A0A093HAQ9_STRCA Loading...

DNA ligase

AlphaFold DB , UniProt , Accession A0A093HAQ9, Species STRCA (Struthio camelus australis), Gene n/a, Length 913 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
1M37.7Very low37.2Very low249 Ų249132.5 Ų132.5100%1.22784%0.839SS**  0102.50-69.7-178.4-173.700107
2A32.3Very low39.3Very low104 Ų104135.7 Ų135.786%0.8683%0.831SS**PPolyproline II helixtrans-86.6125.4-178.200000109.2
3S33.9Very low42.6Very low116 Ų116135.9 Ų135.981%0.81181%0.813SS**PPolyproline II helixtrans-74.4121.3174.350.20000110.4
4T30.1Very low46.1Very low135 Ų135128.3 Ų128.383%0.82877%0.768SS**PPolyproline II helixtrans-58.5135.7173.2-7.60000111.1
5P39.8Very low49.3Very low119 Ų119119.7 Ų119.777%0.77372%0.717SS**PPolyproline II helixtrans-75.4135.6172.8-4.320.9000110.4S7P5-S7 PolarHBondContact O-N 2.97Å
6A36.8Very low52.2Low98 Ų98112.3 Ų112.381%0.8167%0.672SS**PPolyproline II helixtrans-56.6128170.800000110.8Q8A6-Q8 PolarHBondContact O-N 2.82Å
7S33.9Very low54.7Low115 Ų115107.1 Ų107.180%0.80464%0.643SS**PPolyproline II helixtrans-63.2117.5175.453.30000110.5P5P5-S7 PolarHBondContact O-N 2.97Å
8Q32.1Very low56.9Low177 Ų177106.7 Ų106.783%0.82763%0.633SS**PPolyproline II helixtrans-59.3140.3164-70.8-171.8-19.100109.6A6 S10A6-Q8 PolarHBondContact O-N 2.82Å; Q8-S10 PolarHBondContact O-N 2.8Å
9P37.3Very low59Low124 Ų124102.1 Ų102.181%0.80561%0.606SS**PPolyproline II helixtrans-62.6128.4174.525.1-31.1000109.6
10S42.9Very low60.9Low103 Ų10399.8 Ų99.872%0.7259%0.594SS**PPolyproline II helixtrans-56136.5174.250.70000110.5Q8 K12Q8-S10 PolarHBondContact O-N 2.8Å; S10-K12 PolarHBondContact O-N 2.99Å
11P52.6Low62.6Low117 Ų11795 Ų9576%0.7657%0.565SS**PPolyproline II helixtrans-57.9127.617822.7-31.2000109.6K13P11-K13 PolarHBondContact O-N 2.85Å
12K62.5Low65.3Low171 Ų17184.6 Ų84.674%0.74352%0.518SS*.PPolyproline II helixtrans-58.1120.4175.8-72.9-174.4176.7-174.20108S10 T14S10-K12 PolarHBondContact O-N 2.99Å; K12-T14 PolarHBondContact O-N 2.84Å
13K81.9Confident68.4Low139 Ų13983.5 Ų83.560%0.60450%0.498SS*.PPolyproline II helixtrans-74.9117.3179.2-66.6-177.9179.7-179.30108.5P11 L58 H59P11-K13 PolarHBondContact O-N 2.85Å; K13-L58 HydrophobicContact CB-CD1 4.26Å; K13-L58 HydrophobicContact CB-CD2 4.47Å; K13-H59 PolarHBondContact O-CE1 3.06Å
14T91.8Very high71.4Confident29 Ų2978 Ų7818%0.17846%0.46CS..PPolyproline II helixtrans-97.2156.5171.766.90000109.7K12 A16 S17 E151K12-T14 PolarHBondContact O-N 2.84Å; T14-A16 PolarHBondContact O-N 2.89Å; T14-S17 PolarHBondContact N-OG 3.37Å; T14-S17 WeakPolarHBondContact O-CB 3.24Å; T14-S17 PolarHBondContact O-N 2.75Å; T14-S17 PolarHBondContact O-OG 3.31Å; T14-S17 WeakPolarHBondContact OG1-CB 3.44Å; T14-S17 PolarHBondContact OG1-N 2.97Å; T14-E151 PolarHBondContact OG1-OE1 3.29Å
15V94.3Very high74.6Confident0 Ų071.7 Ų71.70%042%0.421CS..Hα-helixtrans-58.6-40.8170.6174.10000110.6S17 Q18 V19 W51 F54 H55 L58 D67V15-S17 PolarHBondContact O-N 2.68Å; V15-Q18 PolarHBondContact O-N 2.99Å; V15-V19 HydrophobicContact CG1-CG2 3.71Å; V15-V19 WeakPolarHBondContact O-CG2 3.16Å; V15-V19 PolarHBondContact O-N 2.78Å; V15-W51 HydrophobicContact CB-CZ2 3.84Å; V15-W51 HydrophobicContact CG1-CD2 3.54Å; V15-W51 HydrophobicContact CG1-CE3 3.97Å; V15-W51 HydrophobicContact CG1-CG 4.04Å; V15-W51 HydrophobicContact CG1-CH2 4Å; V15-W51 HydrophobicContact CG1-CZ2 3.57Å; V15-W51 HydrophobicContact CG1-CZ3 4.17Å; V15-F54 HydrophobicContact CB-CD1 4.21Å; V15-F54 HydrophobicContact CG1-CD1 3.69Å; V15-F54 HydrophobicContact CG1-CE1 4.26Å; V15-F54 HydrophobicContact CG2-CD1 3.88Å; V15-F54 HydrophobicContact CG2-CE1 4.36Å; V15-H55 HydrophobicContact CG2-CB 3.78Å; V15-L58 HydrophobicContact CG2-CD2 3.99Å; V15-D67 WeakPolarHBondContact CG2-OD2 3.26Å; V15-D67 PolarHBondContact N-OD2 3.22Å
16A95.3Very high77.2Confident1 Ų168.6 Ų68.61%0.00840%0.401CS..Hα-helixtrans-61.8-29179.300000113.5T14 Q18 W51 P71 I150 E151T14-A16 PolarHBondContact O-N 2.89Å; A16-Q18 VanDerWaalsContact C-N 3.26Å; A16-Q18 PolarHBondContact O-N 2.77Å; A16-W51 HydrophobicContact CB-CH2 3.98Å; A16-W51 HydrophobicContact CB-CZ2 4.37Å; A16-P71 HydrophobicContact CB-CB 3.63Å; A16-P71 HydrophobicContact CB-CG 3.79Å; A16-I150 HydrophobicContact CB-CB 4.46Å; A16-I150 HydrophobicContact CB-CG2 4.3Å; A16-I150 PolarHBondContact O-N 3.22Å; A16-E151 HydrophobicContact CB-CB 3.96Å; A16-E151 PolarHBondContact O-N 3.03Å; A16-E151 VanDerWaalsContact O-N 3.12Å
17S95.3Very high80Confident24 Ų2464.7 Ų64.717%0.16837%0.368CS..Hα-helixtrans-69.9-21174.278.80000113.4T14 V15 T149 E151T14-S17 PolarHBondContact N-OG 3.37Å; T14-S17 WeakPolarHBondContact O-CB 3.24Å; T14-S17 PolarHBondContact O-N 2.75Å; T14-S17 PolarHBondContact O-OG 3.31Å; T14-S17 WeakPolarHBondContact OG1-CB 3.44Å; T14-S17 PolarHBondContact OG1-N 2.97Å; V15-S17 PolarHBondContact O-N 2.68Å; S17-T149 WeakPolarHBondContact O-CG2 3.35Å; S17-E151 WeakPolarHBondContact CA-OE2 3.12Å; S17-E151 WeakPolarHBondContact CB-OE2 3.33Å
18Q94.5Very high83Confident100 Ų10059.3 Ų59.347%0.46733%0.33SS..Hα-helixtrans-105.2-24-176.3-58-56.7-53.400113V15 A16 P20 F54V15-Q18 PolarHBondContact O-N 2.99Å; A16-Q18 VanDerWaalsContact C-N 3.26Å; A16-Q18 PolarHBondContact O-N 2.77Å; Q18-P20 WeakPolarHBondContact O-CD 3.43Å; Q18-F54 HydrophobicContact CB-CE1 3.74Å; Q18-F54 HydrophobicContact CB-CZ 3.79Å; Q18-F54 HydrophobicContact CG-CE1 4.09Å; Q18-F54 HydrophobicContact CG-CZ 4.05Å
19V95.7Very high86.1Confident19 Ų1953 Ų5312%0.11530%0.3CS..SBendtrans-84.9118.3-178.6179.60000110.5V15 F47 W51 T149 I150V15-V19 HydrophobicContact CG1-CG2 3.71Å; V15-V19 WeakPolarHBondContact O-CG2 3.16Å; V15-V19 PolarHBondContact O-N 2.78Å; V19-F47 HydrophobicContact CG1-CE2 4.43Å; V19-F47 HydrophobicContact CG1-CZ 4.45Å; V19-W51 HydrophobicContact CB-CZ3 4.14Å; V19-W51 HydrophobicContact CG1-CZ3 4.24Å; V19-W51 HydrophobicContact CG2-CE3 4.14Å; V19-W51 HydrophobicContact CG2-CZ3 4.03Å; V19-T149 WeakPolarHBondContact O-CA 3.14Å; V19-I150 HydrophobicContact CB-CD1 4.06Å; V19-I150 HydrophobicContact CG1-CD1 3.56Å; V19-I150 HydrophobicContact CG1-CG1 4.47Å; V19-I150 PolarHBondContact O-N 2.98Å
20P96.4Very high88.8Confident56 Ų5653.6 Ų53.636%0.36429%0.286SS..BIsolated β-bridgetrans-59.8140173.4-22.433.8000112Q18 A22 D23Q18-P20 WeakPolarHBondContact O-CD 3.43Å; P20-A22 HydrophobicContact CB-CB 4.45Å; P20-A22 PolarHBondContact O-N 3.28Å; P20-D23 WeakPolarHBondContact CD-OD2 3.19Å; P20-D23 PolarHBondContact O-N 2.89Å; P20-D23 VanDerWaalsContact O-N 3.14Å
21F97.1Very high91.2Very high0 Ų048.7 Ų48.70%025%0.252CS..Hα-helixtrans-62.8-27.8174-179.5-115.6000112.5D23 L24 C25 L75 L148 I150 V153 E187 L191 M194F21-D23 VanDerWaalsContact C-N 3.26Å; F21-D23 PolarHBondContact O-N 3.05Å; F21-L24 HydrophobicContact CD2-CD2 4.28Å; F21-L24 HydrophobicContact CE2-CD2 4.13Å; F21-L24 PolarHBondContact O-N 2.96Å; F21-C25 WeakPolarHBondContact CE1-SG 2.93Å; F21-C25 WeakPolarHBondContact CZ-SG 3.36Å; F21-C25 PolarHBondContact O-N 3Å; F21-C25 PolarHBondContact O-SG 3.39Å; F21-C25 VanDerWaalsContact O-SG 3.36Å; F21-L75 HydrophobicContact CD2-CD1 4.45Å; F21-L75 HydrophobicContact CE2-CD1 4.13Å; F21-L148 VanDerWaalsContact CB-O 3.3Å; F21-L148 WeakPolarHBondContact CB-O 3.2Å; F21-L148 PolarHBondContact N-O 3.2Å; F21-I150 HydrophobicContact CD2-CG1 4.37Å; F21-V153 HydrophobicContact CB-CG2 3.91Å; F21-V153 HydrophobicContact CD1-CG2 3.99Å; F21-V153 HydrophobicContact CD2-CB 4.31Å; F21-V153 HydrophobicContact CD2-CG1 4.28Å; F21-V153 HydrophobicContact CD2-CG2 3.88Å; F21-V153 HydrophobicContact CE1-CG2 4.48Å; F21-V153 HydrophobicContact CE2-CG1 4.12Å; F21-V153 HydrophobicContact CE2-CG2 4.39Å; F21-V153 HydrophobicContact CG-CG2 3.65Å; F21-V153 HydrophobicContact CZ-CG1 4.47Å; F21-E187 HydrophobicContact CD1-CB 3.88Å; F21-E187 HydrophobicContact CD1-CG 3.76Å; F21-E187 HydrophobicContact CE1-CB 3.74Å; F21-E187 HydrophobicContact CE1-CG 4.04Å; F21-L191 HydrophobicContact CE1-CD1 4.1Å; F21-L191 HydrophobicContact CE1-CD2 3.75Å; F21-L191 HydrophobicContact CE1-CG 3.61Å; F21-L191 HydrophobicContact CE2-CD2 4.37Å; F21-L191 HydrophobicContact CZ-CD2 3.56Å; F21-L191 HydrophobicContact CZ-CG 3.76Å; F21-M194 HydrophobicContact CE2-CE 3.78Å; F21-M194 HydrophobicContact CE2-SD 3.84Å; F21-M194 HydrophobicContact CZ-CE 3.91Å; F21-M194 HydrophobicContact CZ-SD 3.78Å
22A95.7Very high93.1Very high29 Ų2945.2 Ų45.224%0.2423%0.226CC..Hα-helixtrans-55.2-39.3173.500000112.6P20 C25 C26 E187P20-A22 HydrophobicContact CB-CB 4.45Å; P20-A22 PolarHBondContact O-N 3.28Å; A22-C25 PolarHBondContact O-N 3.49Å; A22-C26 WeakPolarHBondContact O-CB 3.42Å; A22-C26 PolarHBondContact O-N 3.33Å; A22-C26 PolarHBondContact O-SG 3.13Å; A22-C26 VanDerWaalsContact O-SG 3.37Å; A22-E187 WeakPolarHBondContact CA-OE1 3.5Å; A22-E187 WeakPolarHBondContact CB-OE1 3.34Å; A22-E187 PolarHBondContact N-OE1 3.2Å
23D96Very high94.4Very high82 Ų8241.4 Ų41.444%0.43922%0.217SC..Hα-helixtrans-68.4-40.6-177.4-67.8-15.8000111.6P20 F21 C26 T27 F47P20-D23 WeakPolarHBondContact CD-OD2 3.19Å; P20-D23 PolarHBondContact O-N 2.89Å; P20-D23 VanDerWaalsContact O-N 3.14Å; F21-D23 VanDerWaalsContact C-N 3.26Å; F21-D23 PolarHBondContact O-N 3.05Å; D23-C26 PolarHBondContact O-N 2.76Å; D23-T27 PolarHBondContact O-N 3.11Å; D23-T27 PolarHBondContact O-OG1 3.3Å; D23-F47 HydrophobicContact CB-CE2 4.44Å
