContact CG1-CG2 4.06Å; V555-V557 PolarHBondContact O-N 3.03Å
556T26.5Very low30.5Very low129 Ų129139 Ų13979%0.79173%0.727SS**  trans-69.194.1173.7-50.60000110P554 E558P554-T556 PolarHBondContact O-N 2.88Å; T556-E558 PolarHBondContact O-N 2.97Å
557V28.6Very low30.7Very low104 Ų104137.8 Ų137.863%0.6373%0.727SS**  trans-81.8109.5174.1-177.60000109.3V555 I559V555-V557 HydrophobicContact CG1-CG2 4.06Å; V555-V557 PolarHBondContact O-N 3.03Å; V557-I559 HydrophobicContact CG1-CG1 3.99Å; V557-I559 PolarHBondContact O-N 3.19Å
558E26.8Very low30.8Very low171 Ų171135.2 Ų135.280%0.79972%0.721SS**  trans-70.191.4168.4-72-164.3144.500110.5T556 S560T556-E558 PolarHBondContact O-N 2.97Å; E558-S560 PolarHBondContact O-N 2.8Å
559I28.6Very low30.7Very low138 Ų138133.3 Ų133.371%0.70872%0.718SS**  trans-72.782.2172.9-53.3179.7000108.9V557 T561V557-I559 HydrophobicContact CG1-CG1 3.99Å; V557-I559 PolarHBondContact O-N 3.19Å; I559-T561 PolarHBondContact O-N 3.34Å; I559-T561 PolarHBondContact O-OG1 2.62Å; I559-T561 VanDerWaalsContact O-OG1 3.09Å
560S28Very low30.7Very low86 Ų86133.2 Ų133.260%0.60172%0.715SS**  trans-6087168.4-76.70000109.9E558 Y562E558-S560 PolarHBondContact O-N 2.8Å; S560-Y562 VanDerWaalsContact C-N 3.31Å; S560-Y562 WeakPolarHBondContact O-CD2 3.5Å; S560-Y562 PolarHBondContact O-N 3.34Å
561T31.2Very low30.6Very low109 Ų109134.6 Ų134.667%0.66972%0.719SS**  trans-75.982.8-175-56.90000109.6I559 I563I559-T561 PolarHBondContact O-N 3.34Å; I559-T561 PolarHBondContact O-OG1 2.62Å; I559-T561 VanDerWaalsContact O-OG1 3.09Å; T561-I563 VanDerWaalsContact C-N 3.34Å; T561-I563 PolarHBondContact O-N 2.85Å
562Y28.5Very low30.8Very low205 Ų205139.4 Ų139.480%0.80473%0.726SS**  trans-66.493.5170.5-78.5-81.1000109.8S560 L564S560-Y562 VanDerWaalsContact C-N 3.31Å; S560-Y562 WeakPolarHBondContact O-CD2 3.5Å; S560-Y562 PolarHBondContact O-N 3.34Å; Y562-L564 PolarHBondContact O-N 2.67Å
563I31.7Very low30.6Very low150 Ų150136.7 Ų136.777%0.76972%0.722SS**  trans-60.8100168.2-58.7174.6000107.4T561 P565T561-I563 VanDerWaalsContact C-N 3.34Å; T561-I563 PolarHBondContact O-N 2.85Å; I563-P565 WeakPolarHBondContact O-CD 3.28Å
564L30.8Very low30.3Very low152 Ų152134.4 Ų134.480%0.79673%0.73SS**PPolyproline II helixtrans-57.2121.6170.1-77.6169.6000107.9Y562 S566Y562-L564 PolarHBondContact O-N 2.67Å; L564-S566 PolarHBondContact O-N 2.86Å; L564-S566 VanDerWaalsContact O-N 3.15Å
565P30.4Very low30.3Very low108 Ų108135.4 Ų135.470%0.70174%0.74SS**PPolyproline II helixtrans-64.1121.917925.6-32.8000108.9I563I563-P565 WeakPolarHBondContact O-CD 3.28Å
566S32.7Very low30.5Very low100 Ų100138.1 Ų138.170%0.69974%0.744SS**PPolyproline II helixtrans-46.8140.1176.5-50.40000110.6L564 I568L564-S566 PolarHBondContact O-N 2.86Å; L564-S566 VanDerWaalsContact O-N 3.15Å; S566-I568 PolarHBondContact O-N 2.87Å
567P35.3Very low30.6Very low115 Ų115143.5 Ų143.575%0.74775%0.75SS**  trans-54.9111-172.221.3-33.3000110.3H569P567-H569 PolarHBondContact O-N 3.3Å
568I32.4Very low30.7Very low120 Ų120141.7 Ų141.762%0.61575%0.752SS**  trans-6897.6-175-58.9178.2000107.6S566 F570S566-I568 PolarHBondContact O-N 2.87Å; I568-F570 HydrophobicContact CB-CD2 4.25Å; I568-F570 HydrophobicContact CB-CE2 4.02Å; I568-F570 HydrophobicContact CG2-CD2 3.79Å; I568-F570 HydrophobicContact CG2-CE1 4.47Å; I568-F570 HydrophobicContact CG2-CE2 3.63Å; I568-F570 HydrophobicContact CG2-CG 4.29Å; I568-F570 HydrophobicContact CG2-CZ 4Å; I568-F570 WeakPolarHBondContact O-CD2 3.27Å; I568-F570 PolarHBondContact O-N 2.97Å
569H31.6Very low30.9Very low155 Ų155140.9 Ų140.972%0.71875%0.748SS**  trans-6387.1166.3-93.7-76.2000108.5P567 N571P567-H569 PolarHBondContact O-N 3.3Å; H569-N571 VanDerWaalsContact C-N 3.3Å; H569-N571 PolarHBondContact O-N 3.49Å
570F28.3Very low31Very low181 Ų181142.4 Ų142.479%0.79476%0.757SS**  trans-61.595.6168.3-82.9-81.6000108.5I568 R572I568-F570 HydrophobicContact CB-CD2 4.25Å; I568-F570 HydrophobicContact CB-CE2 4.02Å; I568-F570 HydrophobicContact CG2-CD2 3.79Å; I568-F570 HydrophobicContact CG2-CE1 4.47Å; I568-F570 HydrophobicContact CG2-CE2 3.63Å; I568-F570 HydrophobicContact CG2-CG 4.29Å; I568-F570 HydrophobicContact CG2-CZ 4Å; I568-F570 WeakPolarHBondContact O-CD2 3.27Å; I568-F570 PolarHBondContact O-N 2.97Å; F570-R572 PolarHBondContact O-N 2.84Å; F570-R572 VanDerWaalsContact O-N 3.14Å
571N31Very low31.3Very low134 Ų134145.3 Ų145.372%0.71776%0.759SS**  trans-47.3123.3166-80.1-36.9000107.8H569 V573H569-N571 VanDerWaalsContact C-N 3.3Å; H569-N571 PolarHBondContact O-N 3.49Å; N571-V573 WeakPolarHBondContact O-CG2 3.33Å; N571-V573 PolarHBondContact O-N 3.32Å
572R34.4Very low31.5Very low249 Ų249148 Ų14894%0.9477%0.768SS**  trans-72.177.9-179.6-168.9-177.6-164.6161.77.9109F570 G574F570-R572 PolarHBondContact O-N 2.84Å; F570-R572 VanDerWaalsContact O-N 3.14Å; R572-G574 PolarHBondContact O-N 2.82Å
573V32.1Very low31.8Very low128 Ų128146.5 Ų146.578%0.77677%0.768SS**  trans-56.6106.4-178.9-177.70000108.1N571 S575N571-V573 WeakPolarHBondContact O-CG2 3.33Å; N571-V573 PolarHBondContact O-N 3.32Å; V573-S575 PolarHBondContact O-N 3.13Å
574G28.2Very low32Very low65 Ų65147.2 Ų147.267%0.6777%0.773SS**  trans-63.3111.5176.400000108.7R572 Q576R572-G574 PolarHBondContact O-N 2.82Å; G574-Q576 PolarHBondContact O-N 3.03Å
575S30.5Very low32.2Very low116 Ų116150.8 Ų150.881%0.81178%0.776SS**  trans-7082.3179.7-170.70000110.4V573 R577V573-S575 PolarHBondContact O-N 3.13Å; S575-R577 PolarHBondContact O-N 3Å
576Q32.9Very low32.4Very low186 Ų186156.1 Ų156.187%0.86978%0.782SS**  trans-66.7124.4156-71.2-166.73.900107.7G574 G578G574-Q576 PolarHBondContact O-N 3.03Å; Q576-G578 VanDerWaalsContact C-N 3.3Å; Q576-G578 PolarHBondContact O-N 2.75Å
577R29.1Very low32.7Very low242 Ų242158.1 Ų158.191%0.91379%0.785SS**  trans-6788.7168.9-80.7177.8158.8-168.7-5.3109.6S575 E579S575-R577 PolarHBondContact O-N 3Å; R577-E579 PolarHBondContact O-N 3.5Å
578G31Very low32.6Very low65 Ų65159.8 Ų159.867%0.6779%0.788SS**  trans-68.4119.9158.900000109.1Q576 L580Q576-G578 VanDerWaalsContact C-N 3.3Å; Q576-G578 PolarHBondContact O-N 2.75Å; G578-L580 PolarHBondContact O-N 2.74Å
579E30.4Very low32.9Very low155 Ų155161.1 Ų161.172%0.72480%0.796SS**  trans-71.793.4173.1-72.3-164.1164.400110.4R577 K581R577-E579 PolarHBondContact O-N 3.5Å; E579-K581 PolarHBondContact O-N 2.6Å; E579-K581 IonicContact OE2-NZ 2.59Å; E579-K581 PolarHBondContact OE2-NZ 2.9Å
580L30Very low33.1Very low170 Ų170160 Ų16089%0.8980%0.796SS**  trans-71.675164.3-77171.7000110.1G578 L582G578-L580 PolarHBondContact O-N 2.74Å; L580-L582 PolarHBondContact O-N 3.28Å; L580-L582 VanDerWaalsContact O-N 3.1Å
581K34.9Very low33.5Very low147 Ų147155.6 Ų155.664%0.63979%0.787SS**  trans-68.299.7161.4-77.6-167.8172.385.90108.5E579 H583E579-K581 PolarHBondContact O-N 2.6Å; E579-K581 IonicContact OE2-NZ 2.59Å; E579-K581 PolarHBondContact OE2-NZ 2.9Å; K581-H583 PolarHBondContact O-N 2.83Å
582L36.1Very low33.7Very low166 Ų166154.7 Ų154.787%0.86978%0.782SS**  trans-62.8114.7163.6-69.9172.4000108.2L580 D584L580-L582 PolarHBondContact O-N 3.28Å; L580-L582 VanDerWaalsContact O-N 3.1Å; L582-D584 PolarHBondContact O-N 2.78Å
583H33.4Very low33.8Very low173 Ų173152.6 Ų152.680%0.80177%0.774SS**  trans-81.797.7173.8-95.1-59.1000109.7K581 R585K581-H583 PolarHBondContact O-N 2.83Å; H583-R585 PolarHBondContact O-N 2.88Å
584D36.8Very low34.1Very low164 Ų164154.4 Ų154.488%0.87777%0.774SS**  trans-63.9128.6160-107.6-45.2000109.6L582L582-D584 PolarHBondContact O-N 2.78Å
585R34.8Very low34.5Very low227 Ų227160.5 Ų160.586%0.85778%0.784SS**  trans-92118.8176.8-76.2174.5166.6161.8-6.7109.5H583H583-R585 PolarHBondContact O-N 2.88Å
586R34.6Very low34.9Very low221 Ų221160.4 Ų160.483%0.83478%0.781SS**  -163.1138.9129.7-111170.1-97.2-156-7.2114.9
587D38.2Very low35Very low142 Ų142162 Ų16276%0.75978%0.78SS**  trans66113.7148.4-49.9-30.2000121.2
588N34Very low35.3Very low150 Ų150161.1 Ų161.180%0.80278%0.776SS**  trans-66.9150.8169.1-63.7-58.6000111.8
589N38.6Very low35.5Very low148 Ų148164.3 Ų164.379%0.79178%0.783SS**  -167.1141.6108.7-104.9-49.9000116.4
590N35.1Very low35.6Very low132 Ų132162.6 Ų162.671%0.70679%0.785SS**  trans45.288.8151.9-92.1-54000122.7
591S36.6Very low35.8Very low87 Ų87161.7 Ų161.761%0.60879%0.786SS**  74.9153.7101.976.70000123.9
592N36.3Very low35.7Very low116 Ų116164 Ų16462%0.6280%0.796SS**  trans86.993.1158.2-68-61.8000122.2
593R35.4Very low35.3Very low204 Ų204162 Ų16277%0.7779%0.791SS**  105.8145.5108.8-79.8174.5-164.3-150.41.8121.9
594H38.3Very low35.4Very low166 Ų166160 Ų16077%0.76979%0.792SS**  trans76.579.8157-61.5-49.1000121.8
595H37.2Very low35.2Very low193 Ų193155.9 Ų155.989%0.89478%0.775SS**  trans-13.3166.8138.6-87.4-23000122.8
596P40.1Very low35.3Very low115 Ų115152.9 Ų152.975%0.74777%0.771SS**  trans-116.7-175.2-147.344.6-36.2000115.8
597R33.7Very low35.4Very low220 Ų220149 Ų14983%0.8377%0.767SS**  trans-144.3126.6166.3-98.9-177.5175.7174-0.2115.6
598R35.3Very low35.2Very low222 Ų222150.5 Ų150.584%0.83877%0.769SS**  trans55.8123.4137-67.7-179.3174.2-173.5-4.2121.5
599T34.9Very low35.3Very low132 Ų132147.2 Ų147.281%0.8176%0.763SS**  trans-71.8162.8145.355.80000110.4
600P33.5Very low35.2Very low119 Ų119148.7 Ų148.777%0.77376%0.762SS**  -150.416591.940.2-24.1000115.5
601V33.7Very low35.2Very low151 Ų151150.4 Ų150.492%0.91577%0.766SS**  trans-138.5141.1154.2-177.90000108.4
602K33.3Very low35.2Very low196 Ų196154.1 Ų154.185%0.85278%0.778SS**  trans-120.9149.9178.4-169.9-177.2176.9-169.70109.1