24L96.9Very high94.7Very high1 Ų135.9 Ų35.91%0.00520%0.196CC..Hα-helixtrans-61-48.1171177.360.5000110.5F21 C26 T27 L28 F47 L75 I76 I150 M194F21-L24 HydrophobicContact CD2-CD2 4.28Å; F21-L24 HydrophobicContact CE2-CD2 4.13Å; F21-L24 PolarHBondContact O-N 2.96Å; L24-C26 PolarHBondContact O-N 2.85Å; L24-T27 WeakPolarHBondContact O-CB 3.42Å; L24-T27 PolarHBondContact O-N 3.17Å; L24-L28 HydrophobicContact CD1-CD1 4.29Å; L24-L28 HydrophobicContact CD1-CG 4.22Å; L24-L28 HydrophobicContact CG-CD1 4.13Å; L24-L28 HydrophobicContact CG-CG 4.45Å; L24-L28 VanDerWaalsContact O-CG 3.3Å; L24-L28 WeakPolarHBondContact O-CG 3.19Å; L24-L28 PolarHBondContact O-N 3Å; L24-F47 HydrophobicContact CB-CE2 4.48Å; L24-F47 HydrophobicContact CB-CZ 4.19Å; L24-F47 HydrophobicContact CD1-CE1 4.01Å; L24-F47 HydrophobicContact CD1-CZ 4.08Å; L24-L75 HydrophobicContact CD2-CB 4.08Å; L24-L75 HydrophobicContact CD2-CD1 3.94Å; L24-I76 HydrophobicContact CD1-CD1 3.92Å; L24-I76 HydrophobicContact CD1-CG1 3.89Å; L24-I150 HydrophobicContact CB-CD1 4.03Å; L24-I150 HydrophobicContact CB-CG1 4.47Å; L24-I150 HydrophobicContact CD2-CD1 4.25Å; L24-I150 HydrophobicContact CD2-CG1 4.38Å; L24-M194 HydrophobicContact CD2-CE 4.23Å
25C96.9Very high94.4Very high1 Ų144.3 Ų44.31%0.00723%0.23CC..Hα-helixtrans-61.4-40.7179.5-70.80000113F21 A22 L28 E29 E187 W190F21-C25 WeakPolarHBondContact CE1-SG 2.93Å; F21-C25 WeakPolarHBondContact CZ-SG 3.36Å; F21-C25 PolarHBondContact O-N 3Å; F21-C25 PolarHBondContact O-SG 3.39Å; F21-C25 VanDerWaalsContact O-SG 3.36Å; A22-C25 PolarHBondContact O-N 3.49Å; C25-L28 PolarHBondContact O-N 3.08Å; C25-E29 WeakPolarHBondContact O-CB 3.12Å; C25-E29 PolarHBondContact O-N 3.33Å; C25-E187 HydrophobicContact CB-CG 4.14Å; C25-W190 HydrophobicContact CB-CG 4.39Å; C25-W190 PolarHBondContact O-NE1 3.11Å
26C95.4Very high94.1Very high54 Ų5446.3 Ų46.337%0.36524%0.244SC..Hα-helixtrans-63.6-40.6175.1-76.40000111.8A22 D23 L24 E29 R30A22-C26 WeakPolarHBondContact O-CB 3.42Å; A22-C26 PolarHBondContact O-N 3.33Å; A22-C26 PolarHBondContact O-SG 3.13Å; A22-C26 VanDerWaalsContact O-SG 3.37Å; D23-C26 PolarHBondContact O-N 2.76Å; L24-C26 PolarHBondContact O-N 2.85Å; C26-E29 PolarHBondContact O-N 3.38Å; C26-R30 WeakPolarHBondContact O-CG 3.43Å; C26-R30 PolarHBondContact O-N 2.89Å
27T96.2Very high93.7Very high17 Ų1753.5 Ų53.510%0.10427%0.271CS..Hα-helixtrans-61.8-48.8174.2-58.60000110.9D23 L24 E29 R30 M31 F47D23-T27 PolarHBondContact O-N 3.11Å; D23-T27 PolarHBondContact O-OG1 3.3Å; L24-T27 WeakPolarHBondContact O-CB 3.42Å; L24-T27 PolarHBondContact O-N 3.17Å; T27-E29 VanDerWaalsContact C-N 3.28Å; T27-E29 PolarHBondContact O-N 3.42Å; T27-R30 PolarHBondContact O-N 2.9Å; T27-M31 HydrophobicContact CG2-SD 4.25Å; T27-M31 VanDerWaalsContact O-CG 3.32Å; T27-M31 WeakPolarHBondContact O-CG 3.41Å; T27-M31 PolarHBondContact O-N 3.35Å; T27-F47 HydrophobicContact CG2-CB 3.78Å; T27-F47 HydrophobicContact CG2-CG 4.22Å
28L96.6Very high93.5Very high1 Ų157.1 Ų57.11%0.00529%0.294CS..Hα-helixtrans-61.8-35.8177.7-64.1176.7000112.1L24 C25 M31 Q32 I76 W190 M194 L199 L201L24-L28 HydrophobicContact CD1-CD1 4.29Å; L24-L28 HydrophobicContact CD1-CG 4.22Å; L24-L28 HydrophobicContact CG-CD1 4.13Å; L24-L28 HydrophobicContact CG-CG 4.45Å; L24-L28 VanDerWaalsContact O-CG 3.3Å; L24-L28 WeakPolarHBondContact O-CG 3.19Å; L24-L28 PolarHBondContact O-N 3Å; C25-L28 PolarHBondContact O-N 3.08Å; L28-M31 HydrophobicContact CD2-SD 4.42Å; L28-M31 PolarHBondContact O-N 2.9Å; L28-Q32 WeakPolarHBondContact O-CB 3.24Å; L28-Q32 PolarHBondContact O-N 3.17Å; L28-I76 HydrophobicContact CD2-CG1 4.4Å; L28-W190 HydrophobicContact CB-CD2 3.84Å; L28-W190 HydrophobicContact CB-CE3 3.98Å; L28-W190 HydrophobicContact CB-CH2 3.8Å; L28-W190 HydrophobicContact CB-CZ2 3.65Å; L28-W190 HydrophobicContact CB-CZ3 3.96Å; L28-W190 HydrophobicContact CD1-CD2 4.02Å; L28-W190 HydrophobicContact CD1-CE3 3.85Å; L28-W190 HydrophobicContact CD1-CG 4.39Å; L28-W190 HydrophobicContact CD1-CZ3 4.36Å; L28-W190 WeakPolarHBondContact O-CZ2 3.35Å; L28-M194 HydrophobicContact CD1-CE 3.69Å; L28-L199 HydrophobicContact CD1-CD2 4.02Å; L28-L199 HydrophobicContact CD2-CD2 4.12Å; L28-L201 HydrophobicContact CB-CD2 4.35Å; L28-L201 HydrophobicContact CD2-CD1 3.9Å; L28-L201 HydrophobicContact CD2-CD2 3.97Å
29E95.9Very high93.4Very high44 Ų4456.6 Ų56.621%0.20629%0.291CS..Hα-helixtrans-64.8-45.9175.2-164.265.1-169.200112.5C25 C26 T27 M31 Q32 T33 L186 K189 W190C25-E29 WeakPolarHBondContact O-CB 3.12Å; C25-E29 PolarHBondContact O-N 3.33Å; C26-E29 PolarHBondContact O-N 3.38Å; T27-E29 VanDerWaalsContact C-N 3.28Å; T27-E29 PolarHBondContact O-N 3.42Å; E29-M31 VanDerWaalsContact C-N 3.34Å; E29-Q32 PolarHBondContact O-N 3.03Å; E29-T33 HydrophobicContact CG-CG2 4.46Å; E29-T33 WeakPolarHBondContact O-CB 3.3Å; E29-T33 WeakPolarHBondContact O-CG2 3.28Å; E29-T33 PolarHBondContact O-N 3.18Å; E29-T33 PolarHBondContact O-OG1 3.31Å; E29-L186 HydrophobicContact CG-CD1 4.2Å; E29-L186 WeakPolarHBondContact OE2-CD1 3.41Å; E29-K189 IonicContact OE1-NZ 2.85Å; E29-K189 PolarHBondContact OE1-NZ 2.75Å; E29-K189 VanDerWaalsContact OE2-CE 3.25Å; E29-K189 WeakPolarHBondContact OE2-CE 3.44Å; E29-K189 IonicContact OE2-NZ 3.76Å; E29-K189 PolarHBondContact OE2-NZ 3.09Å; E29-W190 WeakPolarHBondContact OE2-CZ2 3.39Å; E29-W190 PolarHBondContact OE2-NE1 2.74Å; E29-W190 VanDerWaalsContact OE2-NE1 3.08Å
30R94.4Very high93.2Very high137 Ų13756.5 Ų56.552%0.51729%0.289SS..Hα-helixtrans-61.5-44.7175.3-70.3174.6-176.2-179.22.7110.9C26 T27 Q32 T33 C34 Y43C26-R30 WeakPolarHBondContact O-CG 3.43Å; C26-R30 PolarHBondContact O-N 2.89Å; T27-R30 PolarHBondContact O-N 2.9Å; R30-Q32 PolarHBondContact O-N 3.39Å; R30-T33 PolarHBondContact O-N 2.71Å; R30-T33 PolarHBondContact O-OG1 3.44Å; R30-C34 PolarHBondContact O-N 3.29Å; R30-C34 PolarHBondContact O-SG 2.68Å; R30-Y43 HydrophobicContact CB-CD1 4.26Å; R30-Y43 HydrophobicContact CB-CD2 3.92Å; R30-Y43 HydrophobicContact CB-CE1 4.44Å; R30-Y43 HydrophobicContact CB-CE2 4.14Å; R30-Y43 HydrophobicContact CB-CG 3.99Å
31M93.6Very high93Very high1 Ų155.7 Ų55.71%0.00528%0.283CS..Hα-helixtrans-60.4-42.6175.2-69.6178.173.300112.1T27 L28 E29 K40 F44 L201 V203 I208T27-M31 HydrophobicContact CG2-SD 4.25Å; T27-M31 VanDerWaalsContact O-CG 3.32Å; T27-M31 WeakPolarHBondContact O-CG 3.41Å; T27-M31 PolarHBondContact O-N 3.35Å; L28-M31 HydrophobicContact CD2-SD 4.42Å; L28-M31 PolarHBondContact O-N 2.9Å; E29-M31 VanDerWaalsContact C-N 3.34Å; M31-K40 WeakPolarHBondContact O-CD 3.32Å; M31-K40 WeakPolarHBondContact O-CE 3.21Å; M31-K40 VanDerWaalsContact O-CG 3.26Å; M31-K40 WeakPolarHBondContact O-CG 3.21Å; M31-K40 PolarHBondContact O-NZ 3.35Å; M31-F44 HydrophobicContact CE-CB 3.8Å; M31-F44 HydrophobicContact CE-CG 4.45Å; M31-F44 HydrophobicContact SD-CB 3.85Å; M31-L201 HydrophobicContact CE-CD1 4.27Å; M31-V203 HydrophobicContact CE-CG2 3.99Å; M31-I208 HydrophobicContact CE-CD1 4.15Å
32Q92.3Very high92.9Very high43 Ų4361.5 Ų61.520%0.20131%0.309CS..Hα-helixtrans-70.8-41.5-178.4177.6166.271.200112.9L28 E29 R30 W190 R193 K200L28-Q32 WeakPolarHBondContact O-CB 3.24Å; L28-Q32 PolarHBondContact O-N 3.17Å; E29-Q32 PolarHBondContact O-N 3.03Å; R30-Q32 PolarHBondContact O-N 3.39Å; Q32-W190 HydrophobicContact CB-CH2 3.97Å; Q32-W190 HydrophobicContact CB-CZ2 4.19Å; Q32-R193 VanDerWaalsContact NE2-CZ 3.35Å; Q32-K200 PolarHBondContact NE2-O 3.44Å
33T89.7Confident92.9Very high92 Ų9263 Ų6356%0.56431%0.309SS*.Hα-helixtrans-73.4-27.7-174.851.20000113.5E29 R30E29-T33 HydrophobicContact CG-CG2 4.46Å; E29-T33 WeakPolarHBondContact O-CB 3.3Å; E29-T33 WeakPolarHBondContact O-CG2 3.28Å; E29-T33 PolarHBondContact O-N 3.18Å; E29-T33 PolarHBondContact O-OG1 3.31Å; R30-T33 PolarHBondContact O-N 2.71Å; R30-T33 PolarHBondContact O-OG1 3.44Å
34C89.4Confident92.9Very high23 Ų2359.2 Ų59.216%0.15529%0.288CS..  trans-69.1143.6173.8-76.60000112.9R30 E39 K40 Y43R30-C34 PolarHBondContact O-N 3.29Å; R30-C34 PolarHBondContact O-SG 2.68Å; C34-E39 HydrophobicContact CB-CB 4.25Å; C34-K40 HydrophobicContact CB-CG 4.28Å; C34-K40 WeakPolarHBondContact O-CE 3.42Å; C34-K40 PolarHBondContact O-NZ 2.94Å; C34-Y43 VanDerWaalsContact SG-CE2 3.54Å
35K84.4Confident92.8Very high206 Ų20664.5 Ų64.590%0.89631%0.311SS*.  trans-89.6-36.3178.4-67.4-175.3-179.6178.90112.4
36S89Confident92.8Very high42 Ų4268.5 Ų68.529%0.29433%0.33SS..SBendtrans-82.4137-173.784.20000111.6E39 K40S36-E39 VanDerWaalsContact OG-CB 3.28Å; S36-E39 WeakPolarHBondContact OG-CB 3.2Å; S36-E39 WeakPolarHBondContact OG-CG 3.16Å; S36-E39 PolarHBondContact OG-N 2.82Å; S36-E39 PolarHBondContact OG-OE2 3.41Å; S36-K40 WeakPolarHBondContact O-CG 3.37Å; S36-K40 PolarHBondContact O-N 3.08Å
37R87.1Confident92.9Very high151 Ų15167 Ų6757%0.5732%0.317SS*.Hα-helixtrans-60.6-40.9175-173177.4177.5-170.9-3.9112.9E39 K40 T41 T207R37-E39 PolarHBondContact O-N 3.23Å; R37-K40 PolarHBondContact O-N 3.14Å; R37-T41 PolarHBondContact O-N 3.16Å; R37-T41 VanDerWaalsContact O-N 3.08Å; R37-T41 PolarHBondContact O-OG1 3.03Å; R37-T207 PolarHBondContact NH2-OG1 3.26Å
38P90.8Very high92.9Very high100 Ų10066.2 Ų66.265%0.64931%0.312SS*.Hα-helixtrans-60.6-41.4178.4-25.436000113.8T41 K42P38-T41 PolarHBondContact O-N 3.01Å; P38-K42 PolarHBondContact O-N 3.39Å
39E91.1Very high92.9Very high89 Ų8969.1 Ų69.142%0.41633%0.328SS..Hα-helixtrans-65.1-40.3177-71.8168.3150.300112C34 S36 R37 T41 K42 Y43C34-E39 HydrophobicContact CB-CB 4.25Å; S36-E39 VanDerWaalsContact OG-CB 3.28Å; S36-E39 WeakPolarHBondContact OG-CB 3.2Å; S36-E39 WeakPolarHBondContact OG-CG 3.16Å; S36-E39 PolarHBondContact OG-N 2.82Å; S36-E39 PolarHBondContact OG-OE2 3.41Å; R37-E39 PolarHBondContact O-N 3.23Å; E39-T41 VanDerWaalsContact C-N 3.32Å; E39-T41 PolarHBondContact O-N 3.28Å; E39-K42 WeakPolarHBondContact O-CB 3.45Å; E39-K42 PolarHBondContact O-N 3.27Å; E39-Y43 HydrophobicContact CB-CE2 4.35Å; E39-Y43 WeakPolarHBondContact O-CD2 3.44Å; E39-Y43 PolarHBondContact O-N 3.29Å
40K92.7Very high92.9Very high17 Ų1770 Ų707%0.07434%0.339CS..Hα-helixtrans-59.9-45.4175.8-63.2-180-172.2-93.70111.3M31 C34 S36 R37 K42 Y43 F44 L201 V203M31-K40 WeakPolarHBondContact O-CD 3.32Å; M31-K40 WeakPolarHBondContact O-CE 3.21Å; M31-K40 VanDerWaalsContact O-CG 3.26Å; M31-K40 WeakPolarHBondContact O-CG 3.21Å; M31-K40 PolarHBondContact O-NZ 3.35Å; C34-K40 HydrophobicContact CB-CG 4.28Å; C34-K40 WeakPolarHBondContact O-CE 3.42Å; C34-K40 PolarHBondContact O-NZ 2.94Å; S36-K40 WeakPolarHBondContact O-CG 3.37Å; S36-K40 PolarHBondContact O-N 3.08Å; R37-K40 PolarHBondContact O-N 3.14Å; K40-K42 VanDerWaalsContact C-N 3.32Å; K40-K42 PolarHBondContact O-N 3.03Å; K40-Y43 PolarHBondContact O-N 3.4Å; K40-F44 PolarHBondContact O-N 3.45Å; K40-L201 PolarHBondContact NZ-O 3.5Å; K40-V203 HydrophobicContact CB-CG1 3.82Å; K40-V203 HydrophobicContact CD-CG1 3.64Å; K40-V203 HydrophobicContact CG-CG1 4.39Å
41T92.4Very high93Very high39 Ų3963.7 Ų63.724%0.23932%0.315CS..Hα-helixtrans-60.7-41.5175.7-66.50000111.5R37 P38 E39 F44 K45 I211R37-T41 PolarHBondContact O-N 3.16Å; R37-T41 VanDerWaalsContact O-N 3.08Å; R37-T41 PolarHBondContact O-OG1 3.03Å; P38-T41 PolarHBondContact O-N 3.01Å; E39-T41 VanDerWaalsContact C-N 3.32Å; E39-T41 PolarHBondContact O-N 3.28Å; T41-F44 PolarHBondContact O-N 2.99Å; T41-K45 WeakPolarHBondContact O-CB 3.38Å; T41-K45 PolarHBondContact O-N 3.18Å; T41-I211 HydrophobicContact CG2-CD1 3.33Å; T41-I211 HydrophobicContact CG2-CG1 3.62Å
42K94.6Very high93.1Very high123 Ų12364.8 Ų64.854%0.53532%0.319SS..Hα-helixtrans-59.3-50.9177.4179.8-179.1170.8179.40112.1P38 E39 K40 F44 K45 E46P38-K42 PolarHBondContact O-N 3.39Å; E39-K42 WeakPolarHBondContact O-CB 3.45Å; E39-K42 PolarHBondContact O-N 3.27Å; K40-K42 VanDerWaalsContact C-N 3.32Å; K40-K42 PolarHBondContact O-N 3.03Å; K42-F44 VanDerWaalsContact C-N 3.34Å; K42-F44 PolarHBondContact O-N 3.25Å; K42-K45 PolarHBondContact O-N 2.94Å; K42-E46 WeakPolarHBondContact CE-OE1 3.29Å; K42-E46 HydrophobicContact CG-CG 4.49Å; K42-E46 WeakPolarHBondContact O-CG 3.44Å; K42-E46 PolarHBondContact O-N 3.43Å
43Y95Very high93.2Very high61 Ų6170.9 Ų70.924%0.23934%0.34CS..Hα-helixtrans-63.3-38.7-179.7-66.8-56.7000113.2R30 C34 E39 K40 E46 F47R30-Y43 HydrophobicContact CB-CD1 4.26Å; R30-Y43 HydrophobicContact CB-CD2 3.92Å; R30-Y43 HydrophobicContact CB-CE1 4.44Å; R30-Y43 HydrophobicContact CB-CE2 4.14Å; R30-Y43 HydrophobicContact CB-CG 3.99Å; C34-Y43 VanDerWaalsContact SG-CE2 3.54Å; E39-Y43 HydrophobicContact CB-CE2 4.35Å; E39-Y43 WeakPolarHBondContact O-CD2 3.44Å; E39-Y43 PolarHBondContact O-N 3.29Å; K40-Y43 PolarHBondContact O-N 3.4Å; Y43-E46 PolarHBondContact O-N 3.38Å; Y43-F47 PolarHBondContact O-N 2.88Å
44F95.9Very high93.5Very high1 Ų170.6 Ų70.60%0.00433%0.331CS..Hα-helixtrans-63.4-44.3174.3178-119.1000111.5M31 K40 T41 K42 F47 L48 F69 I76 I208 I211M31-F44 HydrophobicContact CE-CB 3.8Å; M31-F44 HydrophobicContact CE-CG 4.45Å; M31-F44 HydrophobicContact SD-CB 3.85Å; K40-F44 PolarHBondContact O-N 3.45Å; T41-F44 PolarHBondContact O-N 2.99Å; K42-F44 VanDerWaalsContact C-N 3.34Å; K42-F44 PolarHBondContact O-N 3.25Å; F44-F47 PolarHBondContact O-N 2.92Å; F44-L48 HydrophobicContact CE1-CD2 4.46Å; F44-L48 WeakPolarHBondContact O-CB 3.4Å; F44-L48 PolarHBondContact O-N 3Å; F44-F69 HydrophobicContact CE2-CE1 4.15Å; F44-F69 HydrophobicContact CE2-CZ 4.15Å; F44-F69 HydrophobicContact CZ-CE1 4.18Å; F44-I76 HydrophobicContact CD2-CD1 4.3Å; F44-I76 HydrophobicContact CE2-CD1 3.68Å; F44-I208 HydrophobicContact CD1-CD1 3.97Å; F44-I208 HydrophobicContact CE1-CD1 4.2Å; F44-I208 HydrophobicContact CE1-CG2 3.85Å; F44-I208 HydrophobicContact CE2-CG2 4.46Å; F44-I208 HydrophobicContact CG-CD1 4.15Å; F44-I208 HydrophobicContact CZ-CG2 3.74Å; F44-I211 HydrophobicContact CD1-CB 3.9Å; F44-I211 HydrophobicContact CD1-CD1 3.87Å; F44-I211 HydrophobicContact CD1-CG2 3.6Å; F44-I211 HydrophobicContact CE1-CB 3.96Å; F44-I211 HydrophobicContact CE1-CG2 3.86Å
45K95.5Very high93.7Very high112 Ų11270.1 Ų70.149%0.48733%0.327SS..Hα-helixtrans-61.7-43.4177.7-174.6174.7-179.9-179.70111.9T41 K42 F47 L48 D49 I211T41-K45 WeakPolarHBondContact O-CB 3.38Å; T41-K45 PolarHBondContact O-N 3.18Å; K42-K45 PolarHBondContact O-N 2.94Å; K45-F47 VanDerWaalsContact C-N 3.32Å; K45-F47 PolarHBondContact O-N 3.44Å; K45-L48 PolarHBondContact O-N 3.35Å; K45-D49 WeakPolarHBondContact CE-OD2 3.45Å; K45-D49 WeakPolarHBondContact CG-OD2 3.39Å; K45-D49 WeakPolarHBondContact O-CB 3.24Å; K45-D49 PolarHBondContact O-N 3.26Å; K45-I211 HydrophobicContact CB-CG2 4.06Å; K45-I211 HydrophobicContact CG-CG2 4.48Å
46E96.3Very high94Very high86 Ų8664.9 Ų64.940%0.40231%0.308SS..Hα-helixtrans-57.6-43.9176.2-74.6171.9-178.400112.3K42 Y43 S50K42-E46 WeakPolarHBondContact CE-OE1 3.29Å; K42-E46 HydrophobicContact CG-CG 4.49Å; K42-E46 WeakPolarHBondContact O-CG 3.44Å; K42-E46 PolarHBondContact O-N 3.43Å; Y43-E46 PolarHBondContact O-N 3.38Å; E46-S50 WeakPolarHBondContact O-CB 3.38Å; E46-S50 PolarHBondContact O-N 3.31Å
47F97.4Very high94.1Very high22 Ų2265.6 Ų65.610%0.09632%0.317CS..Hα-helixtrans-66-44.2176.4-179.3-98.5000112V19 D23 L24 T27 Y43 F44 K45 S50 W51 F69 A72 I150V19-F47 HydrophobicContact CG1-CE2 4.43Å; V19-F47 HydrophobicContact CG1-CZ 4.45Å; D23-F47 HydrophobicContact CB-CE2 4.44Å; L24-F47 HydrophobicContact CB-CE2 4.48Å; L24-F47 HydrophobicContact CB-CZ 4.19Å; L24-F47 HydrophobicContact CD1-CE1 4.01Å; L24-F47 HydrophobicContact CD1-CZ 4.08Å; T27-F47 HydrophobicContact CG2-CB 3.78Å; T27-F47 HydrophobicContact CG2-CG 4.22Å; Y43-F47 PolarHBondContact O-N 2.88Å; F44-F47 PolarHBondContact O-N 2.92Å; K45-F47 VanDerWaalsContact C-N 3.32Å; K45-F47 PolarHBondContact O-N 3.44Å; F47-S50 PolarHBondContact O-N 3.34Å; F47-W51 HydrophobicContact CE1-CE3 4.15Å; F47-W51 HydrophobicContact CZ-CE3 4.05Å; F47-W51 HydrophobicContact CZ-CZ3 4.31Å; F47-W51 PolarHBondContact O-N 3.38Å; F47-F69 HydrophobicContact CD1-CE2 4.07Å; F47-F69 HydrophobicContact CD1-CZ 4.03Å; F47-F69 AromaticContact CE1-CE2 3.75Å; F47-F69 HydrophobicContact CE1-CE2 3.75Å; F47-F69 AromaticContact CE1-CZ 3.9Å; F47-F69 HydrophobicContact CE1-CZ 3.9Å; F47-A72 HydrophobicContact CE1-CB 4.25Å; F47-I150 HydrophobicContact CZ-CD1 4.24Å
48L97Very high94.4Very high0 Ų060.9 Ų60.90%030%0.303CS..Hα-helixtrans-64.2-45.1178.2178.962.6000112.5F44 K45 S50 W51 R52 F69 F212F44-L48 HydrophobicContact CE1-CD2 4.46Å; F44-L48 WeakPolarHBondContact O-CB 3.4Å; F44-L48 PolarHBondContact O-N 3Å; K45-L48 PolarHBondContact O-N 3.35Å; L48-S50 VanDerWaalsContact C-N 3.29Å; L48-S50 PolarHBondContact O-N 2.95Å; L48-W51 WeakPolarHBondContact O-CB 3.19Å; L48-W51 PolarHBondContact O-N 2.76Å; L48-W51 VanDerWaalsContact O-N 3.15Å; L48-R52 PolarHBondContact O-N 3.09Å; L48-F69 HydrophobicContact CD1-CD1 3.97Å; L48-F69 HydrophobicContact CD1-CD2 3.84Å; L48-F69 HydrophobicContact CD1-CE1 4.04Å; L48-F69 HydrophobicContact CD1-CE2 3.9Å; L48-F69 HydrophobicContact CD1-CG 3.88Å; L48-F69 HydrophobicContact CD1-CZ 4Å; L48-F212 HydrophobicContact CD1-CD2 3.82Å; L48-F212 HydrophobicContact CD1-CE2 3.99Å; L48-F212 HydrophobicContact CD2-CB 4.47Å; L48-F212 HydrophobicContact CD2-CD2 3.95Å
49D96.2Very high94.3Very high62 Ų6256.9 Ų56.933%0.33228%0.276SS..Hα-helixtrans-67.5-32.9178.8-67.7-13.1000111K45 R53K45-D49 WeakPolarHBondContact CE-OD2 3.45Å; K45-D49 WeakPolarHBondContact CG-OD2 3.39Å; K45-D49 WeakPolarHBondContact O-CB 3.24Å; K45-D49 PolarHBondContact O-N 3.26Å; D49-R53 WeakPolarHBondContact O-CB 3.3Å; D49-R53 VanDerWaalsContact O-CG 3.3Å; D49-R53 WeakPolarHBondContact O-CG 3.38Å; D49-R53 PolarHBondContact O-N 2.82Å; D49-R53 PolarHBondContact O-NE 3.47Å
50S96.8Very high93.8Very high62 Ų6260.1 Ų60.143%0.43429%0.291SS..Hα-helixtrans-66.2-42169.9-166.10000112E46 F47 L48 F54E46-S50 WeakPolarHBondContact O-CB 3.38Å; E46-S50 PolarHBondContact O-N 3.31Å; F47-S50 PolarHBondContact O-N 3.34Å; L48-S50 VanDerWaalsContact C-N 3.29Å; L48-S50 PolarHBondContact O-N 2.95Å; S50-F54 WeakPolarHBondContact O-CB 3.38Å; S50-F54 PolarHBondContact O-N 2.85Å; S50-F54 VanDerWaalsContact O-N 3.11Å
51W96.9Very high93Very high6 Ų668.9 Ų68.92%0.02333%0.329CS..Hα-helixtrans-62.2-48.6177.3-173.2-70000111.8V15 A16 V19 F47 L48 F54 H55 F69 A72 I150V15-W51 HydrophobicContact CB-CZ2 3.84Å; V15-W51 HydrophobicContact CG1-CD2 3.54Å; V15-W51 HydrophobicContact CG1-CE3 3.97Å; V15-W51 HydrophobicContact CG1-CG 4.04Å; V15-W51 HydrophobicContact CG1-CH2 4Å; V15-W51 HydrophobicContact CG1-CZ2 3.57Å; V15-W51 HydrophobicContact CG1-CZ3 4.17Å; A16-W51 HydrophobicContact CB-CH2 3.98Å; A16-W51 HydrophobicContact CB-CZ2 4.37Å; V19-W51 HydrophobicContact CB-CZ3 4.14Å; V19-W51 HydrophobicContact CG1-CZ3 4.24Å; V19-W51 HydrophobicContact CG2-CE3 4.14Å; V19-W51 HydrophobicContact CG2-CZ3 4.03Å; F47-W51 HydrophobicContact CE1-CE3 4.15Å; F47-W51 HydrophobicContact CZ-CE3 4.05Å; F47-W51 HydrophobicContact CZ-CZ3 4.31Å; F47-W51 PolarHBondContact O-N 3.38Å; L48-W51 WeakPolarHBondContact O-CB 3.19Å; L48-W51 PolarHBondContact O-N 2.76Å; L48-W51 VanDerWaalsContact O-N 3.15Å; W51-F54 PolarHBondContact O-N 2.91Å; W51-H55 WeakPolarHBondContact O-CB 3.27Å; W51-H55 PolarHBondContact O-N 2.83Å; W51-F69 HydrophobicContact CB-CD2 4.04Å; W51-F69 HydrophobicContact CB-CE2 4.04Å; W51-F69 AromaticContact CD1-CD2 3.71Å; W51-F69 AromaticContact CD2-CD2 3.5Å; W51-F69 HydrophobicContact CD2-CD2 3.5Å; W51-F69 VanDerWaalsContact CD2-CD2 3.5Å; W51-F69 AromaticContact CD2-CE2 3.79Å; W51-F69 HydrophobicContact CD2-CE2 3.79Å; W51-F69 AromaticContact CE2-CD2 3.74Å; W51-F69 HydrophobicContact CE3-CD2 4.04Å; W51-F69 AromaticContact CE3-CE2 3.91Å; W51-F69 HydrophobicContact CE3-CE2 3.91Å; W51-F69 AromaticContact CG-CD2 3.48Å; W51-F69 HydrophobicContact CG-CD2 3.48Å; W51-F69 VanDerWaalsContact CG-CD2 3.48Å; W51-F69 AromaticContact CG-CE2 3.87Å; W51-F69 HydrophobicContact CG-CE2 3.87Å; W51-F69 HydrophobicContact CZ2-CD2 4.45Å; W51-F69 AromaticContact NE1-CD2 3.85Å; W51-A72 HydrophobicContact CE3-CB 4.33Å; W51-A72 HydrophobicContact CH2-CB 4Å; W51-A72 HydrophobicContact CZ3-CB 3.81Å; W51-I150 HydrophobicContact CH2-CD1 4.35Å; W51-I150 HydrophobicContact CZ3-CD1 3.72Å