603T28.6Very low35.1Very low123 Ų123151.5 Ų151.576%0.75578%0.778SS**  trans-86.1-174.7-179.647.70000112.9
604T35Very low35.2Very low133 Ų133146.6 Ų146.682%0.81678%0.775SS**  trans85.1141.7-174.671.90000115.6
605S32.9Very low35.2Very low77 Ų77141.9 Ų141.954%0.53876%0.761SS.*  cis-171.8158.6-22.852.90000108.6
606E36.1Very low35.2Very low164 Ų164139 Ų13977%0.76675%0.752SS**  trans59.6160.8165.9-70.6109.8-151.600116.8
607D36Very low35.1Very low139 Ų139140.6 Ų140.674%0.74376%0.755SS**  cis-149.2173.1-16.9-130.4-32000113.1
608E34.9Very low35.3Very low174 Ų174135.5 Ų135.581%0.81375%0.748SS**  trans48.3118.1152.7-66.1-143.5120.900124.5
609A36.7Very low35.2Very low80 Ų80133.6 Ų133.666%0.66175%0.748SS**  99135.9120.900000124
610K36.1Very low35.2Very low180 Ų180136.2 Ų136.278%0.78375%0.748SS**  trans75.9114.5156.9-71.2164.2-174.9171.90117.6
611E34.8Very low35.1Very low167 Ų167137.9 Ų137.978%0.7875%0.749SS**  69.7119.985.8-80.1-174.8141.400111.9
612L36.1Very low35Very low165 Ų165138.1 Ų138.186%0.86474%0.744SS**  cis-143.8170.76.2-66.5167.5000109.1
613G34Very low34.8Very low61 Ų61134 Ų13463%0.62974%0.739SS**  cis146.3140.5-9.700000114.2
614S37.1Very low35.3Very low101 Ų101133.4 Ų133.471%0.70674%0.738SS**  trans79155166.9107.90000116.5K195K195-S614 VanDerWaalsContact NZ-CB 3.26Å; K195-S614 PolarHBondContact NZ-OG 2.63Å
615S39.3Very low35.2Very low68 Ų68131.9 Ų131.948%0.47673%0.733SS.*  cis-177.5168.3-0.9-104.90000108.7K195K195-S615 PolarHBondContact NZ-OG 3.04Å
616D38.2Very low35.1Very low132 Ų132133.3 Ų133.371%0.70674%0.743SS**  cis-123-134.5-26.2-77-47.8000104.1
617D37.9Very low35Very low148 Ų148132.4 Ų132.479%0.79175%0.748SS**  cis-151.3-162.4-20.8-15416.7000104.3
618V37.4Very low34.7Very low114 Ų114132.7 Ų132.769%0.69175%0.748SS**  cis-148.2167.3-0.8670000108.3
619Q33.3Very low34.7Very low181 Ų181132.3 Ų132.385%0.84675%0.751SS**  trans-148.1164.4-179.7-59.2176.8-15.600111.3
620K33.9Very low34.5Very low187 Ų187135.3 Ų135.381%0.81376%0.756SS**  trans-165.3150.5135.2-119.8176.9178.8-176.70116.7
621I31.6Very low34.3Very low154 Ų154133.6 Ų133.679%0.7976%0.755SS**  trans-151.3175.3173.7-48.3175.9000106.7
622I31.9Very low34.1Very low157 Ų157133.9 Ų133.981%0.80575%0.754SS**  trans113.1138.9149.9-59.9154.5000118.1
623S29.8Very low34Very low108 Ų108137.6 Ų137.676%0.75576%0.756SS**  trans-102.6-144.5175.1-38.80000110.8
624P38.8Very low33.8Very low111 Ų111141.6 Ų141.672%0.72176%0.763SS**  cis-129.3-165-4037.4-17.9000114
625S31.5Very low33.7Very low101 Ų101145.2 Ų145.271%0.70677%0.769SS**  trans81118.9145.258.80000125.4
626S31.1Very low33.3Very low108 Ų108147 Ų14776%0.75578%0.777SS**  trans58.6133.9134.264.80000125.3
627V34.9Very low33Very low144 Ų144149 Ų14987%0.87378%0.782SS**  175.3163.7122.1151.60000111.3
628I30.5Very low32.7Very low145 Ų145148.9 Ų148.974%0.74478%0.782SS**  trans-105.5154.6-162.8-60.9157.4000113.3
629L34.3Very low32.4Very low167 Ų167149.5 Ų149.587%0.87479%0.786SS**  trans177.5155.1134.5-96.3166.1000114.4
630D31.3Very low32.3Very low143 Ų143146.7 Ų146.777%0.76578%0.781SS**  trans-95.3163-169.5-42.8-102.1000115.9
631D33.8Very low32.1Very low144 Ų144145.1 Ų145.177%0.7778%0.78SS**  -168.5176.6110.3-147.3-17.8000112
632K30.7Very low32.1Very low173 Ų173145.5 Ų145.575%0.75278%0.783SS**  trans-98.7160.7-159.6-55.1145.1-176160.10116.1
633R33.9Very low32Very low242 Ų242144.8 Ų144.891%0.91378%0.781SS**  -175166.1112.4-96.7162.6-160.8-161.64.8114.3
634N29.2Very low32.3Very low145 Ų145149.3 Ų149.378%0.77579%0.787SS**  trans-63.1176.9-169.9-52.33000113.6
635E34.2Very low32.1Very low177 Ų177149.2 Ų149.283%0.82779%0.789SS**  cis-153.9154.346-70.2178.3158.300116.5
636T31.4Very low32.1Very low105 Ų105153.1 Ų153.164%0.64480%0.796SS**  trans3.3128.5159.449.80000121.9
637E32Very low32.3Very low175 Ų175156 Ų15682%0.81880%0.803SS**  81.2144.4104.4-63.7163.7-171.500113.4
638D32Very low32.1Very low146 Ų146158.4 Ų158.478%0.78180%0.801SS**  cis-149.1171.136.5-142-23.5000113.1
639V29.9Very low32.1Very low127 Ų127160.1 Ų160.177%0.7781%0.808SS**  trans-136.8130.6177.5174.60000112.2
640V31.4Very low32Very low122 Ų122160.5 Ų160.574%0.73981%0.806SS**  trans-132.6119.5170.3-176.90000111.8
641L30.2Very low32.2Very low154 Ų154161.1 Ų161.181%0.80681%0.808SS**  trans-120.9131.6162.2-78.2169.9000108.1
642L32.3Very low32.3Very low161 Ų161158.6 Ų158.684%0.84380%0.801SS**  trans-136.7138.6167.9-78.8177.1000111.1
643N30.1Very low32.4Very low143 Ų143157.4 Ų157.477%0.76580%0.798SS**  trans-114174.6178.6-76-65.3000110.1
644K34.4Very low32.5Very low202 Ų202152.9 Ų152.988%0.87879%0.785SS**  trans77151164.6-64.8178.2179-178.10115.5
645S35.8Very low32.8Very low109 Ų109152.9 Ų152.976%0.76279%0.785SS**  cis-154.7167.7-1.628.60000112
646E30.4Very low32.8Very low184 Ų184149.6 Ų149.686%0.8678%0.782SS**  trans-58.3158.9174-53.2157.6115.600113.9
647N35.1Very low33.2Very low168 Ų168149.2 Ų149.290%0.89878%0.781SS**  trans-157.7146.1140.3-130.1-23.4000112.5
648K31.2Very low33.3Very low194 Ų194147.6 Ų147.684%0.84378%0.778SS**  trans-85.9152.7173.8-73.5-176.8173.6-1740111.5
649M31.6Very low33.6Very low181 Ų181151 Ų15189%0.89279%0.786SS**  -155160.4127.3-140.7162.6-170.700112
650E30.9Very low33.7Very low176 Ų176153.5 Ų153.582%0.82279%0.789SS**  trans-93.6-163.8-175.4-62.3164.4103.300112.4
651I36.8Very low34Very low156 Ų156156.5 Ų156.580%0.880%0.795SS**  trans102.6131.2174.2-57.8161.2000113.7
652S35.5Very low34.2Very low91 Ų91156.7 Ų156.764%0.63679%0.792SS**  cis-171.3143.9-29.758.40000110.6
653E31.4Very low34.4Very low147 Ų147156 Ų15669%0.68779%0.789SS**  trans59.4134.2144.1-71.6-162.6125.900124.6
654K37.9Very low34.4Very low148 Ų148154.4 Ų154.464%0.64379%0.789SS**  trans98.7122.9132.6-80.6161.1-173.7151.20123.2
655N35.5Very low34.3Very low145 Ų145149.6 Ų149.678%0.77578%0.78SS**  trans76.5126151.4-51.7-16000117.7
656S33Very low34.1Very low107 Ų107154.5 Ų154.575%0.74879%0.789SS**  cis97.3142.131.6-178.40000113.1
657P40Very low34.4Very low97 Ų97152.8 Ų152.863%0.6379%0.785SS**  cis-135.7-161.6-26.839-19.7000113.7
658D34.6Very low34.2Very low142 Ų142149.9 Ų149.976%0.75978%0.776SS**  trans63115.9154.7-58.5-22000122
659F37.3Very low34.2Very low216 Ų216148.2 Ų148.295%0.94777%0.774SS**  -153.3145.4116.8-107.7-77.7000109.4
660Q32.8Very low34.2Very low180 Ų180144 Ų14484%0.84176%0.762SS**  trans-106.9-172.7173.8-69.7-169.3-49.400110.6
661E37.2Very low34.1Very low185 Ų185143.3 Ų143.386%0.86476%0.759SS**  trans78.4133.2-176.3-56.2176.1171.800113.3
662E35.7Very low33.8Very low158 Ų158145 Ų14574%0.73876%0.761SS**  cis-153167.21.3-135.5-168.6-177.900113.9
663L35.5Very low33.6Very low147 Ų147145.5 Ų145.577%0.7777%0.765SS**  trans58.484.3159.3-59.4178.5000119.4
664S29.9Very low33.6Very low109 Ų109145.4 Ų145.476%0.76277%0.768SS**  trans-68.3136.2148.656.30000112.3
665S31.4Very low33.5Very low101 Ų101146.3 Ų146.371%0.70678%0.779SS**  154.8129125.555.90000113.1
666F33.1Very low33.3Very low213 Ų213145.3 Ų145.393%0.93477%0.774SS**  trans-15288.4149.4-106.7-73.8000107.9
667N35.5Very low33.3Very low147 Ų147147.1 Ų147.179%0.78678%0.775SS**  trans-78.5140.3171.8-75.4-13.7000109.6
668P31.9Very low33Very low108 Ų108148.4 Ų148.470%0.70178%0.782SS**  trans-71156.6149.334.7-33.2000109.4
669I30.1Very low33Very low159 Ų159147.5 Ų147.582%0.81578%0.781SS**  trans155.8142.5150-84.5156.4000112.5
670S32Very low32.8Very low92 Ų92142.4 Ų142.464%0.64377%0.772SS**  trans39.9121.2157.774.70000123.3
671E28.7Very low32.8Very low162 Ų162139.1 Ų139.176%0.75777%0.769SS**  40.6130.8113.2-69.3-171.8124.200124.2
672F29.9Very low32.5Very low191 Ų191135.3 Ų135.384%0.83876%0.763SS**  trans75.9155.7140.7-88.8-75.5000123.2
673S33Very low32.3Very low102 Ų102132.4 Ų132.471%0.71377%0.765SS**  trans79.880.9162.4-60.80000120.5
674I30.5Very low32.2Very low145 Ų145130 Ų13074%0.74476%0.761SS**  14131.7126-51.7170.1000117.4
675N36.7Very low32.2Very low167 Ų167133.2 Ų133.289%0.89376%0.764SS**  trans-140.9153.6144.5-96.9-58.2000110.5
676N30.1Very low32Very low124 Ų124135.1 Ų135.166%0.66377%0.765SS**  trans-102.9178.6-166-74.1-18.2000114.3
677D34.2Very low31.8Very low145 Ų145134.2 Ų134.278%0.77576%0.761SS**  trans71.8127.5159.7-51-46.6000116.3
678T33.3Very low31.6Very low124 Ų124132.8 Ų132.876%0.76176%0.763SS**  -161.6112.155.4-62.60000113.6
679V35.2Very low31.4Very low122 Ų122133.9 Ų133.974%0.73976%0.763SS**  trans70125.2139.3178.70000122.4
680S32.1Very low31.3Very low110 Ų110132.2 Ų132.277%0.76975%0.751SS**  trans68.3138.7154.7-70.90000120
681S33.8Very low31.3Very low110 Ų110137 Ų13777%0.76976%0.763SS**  cis-168154.1-7.2560000108.3
682S30.8Very low31.2Very low106 Ų106134.7 Ų134.774%0.74175%0.751SS**  cis-160.7142.912.448.30000111.6
683A31.4Very low31.1Very low96 Ų96133 Ų13379%0.79375%0.751SS**  trans55.9140.2155.800000119.6
684S33.1Very low30.8Very low98 Ų98133 Ų13369%0.68575%0.75SS**  cis-166.8116.3-13.344.70000106
685E29.2Very low30.6Very low175 Ų175132.2 Ų132.282%0.81876%0.757SS**  71.9136.481.8-74.6-173.7-173.900114.4
686I28.2Very low30.3Very low141 Ų141131.7 Ų131.772%0.72375%0.753SS**  cis-160168.3-16.3-131.8171.1000109.7
687F28.4Very low30.2Very low195 Ų195133.5 Ų133.586%0.85576%0.763SS**  trans-75.9141.1170.7-95.3-106.7000112.2
688S30.8Very low29.8Very low117 Ų117135.8 Ų135.882%0.81876%0.762SS**  trans-132.9142.8163.1-74.60000111.3
689N27.6Very low29.5Very low131 Ų131135.2 Ų135.270%0.70176%0.763SS**  trans-116.1154.5-165.9-113.6-50.5000112.6
690Q29.3Very low29.1Very low124 Ų124134.7 Ų134.758%0.57976%0.76SS**  trans44.9125.5151.8-62.5173.851.500120.3