52R95.1Very high92.5Very high24 Ų2471.8 Ų71.89%0.09134%0.339CS..Hα-helixtrans-59.7-48.9179.2-76.8176164.1147.8-2.6111.9L48 F54 H55 D56 F212 H234L48-R52 PolarHBondContact O-N 3.09Å; R52-F54 PolarHBondContact O-N 3.11Å; R52-H55 WeakPolarHBondContact O-CB 3.41Å; R52-H55 PolarHBondContact O-N 3.03Å; R52-H55 VanDerWaalsContact O-N 3.11Å; R52-D56 PolarHBondContact O-N 2.86Å; R52-F212 PolarHBondContact NH1-O 2.9Å; R52-F212 PolarHBondContact NH2-O 2.86Å; R52-H234 PolarHBondContact NE-O 3.36Å; R52-H234 VanDerWaalsContact NE-O 3.08Å; R52-H234 PolarHBondContact NH2-O 3.12Å; R52-H234 VanDerWaalsContact NH2-O 3.13Å
53R94.9Very high91.1Very high171 Ų17175.8 Ų75.865%0.64536%0.357SS*.Hα-helixtrans-58.1-37.4176-73.8-177.5-65.5161.40.2113D49 A57D49-R53 WeakPolarHBondContact O-CB 3.3Å; D49-R53 VanDerWaalsContact O-CG 3.3Å; D49-R53 WeakPolarHBondContact O-CG 3.38Å; D49-R53 PolarHBondContact O-N 2.82Å; D49-R53 PolarHBondContact O-NE 3.47Å; R53-A57 WeakPolarHBondContact O-CB 3.38Å; R53-A57 PolarHBondContact O-N 3.37Å; R53-A57 VanDerWaalsContact O-N 3.17Å
54F94.3Very high90.1Very high85 Ų8580.2 Ų80.237%0.37339%0.385SS..Hα-helixtrans-74.7-36.6177.6-173.4-99.1000112.3V15 Q18 S50 W51 R52 A57 L58V15-F54 HydrophobicContact CB-CD1 4.21Å; V15-F54 HydrophobicContact CG1-CD1 3.69Å; V15-F54 HydrophobicContact CG1-CE1 4.26Å; V15-F54 HydrophobicContact CG2-CD1 3.88Å; V15-F54 HydrophobicContact CG2-CE1 4.36Å; Q18-F54 HydrophobicContact CB-CE1 3.74Å; Q18-F54 HydrophobicContact CB-CZ 3.79Å; Q18-F54 HydrophobicContact CG-CE1 4.09Å; Q18-F54 HydrophobicContact CG-CZ 4.05Å; S50-F54 WeakPolarHBondContact O-CB 3.38Å; S50-F54 PolarHBondContact O-N 2.85Å; S50-F54 VanDerWaalsContact O-N 3.11Å; W51-F54 PolarHBondContact O-N 2.91Å; R52-F54 PolarHBondContact O-N 3.11Å; F54-A57 PolarHBondContact O-N 3.36Å; F54-L58 HydrophobicContact CE1-CD2 4.24Å; F54-L58 VanDerWaalsContact O-CB 3.3Å; F54-L58 WeakPolarHBondContact O-CB 3.45Å; F54-L58 PolarHBondContact O-N 3.2Å
55H93.9Very high89.6Confident14 Ų1482.3 Ų82.37%0.06540%0.397CS..Hα-helixtrans-58.6-51.2171.8177.8-81.3000111.1V15 W51 R52 A57 L58 H59 D67 H234V15-H55 HydrophobicContact CG2-CB 3.78Å; W51-H55 WeakPolarHBondContact O-CB 3.27Å; W51-H55 PolarHBondContact O-N 2.83Å; R52-H55 WeakPolarHBondContact O-CB 3.41Å; R52-H55 PolarHBondContact O-N 3.03Å; R52-H55 VanDerWaalsContact O-N 3.11Å; H55-A57 VanDerWaalsContact C-N 3.27Å; H55-A57 PolarHBondContact O-N 3.49Å; H55-L58 PolarHBondContact O-N 3.06Å; H55-L58 VanDerWaalsContact O-N 3.11Å; H55-H59 AromaticContact CD2-CD2 3.64Å; H55-H59 AromaticContact CG-CD2 3.95Å; H55-H59 AromaticContact NE2-CD2 3.73Å; H55-H59 PolarHBondContact O-CD2 3.47Å; H55-H59 PolarHBondContact O-N 3.19Å; H55-D67 PolarHBondContact NE2-O 3.24Å; H55-H234 AromaticContact CD2-CE1 3.63Å; H55-H234 AromaticContact CE1-CE1 3.42Å; H55-H234 PolarHBondContact CE1-CE1 3.22Å; H55-H234 VanDerWaalsContact CE1-CE1 3.42Å; H55-H234 AromaticContact CE1-NE2 3.38Å; H55-H234 PolarHBondContact CE1-NE2 2.94Å; H55-H234 AromaticContact CG-CE1 3.46Å; H55-H234 VanDerWaalsContact CG-CE1 3.46Å; H55-H234 AromaticContact CG-NE2 3.76Å; H55-H234 AromaticContact ND1-CE1 3.36Å; H55-H234 PolarHBondContact ND1-CE1 3.2Å; H55-H234 AromaticContact ND1-NE2 3.2Å; H55-H234 PolarHBondContact ND1-NE2 3.36Å; H55-H234 VanDerWaalsContact ND1-NE2 3.2Å; H55-H234 AromaticContact NE2-CE1 3.58Å
56D91.5Very high89.3Confident95 Ų9581.8 Ų81.851%0.50840%0.404SS..Hα-helixtrans-56.8-43.4177.3-67-34.6000111R52 Q60R52-D56 PolarHBondContact O-N 2.86Å; D56-Q60 WeakPolarHBondContact O-CG 3.3Å; D56-Q60 PolarHBondContact O-N 2.97Å
57A91.6Very high89.1Confident58 Ų5878.7 Ų78.748%0.47939%0.39SS..Hα-helixtrans-68.2-35.5178.800000113.5R53 F54 H55R53-A57 WeakPolarHBondContact O-CB 3.38Å; R53-A57 PolarHBondContact O-N 3.37Å; R53-A57 VanDerWaalsContact O-N 3.17Å; F54-A57 PolarHBondContact O-N 3.36Å; H55-A57 VanDerWaalsContact C-N 3.27Å; H55-A57 PolarHBondContact O-N 3.49Å
58L91.7Very high88.9Confident52 Ų5277.9 Ų77.927%0.27239%0.387SS..Hα-helixtrans-74.4-38.3-178.6-174.762.8000111.8K13 V15 F54 H55K13-L58 HydrophobicContact CB-CD1 4.26Å; K13-L58 HydrophobicContact CB-CD2 4.47Å; V15-L58 HydrophobicContact CG2-CD2 3.99Å; F54-L58 HydrophobicContact CE1-CD2 4.24Å; F54-L58 VanDerWaalsContact O-CB 3.3Å; F54-L58 WeakPolarHBondContact O-CB 3.45Å; F54-L58 PolarHBondContact O-N 3.2Å; H55-L58 PolarHBondContact O-N 3.06Å; H55-L58 VanDerWaalsContact O-N 3.11Å
59H89.4Confident89Confident16 Ų1678 Ų787%0.07439%0.388CS..Hα-helixtrans-10613.9-170.5-62.2-71.6000115.3K13 H55 K61 E62 V65 D67K13-H59 PolarHBondContact O-CE1 3.06Å; H55-H59 AromaticContact CD2-CD2 3.64Å; H55-H59 AromaticContact CG-CD2 3.95Å; H55-H59 AromaticContact NE2-CD2 3.73Å; H55-H59 PolarHBondContact O-CD2 3.47Å; H55-H59 PolarHBondContact O-N 3.19Å; H59-K61 PolarHBondContact O-N 3.28Å; H59-E62 IonicContact CE1-OE2 3.68Å; H59-E62 IonicContact CG-OE2 3.13Å; H59-E62 IonicContact ND1-OE2 3.59Å; H59-E62 PolarHBondContact ND1-OE2 3.2Å; H59-E62 PolarHBondContact O-N 2.86Å; H59-V65 HydrophobicContact CB-CG1 4.22Å; H59-V65 HydrophobicContact CB-CG2 3.67Å; H59-D67 IonicContact NE2-OD2 3.93Å; H59-D67 PolarHBondContact NE2-OD2 3.32Å
60Q80.6Confident89Confident157 Ų15775.9 Ų75.973%0.73438%0.376SS*.THydrogen-bonded Turntrans-48.7-24-177.8-64.8-173.2-14.300115.9D56D56-Q60 WeakPolarHBondContact O-CG 3.3Å; D56-Q60 PolarHBondContact O-N 2.97Å
61K76.9Confident89Confident200 Ų20074.1 Ų74.187%0.8736%0.363SS*.THydrogen-bonded Turntrans-108.4-2.1-175.2-62.7-177.5-179.11790114H59H59-K61 PolarHBondContact O-N 3.28Å
62E81.8Confident89.1Confident100 Ų10073.9 Ų73.947%0.46736%0.362SS..  trans-103131.8-176.5-67.4-176.517000110.2H59 V65H59-E62 IonicContact CE1-OE2 3.68Å; H59-E62 IonicContact CG-OE2 3.13Å; H59-E62 IonicContact ND1-OE2 3.59Å; H59-E62 PolarHBondContact ND1-OE2 3.2Å; H59-E62 PolarHBondContact O-N 2.86Å; E62-V65 HydrophobicContact CB-CG2 3.61Å
63K64.9Low89.2Confident208 Ų20872.7 Ų72.790%0.90436%0.358SS*.SBendtrans-89.2-32.6-178.1-70-174.4176.8-176.80113.6
64D74.6Confident89.2Confident153 Ų15365.1 Ų65.182%0.81833%0.329SS*.SBendtrans-119.277.3-177.7-70.6-36.7000110.8
65V85.1Confident89.4Confident45 Ų4561.2 Ų61.227%0.27331%0.312SS..  trans-91.3117.6-178.4-177.10000109.5H59 E62 D67H59-V65 HydrophobicContact CB-CG1 4.22Å; H59-V65 HydrophobicContact CB-CG2 3.67Å; E62-V65 HydrophobicContact CB-CG2 3.61Å; V65-D67 HydrophobicContact CG1-CB 3.86Å
66T87.6Confident89.5Confident101 Ų10160.8 Ų60.862%0.6231%0.31SS*.  trans-90.6-10.6172.7570000112.7
67D92.8Very high89.8Confident21 Ų2156.6 Ų56.611%0.11229%0.287CS..  trans-65.9139.5178.4-168.928.7000111.3V15 H55 H59 V65V15-D67 WeakPolarHBondContact CG2-OD2 3.26Å; V15-D67 PolarHBondContact N-OD2 3.22Å; H55-D67 PolarHBondContact NE2-O 3.24Å; H59-D67 IonicContact NE2-OD2 3.93Å; H59-D67 PolarHBondContact NE2-OD2 3.32Å; V65-D67 HydrophobicContact CG1-CB 3.86Å
68S94.6Very high90Very high5 Ų554 Ų544%0.03527%0.266CS..  trans-152.5-179.3-173.773.70000111.4H70 P71S68-H70 PolarHBondContact O-N 3.11Å; S68-H70 VanDerWaalsContact OG-CB 3.3Å; S68-H70 WeakPolarHBondContact OG-CB 3.34Å; S68-H70 PolarHBondContact OG-N 3.18Å; S68-P71 VanDerWaalsContact O-CD 3.3Å; S68-P71 WeakPolarHBondContact O-CD 3.49Å
69F97.2Very high90Very high3 Ų355 Ų551%0.01327%0.269CS..SBendtrans-73.1-0174.8-166.6-112.4000113.5F44 F47 L48 W51 A72 M73 I76 F212F44-F69 HydrophobicContact CE2-CE1 4.15Å; F44-F69 HydrophobicContact CE2-CZ 4.15Å; F44-F69 HydrophobicContact CZ-CE1 4.18Å; F47-F69 HydrophobicContact CD1-CE2 4.07Å; F47-F69 HydrophobicContact CD1-CZ 4.03Å; F47-F69 AromaticContact CE1-CE2 3.75Å; F47-F69 HydrophobicContact CE1-CE2 3.75Å; F47-F69 AromaticContact CE1-CZ 3.9Å; F47-F69 HydrophobicContact CE1-CZ 3.9Å; L48-F69 HydrophobicContact CD1-CD1 3.97Å; L48-F69 HydrophobicContact CD1-CD2 3.84Å; L48-F69 HydrophobicContact CD1-CE1 4.04Å; L48-F69 HydrophobicContact CD1-CE2 3.9Å; L48-F69 HydrophobicContact CD1-CG 3.88Å; L48-F69 HydrophobicContact CD1-CZ 4Å; W51-F69 HydrophobicContact CB-CD2 4.04Å; W51-F69 HydrophobicContact CB-CE2 4.04Å; W51-F69 AromaticContact CD1-CD2 3.71Å; W51-F69 AromaticContact CD2-CD2 3.5Å; W51-F69 HydrophobicContact CD2-CD2 3.5Å; W51-F69 VanDerWaalsContact CD2-CD2 3.5Å; W51-F69 AromaticContact CD2-CE2 3.79Å; W51-F69 HydrophobicContact CD2-CE2 3.79Å; W51-F69 AromaticContact CE2-CD2 3.74Å; W51-F69 HydrophobicContact CE3-CD2 4.04Å; W51-F69 AromaticContact CE3-CE2 3.91Å; W51-F69 HydrophobicContact CE3-CE2 3.91Å; W51-F69 AromaticContact CG-CD2 3.48Å; W51-F69 HydrophobicContact CG-CD2 3.48Å; W51-F69 VanDerWaalsContact CG-CD2 3.48Å; W51-F69 AromaticContact CG-CE2 3.87Å; W51-F69 HydrophobicContact CG-CE2 3.87Å; W51-F69 HydrophobicContact CZ2-CD2 4.45Å; W51-F69 AromaticContact NE1-CD2 3.85Å; F69-A72 HydrophobicContact CD2-CB 4.11Å; F69-A72 HydrophobicContact CE1-CB 4.29Å; F69-A72 HydrophobicContact CE2-CB 3.7Å; F69-A72 HydrophobicContact CZ-CB 3.8Å; F69-A72 PolarHBondContact O-N 3.13Å; F69-M73 HydrophobicContact CD1-CB 3.88Å; F69-M73 HydrophobicContact CD1-CE 3.91Å; F69-M73 HydrophobicContact CE1-CB 4.21Å; F69-M73 HydrophobicContact CE1-CE 4.04Å; F69-M73 HydrophobicContact CE1-SD 4.39Å; F69-M73 WeakPolarHBondContact O-CB 3.48Å; F69-M73 PolarHBondContact O-N 3.08Å; F69-I76 HydrophobicContact CE1-CD1 4.2Å; F69-I76 HydrophobicContact CZ-CD1 4.05Å; F69-F212 HydrophobicContact CB-CE2 3.8Å; F69-F212 HydrophobicContact CB-CZ 4.4Å; F69-F212 HydrophobicContact CD1-CD2 4.04Å; F69-F212 AromaticContact CD1-CE2 3.83Å; F69-F212 HydrophobicContact CD1-CE2 3.83Å; F69-F212 HydrophobicContact CG-CE2 4.08Å