691Q30.3Very low29Very low191 Ų191137.3 Ų137.389%0.89376%0.763SS**  -158.6167.6106.3-118.9174.4-17.900113.5
692F27.4Very low28.6Very low115 Ų115137.2 Ų137.250%0.50476%0.758SS.*  trans-88150.1-178.4-76.5-130.8000110.6K553 P554K553-F692 HydrophobicContact CD-CE2 4.26Å; K553-F692 HydrophobicContact CG-CZ 4.47Å; P554-F692 HydrophobicContact CG-CE1 4.16Å
693N26.8Very low28.7Very low155 Ų155139.1 Ų139.183%0.82976%0.76SS**  -178.7167.6103.9-97.6-36.5000115.1
694S27.3Very low28.5Very low101 Ų101138.3 Ų138.371%0.70675%0.749SS**  trans-62.8149-179.654.20000115.6
695C25.9Very low28.4Very low130 Ų130140.3 Ų140.388%0.87875%0.752SS**  -156.9160.5109.6-127.50000112.7
696L30.7Very low28.5Very low156 Ų156138.3 Ų138.382%0.81775%0.745SS**  trans-84.6152.8166-67.7160.1000109
697D27.8Very low28.7Very low162 Ų162138.8 Ų138.887%0.86675%0.749SS**  trans-156.3164.2135.4-133-32.2000114.2
698Y25.9Very low28.6Very low192 Ų192132.9 Ų132.975%0.75373%0.732SS**  trans-98138.7-167.9-85.6-109.6000114.7V700Y698-V700 HydrophobicContact CD1-CG2 4.03Å
699S28.4Very low28.6Very low112 Ų112134 Ų13478%0.78373%0.728SS**  trans-160.9120.7140.843.50000107.9
700V25.8Very low28.6Very low112 Ų112134 Ų13468%0.67973%0.733SS**  cis62.872.635.9-163.10000112.6Y698Y698-V700 HydrophobicContact CD1-CG2 4.03Å
701I30.1Very low28.5Very low164 Ų164133 Ų13384%0.84174%0.739SS**  trans-125121.4144.7-63.2-175.5000108.1
702T25.6Very low28.4Very low108 Ų108131.3 Ų131.366%0.66374%0.736SS**  trans-84141.7178.150.50000111.8
703N32.5Very low28.4Very low146 Ų146130.3 Ų130.378%0.78174%0.743SS**  trans-166.9105137.1-88.3-36.5000106.9
704S26.6Very low28.5Very low79 Ų79131.6 Ų131.655%0.55274%0.744SS**  68139.161.791.80000112.8
705N31.6Very low28.7Very low140 Ų140132.4 Ų132.475%0.74974%0.739SS**  trans78.9136.8173.7-56.2-31.3000117.2
706I31Very low29.2Very low133 Ų133130.5 Ų130.568%0.68273%0.725SS**  cis-166.4154-15.4-127.8164.9000109
707L32Very low29.4Very low152 Ų152125.6 Ų125.680%0.79670%0.698SS**  trans37.2152.4156.2-60.1173.3000121.5
708S27.3Very low29.6Very low71 Ų71124.6 Ų124.650%0.49769%0.688SS.*  cis173.7165.4-21.755.20000106.9
709N30.6Very low30.1Very low140 Ų140120.2 Ų120.275%0.74969%0.686SS**  trans74.9133.3168.6-43.6-36.6000114.3
710V28.3Very low30.4Very low131 Ų131122.2 Ų122.279%0.79468%0.683SS**  cis7289.624-165.90000114.2
711S27.4Very low30.8Very low102 Ų102122 Ų12271%0.71368%0.678SS**  174.9133.4124.3-80.80000115.2
712L27.6Very low31Very low156 Ų156120.6 Ų120.682%0.81767%0.672SS**  34.9118.6129.7-65.2164.3000121.7
713S27.6Very low31.5Very low95 Ų95120.7 Ų120.766%0.66467%0.672SS**  48.5109.6129.667.30000122.4
714Q28.3Very low31.6Very low182 Ų182118.8 Ų118.885%0.8567%0.666SS**  81.5144.5114-154176.54.500120.5
715I31.3Very low32Very low118 Ų118122 Ų12261%0.60568%0.676SS**  trans86.2124.7174.8-49.6-172.6000114.8
716P37.3Very low32.2Very low89 Ų89122.1 Ų122.158%0.57868%0.676SS**  trans-110.3173.9-179.442.2-34.6000113.1
717E35.2Very low32.2Very low53 Ų53119.9 Ų119.925%0.24867%0.672CS.*  -170.1164.7129.8-115.5122.2-141.300117.2S427 M428 N429S427-E717 WeakPolarHBondContact CB-OE1 3.36Å; S427-E717 PolarHBondContact OG-OE1 2.69Å; M428-E717 WeakPolarHBondContact CA-OE2 3.39Å; M428-E717 HydrophobicContact CE-CB 4.37Å; M428-E717 HydrophobicContact CE-CG 3.79Å; M428-E717 VanDerWaalsContact N-CD 3.33Å; M428-E717 PolarHBondContact N-OE1 2.71Å; M428-E717 PolarHBondContact N-OE2 2.84Å; M428-E717 VanDerWaalsContact SD-CD 3.56Å; M428-E717 HydrophobicContact SD-CG 3.73Å; N429-E717 WeakPolarHBondContact CA-OE2 3.13Å; N429-E717 VanDerWaalsContact CB-OE2 3.23Å; N429-E717 WeakPolarHBondContact CB-OE2 3.21Å; N429-E717 PolarHBondContact N-OE2 3.34Å; N429-E717 WeakPolarHBondContact ND2-CB 3.48Å; N429-E717 PolarHBondContact ND2-OE2 3.49Å
718E32.3Very low32.2Very low142 Ų142119.2 Ų119.266%0.66467%0.67SS**  trans7.5142.3142.4-71.4-178.2-164.800119.5
719S35.5Very low32.7Very low100 Ų100120.5 Ų120.570%0.69968%0.679SS**  cis-160.8176.24.461.80000107.6
720E34Very low32.8Very low153 Ų153122.5 Ų122.572%0.71568%0.683SS**  cis-173.21766.3-139.6176.9-147.300107
721N34.8Very low33.1Very low109 Ų109125.6 Ų125.658%0.58369%0.689SS**  trans68.3113147.2-64.7-24.3000122.8
722N34Very low33.3Very low134 Ų134124.7 Ų124.772%0.71769%0.688SS**  83.9133.7126.9-61.2-15.2000119.1
723T35.4Very low33.6Very low109 Ų109123.5 Ų123.567%0.66969%0.687SS**  cis-162.1163.92.34.30000114.5
724T35.9Very low33.7Very low107 Ų107125 Ų12566%0.65669%0.688SS**  trans71.2116.914349.20000123.7
725L34.8Very low33.6Very low145 Ų145124 Ų12476%0.75968%0.681SS**  71.2144.4127-54.7173.2000118.8
726L35.5Very low33.5Very low143 Ų143126 Ų12675%0.74969%0.688SS**  cis-153.8166.4-4-112.9163.6000112.1
727S32.1Very low33Very low86 Ų86128.2 Ų128.260%0.60170%0.699SS**  trans-63.7175.9169.261.50000114
728D31.9Very low32.9Very low138 Ų138130.1 Ų130.174%0.73872%0.724SS**  cis-164.7-166.48.3-132.4-30000111.8
729S37.5Very low32.7Very low98 Ų98132 Ų13269%0.68573%0.732SS**  trans81.1128172.164.30000116.4
730H31.9Very low32.6Very low183 Ų183135 Ų13585%0.84774%0.741SS**  63.8132.158.8-65.2-76.6000111.3
731E35.1Very low32.6Very low195 Ų195136.8 Ų136.891%0.91175%0.746SS**  cis-145.5-169.838.8-162.6159.3-146.100112.3
732A30.9Very low32.6Very low84 Ų84139.9 Ų139.969%0.69476%0.763SS**  trans-136.6140.2-175.100000113.7
733T34.4Very low32.6Very low130 Ų130137.8 Ų137.880%0.79876%0.764SS**  trans-164.1123160.29.60000114
734D28.8Very low32.7Very low128 Ų128140.5 Ų140.568%0.68477%0.773SS**  59.8142.5122.1-75.57000127.4
735F27.5Very low32.5Very low159 Ų159143.3 Ų143.370%0.69778%0.779SS**  trans66.4106.8144-72.1-58.5000124.6
736Q28.2Very low32.6Very low160 Ų160144.5 Ų144.575%0.74878%0.778SS**  64.7123.4123.2-81.8173.8-14.100123.7
737V28Very low32.6Very low136 Ų136143.8 Ų143.882%0.82477%0.771SS**  59.9113.4129.8-178.30000119.9
738A31.6Very low32.8Very low93 Ų93147.3 Ų147.377%0.76978%0.775SS**  -159.6148.312800000111.2
739H29.7Very low33Very low181 Ų181147 Ų14784%0.83877%0.773SS**  trans-84.1157.3159.3-82-100.3000109.7
740N33.4Very low33Very low164 Ų164148.5 Ų148.588%0.87777%0.772SS**  -161.1150.1126.7-96.9-18.9000111.2
741K32.9Very low33Very low190 Ų190147.6 Ų147.683%0.82677%0.768SS**  trans-100.7159.8160-67.3178.4176.4179.60107.5
742D36.1Very low33Very low174 Ų174147 Ų14793%0.9377%0.766SS**  trans-164.7167.1131.1-98.1-28.2000110.4
743A33.9Very low33.1Very low91 Ų91150.3 Ų150.375%0.75277%0.771SS**  trans-135.9167.4-171.100000112.2
744I36Very low33.8Very low166 Ų166147.9 Ų147.985%0.85176%0.758SS**  trans-147.3153.7168.5-94.9140.8000109.1
745Q33.4Very low34Very low165 Ų165152.1 Ų152.177%0.77177%0.766SS**  trans-115.7-152.8-167.4-58.5-179.6-38.600113.4
746F34.9Very low34.4Very low170 Ų170152 Ų15275%0.74677%0.767SS**  trans90.7135.2167.2-61.4-84.8000116.9
747E37.3Very low34.8Very low129 Ų129150.6 Ų150.660%0.60377%0.765SS**  cis-166.3149.2-17.9-132.2-170.5154.800110.3
748K36.4Very low35.1Very low159 Ų159148.3 Ų148.369%0.69176%0.755SS**  trans49.4160.3134.7-81.6-177.9-175.6153.40123.5
749L35.2Very low35.3Very low132 Ų132151.2 Ų151.269%0.69176%0.757SS**  cis-161.7166.49.2-118.6166.9000112.2
750I36.4Very low35.5Very low129 Ų129148.5 Ų148.566%0.66275%0.749SS**  trans72.8118.5152.1-72.2158000118.4
751E33.1Very low35.7Very low165 Ų165148.1 Ų148.177%0.77175%0.745SS**  86.2144.168.9-115.3156.7-169.600113.1
752E35.5Very low35.7Very low183 Ų183142.2 Ų142.286%0.85574%0.738SS**  cis-147.5-159.217.8-159.7168.9-16100112.4
753N33.4Very low36.2Very low152 Ų152140.2 Ų140.281%0.81374%0.735SS**  trans-132.2-147.6-159.8-125.1-28.3000112.6
754P47.3Very low36.1Very low80 Ų80141.3 Ų141.352%0.51974%0.737SS.*  -133.4-179.2-67.541.7-26.9000117.1
755Y34.2Very low36.2Very low216 Ų216139.5 Ų139.585%0.84773%0.733SS**  trans66.3160.5154.6-60.5-49.2000120
756Q35.8Very low36.2Very low156 Ų156135.8 Ų135.873%0.72973%0.731SS**  cis-163.8156.417.1-143.5-178.519.500113
757N35.8Very low36.5Very low131 Ų131132.9 Ų132.970%0.70173%0.729SS**  trans58.1161.8151.2-68.7-12.3000122.3
758S34.5Very low36.3Very low88 Ų88135 Ų13562%0.61574%0.737SS**  cis-177.5147.9-30.360.70000111.6
759L35.2Very low36.2Very low154 Ų154134.2 Ų134.281%0.80674%0.735SS**  trans64.5163.7164.4-89.669.1000116.1
760D34.7Very low35.9Very low125 Ų125133.6 Ų133.667%0.66873%0.733SS**  cis-156.2173.22.1-143.9-19.3000113.6
761I38.7Very low35.9Very low156 Ų156136.9 Ų136.980%0.874%0.743SS**  trans68.5148.8154.6-66.1156.2000119.5
762G31.6Very low36Very low66 Ų66136.5 Ų136.568%0.6875%0.745SS**  trans-115.4-124.6-174.100000117.8
763P47.7Very low36.3Very low132 Ų132132.4 Ų132.486%0.85773%0.734SS**  -119.8-167.7-113.641.8-33.5000117
764S31.2Very low36.3Very low114 Ų114131.3 Ų131.380%0.79773%0.733SS**  trans86.2149.9-177-137.90000113.9
765T37.4Very low36Very low127 Ų127131.3 Ų131.378%0.77975%0.748SS**  cis-138174.313.753.30000113
766A34.2Very low36.1Very low88 Ų88129.6 Ų129.673%0.72775%0.747SS**  trans-117.8-170162.200000109.2
767P41.8Very low36.3Very low108 Ų108127.5 Ų127.570%0.70175%0.75SS**  cis-135.8-150.6-7.135.6-11.6000112.9
768K32.9Very low36.3Very low174 Ų174129.8 Ų129.876%0.75776%0.756SS**  trans86152.5167.1-57.3174.5178.6177.70116.5
769Q33.5Very low36.5Very low142 Ų142132.4 Ų132.466%0.66476%0.763SS**  cis-164.8151-12.6-114.3171.7-4100111.3
770N30.1Very low36.6Very low120 Ų120131 Ų13164%0.64276%0.76SS**  trans59.7145.7153.6-51.5-11.9000117.9
771F36.3Very low36.4Very low197 Ų197130.1 Ų130.186%0.86476%0.764SS**  -156.1172.851.9-101.6-89.4000114.4