70H97.1Very high90.2Very high18 Ų1854.8 Ų54.88%0.08327%0.268CS..Hα-helixtrans-52.1-47-175.8175.5-121.2000114.3S68 A72 M73 R74 E83 E227 C230S68-H70 PolarHBondContact O-N 3.11Å; S68-H70 VanDerWaalsContact OG-CB 3.3Å; S68-H70 WeakPolarHBondContact OG-CB 3.34Å; S68-H70 PolarHBondContact OG-N 3.18Å; H70-A72 PolarHBondContact O-N 3.07Å; H70-M73 PolarHBondContact O-N 3.29Å; H70-M73 VanDerWaalsContact O-N 3.14Å; H70-R74 WeakPolarHBondContact O-CG 3.49Å; H70-R74 PolarHBondContact O-N 2.86Å; H70-E83 IonicContact CE1-OE2 3.31Å; H70-E227 HydrophobicContact CB-CB 4.47Å; H70-E227 HydrophobicContact CB-CG 4.31Å; H70-E227 PolarHBondContact CD2-N 3.34Å; H70-C230 HydrophobicContact CB-CB 3.96Å
71P97.3Very high90.7Very high25 Ų2547.5 Ų47.516%0.16223%0.234CC..Hα-helixtrans-60.4-31.6-177.9-26.237.5000113.9A16 S68 L75 I150 N154A16-P71 HydrophobicContact CB-CB 3.63Å; A16-P71 HydrophobicContact CB-CG 3.79Å; S68-P71 VanDerWaalsContact O-CD 3.3Å; S68-P71 WeakPolarHBondContact O-CD 3.49Å; P71-L75 WeakPolarHBondContact O-CG 3.35Å; P71-I150 HydrophobicContact CB-CG2 3.95Å; P71-N154 PolarHBondContact O-ND2 3.45Å
72A97.6Very high91.3Very high0 Ų040.9 Ų40.90%020%0.204CC..Hα-helixtrans-82.2-45.4172.800000111.3F47 W51 F69 H70 R74 L75 I76F47-A72 HydrophobicContact CE1-CB 4.25Å; W51-A72 HydrophobicContact CE3-CB 4.33Å; W51-A72 HydrophobicContact CH2-CB 4Å; W51-A72 HydrophobicContact CZ3-CB 3.81Å; F69-A72 HydrophobicContact CD2-CB 4.11Å; F69-A72 HydrophobicContact CE1-CB 4.29Å; F69-A72 HydrophobicContact CE2-CB 3.7Å; F69-A72 HydrophobicContact CZ-CB 3.8Å; F69-A72 PolarHBondContact O-N 3.13Å; H70-A72 PolarHBondContact O-N 3.07Å; A72-R74 VanDerWaalsContact C-N 3.31Å; A72-R74 PolarHBondContact O-N 3.36Å; A72-L75 WeakPolarHBondContact O-CB 3.44Å; A72-L75 PolarHBondContact O-N 2.7Å; A72-I76 WeakPolarHBondContact O-CG1 3.36Å; A72-I76 PolarHBondContact O-N 3.11Å
73M97.4Very high91.7Very high0 Ų041.9 Ų41.90%021%0.208CC..Hα-helixtrans-57.7-41.6-177.8-171.662.58900112.5F69 H70 L75 I76 L77 I208 F212 L226F69-M73 HydrophobicContact CD1-CB 3.88Å; F69-M73 HydrophobicContact CD1-CE 3.91Å; F69-M73 HydrophobicContact CE1-CB 4.21Å; F69-M73 HydrophobicContact CE1-CE 4.04Å; F69-M73 HydrophobicContact CE1-SD 4.39Å; F69-M73 WeakPolarHBondContact O-CB 3.48Å; F69-M73 PolarHBondContact O-N 3.08Å; H70-M73 PolarHBondContact O-N 3.29Å; H70-M73 VanDerWaalsContact O-N 3.14Å; M73-L75 PolarHBondContact O-N 3.4Å; M73-I76 PolarHBondContact O-N 3.5Å; M73-I76 VanDerWaalsContact O-N 3.15Å; M73-L77 HydrophobicContact CG-CD1 4.46Å; M73-L77 PolarHBondContact O-N 2.87Å; M73-L77 HydrophobicContact SD-CD1 3.68Å; M73-L77 HydrophobicContact SD-CG 4.16Å; M73-I208 HydrophobicContact CE-CG2 4.26Å; M73-I208 HydrophobicContact SD-CG2 3.92Å; M73-F212 HydrophobicContact CE-CB 3.9Å; M73-F212 HydrophobicContact CE-CD1 4.25Å; M73-F212 HydrophobicContact CE-CD2 3.63Å; M73-F212 HydrophobicContact CE-CE2 4.26Å; M73-F212 HydrophobicContact CE-CG 3.64Å; M73-L226 HydrophobicContact CG-CD1 4.4Å; M73-L226 HydrophobicContact CG-CD2 4.24Å
74R96.6Very high92.8Very high12 Ų1232.5 Ų32.55%0.04517%0.167CC..Hα-helixtrans-66.1-24178.272.1-171.6-58-169.63.8113.7H70 A72 P78 E81 E83 R84 N154 D158 L226H70-R74 WeakPolarHBondContact O-CG 3.49Å; H70-R74 PolarHBondContact O-N 2.86Å; A72-R74 VanDerWaalsContact C-N 3.31Å; A72-R74 PolarHBondContact O-N 3.36Å; R74-P78 VanDerWaalsContact O-CA 3.26Å; R74-P78 WeakPolarHBondContact O-CA 3.19Å; R74-E81 IonicContact CZ-OE1 2.71Å; R74-E81 IonicContact CZ-OE2 3.69Å; R74-E81 VanDerWaalsContact CZ-OE2 3.28Å; R74-E81 IonicContact NE-OE1 2.73Å; R74-E81 IonicContact NE-OE2 2.78Å; R74-E81 PolarHBondContact NE-OE2 3.27Å; R74-E81 IonicContact NH2-OE1 2.86Å; R74-E81 PolarHBondContact NH2-OE1 3.38Å; R74-E81 IonicContact NH2-OE2 3.55Å; R74-E81 PolarHBondContact NH2-OE2 3.48Å; R74-E83 IonicContact CZ-OE2 2.81Å; R74-E83 IonicContact NH1-OE2 3.65Å; R74-E83 PolarHBondContact NH1-OE2 2.78Å; R74-E83 IonicContact NH2-OE2 3.78Å; R74-E83 PolarHBondContact NH2-OE2 3.39Å; R74-R84 VanDerWaalsContact NH2-NE 3.19Å; R74-N154 WeakPolarHBondContact CD-OD1 3.29Å; R74-D158 IonicContact NH1-OD1 2.67Å; R74-L226 HydrophobicContact CB-CD1 4.39Å
75L97.3Very high93.4Very high2 Ų230.9 Ų30.91%0.0116%0.157CC..Hα-helixtrans-85.4-28.9173.4-61.1-180000112.4F21 L24 P71 A72 M73 P78 I150 V153 L157 M194F21-L75 HydrophobicContact CD2-CD1 4.45Å; F21-L75 HydrophobicContact CE2-CD1 4.13Å; L24-L75 HydrophobicContact CD2-CB 4.08Å; L24-L75 HydrophobicContact CD2-CD1 3.94Å; P71-L75 WeakPolarHBondContact O-CG 3.35Å; A72-L75 WeakPolarHBondContact O-CB 3.44Å; A72-L75 PolarHBondContact O-N 2.7Å; M73-L75 PolarHBondContact O-N 3.4Å; L75-P78 WeakPolarHBondContact O-CD 3.32Å; L75-I150 HydrophobicContact CD1-CG2 4.07Å; L75-V153 HydrophobicContact CD1-CG1 4.24Å; L75-L157 HydrophobicContact CD2-CD1 3.65Å; L75-M194 HydrophobicContact CB-CE 3.93Å; L75-M194 HydrophobicContact CB-CG 4.5Å; L75-M194 HydrophobicContact CB-SD 3.97Å; L75-M194 HydrophobicContact CD1-SD 4.43Å; L75-M194 HydrophobicContact CD2-SD 4.03Å; L75-M194 HydrophobicContact CG-SD 4.37Å
76I97.1Very high93.6Very high5 Ų532 Ų323%0.02617%0.17CC..Hα-helixtrans-77.2-36.3176.3-63.8171.6000111.1L24 L28 F44 F69 A72 M73 P78 L199 I208L24-I76 HydrophobicContact CD1-CD1 3.92Å; L24-I76 HydrophobicContact CD1-CG1 3.89Å; L28-I76 HydrophobicContact CD2-CG1 4.4Å; F44-I76 HydrophobicContact CD2-CD1 4.3Å; F44-I76 HydrophobicContact CE2-CD1 3.68Å; F69-I76 HydrophobicContact CE1-CD1 4.2Å; F69-I76 HydrophobicContact CZ-CD1 4.05Å; A72-I76 WeakPolarHBondContact O-CG1 3.36Å; A72-I76 PolarHBondContact O-N 3.11Å; M73-I76 PolarHBondContact O-N 3.5Å; M73-I76 VanDerWaalsContact O-N 3.15Å; I76-P78 WeakPolarHBondContact O-CD 3.37Å; I76-L199 WeakPolarHBondContact O-CD2 3.46Å; I76-I208 HydrophobicContact CG2-CG2 4.41Å
77L96.3Very high93.7Very high7 Ų727.7 Ų27.74%0.03714%0.143CC..SBendtrans-119.758179.1-59.5177.7000111.7M73 Q79 L80 Q205 I208 F209 L226M73-L77 HydrophobicContact CG-CD1 4.46Å; M73-L77 PolarHBondContact O-N 2.87Å; M73-L77 HydrophobicContact SD-CD1 3.68Å; M73-L77 HydrophobicContact SD-CG 4.16Å; L77-Q79 PolarHBondContact O-N 3.13Å; L77-Q79 VanDerWaalsContact O-N 3.12Å; L77-L80 HydrophobicContact CB-CB 4.35Å; L77-L80 HydrophobicContact CB-CD1 4.13Å; L77-L80 HydrophobicContact CB-CG 4.25Å; L77-L80 HydrophobicContact CD1-CD1 3.97Å; L77-L80 WeakPolarHBondContact O-CB 3.49Å; L77-L80 PolarHBondContact O-N 3.18Å; L77-Q205 HydrophobicContact CD2-CB 4.01Å; L77-I208 HydrophobicContact CD1-CB 4.41Å; L77-I208 HydrophobicContact CD1-CG2 3.95Å; L77-I208 HydrophobicContact CD2-CB 4.36Å; L77-I208 HydrophobicContact CD2-CG1 4.27Å; L77-I208 HydrophobicContact CD2-CG2 4.38Å; L77-I208 HydrophobicContact CG-CG2 4.28Å; L77-F209 HydrophobicContact CD1-CE1 4.07Å; L77-F209 HydrophobicContact CD1-CZ 4.09Å; L77-L226 HydrophobicContact CB-CD1 4.41Å
78P95.4Very high93.5Very high4 Ų429 Ų293%0.02616%0.161CC..G310 helixtrans-67-18.1-172.532.6-40.6000113.9R74 L75 I76 L80 E81 K197 L199R74-P78 VanDerWaalsContact O-CA 3.26Å; R74-P78 WeakPolarHBondContact O-CA 3.19Å; L75-P78 WeakPolarHBondContact O-CD 3.32Å; I76-P78 WeakPolarHBondContact O-CD 3.37Å; P78-L80 PolarHBondContact O-N 3.48Å; P78-E81 WeakPolarHBondContact O-CB 3.3Å; P78-E81 PolarHBondContact O-N 2.82Å; P78-K197 HydrophobicContact CB-CB 4.26Å; P78-K197 HydrophobicContact CB-CG 4.16Å; P78-K197 HydrophobicContact CG-CB 4.29Å; P78-K197 VanDerWaalsContact O-CD 3.29Å; P78-K197 WeakPolarHBondContact O-CD 3.45Å; P78-L199 VanDerWaalsContact CD-CD1 3.45Å; P78-L199 HydrophobicContact CG-CD1 3.29Å
79Q92.1Very high93.2Very high73 Ų7329.4 Ų29.434%0.34116%0.162SC..G310 helixtrans-67.8-21.3171.573-76.70.800113L77 R82L77-Q79 PolarHBondContact O-N 3.13Å; L77-Q79 VanDerWaalsContact O-N 3.12Å; Q79-R82 PolarHBondContact O-NH1 3.3Å
80L93.7Very high92.7Very high11 Ų1136.6 Ų36.66%0.05819%0.194CC..G310 helixtrans-94.50.8177.7-57.4-171.2000112.6L77 P78 R82 F209 Y220 L226L77-L80 HydrophobicContact CB-CB 4.35Å; L77-L80 HydrophobicContact CB-CD1 4.13Å; L77-L80 HydrophobicContact CB-CG 4.25Å; L77-L80 HydrophobicContact CD1-CD1 3.97Å; L77-L80 WeakPolarHBondContact O-CB 3.49Å; L77-L80 PolarHBondContact O-N 3.18Å; P78-L80 PolarHBondContact O-N 3.48Å; L80-R82 PolarHBondContact O-N 3.2Å; L80-F209 HydrophobicContact CD1-CE2 3.86Å; L80-F209 HydrophobicContact CD1-CZ 3.59Å; L80-Y220 HydrophobicContact CB-CE2 4.27Å; L80-Y220 WeakPolarHBondContact CB-OH 3.44Å; L80-Y220 HydrophobicContact CD1-CD1 4.5Å; L80-Y220 HydrophobicContact CD1-CE1 3.92Å; L80-Y220 HydrophobicContact CD1-CE2 4.25Å; L80-Y220 HydrophobicContact CD2-CE1 3.95Å; L80-Y220 WeakPolarHBondContact CD2-OH 3.42Å; L80-Y220 HydrophobicContact CG-CE1 4.39Å; L80-L226 HydrophobicContact CB-CD1 3.86Å; L80-L226 HydrophobicContact CB-CD2 4.22Å; L80-L226 HydrophobicContact CB-CG 4.07Å; L80-L226 HydrophobicContact CD1-CD2 4.17Å
81E92.2Very high92.4Very high5 Ų537.4 Ų37.42%0.02320%0.198CC..  trans-61127.2173.517862.2-109.100111.5R74 P78 E83 R84R74-E81 IonicContact CZ-OE1 2.71Å; R74-E81 IonicContact CZ-OE2 3.69Å; R74-E81 VanDerWaalsContact CZ-OE2 3.28Å; R74-E81 IonicContact NE-OE1 2.73Å; R74-E81 IonicContact NE-OE2 2.78Å; R74-E81 PolarHBondContact NE-OE2 3.27Å; R74-E81 IonicContact NH2-OE1 2.86Å; R74-E81 PolarHBondContact NH2-OE1 3.38Å; R74-E81 IonicContact NH2-OE2 3.55Å; R74-E81 PolarHBondContact NH2-OE2 3.48Å; P78-E81 WeakPolarHBondContact O-CB 3.3Å; P78-E81 PolarHBondContact O-N 2.82Å; E81-E83 PolarHBondContact OE1-N 3.01Å; E81-E83 VanDerWaalsContact OE1-N 3.08Å; E81-R84 HydrophobicContact CG-CB 3.76Å; E81-R84 PolarHBondContact OE1-N 2.93Å; E81-R84 IonicContact OE2-CZ 3.59Å; E81-R84 IonicContact OE2-NE 2.68Å; E81-R84 PolarHBondContact OE2-NE 3.05Å; E81-R84 IonicContact OE2-NH2 3.53Å; E81-R84 PolarHBondContact OE2-NH2 3.25Å; E81-R84 VanDerWaalsContact OE2-NH2 3.08Å