772L34.1Very low36.2Very low158 Ų158128.3 Ų128.383%0.82777%0.765SS**  trans-109.2-176.4-179.3-105.376.1000110.6
773P43Very low36.2Very low96 Ų96133.5 Ų133.562%0.62378%0.776SS**  cis-143.4-156-33.238.2-16.8000113.9
774T33Very low35.5Very low130 Ų130131.2 Ų131.280%0.79878%0.776SS**  trans81.5139.3147.538.80000122.2
775G40.8Very low35.8Very low79 Ų79132 Ų13281%0.81478%0.777SS**  trans165.4106.3173.600000110.1
776E36.2Very low35.6Very low181 Ų181131.1 Ų131.185%0.84677%0.773SS**  trans-114.8147.4-165-59177.1137.300114.1
777S38.8Very low36.1Very low112 Ų112132.9 Ų132.978%0.78378%0.777SS**  trans174.5112.5146.121.30000107.9
778E36.3Very low35.7Very low178 Ų178137.1 Ų137.183%0.83279%0.785SS**  53.9127.187.1-62.1-151.9133.500113.7
779L38.5Very low36Very low144 Ų144137 Ų13775%0.75479%0.791SS**  -154.1145.951.6-78.1164.8000115.4
780V37.4Very low36Very low124 Ų124138.3 Ų138.375%0.75279%0.794SS**  trans54.9109.1138.2-173.60000121
781S30.4Very low36.2Very low106 Ų106140.5 Ų140.574%0.74180%0.801SS**  trans-51.2158.116246.20000118.9
782S36.2Very low36.2Very low119 Ų119136.8 Ų136.883%0.83280%0.799SS**  trans-157.3157.7138.156.90000112.6
783L30.3Very low36Very low175 Ų175138.6 Ų138.692%0.91680%0.796SS**  trans-89.9145.4-178.6-92.359.1000112
784G33.6Very low35.7Very low83 Ų83144.1 Ų144.186%0.85681%0.81SS**  trans-135.398.3173.400000113.5
785T37Very low35.6Very low131 Ų131148.1 Ų148.180%0.80481%0.811SS**PPolyproline II helixtrans-76.8153.9177.135.90000113.9
786P33.1Very low35.3Very low109 Ų109152.9 Ų152.971%0.70882%0.816SS**PPolyproline II helixtrans-73.4147.9-177.830.7-36.5000113.3K788P786-K788 PolarHBondContact O-N 3Å
787P45.8Very low35.1Very low125 Ų125149 Ų14981%0.81281%0.809SS**PPolyproline II helixtrans-75.8119.5-176.129.7-34.5000112.8
788K32.2Very low35Very low196 Ų196152.5 Ų152.585%0.85281%0.813SS**  trans-97.8104164-73.4179.8179173.10109.9P786P786-K788 PolarHBondContact O-N 3Å
789I40.4Very low34.9Very low173 Ų173148.2 Ų148.289%0.88780%0.803SS**  trans-77.6142.7165.1-62.1179000108.6
790K32.5Very low34.8Very low169 Ų169148.9 Ų148.974%0.73581%0.807SS**  trans-147.8148.1-163.6-144.8-175.9-172.6-178.90110.7
791Q35.3Very low34.7Very low166 Ų166149.1 Ų149.178%0.77680%0.803SS**  trans71.6154.5171.5-58.9171.3-11.400114.2
792S36Very low35.1Very low119 Ų119150 Ų15083%0.83281%0.807SS**  cis-134.8178.519.963.20000115
793Y29.7Very low35Very low195 Ų195150.5 Ų150.577%0.76580%0.8SS**  trans-98.3153-165.9-71-101.3000114.3
794K35.6Very low35.2Very low212 Ų212152.3 Ų152.392%0.92280%0.8SS**  -151.9147.7122.9-124.3171.7-176.9176.90112.8
795R30.5Very low35.3Very low214 Ų214153.4 Ų153.481%0.80879%0.792SS**  trans-99.8161174.2-54.7176.6-173.1159.70.4110.1
796I35.5Very low35.3Very low179 Ų179154.7 Ų154.792%0.91879%0.792SS**  -158156.5125.1-97.9149.5000107.5
797S32.5Very low35.4Very low101 Ų101156 Ų15671%0.70679%0.793SS**  trans-155.6144-16252.90000113.3
798Q36.7Very low34.7Very low185 Ų185155.3 Ų155.386%0.86479%0.792SS**  trans-159.1116.8160.2-95.5157.63000105.7
799S33.6Very low34.9Very low88 Ų88151 Ų15162%0.61579%0.793SS**  65.612572.474.50000112.5
800N36.4Very low34.6Very low158 Ų158152.4 Ų152.485%0.84579%0.793SS**  cis-144.1171.544.1-74.7-64.4000115.4
801L36Very low34.6Very low129 Ų129153.5 Ų153.568%0.67580%0.798SS**  trans-124.7164.4179-116161.9000109.3
802P38.9Very low34.5Very low125 Ų125151.8 Ų151.881%0.81279%0.794SS**  -145.3163.5103.436.6-20.6000115.7
803N34Very low34.4Very low128 Ų128154.9 Ų154.968%0.68480%0.795SS**  trans-96.1165.6-171.4-62.2-60.2000114.7
804K34.7Very low34.5Very low213 Ų213153.4 Ų153.493%0.92680%0.801SS**  trans-144105.8147.1-120.9-176.3-177.6-178.40111.1
805P33.9Very low34.6Very low107 Ų107148.5 Ų148.570%0.69579%0.788SS**  trans-106.3161.9175.638.4-31.4000112.6
806I37.4Very low34.6Very low157 Ų157145.6 Ų145.681%0.80579%0.789SS**  trans-164.8135.5148.3-105.6152.9000110.8
807N36.5Very low34.5Very low136 Ų136145.2 Ų145.273%0.72779%0.788SS**  trans17.1122.1158.5-49-11.4000119.2
808S30.3Very low34.6Very low111 Ų111148.2 Ų148.278%0.77679%0.792SS**  cis86.5108.540.382.80000116.2
809A35.7Very low34.5Very low107 Ų107145.2 Ų145.288%0.88479%0.789SS**  trans-139.4153154.600000108.3
810K35.1Very low34.6Very low201 Ų201147.3 Ų147.387%0.87480%0.798SS**  trans-117144.4-172.8-56170.6-177.9173.80110.4
811F31.9Very low34.5Very low193 Ų193151.5 Ų151.585%0.84680%0.802SS**  trans-150.4146.5131.9-138.2-109.8000113.7
812N34.1Very low34.3Very low130 Ų130156.4 Ų156.470%0.69581%0.812SS**  trans-28.1154.6-169.9-63.6-23.3000122.6
813Q33.1Very low33.9Very low183 Ų183156.4 Ų156.486%0.85581%0.809SS**  trans-63.4152.8161.2-58155.1-48.300111.4
814N33Very low33.7Very low164 Ų164155 Ų15588%0.87781%0.809SS**  trans-146.8165134.6-138.3-19000110.9
815V36.3Very low33.5Very low110 Ų110152.5 Ų152.567%0.66781%0.805SS**  trans-112.2150.6-156.4-160.10000112.8
816N30.5Very low33.4Very low152 Ų152153.2 Ų153.281%0.81381%0.808SS**  trans-7.4120166.4-60-17.8000117.4
817L34.5Very low33Very low171 Ų171153.6 Ų153.690%0.89581%0.811SS**  trans-151.4139.7148.7-101.5139000108.9
818M33.1Very low32.8Very low164 Ų164152.1 Ų152.181%0.80881%0.812SS**  trans-81.3146-179.4-60.2-15579.400111.2T820M818-T820 PolarHBondContact O-N 3.14Å
819P36Very low33Very low123 Ų123155.2 Ų155.280%0.79981%0.814SS**  trans-77.484.8176.131.9-34.4000111R821P819-R821 PolarHBondContact O-N 2.97Å
820T34.7Very low32.8Very low131 Ų131157.9 Ų157.980%0.80481%0.813SS**  trans-63.8114.7168.3-21.20000108.9M818 R822M818-T820 PolarHBondContact O-N 3.14Å; T820-R822 PolarHBondContact O-N 3.44Å
821R34.5Very low32.8Very low247 Ų247152.9 Ų152.993%0.93280%0.802SS**  trans-58.1108.5176.5-76.9-178.3171.7176.4-3.5110.1P819P819-R821 PolarHBondContact O-N 2.97Å
822R32.1Very low32.9Very low232 Ų232152.5 Ų152.588%0.87580%0.8SS**  trans-81.5117161.3-88-169.8170.9-170.8-2.7108.9T820T820-R822 PolarHBondContact O-N 3.44Å
823V29.7Very low32.9Very low125 Ų125153.7 Ų153.776%0.75881%0.806SS**  trans-69.9125.2159.2178.20000107.1L825V823-L825 HydrophobicContact CG1-CD1 4.34Å; V823-L825 HydrophobicContact CG1-CG 4.02Å
824S31.6Very low33Very low97 Ų97152.6 Ų152.668%0.67880%0.801SS**  trans-117.979.4176.3-74.70000109.5T826S824-T826 PolarHBondContact O-N 2.83Å
825L29.1Very low33.2Very low162 Ų162153 Ų15385%0.84880%0.803SS**  trans-73.3109.8164.3-72.1165.1000108.3V823V823-L825 HydrophobicContact CG1-CD1 4.34Å; V823-L825 HydrophobicContact CG1-CG 4.02Å
826T33Very low33.4Very low122 Ų122153.5 Ų153.575%0.74881%0.807SS**  trans-129.473170.753.30000110.1S824 S828S824-T826 PolarHBondContact O-N 2.83Å; T826-S828 PolarHBondContact O-N 2.96Å
827N27.9Very low33.6Very low164 Ų164154.5 Ų154.588%0.87781%0.812SS**  trans-68.6108158.8-122.67.5000107.2
828S33.5Very low33.6Very low105 Ų105150.7 Ų150.773%0.73481%0.805SS**  trans-112.691.8173.558.60000109.6T826 N830T826-S828 PolarHBondContact O-N 2.96Å; S828-N830 PolarHBondContact O-N 3.3Å
829Q33.9Very low33.7Very low177 Ų177149.3 Ų149.383%0.82781%0.806SS**  trans-67.5117.3170.7-66.4168.7-7900109.3
830N31.7Very low33.7Very low162 Ų162150.8 Ų150.887%0.86681%0.807SS**  trans-110.6114.6159.8-99.86.3000107.4S828S828-N830 PolarHBondContact O-N 3.3Å
831P33.6Very low33.7Very low97 Ų97150.4 Ų150.463%0.6381%0.808SS**  trans-94.8159.3176.238-34.5000112
832F34.2Very low33.8Very low185 Ų185144 Ų14481%0.81180%0.797SS**  trans62.2122.5173.1-57.3-76.9000115.3
833N34.3Very low33.9Very low154 Ų154138.3 Ų138.382%0.82479%0.793SS**  cis-135.9166.245.9-84.4-13.9000114.2
834E35.7Very low34.2Very low161 Ų161138.2 Ų138.275%0.75279%0.792SS**  trans-68.6145.9164.4-62.7144.9115.200111.4
835D37Very low34.3Very low173 Ų173142.3 Ų142.393%0.92581%0.805SS**  -150.6148.3122.4-111.3-32.8000108.5
836T39.9Very low34.4Very low120 Ų120140.2 Ų140.274%0.73680%0.804SS**  trans-101.3132.8-164.3-520000111.8
837D35Very low34.4Very low172 Ų172137.7 Ų137.792%0.9280%0.803SS**  trans-161.7145.2136-107.2-25.9000111.1
838A34.3Very low34.8Very low91 Ų91139.5 Ų139.575%0.75281%0.806SS**  trans-125.8129.4-175.900000111.5
839T36.3Very low34.9Very low135 Ų135140.6 Ų140.683%0.82881%0.809SS**  trans-150.6132.4164.738.50000110.5
840D35Very low34.9Very low155 Ų155137 Ų13783%0.82980%0.803SS**  trans-68.3142176.8-64.8-74.2000113.2
841C35.9Very low35.2Very low122 Ų122138.3 Ų138.382%0.82480%0.804SS**  trans-104.249.3174.8-73.20000112.7S843C841-S843 PolarHBondContact O-N 3.43Å
842V35.2Very low35.2Very low113 Ų113140.5 Ų140.569%0.68582%0.816SS**  trans-78.4100.7170179.40000109.3T844V842-T844 HydrophobicContact CG1-CG2 4.27Å; V842-T844 PolarHBondContact O-N 3.01Å
843S35.5Very low35.5Very low113 Ų113139.7 Ų139.779%0.7982%0.817SS**  trans-82.677.3-176.7-66.70000113.1C841C841-S843 PolarHBondContact O-N 3.43Å
844T35.4Very low35.5Very low122 Ų122140.2 Ų140.275%0.74881%0.814SS**  trans-89.998.2169.338.20000111.5V842 S846V842-T844 HydrophobicContact CG1-CG2 4.27Å; V842-T844 PolarHBondContact O-N 3.01Å; T844-S846 PolarHBondContact O-N 2.97Å
845L34Very low35.8Very low183 Ų183143.3 Ų143.396%0.95882%0.82SS**  trans-75.891.9175.2-79.5170.1000111.8
846S30.6Very low35.7Very low118 Ų118141.8 Ų141.883%0.82581%0.812SS**  trans-157.6107.4170.2170.90000112T844T844-S846 PolarHBondContact O-N 2.97Å
847G34.4Very low35.6Very low70 Ų70143.8 Ų143.872%0.72281%0.813SS**  trans136.294161.700000115.8
848E35.8Very low35.8Very low202 Ų202145.7 Ų145.794%0.94481%0.814SS**  trans-119.3125.6147.5-79.1-164.7130.600108.3
849T36Very low35.8Very low128 Ų128148 Ų14879%0.78581%0.813SS**  trans-144.5145.4178.8-27.10000110
850S33.9Very low36Very low101 Ų101150.4 Ų150.471%0.70681%0.812SS**  trans6588.1159.6-56.50000118.4