82R89.3Confident92Very high61 Ų6139.8 Ų39.823%0.2321%0.212CC..  trans-129.5-23.5179.2-66.6-62.1175.7-80.2-4.2114.2Q79 L80 T224 N299Q79-R82 PolarHBondContact O-NH1 3.3Å; L80-R82 PolarHBondContact O-N 3.2Å; R82-T224 HydrophobicContact CG-CG2 4.41Å; R82-N299 VanDerWaalsContact CZ-O 3.23Å; R82-N299 PolarHBondContact NE-O 2.95Å; R82-N299 PolarHBondContact NH2-O 2.97Å
83E88.7Confident91.6Very high120 Ų12042.7 Ų42.756%0.56123%0.226SC*.SBendtrans-71.8-43.3177.5-174.5-164.9-175.800110.3H70 R74 E81H70-E83 IonicContact CE1-OE2 3.31Å; R74-E83 IonicContact CZ-OE2 2.81Å; R74-E83 IonicContact NH1-OE2 3.65Å; R74-E83 PolarHBondContact NH1-OE2 2.78Å; R74-E83 IonicContact NH2-OE2 3.78Å; R74-E83 PolarHBondContact NH2-OE2 3.39Å; E81-E83 PolarHBondContact OE1-N 3.01Å; E81-E83 VanDerWaalsContact OE1-N 3.08Å
84R89.7Confident91.2Very high11 Ų1142.8 Ų42.84%0.04223%0.227CC..SBendtrans-80.3128.2174.6-82.9179.4-84.5-130.715112.6R74 E81 Y87 N154 D158 A161R74-R84 VanDerWaalsContact NH2-NE 3.19Å; E81-R84 HydrophobicContact CG-CB 3.76Å; E81-R84 PolarHBondContact OE1-N 2.93Å; E81-R84 IonicContact OE2-CZ 3.59Å; E81-R84 IonicContact OE2-NE 2.68Å; E81-R84 PolarHBondContact OE2-NE 3.05Å; E81-R84 IonicContact OE2-NH2 3.53Å; E81-R84 PolarHBondContact OE2-NH2 3.25Å; E81-R84 VanDerWaalsContact OE2-NH2 3.08Å; R84-Y87 WeakPolarHBondContact CD-OH 3.48Å; R84-Y87 PolarHBondContact NE-OH 2.95Å; R84-N154 VanDerWaalsContact CZ-OD1 3.28Å; R84-N154 PolarHBondContact NH1-O 3.39Å; R84-N154 PolarHBondContact NH1-OD1 2.66Å; R84-N154 PolarHBondContact NH2-OD1 2.69Å; R84-D158 WeakPolarHBondContact CD-OD1 3.25Å; R84-D158 WeakPolarHBondContact CG-OD1 3.33Å; R84-D158 IonicContact CZ-OD1 3.04Å; R84-D158 IonicContact NE-OD1 3.2Å; R84-D158 PolarHBondContact NE-OD1 3.37Å; R84-D158 IonicContact NH1-OD1 3.43Å; R84-D158 PolarHBondContact NH1-OD1 2.95Å; R84-A161 HydrophobicContact CB-CB 4.33Å; R84-A161 HydrophobicContact CG-CB 4.36Å
85M86.9Confident91Very high120 Ų12042.2 Ų42.259%0.59122%0.224SC*.PPolyproline II helixtrans-62.1168166.8-63.5-61.2-87.700112Y87 A161M85-Y87 PolarHBondContact O-N 2.89Å; M85-A161 WeakPolarHBondContact O-CB 3.36Å
86A89.4Confident90.6Very high67 Ų6748.3 Ų48.355%0.55425%0.251SS*.PPolyproline II helixtrans-61.9134.3179.400000111.4G88 N164A86-G88 PolarHBondContact O-N 2.88Å; A86-N164 PolarHBondContact O-ND2 3.42Å
87Y89.6Confident90Very high11 Ų1148.6 Ų48.64%0.04325%0.252CS..  trans-66.2-22.3177.4-57.2-60.7000113.5R84 M85 I89 L157 I160 A161 N164 I195R84-Y87 WeakPolarHBondContact CD-OH 3.48Å; R84-Y87 PolarHBondContact NE-OH 2.95Å; M85-Y87 PolarHBondContact O-N 2.89Å; Y87-I89 WeakPolarHBondContact O-CG1 3.5Å; Y87-I89 PolarHBondContact O-N 3.01Å; Y87-L157 HydrophobicContact CE1-CB 4.05Å; Y87-L157 HydrophobicContact CE1-CD2 4.14Å; Y87-L157 WeakPolarHBondContact CE1-O 3.47Å; Y87-I160 HydrophobicContact CD1-CB 4.34Å; Y87-I160 HydrophobicContact CD1-CG2 3.82Å; Y87-I160 HydrophobicContact CG-CG2 4.37Å; Y87-A161 HydrophobicContact CD1-CB 3.95Å; Y87-A161 HydrophobicContact CE1-CB 4.08Å; Y87-N164 WeakPolarHBondContact O-CB 3.47Å; Y87-N164 VanDerWaalsContact O-CG 3.26Å; Y87-I195 HydrophobicContact CD2-CB 4.49Å; Y87-I195 HydrophobicContact CD2-CG2 4.15Å
88G87.3Confident89.6Confident48 Ų4848.5 Ų48.550%0.49525%0.252SS..  trans69.311.6-173.900000113.9A86 N164A86-G88 PolarHBondContact O-N 2.88Å; G88-N164 PolarHBondContact N-ND2 3.19Å
89I88.1Confident89.3Confident14 Ų1449.2 Ų49.27%0.07226%0.255CS..  trans-102.7131.8-176-51.7-171000110Y87 M93 L94 I160 L172 L176 I195Y87-I89 WeakPolarHBondContact O-CG1 3.5Å; Y87-I89 PolarHBondContact O-N 3.01Å; I89-M93 HydrophobicContact CB-CE 4.29Å; I89-M93 HydrophobicContact CD1-CE 4.02Å; I89-M93 HydrophobicContact CG1-CE 3.61Å; I89-M93 HydrophobicContact CG1-SD 4.4Å; I89-M93 HydrophobicContact CG2-CE 4.22Å; I89-M93 HydrophobicContact CG2-SD 4.49Å; I89-L94 HydrophobicContact CG2-CD1 4.03Å; I89-L94 HydrophobicContact CG2-CD2 3.64Å; I89-L94 HydrophobicContact CG2-CG 3.47Å; I89-L94 VanDerWaalsContact CG2-CG 3.47Å; I89-I160 HydrophobicContact CD1-CG2 3.69Å; I89-I160 HydrophobicContact CG1-CG2 4.47Å; I89-L172 HydrophobicContact CD1-CD2 4.11Å; I89-L176 HydrophobicContact CD1-CD2 4.23Å; I89-I195 HydrophobicContact CB-CG2 3.83Å; I89-I195 HydrophobicContact CD1-CG2 4.32Å; I89-I195 HydrophobicContact CG2-CG2 3.98Å
90K88.3Confident88.9Confident154 Ų15451 Ų5167%0.6726%0.264SS*.  trans-124.7170.3170.3-67.6-170.9177.7-179.90110.5T92 M93 L94K90-T92 VanDerWaalsContact C-N 3.29Å; K90-T92 PolarHBondContact O-N 2.72Å; K90-M93 WeakPolarHBondContact O-CB 3.26Å; K90-M93 PolarHBondContact O-N 3.22Å; K90-L94 PolarHBondContact O-N 3.22Å
91E90.6Very high88.2Confident35 Ų3553.4 Ų53.416%0.16428%0.276CS..Hα-helixtrans-53.4-43.4-177.6-58.592.2145.800112M93 L94 A95 Y117 F130 I196E91-M93 VanDerWaalsContact C-N 3.31Å; E91-M93 PolarHBondContact O-N 3.44Å; E91-L94 PolarHBondContact O-N 3.1Å; E91-A95 WeakPolarHBondContact O-CB 3.23Å; E91-A95 PolarHBondContact O-N 3Å; E91-Y117 HydrophobicContact CB-CD1 4.32Å; E91-Y117 HydrophobicContact CB-CE1 3.74Å; E91-Y117 HydrophobicContact CG-CE1 4.17Å; E91-Y117 PolarHBondContact OE1-OH 3.06Å; E91-F130 HydrophobicContact CB-CB 4.22Å; E91-F130 HydrophobicContact CB-CD1 4.15Å; E91-F130 HydrophobicContact CB-CD2 4.11Å; E91-F130 HydrophobicContact CB-CG 3.88Å; E91-F130 HydrophobicContact CG-CB 3.85Å; E91-F130 HydrophobicContact CG-CD1 4.14Å; E91-F130 HydrophobicContact CG-CG 3.96Å; E91-I196 HydrophobicContact CG-CD1 4.03Å
92T89Confident87.6Confident76 Ų7655.3 Ų55.347%0.46629%0.286SS..Hα-helixtrans-63.2-35178.1-490000113K90 K96K90-T92 VanDerWaalsContact C-N 3.29Å; K90-T92 PolarHBondContact O-N 2.72Å; T92-K96 WeakPolarHBondContact O-CG 3.38Å; T92-K96 PolarHBondContact O-N 2.63Å
93M87.8Confident87.3Confident61 Ų6159.2 Ų59.230%0.331%0.312SS..Hα-helixtrans-73-43.6177-179.3176.6137.900110.6I89 K90 E91 A95 K96 L97 L172I89-M93 HydrophobicContact CB-CE 4.29Å; I89-M93 HydrophobicContact CD1-CE 4.02Å; I89-M93 HydrophobicContact CG1-CE 3.61Å; I89-M93 HydrophobicContact CG1-SD 4.4Å; I89-M93 HydrophobicContact CG2-CE 4.22Å; I89-M93 HydrophobicContact CG2-SD 4.49Å; K90-M93 WeakPolarHBondContact O-CB 3.26Å; K90-M93 PolarHBondContact O-N 3.22Å; E91-M93 VanDerWaalsContact C-N 3.31Å; E91-M93 PolarHBondContact O-N 3.44Å; M93-A95 VanDerWaalsContact C-N 3.32Å; M93-A95 PolarHBondContact O-N 2.92Å; M93-K96 PolarHBondContact O-N 3.08Å; M93-L97 HydrophobicContact CE-CD1 3.89Å; M93-L97 HydrophobicContact CG-CD1 4.03Å; M93-L97 VanDerWaalsContact O-CG 3.3Å; M93-L97 WeakPolarHBondContact O-CG 3.38Å; M93-L97 PolarHBondContact O-N 2.86Å; M93-L172 HydrophobicContact CE-CD2 3.47Å; M93-L172 VanDerWaalsContact CE-CD2 3.47Å
94L90.4Very high87.2Confident1 Ų154 Ų541%0.00529%0.288CS..Hα-helixtrans-59.2-43.2173.4-71.3170.9000111.5I89 K90 E91 K96 L97 Y98 F130 L176 I192 I196I89-L94 HydrophobicContact CG2-CD1 4.03Å; I89-L94 HydrophobicContact CG2-CD2 3.64Å; I89-L94 HydrophobicContact CG2-CG 3.47Å; I89-L94 VanDerWaalsContact CG2-CG 3.47Å; K90-L94 PolarHBondContact O-N 3.22Å; E91-L94 PolarHBondContact O-N 3.1Å; L94-K96 PolarHBondContact O-N 2.52Å; L94-L97 PolarHBondContact O-N 3.15Å; L94-Y98 HydrophobicContact CB-CD2 4.44Å; L94-Y98 HydrophobicContact CB-CE2 4.5Å; L94-Y98 WeakPolarHBondContact O-CD2 3.11Å; L94-Y98 PolarHBondContact O-N 3.39Å; L94-F130 HydrophobicContact CB-CE1 3.54Å; L94-F130 HydrophobicContact CB-CZ 3.66Å; L94-F130 HydrophobicContact CD1-CD1 4.45Å; L94-F130 HydrophobicContact CD1-CE1 3.87Å; L94-F130 HydrophobicContact CG-CE1 4.35Å; L94-L176 HydrophobicContact CD2-CD2 3.89Å; L94-I192 HydrophobicContact CD1-CG1 4.44Å; L94-I192 HydrophobicContact CD1-CG2 4.09Å; L94-I196 HydrophobicContact CD1-CD1 4.22Å; L94-I196 HydrophobicContact CD1-CG1 4.41Å
95A91.3Very high87Confident0 Ų058 Ų580%032%0.315CS..Hα-helixtrans-56.6-50.7176.600000111.6E91 M93 L97 Y98 I99 L114 L115 F130E91-A95 WeakPolarHBondContact O-CB 3.23Å; E91-A95 PolarHBondContact O-N 3Å; M93-A95 VanDerWaalsContact C-N 3.32Å; M93-A95 PolarHBondContact O-N 2.92Å; A95-L97 VanDerWaalsContact C-N 3.31Å; A95-L97 PolarHBondContact O-N 3Å; A95-Y98 PolarHBondContact O-N 3.03Å; A95-I99 WeakPolarHBondContact O-CD1 3.34Å; A95-I99 WeakPolarHBondContact O-CG1 3.28Å; A95-I99 PolarHBondContact O-N 2.55Å; A95-L114 HydrophobicContact CB-CB 3.92Å; A95-L114 WeakPolarHBondContact CB-O 3.37Å; A95-L115 HydrophobicContact CB-CD2 4.01Å; A95-F130 HydrophobicContact CB-CE2 3.89Å; A95-F130 HydrophobicContact CB-CZ 4.22Å
96K89.1Confident86.7Confident131 Ų13160.7 Ų60.757%0.5732%0.323SS*.Hα-helixtrans-60.1-41.1177.6-72.7177.3-179.7-176.50112.1T92 M93 L94 I99 E100 L115T92-K96 WeakPolarHBondContact O-CG 3.38Å; T92-K96 PolarHBondContact O-N 2.63Å; M93-K96 PolarHBondContact O-N 3.08Å; L94-K96 PolarHBondContact O-N 2.52Å; K96-I99 PolarHBondContact O-N 2.71Å; K96-E100 WeakPolarHBondContact O-CB 3.5Å; K96-E100 PolarHBondContact O-N 2.97Å; K96-L115 HydrophobicContact CG-CD2 4.04Å
97L85.1Confident86.5Confident10 Ų1065.3 Ų65.35%0.05234%0.339CS..Hα-helixtrans-67.4-45.7178.2-70170.7000111.6M93 L94 A95 I99 E100 L101 K173 L176M93-L97 HydrophobicContact CE-CD1 3.89Å; M93-L97 HydrophobicContact CG-CD1 4.03Å; M93-L97 VanDerWaalsContact O-CG 3.3Å; M93-L97 WeakPolarHBondContact O-CG 3.38Å; M93-L97 PolarHBondContact O-N 2.86Å; L94-L97 PolarHBondContact O-N 3.15Å; A95-L97 VanDerWaalsContact C-N 3.31Å; A95-L97 PolarHBondContact O-N 3Å; L97-I99 VanDerWaalsContact C-N 3.29Å; L97-I99 PolarHBondContact O-N 3.06Å; L97-E100 PolarHBondContact O-N 3.25Å; L97-L101 VanDerWaalsContact O-CB 3.32Å; L97-L101 WeakPolarHBondContact O-CB 3.31Å; L97-L101 WeakPolarHBondContact O-CG 3.32Å; L97-L101 PolarHBondContact O-N 3.23Å; L97-K173 HydrophobicContact CD2-CD 3.78Å; L97-K173 HydrophobicContact CD2-CG 3.76Å; L97-L176 HydrophobicContact CD1-CD2 3.36Å