851Q37.1Very low36.4Very low189 Ų189148.2 Ų148.288%0.88380%0.8SS**  trans-127.2101.1132.6-72.3-164.48.300109.9
852T34Very low36.7Very low143 Ų143151.4 Ų151.488%0.87780%0.802SS**  trans-82.3128.4166.447.70000109.2
853M39.4Very low37.1Very low169 Ų169154.5 Ų154.583%0.83381%0.808SS**  trans-125.7136.9167.9-149.7-176-59.300110.5
854E36.1Very low37.2Very low165 Ų165152.9 Ų152.977%0.77181%0.81SS**  trans-83.1132.5-171.1173.5-178.8-156.200111.8
855Y40.1Very low37.4Very low226 Ų226152.4 Ų152.489%0.88681%0.812SS**  trans-147.4129.5155-100.9-76.7000110.6
856N34.9Very low37.9Very low140 Ų140150.2 Ų150.275%0.74980%0.801SS**  trans-127.7175.1-179.5-131.9-30.3000109.6
857E38.5Very low38.6Very low163 Ų163155.9 Ų155.976%0.76280%0.804SS**  trans65116.4-178.5-56.3-159.698.900117.5
858F40Very low39.1Very low211 Ų211157.8 Ų157.893%0.92581%0.807SS**  -160.9104.8108.6-113.1-72.9000110.9
859N34Very low39.5Very low140 Ų140153.3 Ų153.375%0.74980%0.804SS**  trans-79.2137.2171.6-82.4-64.7000110.9
860K41.4Very low39.9Very low185 Ų185151.9 Ų151.980%0.80481%0.805SS**  167.9137.7118-94.2167.5179.4172.40116.1
861I42.5Very low40.3Very low110 Ų110153.1 Ų153.156%0.56481%0.814SS**  trans63.4114.1140-58.1163000118
862H42.1Very low40.5Very low188 Ų188148 Ų14887%0.8781%0.811SS**  -158.8151.2104-103.3-73.9000111.2
863H43Very low41Very low178 Ų178152.1 Ų152.182%0.82481%0.811SS**  trans-114.3160.3-169.8-71.9-97.8000113.3
864G39.1Very low41.3Very low79 Ų79150 Ų15081%0.81481%0.812SS**  trans117.4138.9163.300000113.3
865S39.5Very low42Very low113 Ų113151.4 Ų151.479%0.7982%0.816SS**  cis-152.3155.20.5-179.20000110.5
866D44.6Very low42.3Very low137 Ų137144.8 Ų144.873%0.73380%0.803SS**  trans-75.4156.3-172.1-40.9-97.3000115.1
867R43.5Very low43.3Very low236 Ų236146.2 Ų146.289%0.89181%0.809SS**  -177.9122.5112.5-94.4150.5-166.6-125.8-1.8115.7
868S46Very low44Very low111 Ų111146 Ų14678%0.77681%0.809SS**  trans37.3116.8132.8-48.10000119.8
869A44.2Very low44.7Very low107 Ų107138.2 Ų138.288%0.88479%0.789SS**  cis8598.439.900000116.6
870A44.6Very low45.7Very low98 Ų98135.4 Ų135.481%0.8179%0.786SS**  trans-158.7113.5154.100000107.4
871S41.2Very low46.5Very low128 Ų128129.3 Ų129.390%0.89578%0.775SS**  74.9105.579.7-164.90000113.9
872G42.2Very low47.3Very low80 Ų80131 Ų13183%0.82578%0.781SS**  trans-169.558.5-174.700000114
873R44.8Very low48.2Very low231 Ų231129.3 Ų129.387%0.87277%0.773SS**  trans-83.3117.3-172.7166178.1160.5169-6.5113
874S45Very low49.3Very low124 Ų124127.5 Ų127.587%0.86777%0.765SS**  trans-135.4142.6166.7-74.40000111.4
875K50.4Low50.9Low194 Ų194125.6 Ų125.684%0.84375%0.745SS**  trans-117.8142.2177-75.2-170.4172.2-166.80110.7
876S47.6Very low52.6Low87 Ų87125 Ų12561%0.60873%0.733SS**  trans-157.383.4163.5-172.70000109M878S876-M878 PolarHBondContact O-N 3.24Å; S876-M878 VanDerWaalsContact O-N 3.17Å
877I56.2Low54.1Low170 Ų170126 Ų12687%0.87273%0.73SS**  63.86.984.2-140.3172.2000116.5
878M51.9Low55.7Low158 Ų158120.9 Ų120.978%0.77872%0.72SS**  trans-118.1-11.3173.4-60.3-160.7-5400116.1S876 A880S876-M878 PolarHBondContact O-N 3.24Å; S876-M878 VanDerWaalsContact O-N 3.17Å; M878-A880 VanDerWaalsContact C-N 3.31Å; M878-A880 PolarHBondContact O-N 3.07Å; M878-A880 VanDerWaalsContact O-N 3.12Å
879G55.3Low57.3Low49 Ų49121.1 Ų121.151%0.50571%0.709SS.*THydrogen-bonded Turntrans-74.11.7-167.900000118.5
880A55Low59.2Low81 Ų81120.2 Ų120.267%0.66969%0.689SS**Hα-helixtrans-76.4-26.3-170.600000114.8M878M878-A880 VanDerWaalsContact C-N 3.31Å; M878-A880 PolarHBondContact O-N 3.07Å; M878-A880 VanDerWaalsContact O-N 3.12Å
881G57.5Low61.3Low57 Ų57120.6 Ų120.659%0.58867%0.674SS**Hα-helixtrans-83.8-26-177.300000114.5G885G881-G885 PolarHBondContact O-N 3.28Å
882E58.8Low63.5Low146 Ų146117.5 Ų117.568%0.68266%0.656SS**Hα-helixtrans-77.8-32.6-176.5-63.6176.9163.300111.5G885 L886E882-G885 PolarHBondContact O-N 2.81Å; E882-L886 WeakPolarHBondContact O-CG 3.29Å; E882-L886 PolarHBondContact O-N 2.84Å
883E60.8Low65.9Low151 Ų151118.4 Ų118.471%0.70664%0.641SS**Hα-helixtrans-70.1-36.8-179.9-166.2169.4-152.300112.7K887E883-K887 WeakPolarHBondContact O-CB 3.44Å; E883-K887 PolarHBondContact O-N 2.81Å; E883-K887 VanDerWaalsContact O-N 3.11Å
884E67.8Low68.1Low141 Ų141114.2 Ų114.266%0.65963%0.626SS**Hα-helixtrans-69.8-38.6172.8-69.4-162.5140.200112.4K887 L888E884-K887 PolarHBondContact O-N 2.9Å; E884-L888 WeakPolarHBondContact O-CG 3.14Å; E884-L888 PolarHBondContact O-N 2.73Å
885G72.4Confident70.4Confident38 Ų38111.3 Ų111.339%0.39261%0.606SS.*Hα-helixtrans-59.7-50.5175.800000112.2G881 E882 K887 L888 E889G881-G885 PolarHBondContact O-N 3.28Å; E882-G885 PolarHBondContact O-N 2.81Å; G885-K887 VanDerWaalsContact C-N 3.26Å; G885-K887 PolarHBondContact O-N 2.85Å; G885-L888 PolarHBondContact O-N 3.29Å; G885-E889 PolarHBondContact O-N 2.9Å
886L74.2Confident72.4Confident101 Ų101107.5 Ų107.553%0.52959%0.594SS.*Hα-helixtrans-62.3-32.3176.2-70.7169.9000112.7E882 N890E882-L886 WeakPolarHBondContact O-CG 3.29Å; E882-L886 PolarHBondContact O-N 2.84Å; L886-N890 WeakPolarHBondContact O-CB 3.5Å; L886-N890 PolarHBondContact O-N 2.92Å; L886-N890 PolarHBondContact O-ND2 2.86Å
887K76.9Confident74.6Confident157 Ų157108.3 Ų108.368%0.68359%0.591SS**Hα-helixtrans-70.8-41.5176.7-171.2178.4179.6-175.20112.3E883 E884 G885 N890 E891E883-K887 WeakPolarHBondContact O-CB 3.44Å; E883-K887 PolarHBondContact O-N 2.81Å; E883-K887 VanDerWaalsContact O-N 3.11Å; E884-K887 PolarHBondContact O-N 2.9Å; G885-K887 VanDerWaalsContact C-N 3.26Å; G885-K887 PolarHBondContact O-N 2.85Å; K887-N890 PolarHBondContact O-N 2.62Å; K887-E891 PolarHBondContact O-N 2.97Å; K887-E891 VanDerWaalsContact O-N 3.12Å
888L77.2Confident76.5Confident129 Ų129105.2 Ų105.268%0.67558%0.576SS**Hα-helixtrans-65.6-40.5174-71.7168.9000111.6E884 G885 E891 A892E884-L888 WeakPolarHBondContact O-CG 3.14Å; E884-L888 PolarHBondContact O-N 2.73Å; G885-L888 PolarHBondContact O-N 3.29Å; L888-E891 PolarHBondContact O-N 2.82Å; L888-A892 WeakPolarHBondContact O-CB 2.96Å; L888-A892 PolarHBondContact O-N 2.92Å
889E79.4Confident78.5Confident117 Ų117102.2 Ų102.255%0.54756%0.563SS.*Hα-helixtrans-62.3-44.8174.7-174176.3-167.900111.8G885 E891 A892 L893G885-E889 PolarHBondContact O-N 2.9Å; E889-E891 VanDerWaalsContact C-N 3.31Å; E889-E891 PolarHBondContact O-N 3.3Å; E889-A892 PolarHBondContact O-N 3.01Å; E889-L893 HydrophobicContact CG-CD1 4.22Å; E889-L893 WeakPolarHBondContact O-CB 3.48Å; E889-L893 VanDerWaalsContact O-CG 3.3Å; E889-L893 WeakPolarHBondContact O-CG 3.45Å; E889-L893 PolarHBondContact O-N 3.23Å
890N83.7Confident80.3Confident87 Ų87102 Ų10247%0.46556%0.556SS.*Hα-helixtrans-61.7-37.1176-89.5-93.8000112.9L886 K887 R894L886-N890 WeakPolarHBondContact O-CB 3.5Å; L886-N890 PolarHBondContact O-N 2.92Å; L886-N890 PolarHBondContact O-ND2 2.86Å; K887-N890 PolarHBondContact O-N 2.62Å; N890-R894 WeakPolarHBondContact O-CD 3.38Å; N890-R894 VanDerWaalsContact O-CG 3.28Å; N890-R894 WeakPolarHBondContact O-CG 3.39Å; N890-R894 PolarHBondContact O-N 3.43Å
891E88.1Confident82.3Confident107 Ų107102.3 Ų102.350%0.555%0.547SS..Hα-helixtrans-75.5-35.3178.9-155.560.8-157.800112.1K887 L888 E889 R894 S895K887-E891 PolarHBondContact O-N 2.97Å; K887-E891 VanDerWaalsContact O-N 3.12Å; L888-E891 PolarHBondContact O-N 2.82Å; E889-E891 VanDerWaalsContact C-N 3.31Å; E889-E891 PolarHBondContact O-N 3.3Å; E891-R894 WeakPolarHBondContact O-CB 3.19Å; E891-R894 PolarHBondContact O-N 3.33Å; E891-R894 WeakPolarHBondContact OE2-CD 3.19Å; E891-R894 IonicContact OE2-CZ 3.76Å; E891-R894 IonicContact OE2-NE 3.9Å; E891-R894 IonicContact OE2-NH1 2.83Å; E891-R894 PolarHBondContact OE2-NH1 2.91Å; E891-S895 PolarHBondContact O-N 3.09Å
892A88.6Confident84Confident62 Ų62106 Ų10651%0.51255%0.548SS..Hα-helixtrans-62.1-42.7169.900000112.1L888 E889 R894 S895 L896L888-A892 WeakPolarHBondContact O-CB 2.96Å; L888-A892 PolarHBondContact O-N 2.92Å; E889-A892 PolarHBondContact O-N 3.01Å; A892-R894 VanDerWaalsContact C-N 3.31Å; A892-R894 PolarHBondContact O-N 2.79Å; A892-S895 PolarHBondContact O-N 3.26Å; A892-L896 WeakPolarHBondContact O-CB 3.24Å; A892-L896 PolarHBondContact O-N 2.78Å
893L91.9Very high85.8Confident99 Ų99104 Ų10452%0.51854%0.542SS..Hα-helixtrans-63.8-34.1174.5-71.9170.4000112.5E889 L897E889-L893 HydrophobicContact CG-CD1 4.22Å; E889-L893 WeakPolarHBondContact O-CB 3.48Å; E889-L893 VanDerWaalsContact O-CG 3.3Å; E889-L893 WeakPolarHBondContact O-CG 3.45Å; E889-L893 PolarHBondContact O-N 3.23Å; L893-L897 VanDerWaalsContact O-CB 3.31Å; L893-L897 WeakPolarHBondContact O-CB 3.32Å; L893-L897 PolarHBondContact O-N 3.29Å
894R91.7Very high87.4Confident143 Ų143100.6 Ų100.654%0.5453%0.528SS..Hα-helixtrans-69.2-42173.3-76.2163.9169.3-171.4-4.8112.8N890 E891 A892 L897 N898N890-R894 WeakPolarHBondContact O-CD 3.38Å; N890-R894 VanDerWaalsContact O-CG 3.28Å; N890-R894 WeakPolarHBondContact O-CG 3.39Å; N890-R894 PolarHBondContact O-N 3.43Å; E891-R894 WeakPolarHBondContact O-CB 3.19Å; E891-R894 PolarHBondContact O-N 3.33Å; E891-R894 WeakPolarHBondContact OE2-CD 3.19Å; E891-R894 IonicContact OE2-CZ 3.76Å; E891-R894 IonicContact OE2-NE 3.9Å; E891-R894 IonicContact OE2-NH1 2.83Å; E891-R894 PolarHBondContact OE2-NH1 2.91Å; A892-R894 VanDerWaalsContact C-N 3.31Å; A892-R894 PolarHBondContact O-N 2.79Å; R894-L897 PolarHBondContact O-N 2.93Å; R894-N898 PolarHBondContact O-N 2.9Å; R894-N898 PolarHBondContact O-ND2 3.15Å