98Y87.8Confident86.3Confident6 Ų665.8 Ų65.82%0.02435%0.346CS..Hα-helixtrans-61.2-37.8175.4-82.4-62.7000112.6L94 A95 L102 F130 L138 I180 Q188 I192L94-Y98 HydrophobicContact CB-CD2 4.44Å; L94-Y98 HydrophobicContact CB-CE2 4.5Å; L94-Y98 WeakPolarHBondContact O-CD2 3.11Å; L94-Y98 PolarHBondContact O-N 3.39Å; A95-Y98 PolarHBondContact O-N 3.03Å; Y98-L102 HydrophobicContact CD1-CD1 4.24Å; Y98-L102 VanDerWaalsContact O-CB 3.23Å; Y98-L102 WeakPolarHBondContact O-CB 3.45Å; Y98-L102 VanDerWaalsContact O-CG 3.29Å; Y98-L102 WeakPolarHBondContact O-CG 2.99Å; Y98-L102 PolarHBondContact O-N 2.94Å; Y98-F130 HydrophobicContact CD2-CZ 4.49Å; Y98-L138 HydrophobicContact CD1-CD2 3.91Å; Y98-L138 HydrophobicContact CE1-CD1 3.92Å; Y98-L138 HydrophobicContact CE1-CD2 3.79Å; Y98-L138 HydrophobicContact CE1-CG 4.42Å; Y98-I180 HydrophobicContact CD1-CD1 4.27Å; Y98-I180 HydrophobicContact CE1-CD1 3.69Å; Y98-I180 HydrophobicContact CE1-CG1 3.93Å; Y98-I180 HydrophobicContact CE1-CG2 3.94Å; Y98-Q188 VanDerWaalsContact CE1-OE1 3.24Å; Y98-Q188 PolarHBondContact OH-OE1 3.48Å; Y98-I192 HydrophobicContact CE2-CD1 3.74Å; Y98-I192 HydrophobicContact CE2-CG1 4.17Å
99I88.6Confident86.3Confident19 Ų1972 Ų7210%0.09736%0.36CS..Hα-helixtrans-63-45.9175.3-69.3162.3000110.9A95 K96 L97 N103 L104 A111 L114 L115A95-I99 WeakPolarHBondContact O-CD1 3.34Å; A95-I99 WeakPolarHBondContact O-CG1 3.28Å; A95-I99 PolarHBondContact O-N 2.55Å; K96-I99 PolarHBondContact O-N 2.71Å; L97-I99 VanDerWaalsContact C-N 3.29Å; L97-I99 PolarHBondContact O-N 3.06Å; I99-N103 WeakPolarHBondContact O-CA 3.3Å; I99-N103 PolarHBondContact O-N 2.97Å; I99-L104 HydrophobicContact CG1-CD1 4.3Å; I99-L104 HydrophobicContact CG2-CB 4.34Å; I99-L104 PolarHBondContact O-N 2.88Å; I99-A111 HydrophobicContact CD1-CB 3.75Å; I99-A111 HydrophobicContact CG1-CB 3.81Å; I99-A111 HydrophobicContact CG2-CB 4.37Å; I99-L114 HydrophobicContact CG1-CD1 4.19Å; I99-L115 HydrophobicContact CD1-CD1 3.89Å; I99-L115 HydrophobicContact CD1-CD2 4.16Å; I99-L115 HydrophobicContact CD1-CG 3.74Å
100E84.6Confident86.2Confident111 Ų11173.4 Ų73.452%0.51937%0.368SS..Hα-helixtrans-63.3-47.4177.6-172.7179.2176.900111.3K96 L97 N103 K173K96-E100 WeakPolarHBondContact O-CB 3.5Å; K96-E100 PolarHBondContact O-N 2.97Å; L97-E100 PolarHBondContact O-N 3.25Å; E100-N103 PolarHBondContact O-N 3.47Å; E100-K173 IonicContact OE1-NZ 2.74Å; E100-K173 PolarHBondContact OE1-NZ 2.84Å; E100-K173 IonicContact OE2-NZ 2.67Å; E100-K173 PolarHBondContact OE2-NZ 3.27Å
101L78.4Confident86.2Confident61 Ų6166.1 Ų66.132%0.31934%0.336SS..Hα-helixtrans-74.3-39.6-173.5-68.2179.3000114L97 N103 L177 I180L97-L101 VanDerWaalsContact O-CB 3.32Å; L97-L101 WeakPolarHBondContact O-CB 3.31Å; L97-L101 WeakPolarHBondContact O-CG 3.32Å; L97-L101 PolarHBondContact O-N 3.23Å; L101-N103 PolarHBondContact O-N 3.18Å; L101-L177 HydrophobicContact CD1-CD1 3.76Å; L101-L177 HydrophobicContact CD2-CD1 3.39Å; L101-L177 HydrophobicContact CD2-CD2 4.14Å; L101-L177 HydrophobicContact CD2-CG 4.21Å; L101-L177 HydrophobicContact CG-CD1 4.07Å; L101-I180 HydrophobicContact CD1-CD1 3.56Å; L101-I180 HydrophobicContact CD1-CG2 4.47Å
102L79.9Confident86Confident44 Ų4466.5 Ų66.523%0.2335%0.345CS..THydrogen-bonded Turntrans-84.71.7177-59172000111.9Y98 L104 V137 L138Y98-L102 HydrophobicContact CD1-CD1 4.24Å; Y98-L102 VanDerWaalsContact O-CB 3.23Å; Y98-L102 WeakPolarHBondContact O-CB 3.45Å; Y98-L102 VanDerWaalsContact O-CG 3.29Å; Y98-L102 WeakPolarHBondContact O-CG 2.99Å; Y98-L102 PolarHBondContact O-N 2.94Å; L102-L104 HydrophobicContact CB-CD1 4.46Å; L102-L104 HydrophobicContact CB-CD2 3.95Å; L102-L104 HydrophobicContact CB-CG 3.84Å; L102-L104 HydrophobicContact CD1-CD1 4.29Å; L102-L104 PolarHBondContact O-N 2.92Å; L102-V137 HydrophobicContact CD1-CG1 4.41Å; L102-L138 HydrophobicContact CD1-CD2 3.66Å; L102-L138 HydrophobicContact CD2-CD2 4.15Å; L102-L138 HydrophobicContact CG-CD2 4.42Å
103N82.9Confident85.9Confident144 Ų14467 Ų6777%0.7734%0.341SS*.THydrogen-bonded Turntrans4747.1-174.2-165.829.6000112.1I99 E100 L101I99-N103 WeakPolarHBondContact O-CA 3.3Å; I99-N103 PolarHBondContact O-N 2.97Å; E100-N103 PolarHBondContact O-N 3.47Å; L101-N103 PolarHBondContact O-N 3.18Å
104L85.6Confident86Confident11 Ų1164.1 Ų64.16%0.05833%0.327CS..  trans-72140.4179.1-58.9178.9000109.4I99 L102 K106 D110 A111 L114 V137I99-L104 HydrophobicContact CG1-CD1 4.3Å; I99-L104 HydrophobicContact CG2-CB 4.34Å; I99-L104 PolarHBondContact O-N 2.88Å; L102-L104 HydrophobicContact CB-CD1 4.46Å; L102-L104 HydrophobicContact CB-CD2 3.95Å; L102-L104 HydrophobicContact CB-CG 3.84Å; L102-L104 HydrophobicContact CD1-CD1 4.29Å; L102-L104 PolarHBondContact O-N 2.92Å; L104-K106 PolarHBondContact O-N 3.24Å; L104-D110 HydrophobicContact CD1-CB 4.18Å; L104-A111 HydrophobicContact CB-CB 4.43Å; L104-L114 HydrophobicContact CD1-CD1 3.95Å; L104-V137 HydrophobicContact CD1-CG1 4.02Å
105P85.7Confident85.9Confident95 Ų9566.9 Ų66.962%0.61734%0.341SS*.  trans-54.6126.1171.2-23.532.8000109.9D107 G108 A111P105-D107 PolarHBondContact O-N 3.2Å; P105-G108 WeakPolarHBondContact O-CA 3.34Å; P105-G108 PolarHBondContact O-N 3.39Å; P105-A111 VanDerWaalsContact O-CB 3.23Å; P105-A111 WeakPolarHBondContact O-CB 3.3Å
106K81.5Confident85.7Confident176 Ų17672.6 Ų72.677%0.76537%0.367SS*.THydrogen-bonded Turntrans-57.4-35.4-174.3-68.8-177.6-180175.20112.7L104L104-K106 PolarHBondContact O-N 3.24Å
107D84.1Confident85.6Confident164 Ų16467.1 Ų67.188%0.87734%0.344SS*.THydrogen-bonded Turntrans-97.29.5177.4-51.9-51.1000112.8P105P105-D107 PolarHBondContact O-N 3.2Å
108G85.4Confident85.5Confident20 Ų2071 Ų7121%0.20636%0.357CS..SBendtrans-74.7155.6179.900000113P105 D110 A111 A112P105-G108 WeakPolarHBondContact O-CA 3.34Å; P105-G108 PolarHBondContact O-N 3.39Å; G108-D110 VanDerWaalsContact C-N 3.28Å; G108-D110 PolarHBondContact O-N 2.76Å; G108-A111 PolarHBondContact O-N 2.9Å; G108-A112 PolarHBondContact O-N 3.03Å
109K87.1Confident85.2Confident180 Ų18073.4 Ų73.478%0.78337%0.373SS*.Hα-helixtrans-55.6-39.1179.9-66-176.8-179.7178.90113.1K113K109-K113 WeakPolarHBondContact O-CB 3.45Å; K109-K113 VanDerWaalsContact O-CG 3.28Å; K109-K113 WeakPolarHBondContact O-CG 3.27Å; K109-K113 PolarHBondContact O-N 2.84Å
110D87.1Confident84.4Confident43 Ų4375.1 Ų75.123%0.2339%0.385CS..Hα-helixtrans-71.9-39.7-179.3-71-13.7000112.1L104 G108 K113 L114 V137 R141L104-D110 HydrophobicContact CD1-CB 4.18Å; G108-D110 VanDerWaalsContact C-N 3.28Å; G108-D110 PolarHBondContact O-N 2.76Å; D110-K113 PolarHBondContact O-N 3.19Å; D110-L114 WeakPolarHBondContact O-CG 3.47Å; D110-L114 PolarHBondContact O-N 3.12Å; D110-L114 VanDerWaalsContact O-N 3.08Å; D110-V137 HydrophobicContact CB-CG1 4.08Å; D110-V137 HydrophobicContact CB-CG2 4.18Å; D110-R141 IonicContact OD2-CZ 3.46Å; D110-R141 IonicContact OD2-NH1 3.04Å; D110-R141 PolarHBondContact OD2-NH1 3.22Å; D110-R141 IonicContact OD2-NH2 3.08Å; D110-R141 PolarHBondContact OD2-NH2 3.38Å
111A88.4Confident83.3Confident0 Ų073.1 Ų73.10%039%0.387CS..Hα-helixtrans-65.2-44.4175.700000111.5I99 L104 P105 G108 K113 L114 L115I99-A111 HydrophobicContact CD1-CB 3.75Å; I99-A111 HydrophobicContact CG1-CB 3.81Å; I99-A111 HydrophobicContact CG2-CB 4.37Å; L104-A111 HydrophobicContact CB-CB 4.43Å; P105-A111 VanDerWaalsContact O-CB 3.23Å; P105-A111 WeakPolarHBondContact O-CB 3.3Å; G108-A111 PolarHBondContact O-N 2.9Å; A111-K113 PolarHBondContact O-N 2.9Å; A111-L114 PolarHBondContact O-N 2.73Å; A111-L115 WeakPolarHBondContact O-CG 3.38Å; A111-L115 PolarHBondContact O-N 3.31Å
112A86.7Confident82.2Confident43 Ų4372.9 Ų72.936%0.35540%0.4SS..Hα-helixtrans-60.5-42.5174.800000112G108 L114 L115 H116G108-A112 PolarHBondContact O-N 3.03Å; A112-L114 PolarHBondContact O-N 3.11Å; A112-L115 PolarHBondContact O-N 2.8Å; A112-H116 WeakPolarHBondContact O-CB 3.15Å; A112-H116 PolarHBondContact O-CD2 3.44Å; A112-H116 PolarHBondContact O-N 3.19Å
113K87.1Confident80.6Confident86 Ų8677.2 Ų77.237%0.37443%0.434SS..Hα-helixtrans-61.6-39.8175.7-79.7175.6-176.9177.20113K109 D110 A111 H116 Y117 A121 I133K109-K113 WeakPolarHBondContact O-CB 3.45Å; K109-K113 VanDerWaalsContact O-CG 3.28Å; K109-K113 WeakPolarHBondContact O-CG 3.27Å; K109-K113 PolarHBondContact O-N 2.84Å; D110-K113 PolarHBondContact O-N 3.19Å; A111-K113 PolarHBondContact O-N 2.9Å; K113-H116 CarbonylContact O-C 3.58Å; K113-Y117 WeakPolarHBondContact O-CA 3.07Å; K113-Y117 PolarHBondContact O-N 3.09Å; K113-Y117 VanDerWaalsContact O-N 3.13Å; K113-A121 HydrophobicContact CG-CB 4.13Å; K113-I133 HydrophobicContact CB-CG2 4.24Å
114L89.1Confident79.1Confident2 Ų279.1 Ų79.11%0.0143%0.43CS..Hα-helixtrans-69.3-42.7178.1-71.7171000112A95 I99 L104 D110 A111 A112 F130 I133 A134 V137A95-L114 HydrophobicContact CB-CB 3.92Å; A95-L114 WeakPolarHBondContact CB-O 3.37Å; I99-L114 HydrophobicContact CG1-CD1 4.19Å; L104-L114 HydrophobicContact CD1-CD1 3.95Å; D110-L114 WeakPolarHBondContact O-CG 3.47Å; D110-L114 PolarHBondContact O-N 3.12Å; D110-L114 VanDerWaalsContact O-N 3.08Å; A111-L114 PolarHBondContact O-N 2.73Å; A112-L114 PolarHBondContact O-N 3.11Å; L114-F130 HydrophobicContact CB-CE2 4.5Å; L114-F130 HydrophobicContact CD2-CE2 3.96Å; L114-F130 HydrophobicContact CD2-CZ 4.36Å; L114-I133 HydrophobicContact CD2-CG2 4.31Å; L114-A134 HydrophobicContact CD2-CB 4.04Å; L114-V137 HydrophobicContact CD1-CG1 4.35Å; L114-V137 HydrophobicContact CG-CG2 4.47Å