895S92.2Very high88.6Confident64 Ų6497.6 Ų97.645%0.44852%0.522SS..Hα-helixtrans-58.3-52.6173.1-166.10000110.2E891 A892 L897 N898 D899E891-S895 PolarHBondContact O-N 3.09Å; A892-S895 PolarHBondContact O-N 3.26Å; S895-L897 VanDerWaalsContact C-N 3.26Å; S895-L897 PolarHBondContact O-N 3.08Å; S895-N898 WeakPolarHBondContact O-CA 3.43Å; S895-N898 WeakPolarHBondContact O-CB 3.18Å; S895-N898 PolarHBondContact O-N 2.92Å; S895-D899 VanDerWaalsContact O-CG 3.26Å; S895-D899 PolarHBondContact O-N 2.68Å; S895-D899 VanDerWaalsContact O-OD2 3.09Å
896L93.4Very high89.6Confident114 Ų11499.3 Ų99.360%0.59753%0.525SS*.Hα-helixtrans-59.7-35.5-180-175.363.2000112.8A892 A900A892-L896 WeakPolarHBondContact O-CB 3.24Å; A892-L896 PolarHBondContact O-N 2.78Å; L896-A900 VanDerWaalsContact O-CB 3.29Å; L896-A900 WeakPolarHBondContact O-CB 3.42Å; L896-A900 PolarHBondContact O-N 2.81Å
897L94.3Very high90.7Very high103 Ų10398.9 Ų98.954%0.53952%0.523SS..Hα-helixtrans-68.4-39173.8-179.260.4000112.2L893 R894 S895 N901L893-L897 VanDerWaalsContact O-CB 3.31Å; L893-L897 WeakPolarHBondContact O-CB 3.32Å; L893-L897 PolarHBondContact O-N 3.29Å; R894-L897 PolarHBondContact O-N 2.93Å; S895-L897 VanDerWaalsContact C-N 3.26Å; S895-L897 PolarHBondContact O-N 3.08Å; L897-N901 WeakPolarHBondContact O-CB 3Å; L897-N901 VanDerWaalsContact O-CG 3.23Å; L897-N901 PolarHBondContact O-N 3.45Å; L897-N901 PolarHBondContact O-ND2 2.97Å
898N94.9Very high91.6Very high106 Ų10698.3 Ų98.357%0.56752%0.52SS*.Hα-helixtrans-66.8-43.1174.6-71.9-21.8000111.5R894 S895 A900 N901 H902R894-N898 PolarHBondContact O-N 2.9Å; R894-N898 PolarHBondContact O-ND2 3.15Å; S895-N898 WeakPolarHBondContact O-CA 3.43Å; S895-N898 WeakPolarHBondContact O-CB 3.18Å; S895-N898 PolarHBondContact O-N 2.92Å; N898-A900 PolarHBondContact O-N 3.27Å; N898-N901 PolarHBondContact O-N 2.7Å; N898-H902 PolarHBondContact O-N 2.85Å
899D93.7Very high92.4Very high95 Ų9595.9 Ų95.951%0.50851%0.514SS..Hα-helixtrans-61.6-43.4176.1-62.4-38.7000111.1S895 H902 L903S895-D899 VanDerWaalsContact O-CG 3.26Å; S895-D899 PolarHBondContact O-N 2.68Å; S895-D899 VanDerWaalsContact O-OD2 3.09Å; D899-H902 PolarHBondContact O-N 2.85Å; D899-L903 WeakPolarHBondContact O-CB 3.46Å; D899-L903 PolarHBondContact O-N 2.9Å
900A94.6Very high93.2Very high43 Ų4395.9 Ų95.936%0.35551%0.513SS..Hα-helixtrans-63.2-42.417400000112.4L896 N898 L903 I904L896-A900 VanDerWaalsContact O-CB 3.29Å; L896-A900 WeakPolarHBondContact O-CB 3.42Å; L896-A900 PolarHBondContact O-N 2.81Å; N898-A900 PolarHBondContact O-N 3.27Å; A900-L903 PolarHBondContact O-N 2.75Å; A900-I904 WeakPolarHBondContact O-CB 3.21Å; A900-I904 WeakPolarHBondContact O-CD1 3.13Å; A900-I904 VanDerWaalsContact O-CG1 3.22Å; A900-I904 WeakPolarHBondContact O-CG1 3.16Å; A900-I904 PolarHBondContact O-N 3.07Å
901N95.2Very high93.7Very high88 Ų8894.7 Ų94.747%0.47151%0.51SS..Hα-helixtrans-64.7-39.6175.9-77.3-37.8000112.1L897 N898 I904 S905L897-N901 WeakPolarHBondContact O-CB 3Å; L897-N901 VanDerWaalsContact O-CG 3.23Å; L897-N901 PolarHBondContact O-N 3.45Å; L897-N901 PolarHBondContact O-ND2 2.97Å; N898-N901 PolarHBondContact O-N 2.7Å; N901-I904 PolarHBondContact O-N 2.97Å; N901-S905 PolarHBondContact O-N 2.82Å
902H95.1Very high94Very high134 Ų13494.9 Ų94.962%0.6251%0.514SS*.Hα-helixtrans-62.5-48.4174-173.5-71.9000110.8N898 D899 I904 S905 T906N898-H902 PolarHBondContact O-N 2.85Å; D899-H902 PolarHBondContact O-N 2.85Å; H902-I904 VanDerWaalsContact C-N 3.33Å; H902-I904 PolarHBondContact O-N 2.83Å; H902-S905 WeakPolarHBondContact O-CA 3.44Å; H902-S905 VanDerWaalsContact O-CB 3.29Å; H902-S905 WeakPolarHBondContact O-CB 3.29Å; H902-S905 PolarHBondContact O-N 2.81Å; H902-T906 PolarHBondContact O-N 3.44Å; H902-T906 PolarHBondContact O-OG1 3.08Å
903L95.1Very high94.2Very high104 Ų10495 Ų9555%0.54551%0.508SS..Hα-helixtrans-59.3-42176.9-179.761.2000112.2D899 A900 S905 T906 I907D899-L903 WeakPolarHBondContact O-CB 3.46Å; D899-L903 PolarHBondContact O-N 2.9Å; A900-L903 PolarHBondContact O-N 2.75Å; L903-S905 VanDerWaalsContact C-N 3.29Å; L903-S905 PolarHBondContact O-N 3.29Å; L903-T906 PolarHBondContact O-N 3.14Å; L903-I907 HydrophobicContact CD1-CD1 4.04Å; L903-I907 HydrophobicContact CD1-CG1 4.31Å; L903-I907 HydrophobicContact CG-CD1 3.92Å; L903-I907 WeakPolarHBondContact O-CB 3.39Å; L903-I907 VanDerWaalsContact O-CG1 3.29Å; L903-I907 WeakPolarHBondContact O-CG1 3.44Å; L903-I907 PolarHBondContact O-N 3.34Å
904I94.3Very high94.3Very high81 Ų8194.4 Ų94.442%0.41551%0.505SS..Hα-helixtrans-61.1-38.8173.9-71.8163.8000111.1A900 N901 H902 K908A900-I904 WeakPolarHBondContact O-CB 3.21Å; A900-I904 WeakPolarHBondContact O-CD1 3.13Å; A900-I904 VanDerWaalsContact O-CG1 3.22Å; A900-I904 WeakPolarHBondContact O-CG1 3.16Å; A900-I904 PolarHBondContact O-N 3.07Å; N901-I904 PolarHBondContact O-N 2.97Å; H902-I904 VanDerWaalsContact C-N 3.33Å; H902-I904 PolarHBondContact O-N 2.83Å; I904-K908 HydrophobicContact CG2-CD 4.17Å; I904-K908 WeakPolarHBondContact O-CB 3.44Å; I904-K908 VanDerWaalsContact O-CG 3.29Å; I904-K908 WeakPolarHBondContact O-CG 3.48Å; I904-K908 PolarHBondContact O-N 3.34Å
905S93.9Very high94.5Very high77 Ų7792.9 Ų92.954%0.53850%0.504SS..Hα-helixtrans-65-47175.5-163.60000111.9N901 H902 L903 I907 K908 S909N901-S905 PolarHBondContact O-N 2.82Å; H902-S905 WeakPolarHBondContact O-CA 3.44Å; H902-S905 VanDerWaalsContact O-CB 3.29Å; H902-S905 WeakPolarHBondContact O-CB 3.29Å; H902-S905 PolarHBondContact O-N 2.81Å; L903-S905 VanDerWaalsContact C-N 3.29Å; L903-S905 PolarHBondContact O-N 3.29Å; S905-I907 PolarHBondContact O-N 2.91Å; S905-K908 PolarHBondContact O-N 2.87Å; S905-S909 PolarHBondContact O-N 3.24Å
906T94.3Very high94.5Very high75 Ų7593.6 Ų93.646%0.4651%0.505SS..Hα-helixtrans-59.7-44.7176-51.50000111.9H902 L903 S909 H910H902-T906 PolarHBondContact O-N 3.44Å; H902-T906 PolarHBondContact O-OG1 3.08Å; L903-T906 PolarHBondContact O-N 3.14Å; T906-S909 PolarHBondContact O-N 3.28Å; T906-H910 PolarHBondContact O-N 2.93Å
907I96.1Very high94.6Very high92 Ų9293.4 Ų93.447%0.47250%0.502SS..Hα-helixtrans-63-46.6177.7-69.6167.9000110.7L903 S905 S909 H910 T911L903-I907 HydrophobicContact CD1-CD1 4.04Å; L903-I907 HydrophobicContact CD1-CG1 4.31Å; L903-I907 HydrophobicContact CG-CD1 3.92Å; L903-I907 WeakPolarHBondContact O-CB 3.39Å; L903-I907 VanDerWaalsContact O-CG1 3.29Å; L903-I907 WeakPolarHBondContact O-CG1 3.44Å; L903-I907 PolarHBondContact O-N 3.34Å; S905-I907 PolarHBondContact O-N 2.91Å; I907-S909 VanDerWaalsContact C-N 3.34Å; I907-S909 PolarHBondContact O-N 2.83Å; I907-H910 PolarHBondContact O-N 2.95Å; I907-T911 PolarHBondContact O-N 2.87Å; I907-T911 PolarHBondContact O-OG1 2.92Å; I907-T911 VanDerWaalsContact O-OG1 3.11Å
908K95.9Very high94.5Very high145 Ų14593.9 Ų93.963%0.6350%0.504SS*.Hα-helixtrans-58.7-43.7176.9-78175176.9-177.60112.6I904 S905 T911 L912I904-K908 HydrophobicContact CG2-CD 4.17Å; I904-K908 WeakPolarHBondContact O-CB 3.44Å; I904-K908 VanDerWaalsContact O-CG 3.29Å; I904-K908 WeakPolarHBondContact O-CG 3.48Å; I904-K908 PolarHBondContact O-N 3.34Å; S905-K908 PolarHBondContact O-N 2.87Å; K908-T911 PolarHBondContact O-N 2.86Å; K908-L912 PolarHBondContact O-N 3.2Å
909S94.6Very high94.4Very high77 Ų7793.6 Ų93.654%0.53850%0.502SS..Hα-helixtrans-59.6-49.8176.4-174.70000111.3S905 T906 I907 T911 L912 T913S905-S909 PolarHBondContact O-N 3.24Å; T906-S909 PolarHBondContact O-N 3.28Å; I907-S909 VanDerWaalsContact C-N 3.34Å; I907-S909 PolarHBondContact O-N 2.83Å; S909-T911 PolarHBondContact O-N 2.87Å; S909-L912 PolarHBondContact O-N 3.37Å; S909-T913 PolarHBondContact O-N 3.13Å; S909-T913 PolarHBondContact O-OG1 3.35Å
910H95.2Very high94.4Very high117 Ų11791.4 Ų91.454%0.54250%0.498SS..Hα-helixtrans-64.5-36.6178.6-171.2-94.2000113.2T906 I907 T913 L914T906-H910 PolarHBondContact O-N 2.93Å; I907-H910 PolarHBondContact O-N 2.95Å; H910-T913 PolarHBondContact O-N 2.84Å; H910-L914 WeakPolarHBondContact O-CG 3.13Å; H910-L914 PolarHBondContact O-N 3.45Å
911T94.4Very high94.4Very high63 Ų6395.4 Ų95.439%0.38751%0.507SS..Hα-helixtrans-61.2-46.9172.4-64.90000111.3I907 K908 S909 T913 L914 E915I907-T911 PolarHBondContact O-N 2.87Å; I907-T911 PolarHBondContact O-OG1 2.92Å; I907-T911 VanDerWaalsContact O-OG1 3.11Å; K908-T911 PolarHBondContact O-N 2.86Å; S909-T911 PolarHBondContact O-N 2.87Å; T911-T913 PolarHBondContact O-N 2.95Å; T911-L914 PolarHBondContact O-N 2.9Å; T911-E915 HydrophobicContact CG2-CG 4.46Å; T911-E915 WeakPolarHBondContact O-CG 3.39Å; T911-E915 PolarHBondContact O-N 3.37Å
912L94.4Very high94.4Very high111 Ų11194.4 Ų94.458%0.58150%0.504SS*.Hα-helixtrans-62.6-41.6179.3-169.9153.1000111.6K908 S909 E915 T916K908-L912 PolarHBondContact O-N 3.2Å; S909-L912 PolarHBondContact O-N 3.37Å; L912-E915 PolarHBondContact O-N 2.92Å; L912-T916 HydrophobicContact CD2-CG2 4.33Å; L912-T916 WeakPolarHBondContact O-CG2 3.33Å; L912-T916 PolarHBondContact O-N 3.45Å
913T93.2Very high94.2Very high64 Ų6493.1 Ų93.139%0.39350%0.502SS..Hα-helixtrans-58.2-50.2173.1-55.40000111.5S909 H910 T911 E915 T916 E917S909-T913 PolarHBondContact O-N 3.13Å; S909-T913 PolarHBondContact O-OG1 3.35Å; H910-T913 PolarHBondContact O-N 2.84Å; T911-T913 PolarHBondContact O-N 2.95Å; T913-E915 VanDerWaalsContact C-N 3.29Å; T913-E915 PolarHBondContact O-N 2.86Å; T913-T916 PolarHBondContact O-N 3.4Å; T913-T916 VanDerWaalsContact O-N 3.08Å; T913-T916 PolarHBondContact O-OG1 3.47Å; T913-E917 PolarHBondContact O-N 2.78Å
914L94.6Very high94.1Very high86 Ų8690 Ų9045%0.4549%0.486SS..Hα-helixtrans-63-32.9178.8-72.2177.4000113.1H910 T911 L918H910-L914 WeakPolarHBondContact O-CG 3.13Å; H910-L914 PolarHBondContact O-N 3.45Å; T911-L914 PolarHBondContact O-N 2.9Å; L914-L918 VanDerWaalsContact O-CB 3.23Å; L914-L918 WeakPolarHBondContact O-CB 3.32Å; L914-L918 PolarHBondContact O-N 2.77Å
915E94.2Very high94.2Very high112 Ų11290.6 Ų90.652%0.52349%0.493SS..Hα-helixtrans-66.3-39.7172.7-74.4173.317700111.5T911 L912 T913 L918 N919T911-E915 HydrophobicContact CG2-CG 4.46Å; T911-E915 WeakPolarHBondContact O-CG 3.39Å; T911-E915 PolarHBondContact O-N 3.37Å; L912-E915 PolarHBondContact O-N 2.92Å; T913-E915 VanDerWaalsContact C-N 3.29Å; T913-E915 PolarHBondContact O-N 2.86Å; E915-L918 PolarHBondContact O-N 3.02Å; E915-N919 WeakPolarHBondContact O-CB 3.48Å; E915-N919 VanDerWaalsContact O-CG 3.26Å; E915-N919 PolarHBondContact O-N 3.22Å; E915-N919 PolarHBondContact O-ND2 2.98Å; E915-N919 VanDerWaalsContact O-ND2 3.1Å
916T94Very high94.1Very high78 Ų7891.3 Ų91.348%0.47949%0.49SS..Hα-helixtrans-67.3-40.3174.162.30000112.9L912 T913 N919 A920L912-T916 HydrophobicContact CD2-CG2 4.33Å; L912-T916 WeakPolarHBondContact O-CG2 3.33Å; L912-T916 PolarHBondContact O-N 3.45Å; T913-T916 PolarHBondContact O-N 3.4Å; T913-T916 VanDerWaalsContact O-N 3.08Å; T913-T916 PolarHBondContact O-OG1 3.47Å; T916-N919 PolarHBondContact O-N 2.81Å; T916-A920 WeakPolarHBondContact O-CB 3.34Å; T916-A920 PolarHBondContact O-N 3.39Å
917E94.5Very high94.1Very high111 Ų11194.5 Ų94.552%0.51949%0.494SS..Hα-helixtrans-64.9-42.1174.7-71.3-175.5-173.500111.9T913 A920 K921T913-E917 PolarHBondContact O-N 2.78Å; E917-A920 PolarHBondContact O-N 2.9Å; E917-K921 WeakPolarHBondContact O-CG 3.5Å; E917-K921 PolarHBondContact O-N 3.4Å
918L92.8Very high94.1Very high112 Ų11294.8 Ų94.859%0.58650%0.496SS*.Hα-helixtrans-63.2-44.9177.6-178.261.5000111.3L914 E915 A920 K921 V922L914-L918 VanDerWaalsContact O-CB 3.23Å; L914-L918 WeakPolarHBondContact O-CB 3.32Å; L914-L918 PolarHBondContact O-N 2.77Å; E915-L918 PolarHBondContact O-N 3.02Å; L918-A920 VanDerWaalsContact C-N 3.35Å; L918-A920 PolarHBondContact O-N 3.39Å; L918-K921 CarbonylContact O-C 3.5Å; L918-K921 PolarHBondContact O-N 3.11Å; L918-K921 VanDerWaalsContact O-N 3.11Å; L918-V922 WeakPolarHBondContact O-CG2 3.39Å; L918-V922 PolarHBondContact O-N 3.49Å
919N92.4Very high94Very high100 Ų10091 Ų9154%0.53549%0.488SS..Hα-helixtrans-62.5-40.6175.8-73.3-31.9000111.8E915 T916 K921 V922 N923E915-N919 WeakPolarHBondContact O-CB 3.48Å; E915-N919 VanDerWaalsContact O-CG 3.26Å; E915-N919 PolarHBondContact O-N 3.22Å; E915-N919 PolarHBondContact O-ND2 2.98Å; E915-N919 VanDerWaalsContact O-ND2 3.1Å; T916-N919 PolarHBondContact O-N 2.81Å; N919-K921 VanDerWaalsContact C-N 3.29Å; N919-K921 PolarHBondContact O-N 3.45Å; N919-V922 PolarHBondContact O-N 2.9Å; N919-N923 VanDerWaalsContact O-CG 3.27Å; N919-N923 PolarHBondContact O-N 2.91Å; N919-N923 PolarHBondContact O-ND2 3.44Å
920A92.8Very high94Very high50 Ų5092 Ų9241%0.41348%0.484SS..Hα-helixtrans-61.1-37.6172.500000112.3T916 E917 L918 N923 D924T916-A920 WeakPolarHBondContact O-CB 3.34Å; T916-A920 PolarHBondContact O-N 3.39Å; E917-A920 PolarHBondContact O-N 2.9Å; L918-A920 VanDerWaalsContact C-N 3.35Å; L918-A920 PolarHBondContact O-N 3.39Å; A920-N923 PolarHBondContact O-N 2.8Å; A920-D924 PolarHBondContact O-N 3.06Å
921K95Very high93.9Very high126 Ų12690.9 Ų90.955%0.54848%0.479SS..Hα-helixtrans-74-31.5176.7-69.1-68.3148-148.60114E917 L918 N919 D924 V925E917-K921 WeakPolarHBondContact O-CG 3.5Å; E917-K921 PolarHBondContact O-N 3.4Å; L918-K921 CarbonylContact O-C 3.5Å; L918-K921 PolarHBondContact O-N 3.11Å; L918-K921 VanDerWaalsContact O-N 3.11Å; N919-K921 VanDerWaalsContact C-N 3.29Å; N919-K921 PolarHBondContact O-N 3.45Å; K921-D924 IonicContact NZ-OD2 3.77Å; K921-D924 PolarHBondContact NZ-OD2 2.99Å; K921-D924 PolarHBondContact O-N 3.34Å; K921-V925 WeakPolarHBondContact O-CG2 3.23Å; K921-V925 PolarHBondContact O-N 3.04Å
922V94.7Very high93.8Very high67 Ų6793.3 Ų93.341%0.40649%0.489SS..Hα-helixtrans-63.2-47.9169.2172.20000109.9L918 N919 D924 V925 D926L918-V922 WeakPolarHBondContact O-CG2 3.39Å; L918-V922 PolarHBondContact O-N 3.49Å; N919-V922 PolarHBondContact O-N 2.9Å; V922-D924 VanDerWaalsContact C-N 3.33Å; V922-D924 PolarHBondContact O-N 2.86Å; V922-V925 WeakPolarHBondContact O-CB 3.12Å; V922-V925 PolarHBondContact O-N 3.22Å; V922-D926 PolarHBondContact O-N 2.59Å
923N92.1Very high93.7Very high107 Ų10791.2 Ų91.257%0.57248%0.483SS*.Hα-helixtrans-61-37.8176.8-66.1-21.1000113N919 A920 R927N919-N923 VanDerWaalsContact O-CG 3.27Å; N919-N923 PolarHBondContact O-N 2.91Å; N919-N923 PolarHBondContact O-ND2 3.44Å; A920-N923 PolarHBondContact O-N 2.8Å; N923-R927 WeakPolarHBondContact O-CB 3.46Å; N923-R927 PolarHBondContact O-N 2.85Å
924D93.7Very high93.6Very high40 Ų4094.2 Ų94.221%0.21449%0.487CS..Hα-helixtrans-61.2-43.3171.2-88.4-27.1000112.1A920 K921 V922 R927 L928A920-D924 PolarHBondContact O-N 3.06Å; K921-D924 IonicContact NZ-OD2 3.77Å; K921-D924 PolarHBondContact NZ-OD2 2.99Å; K921-D924 PolarHBondContact O-N 3.34Å; V922-D924 VanDerWaalsContact C-N 3.33Å; V922-D924 PolarHBondContact O-N 2.86Å; D924-R927 IonicContact OD1-CZ 2.63Å; D924-R927 IonicContact OD1-NH1 2.99Å; D924-R927 PolarHBondContact OD1-NH1 3.21Å; D924-R927 IonicContact OD1-NH2 2.65Å; D924-R927 PolarHBondContact OD1-NH2 2.8Å; D924-L928 WeakPolarHBondContact O-CB 3.25Å; D924-L928 VanDerWaalsContact O-CG 3.25Å; D924-L928 WeakPolarHBondContact O-CG 3.45Å; D924-L928 PolarHBondContact O-N 3.1Å
925V94.9Very high93.5Very high92 Ų9293.7 Ų93.756%0.55848%0.484SS*.Hα-helixtrans-66.5-44.1179.11670000111.3K921 V922 L928 S929K921-V925 WeakPolarHBondContact O-CG2 3.23Å; K921-V925 PolarHBondContact O-N 3.04Å; V922-V925 WeakPolarHBondContact O-CB 3.12Å; V922-V925 PolarHBondContact O-N 3.22Å; V925-L928 PolarHBondContact O-N 2.85Å; V925-S929 WeakPolarHBondContact O-CB 3.29Å; V925-S929 PolarHBondContact O-N 3.37Å
926D92.8Very high93.4Very high92 Ų9294.1 Ų94.149%0.49248%0.484SS..Hα-helixtrans-63.4-44.6178.3-73.6-26.2000111V922 L928 S929 E930V922-D926 PolarHBondContact O-N 2.59Å; D926-L928 PolarHBondContact O-N 2.97Å; D926-S929 WeakPolarHBondContact O-CB 3.46Å; D926-S929 PolarHBondContact O-N 2.96Å; D926-S929 VanDerWaalsContact O-N 3.14Å; D926-S929 PolarHBondContact O-OG 2.99Å; D926-E930 PolarHBondContact O-N 3.23Å
927R94.8Very high93.2Very high142 Ų14294.4 Ų94.454%0.53648%0.483SS..Hα-helixtrans-58.4-45.1173.3-172.2-175.270.6-122.5-10.8112.2N923 D924 S929 E930 E931N923-R927 WeakPolarHBondContact O-CB 3.46Å; N923-R927 PolarHBondContact O-N 2.85Å; D924-R927 IonicContact OD1-CZ 2.63Å; D924-R927 IonicContact OD1-NH1 2.99Å; D924-R927 PolarHBondContact OD1-NH1 3.21Å; D924-R927 IonicContact OD1-NH2 2.65Å; D924-R927 PolarHBondContact OD1-NH2 2.8Å; R927-S929 VanDerWaalsContact C-N 3.32Å; R927-S929 PolarHBondContact O-N 3.04Å; R927-E930 PolarHBondContact O-N 2.87Å; R927-E931 PolarHBondContact O-N 3.18Å
928L95.5Very high93Very high98 Ų9896.3 Ų96.351%0.51349%0.485SS..Hα-helixtrans-65.7-34.3176.5-74.3169.8000112.1D924 V925 D926 L932D924-L928 WeakPolarHBondContact O-CB 3.25Å; D924-L928 VanDerWaalsContact O-CG 3.25Å; D924-L928 WeakPolarHBondContact O-CG 3.45Å; D924-L928 PolarHBondContact O-N 3.1Å; V925-L928 PolarHBondContact O-N 2.85Å; D926-L928 PolarHBondContact O-N 2.97Å; L928-L932 WeakPolarHBondContact O-CB 3.34Å; L928-L932 VanDerWaalsContact O-CG 3.27Å; L928-L932 WeakPolarHBondContact O-CG 3.34Å; L928-L932 PolarHBondContact O-N 2.99Å
929S93.3Very high92.9Very high65 Ų6592.2 Ų92.246%0.45546%0.464SS..Hα-helixtrans-66.8-38175.786.50000111.9V925 D926 R927 C933V925-S929 WeakPolarHBondContact O-CB 3.29Å; V925-S929 PolarHBondContact O-N 3.37Å; D926-S929 WeakPolarHBondContact O-CB 3.46Å; D926-S929 PolarHBondContact O-N 2.96Å; D926-S929 VanDerWaalsContact O-N 3.14Å; D926-S929 PolarHBondContact O-OG 2.99Å; R927-S929 VanDerWaalsContact C-N 3.32Å; R927-S929 PolarHBondContact O-N 3.04Å; S929-C933 WeakPolarHBondContact O-CB 3.48Å; S929-C933 PolarHBondContact O-N 2.85Å
930E93.9Very high92.7Very high98 Ų9891.9 Ų91.946%0.45846%0.462SS..Hα-helixtrans-69.3-45.3176.4-152.4-154.8156.400111.2D926 R927 L932 C933 R934D926-E930 PolarHBondContact O-N 3.23Å; R927-E930 PolarHBondContact O-N 2.87Å; E930-L932 PolarHBondContact O-N 3.28Å; E930-C933 CarbonylContact O-C 3.51Å; E930-C933 WeakPolarHBondContact O-CA 3.26Å; E930-C933 WeakPolarHBondContact O-CB 3.38Å; E930-C933 PolarHBondContact O-N 3.44Å; E930-C933 VanDerWaalsContact O-N 3.08Å; E930-R934 VanDerWaalsContact CD-CZ 3.48Å; E930-R934 VanDerWaalsContact CD-NE 3.29Å; E930-R934 WeakPolarHBondContact O-CB 3.38Å; E930-R934 VanDerWaalsContact O-CG 3.28Å; E930-R934 WeakPolarHBondContact O-CG 3.44Å; E930-R934 PolarHBondContact O-N 3.1Å; E930-R934 IonicContact OE1-CZ 2.74Å; E930-R934 IonicContact OE1-NE 2.98Å; E930-R934 PolarHBondContact OE1-NE 3.01Å; E930-R934 IonicContact OE1-NH2 3.73Å; E930-R934 PolarHBondContact OE1-NH2 2.92Å; E930-R934 IonicContact OE2-CZ 2.85Å; E930-R934 IonicContact OE2-NE 2.68Å; E930-R934 IonicContact OE2-NH2 3.66Å; E930-R934 PolarHBondContact OE2-NH2 3.33Å
931E94.5Very high92.6Very high94 Ų9496.7 Ų96.744%0.43948%0.479SS..Hα-helixtrans-61.2-41175.3-77.4-61.1118.900112.4R927 C933 R934 L935R927-E931 PolarHBondContact O-N 3.18Å; E931-C933 VanDerWaalsContact C-N 3.31Å; E931-C933 PolarHBondContact O-N 2.98Å; E931-R934 PolarHBondContact O-N 3.03Å; E931-R934 WeakPolarHBondContact OE1-CD 3.1Å; E931-R934 IonicContact OE1-CZ 2.65Å; E931-R934 IonicContact OE1-NE 2.69Å; E931-R934 IonicContact OE1-NH1 3.19Å; E931-R934 PolarHBondContact OE1-NH1 3.23Å; E931-L935 VanDerWaalsContact O-CB 3.29Å; E931-L935 WeakPolarHBondContact O-CB 3.41Å; E931-L935 PolarHBondContact O-N 3.19Å
932L92.1Very high92.4Very high115 Ų11595 Ų9560%0.60248%0.477SS*.Hα-helixtrans-63.7-35.9172.2-76.9166.8000112.2L928 E930 K936L928-L932 WeakPolarHBondContact O-CB 3.34Å; L928-L932 VanDerWaalsContact O-CG 3.27Å; L928-L932 WeakPolarHBondContact O-CG 3.34Å; L928-L932 PolarHBondContact O-N 2.99Å; E930-L932 PolarHBondContact O-N 3.28Å; L932-K936 WeakPolarHBondContact O-CB 3.38Å; L932-K936 PolarHBondContact O-N 3.41Å
933C91.6Very high92Very high66 Ų6694.3 Ų94.345%0.44648%0.483SS..Hα-helixtrans-67.9-46.1174.8-162.80000111.7S929 E930 E931 K936 N937S929-C933 WeakPolarHBondContact O-CB 3.48Å; S929-C933 PolarHBondContact O-N 2.85Å; E930-C933 CarbonylContact O-C 3.51Å; E930-C933 WeakPolarHBondContact O-CA 3.26Å; E930-C933 WeakPolarHBondContact O-CB 3.38Å; E930-C933 PolarHBondContact O-N 3.44Å; E930-C933 VanDerWaalsContact O-N 3.08Å; E931-C933 VanDerWaalsContact C-N 3.31Å; E931-C933 PolarHBondContact O-N 2.98Å; C933-K936 PolarHBondContact O-N 3.09Å; C933-N937 WeakPolarHBondContact O-CB 3.41Å; C933-N937 VanDerWaalsContact O-CG 3.23Å; C933-N937 PolarHBondContact O-N 3.25Å; C933-N937 PolarHBondContact O-ND2 3.09Å; C933-N937 VanDerWaalsContact O-ND2 3.13Å
934R92.3Very high91.6Very high128 Ų12892.5 Ų92.548%0.48347%0.473SS..Hα-helixtrans-57.7-48.3174.5-69.7164.5176.7-165.81.8110.9E930 E931 N937 R938E930-R934 VanDerWaalsContact CD-CZ 3.48Å; E930-R934 VanDerWaalsContact CD-NE 3.29Å; E930-R934 WeakPolarHBondContact O-CB 3.38Å; E930-R934 VanDerWaalsContact O-CG 3.28Å; E930-R934 WeakPolarHBondContact O-CG 3.44Å; E930-R934 PolarHBondContact O-N 3.1Å; E930-R934 IonicContact OE1-CZ 2.74Å; E930-R934 IonicContact OE1-NE 2.98Å; E930-R934 PolarHBondContact OE1-NE 3.01Å; E930-R934 IonicContact OE1-NH2 3.73Å; E930-R934 PolarHBondContact OE1-NH2 2.92Å; E930-R934 IonicContact OE2-CZ 2.85Å; E930-R934 IonicContact OE2-NE 2.68Å; E930-R934 IonicContact OE2-NH2 3.66Å; E930-R934 PolarHBondContact OE2-NH2 3.33Å; E931-R934 PolarHBondContact O-N 3.03Å; E931-R934 WeakPolarHBondContact OE1-CD 3.1Å; E931-R934 IonicContact OE1-CZ 2.65Å; E931-R934 IonicContact OE1-NE 2.69Å; E931-R934 IonicContact OE1-NH1 3.19Å; E931-R934 PolarHBondContact OE1-NH1 3.23Å; R934-N937 PolarHBondContact O-N 3.25Å; R934-R938 PolarHBondContact O-N 3.25Å
935L92.2Very high91Very high74 Ų7495 Ų9539%0.38749%0.49SS..Hα-helixtrans-62.3-45.7177179.460.1000112.2E931 N937 R938 L939E931-L935 VanDerWaalsContact O-CB 3.29Å; E931-L935 WeakPolarHBondContact O-CB 3.41Å; E931-L935 PolarHBondContact O-N 3.19Å; L935-N937 VanDerWaalsContact C-N 3.34Å; L935-N937 PolarHBondContact O-N 3.3Å; L935-R938 PolarHBondContact O-N 2.96Å; L935-L939 HydrophobicContact CD1-CD1 4.25Å; L935-L939 HydrophobicContact CD1-CG 4.26Å; L935-L939 HydrophobicContact CG-CD1 4.1Å; L935-L939 WeakPolarHBondContact O-CG 3.49Å; L935-L939 PolarHBondContact O-N 3.19Å
936K91.4Very high90.4Very high121 Ų12197 Ų9753%0.52649%0.493SS..Hα-helixtrans-59.6-43175.9178.3171.2-177.31690112L932 C933 L939 L940 L948L932-K936 WeakPolarHBondContact O-CB 3.38Å; L932-K936 PolarHBondContact O-N 3.41Å; C933-K936 PolarHBondContact O-N 3.09Å; K936-L939 PolarHBondContact O-N 2.88Å; K936-L940 HydrophobicContact CG-CD1 4.3Å; K936-L940 VanDerWaalsContact O-CG 3.32Å; K936-L940 WeakPolarHBondContact O-CG 3.13Å; K936-L940 PolarHBondContact O-N 3.14Å; K936-L948 HydrophobicContact CG-CD2 4.14Å
937N90.1Very high89.8Confident85 Ų85100 Ų10046%0.45550%0.498SS..Hα-helixtrans-65.8-39.1176.7-70.3-31000111.7C933 R934 L935 L940 L941C933-N937 WeakPolarHBondContact O-CB 3.41Å; C933-N937 VanDerWaalsContact O-CG 3.23Å; C933-N937 PolarHBondContact O-N 3.25Å; C933-N937 PolarHBondContact O-ND2 3.09Å; C933-N937 VanDerWaalsContact O-ND2 3.13Å; R934-N937 PolarHBondContact O-N 3.25Å; L935-N937 VanDerWaalsContact C-N 3.34Å; L935-N937 PolarHBondContact O-N 3.3Å; N937-L940 PolarHBondContact O-N 2.76Å; N937-L941 WeakPolarHBondContact O-CG 3.22Å; N937-L941 PolarHBondContact O-N 3.28Å
938R90.5Very high89Confident151 Ų15196 Ų9657%0.5749%0.488SS*.Hα-helixtrans-64.2-48.9174.4-163.3179.471.8-164.4-1.4111.9R934 L935 L940 L941 D942R934-R938 PolarHBondContact O-N 3.25Å; L935-R938 PolarHBondContact O-N 2.96Å; R938-L940 PolarHBondContact O-N 2.96Å; R938-L941 PolarHBondContact O-N 3.15Å; R938-D942 WeakPolarHBondContact CG-OD2 3.23Å; R938-D942 WeakPolarHBondContact O-CB 3.44Å; R938-D942 VanDerWaalsContact O-CG 3.22Å; R938-D942 PolarHBondContact O-N 3.03Å
939L90.4Very high87.7Confident25 Ų2598.5 Ų98.513%0.13150%0.497CS..Hα-helixtrans-59.1-32.3176.4-70.4170.3000113.1L935 K936 G943 L944 Y947 L948L935-L939 HydrophobicContact CD1-CD1 4.25Å; L935-L939 HydrophobicContact CD1-CG 4.26Å; L935-L939 HydrophobicContact CG-CD1 4.1Å; L935-L939 WeakPolarHBondContact O-CG 3.49Å; L935-L939 PolarHBondContact O-N 3.19Å; K936-L939 PolarHBondContact O-N 2.88Å; L939-G943 PolarHBondContact O-N 3.28Å; L939-L944 HydrophobicContact CD2-CB 3.79Å; L939-L944 HydrophobicContact CD2-CD1 4Å; L939-L944 PolarHBondContact O-N 3.43Å; L939-Y947 HydrophobicContact CD2-CD2 4.33Å; L939-L948 HydrophobicContact CB-CD1 4.39Å; L939-L948 HydrophobicContact CB-CD2 4.03Å; L939-L948 HydrophobicContact CB-CG 4.3Å; L939-L948 HydrophobicContact CD1-CD2 3.86Å
940L88.5Confident85.7Confident94 Ų94104.5 Ų104.549%0.49251%0.514SS..Hα-helixtrans-71.3-37.5172.7-75.7169.7000113K936 N937 R938 L948K936-L940 HydrophobicContact CG-CD1 4.3Å; K936-L940 VanDerWaalsContact O-CG 3.32Å; K936-L940 WeakPolarHBondContact O-CG 3.13Å; K936-L940 PolarHBondContact O-N 3.14Å; N937-L940 PolarHBondContact O-N 2.76Å; R938-L940 PolarHBondContact O-N 2.96Å; L940-L948 HydrophobicContact CD2-CD1 3.46Å; L940-L948 VanDerWaalsContact CD2-CD1 3.46Å; L940-L948 HydrophobicContact CG-CD1 3.66Å
941L89.5Confident83.2Confident150 Ų150110.1 Ų110.179%0.78556%0.555SS**Hα-helixtrans-71.3-40.1176.4-71.7167.2000112.1N937 R938 G943N937-L941 WeakPolarHBondContact O-CG 3.22Å; N937-L941 PolarHBondContact O-N 3.28Å; R938-L941 PolarHBondContact O-N 3.15Å; L941-G943 PolarHBondContact O-N 2.77Å
942D91Very high82.7Confident92 Ų92111 Ų11149%0.49256%0.561SS.*THydrogen-bonded Turntrans-73.8-4.7178.7-60-20.7000112.8R938 L944R938-D942 WeakPolarHBondContact CG-OD2 3.23Å; R938-D942 WeakPolarHBondContact O-CB 3.44Å; R938-D942 VanDerWaalsContact O-CG 3.22Å; R938-D942 PolarHBondContact O-N 3.03Å; D942-L944 HydrophobicContact CB-CB 4.37Å; D942-L944 HydrophobicContact CB-CD1 3.79Å; D942-L944 HydrophobicContact CB-CG 3.76Å; D942-L944 PolarHBondContact O-N 3.48Å
943G86.1Confident82.2Confident52 Ų52110.7 Ų110.754%0.53656%0.559SS.*THydrogen-bonded Turntrans71.88.5-176.100000114.6L939 L941 T945L939-G943 PolarHBondContact O-N 3.28Å; L941-G943 PolarHBondContact O-N 2.77Å; G943-T945 PolarHBondContact O-N 2.78Å
944L85.4Confident81.6Confident68 Ų68113.2 Ų113.236%0.35657%0.565SS.*  trans-79.646.5-172.7-67.8179.3000113.1L939 D942 Q946 Y947L939-L944 HydrophobicContact CD2-CB 3.79Å; L939-L944 HydrophobicContact CD2-CD1 4Å; L939-L944 PolarHBondContact O-N 3.43Å; D942-L944 HydrophobicContact CB-CB 4.37Å; D942-L944 HydrophobicContact CB-CD1 3.79Å; D942-L944 HydrophobicContact CB-CG 3.76Å; D942-L944 PolarHBondContact O-N 3.48Å; L944-Q946 PolarHBondContact O-N 2.77Å; L944-Q946 VanDerWaalsContact O-N 3.09Å; L944-Y947 HydrophobicContact CB-CD2 4.07Å; L944-Y947 HydrophobicContact CD2-CE2 4.43Å; L944-Y947 PolarHBondContact O-N 2.58Å; L944-Y947 VanDerWaalsContact O-N 3.14Å
945T81.1Confident81Confident93 Ų93112.4 Ų112.457%0.57157%0.57SS**G310 helixtrans-62-19.4-174.857.20000114.2G943 Y947 L948G943-T945 PolarHBondContact O-N 2.78Å; T945-Y947 PolarHBondContact O-N 3.4Å; T945-L948 WeakPolarHBondContact O-CB 3.49Å; T945-L948 PolarHBondContact O-N 3.4Å
946Q81.8Confident80.3Confident134 Ų134114.8 Ų114.863%0.62658%0.581SS**G310 helixtrans-60.9-24.2174.371.8-172.923.900113.8L944L944-Q946 PolarHBondContact O-N 2.77Å; L944-Q946 VanDerWaalsContact O-N 3.09Å
947Y79Confident79.6Confident155 Ų155114.3 Ų114.361%0.60859%0.585SS**G310 helixtrans-92.53.1175.7-57.9-79.8000113.4L939 L944 T945 E949L939-Y947 HydrophobicContact CD2-CD2 4.33Å; L944-Y947 HydrophobicContact CB-CD2 4.07Å; L944-Y947 HydrophobicContact CD2-CE2 4.43Å; L944-Y947 PolarHBondContact O-N 2.58Å; L944-Y947 VanDerWaalsContact O-N 3.14Å; T945-Y947 PolarHBondContact O-N 3.4Å; Y947-E949 VanDerWaalsContact C-N 3.33Å
948L78.3Confident78.8Confident59 Ų59116.4 Ų116.431%0.30959%0.594SS.*SBendtrans-102.435.6176.5-57.5176.9000110.6K936 L939 L940 T945 K950K936-L948 HydrophobicContact CG-CD2 4.14Å; L939-L948 HydrophobicContact CB-CD1 4.39Å; L939-L948 HydrophobicContact CB-CD2 4.03Å; L939-L948 HydrophobicContact CB-CG 4.3Å; L939-L948 HydrophobicContact CD1-CD2 3.86Å; L940-L948 HydrophobicContact CD2-CD1 3.46Å; L940-L948 VanDerWaalsContact CD2-CD1 3.46Å; L940-L948 HydrophobicContact CG-CD1 3.66Å; T945-L948 WeakPolarHBondContact O-CB 3.49Å; T945-L948 PolarHBondContact O-N 3.4Å; L948-K950 PolarHBondContact O-N 2.98Å
949E67.9Low77.9Confident150 Ų150113.8 Ų113.870%0.70160%0.596SS**  trans-75.5111-167.7-166.2169.9-148.300112.4Y947Y947-E949 VanDerWaalsContact C-N 3.33Å
950K52.1Low76.9Confident191 Ų191121.2 Ų121.283%0.8364%0.635SS**  trans39.582161.3-64.8176.8-175.9163.10116.6L948L948-K950 PolarHBondContact O-N 2.98Å
951V41.6Very low75.8Confident216 Ų216123.6 Ų123.6100%1.30965%0.648SS**  trans-115.20154.2-174.80000108.4

Retrieved 951 of 951 residues in 1190.3 ms (Link to these results)

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