115L88.7Confident77.9Confident59 Ų5982.6 Ų82.631%0.30947%0.469SS..Hα-helixtrans-70.7-38.5179.7-69.5169.9000112.3A95 K96 I99 A111 A112A95-L115 HydrophobicContact CB-CD2 4.01Å; K96-L115 HydrophobicContact CG-CD2 4.04Å; I99-L115 HydrophobicContact CD1-CD1 3.89Å; I99-L115 HydrophobicContact CD1-CD2 4.16Å; I99-L115 HydrophobicContact CD1-CG 3.74Å; A111-L115 WeakPolarHBondContact O-CG 3.38Å; A111-L115 PolarHBondContact O-N 3.31Å; A112-L115 PolarHBondContact O-N 2.8Å
116H87.1Confident77.3Confident119 Ų11980.2 Ų80.255%0.55145%0.451SS*.THydrogen-bonded Turntrans-109.843.6-178.2-57-69.5000112A112 K113 R118 T119A112-H116 WeakPolarHBondContact O-CB 3.15Å; A112-H116 PolarHBondContact O-CD2 3.44Å; A112-H116 PolarHBondContact O-N 3.19Å; K113-H116 CarbonylContact O-C 3.58Å; H116-R118 PolarHBondContact O-N 2.92Å; H116-T119 WeakPolarHBondContact O-CB 3.3Å; H116-T119 PolarHBondContact O-N 3.48Å
117Y86.1Confident77.1Confident17 Ų1772.4 Ų72.47%0.06742%0.419CS..THydrogen-bonded Turntrans-59.3-17.5-172.580.1-90.5000115.2E91 K113 G128 F130 I133E91-Y117 HydrophobicContact CB-CD1 4.32Å; E91-Y117 HydrophobicContact CB-CE1 3.74Å; E91-Y117 HydrophobicContact CG-CE1 4.17Å; E91-Y117 PolarHBondContact OE1-OH 3.06Å; K113-Y117 WeakPolarHBondContact O-CA 3.07Å; K113-Y117 PolarHBondContact O-N 3.09Å; K113-Y117 VanDerWaalsContact O-N 3.13Å; Y117-G128 PolarHBondContact O-N 2.92Å; Y117-F130 HydrophobicContact CD1-CB 4.44Å; Y117-F130 HydrophobicContact CD1-CD2 4.07Å; Y117-F130 HydrophobicContact CD2-CB 3.81Å; Y117-F130 HydrophobicContact CE2-CB 4.07Å; Y117-F130 HydrophobicContact CG-CB 4.01Å; Y117-F130 AromaticContact CG-CD2 3.98Å; Y117-F130 HydrophobicContact CG-CD2 3.98Å; Y117-F130 HydrophobicContact CG-CG 4.49Å; Y117-I133 WeakPolarHBondContact O-CD1 3.38Å
118R84.5Confident77Confident91 Ų9164.8 Ų64.834%0.34338%0.379SS..THydrogen-bonded Turntrans-83.1-26.7177.4-60.5178.7-68.7-169-1.4112.5H116 W476 E551H116-R118 PolarHBondContact O-N 2.92Å; R118-W476 HydrophobicContact CB-CB 3.65Å; R118-W476 WeakPolarHBondContact O-CB 3.37Å; R118-E551 IonicContact CZ-OE1 2.77Å; R118-E551 IonicContact NE-OE1 3.06Å; R118-E551 PolarHBondContact NE-OE1 3.48Å; R118-E551 IonicContact NH2-OE1 2.59Å; R118-E551 PolarHBondContact NH2-OE1 3.13Å
119T80.5Confident77.1Confident56 Ų5665 Ų6534%0.34438%0.376SS..SBendtrans-74.8127.9-179.1-52.30000109.6H116 A121H116-T119 WeakPolarHBondContact O-CB 3.3Å; H116-T119 PolarHBondContact O-N 3.48Å; T119-A121 PolarHBondContact O-N 3.24Å
120P72.7Confident77.3Confident55 Ų5556.8 Ų56.836%0.35734%0.34SS..  trans-69105178.926.4-32000110.2A127 W476P120-A127 HydrophobicContact CB-CB 4.12Å; P120-W476 VanDerWaalsContact CD-CD2 3.48Å; P120-W476 VanDerWaalsContact CD-CE3 3.41Å; P120-W476 HydrophobicContact CG-CD2 4.38Å; P120-W476 HydrophobicContact CG-CE3 3.93Å; P120-W476 HydrophobicContact CG-CH2 3.61Å; P120-W476 HydrophobicContact CG-CZ2 4.04Å; P120-W476 HydrophobicContact CG-CZ3 3.54Å
121A59.7Low77.6Confident69 Ų6954.9 Ų54.957%0.5733%0.33SS*.  trans-106.117.2-178.600000113.5K113 T119K113-A121 HydrophobicContact CG-CB 4.13Å; T119-A121 PolarHBondContact O-N 3.24Å
122G55.8Low77.7Confident56 Ų5656.4 Ų56.458%0.57734%0.338SS*.SBendtrans-177.7172.6178.700000114.7R124G122-R124 VanDerWaalsContact C-N 3.26Å; G122-R124 PolarHBondContact O-N 2.73Å
123S46.4Very low77.9Confident135 Ų13555.5 Ų55.594%0.94433%0.326SS*.SBendtrans-73.4-7.2-175.3-42.50000115.4
124R52.3Low78.2Confident184 Ų18451.4 Ų51.469%0.69431%0.309SS*.SBendtrans-95.3124.2177.3-65.6-176.2179.6178.5-0108G122 D126G122-R124 VanDerWaalsContact C-N 3.26Å; G122-R124 PolarHBondContact O-N 2.73Å; R124-D126 WeakPolarHBondContact CB-OD2 3.49Å; R124-D126 PolarHBondContact O-N 3.2Å
125G59.9Low78.3Confident84 Ų8453.2 Ų53.287%0.86632%0.316SS*.SBendtrans-67.839.1-175.600000115.6
126D72.9Confident78.4Confident46 Ų4654 Ų5425%0.24632%0.317CS..  trans-91-1.2-178.6-57-46.3000112.6R124 G128 D129 F136R124-D126 WeakPolarHBondContact CB-OD2 3.49Å; R124-D126 PolarHBondContact O-N 3.2Å; D126-G128 PolarHBondContact O-N 2.85Å; D126-D129 PolarHBondContact O-N 3.15Å; D126-F136 VanDerWaalsContact OD2-CE2 3.31Å; D126-F136 WeakPolarHBondContact OD2-CE2 3.34Å
127A77.8Confident78.5Confident12 Ų1248.7 Ų48.710%0.09929%0.293CS..THydrogen-bonded Turntrans-58.3127.7179.400000110.4P120 G482 G483P120-A127 HydrophobicContact CB-CB 4.12Å; A127-G482 CarbonylContact O-C 3.45Å; A127-G482 WeakPolarHBondContact O-CA 3.33Å; A127-G483 PolarHBondContact O-N 3.1Å
128G81.4Confident78.7Confident4 Ų448 Ų484%0.04129%0.29CS..THydrogen-bonded Turntrans90.20.9-178.400000115.9Y117 D126 K478 G479Y117-G128 PolarHBondContact O-N 2.92Å; D126-G128 PolarHBondContact O-N 2.85Å; G128-K478 WeakPolarHBondContact O-CA 3.34Å; G128-G479 PolarHBondContact O-N 2.83Å
129D88.4Confident78.9Confident25 Ų2549.6 Ų49.613%0.13430%0.3CS..  trans-110.397.8162.8-172.6-21.1000110D126 A131 M132 I133 R193D126-D129 PolarHBondContact O-N 3.15Å; D129-A131 VanDerWaalsContact C-N 3.28Å; D129-A131 PolarHBondContact O-N 3.39Å; D129-A131 WeakPolarHBondContact OD1-CB 3.35Å; D129-A131 PolarHBondContact OD1-N 2.97Å; D129-M132 HydrophobicContact CB-CB 4.13Å; D129-M132 HydrophobicContact CB-CG 4.25Å; D129-M132 PolarHBondContact O-N 3.38Å; D129-M132 PolarHBondContact OD1-N 2.8Å; D129-M132 WeakPolarHBondContact OD2-CG 3.27Å; D129-I133 WeakPolarHBondContact O-CG1 3.44Å; D129-I133 PolarHBondContact O-N 3.44Å; D129-I133 VanDerWaalsContact O-N 3.13Å; D129-R193 IonicContact OD2-CZ 2.82Å; D129-R193 IonicContact OD2-NH2 2.8Å; D129-R193 PolarHBondContact OD2-NH2 2.67Å
130F91.6Very high79.2Confident7 Ų751.7 Ų51.73%0.03131%0.314CS..Hα-helixtrans-59.2-37.1-179.1177.8-102.7000112.8E91 L94 A95 Y98 L114 Y117 I133 A134 I192E91-F130 HydrophobicContact CB-CB 4.22Å; E91-F130 HydrophobicContact CB-CD1 4.15Å; E91-F130 HydrophobicContact CB-CD2 4.11Å; E91-F130 HydrophobicContact CB-CG 3.88Å; E91-F130 HydrophobicContact CG-CB 3.85Å; E91-F130 HydrophobicContact CG-CD1 4.14Å; E91-F130 HydrophobicContact CG-CG 3.96Å; L94-F130 HydrophobicContact CB-CE1 3.54Å; L94-F130 HydrophobicContact CB-CZ 3.66Å; L94-F130 HydrophobicContact CD1-CD1 4.45Å; L94-F130 HydrophobicContact CD1-CE1 3.87Å; L94-F130 HydrophobicContact CG-CE1 4.35Å; A95-F130 HydrophobicContact CB-CE2 3.89Å; A95-F130 HydrophobicContact CB-CZ 4.22Å; Y98-F130 HydrophobicContact CD2-CZ 4.49Å; L114-F130 HydrophobicContact CB-CE2 4.5Å; L114-F130 HydrophobicContact CD2-CE2 3.96Å; L114-F130 HydrophobicContact CD2-CZ 4.36Å; Y117-F130 HydrophobicContact CD1-CB 4.44Å; Y117-F130 HydrophobicContact CD1-CD2 4.07Å; Y117-F130 HydrophobicContact CD2-CB 3.81Å; Y117-F130 HydrophobicContact CE2-CB 4.07Å; Y117-F130 HydrophobicContact CG-CB 4.01Å; Y117-F130 AromaticContact CG-CD2 3.98Å; Y117-F130 HydrophobicContact CG-CD2 3.98Å; Y117-F130 HydrophobicContact CG-CG 4.49Å; F130-I133 PolarHBondContact O-N 2.93Å; F130-A134 WeakPolarHBondContact O-CB 3.45Å; F130-A134 PolarHBondContact O-N 3.45Å; F130-I192 HydrophobicContact CD1-CG2 3.64Å; F130-I192 HydrophobicContact CE1-CD1 4.26Å; F130-I192 HydrophobicContact CE1-CG2 3.95Å
131A92.6Very high79.7Confident2 Ų254.6 Ų54.62%0.01732%0.318CS..Hα-helixtrans-67.9-39.7-177.700000111.6D129 Y135 K189 I192 R193D129-A131 VanDerWaalsContact C-N 3.28Å; D129-A131 PolarHBondContact O-N 3.39Å; D129-A131 WeakPolarHBondContact OD1-CB 3.35Å; D129-A131 PolarHBondContact OD1-N 2.97Å; A131-Y135 WeakPolarHBondContact O-CB 3.47Å; A131-Y135 PolarHBondContact O-N 3.37Å; A131-K189 HydrophobicContact CB-CG 4.08Å; A131-I192 HydrophobicContact CB-CB 4.19Å; A131-I192 HydrophobicContact CB-CG2 3.81Å; A131-R193 HydrophobicContact CB-CG 3.7Å
132M91.1Very high80.8Confident33 Ų3352.5 Ų52.516%0.16330%0.299CS..Hα-helixtrans-67-42.5175.1-75.2-63.4-61.100112.1D129 Y135 F136 K189D129-M132 HydrophobicContact CB-CB 4.13Å; D129-M132 HydrophobicContact CB-CG 4.25Å; D129-M132 PolarHBondContact O-N 3.38Å; D129-M132 PolarHBondContact OD1-N 2.8Å; D129-M132 WeakPolarHBondContact OD2-CG 3.27Å; M132-Y135 WeakPolarHBondContact O-CB 3.24Å; M132-Y135 PolarHBondContact O-N 3.31Å; M132-F136 HydrophobicContact CE-CE2 3.73Å; M132-F136 HydrophobicContact CE-CZ 3.98Å; M132-F136 WeakPolarHBondContact O-CD2 3.46Å; M132-F136 PolarHBondContact O-N 2.6Å; M132-F136 VanDerWaalsContact O-N 3.11Å; M132-K189 HydrophobicContact SD-CD 3.68Å
133I90.8Very high82Confident23 Ų2353.3 Ų53.312%0.11829%0.294CS..Hα-helixtrans-62.2-46.5176.6-69.1166.6000110.4K113 L114 Y117 D129 F130 Y135 F136 V137K113-I133 HydrophobicContact CB-CG2 4.24Å; L114-I133 HydrophobicContact CD2-CG2 4.31Å; Y117-I133 WeakPolarHBondContact O-CD1 3.38Å; D129-I133 WeakPolarHBondContact O-CG1 3.44Å; D129-I133 PolarHBondContact O-N 3.44Å; D129-I133 VanDerWaalsContact O-N 3.13Å; F130-I133 PolarHBondContact O-N 2.93Å; I133-Y135 VanDerWaalsContact C-N 3.35Å; I133-Y135 PolarHBondContact O-N 2.79Å; I133-F136 PolarHBondContact O-N 2.68Å; I133-V137 WeakPolarHBondContact O-CG2 3.33Å; I133-V137 PolarHBondContact O-N 3.11Å
134A92.1Very high83.3Confident0 Ų056.9 Ų56.90%029%0.292CS..Hα-helixtrans-59.3-45.1174.600000111.6L114 F130 F136 V137 L138 I192L114-A134 HydrophobicContact CD2-CB 4.04Å; F130-A134 WeakPolarHBondContact O-CB 3.45Å; F130-A134 PolarHBondContact O-N 3.45Å; A134-F136 VanDerWaalsContact C-N 3.33Å; A134-F136 PolarHBondContact O-N 2.97Å; A134-V137 PolarHBondContact O-N 3.03Å; A134-V137 VanDerWaalsContact O-N 3.11Å; A134-L138 HydrophobicContact CB-CD1 4.27Å; A134-L138 WeakPolarHBondContact O-CB 3.47Å; A134-L138 WeakPolarHBondContact O-CD1 3.45Å; A134-L138 WeakPolarHBondContact O-CG 3.22Å; A134-L138 PolarHBondContact O-N 3.5Å; A134-I192 HydrophobicContact CB-CD1 3.58Å
135Y92.9Very high84.6Confident41 Ų4155.8 Ų55.816%0.16130%0.295CS..Hα-helixtrans-54.3-45.5177.3170.5-107.8000112.7A131 M132 I133 V137 L138 K139 A185 L186 K189A131-Y135 WeakPolarHBondContact O-CB 3.47Å; A131-Y135 PolarHBondContact O-N 3.37Å; M132-Y135 WeakPolarHBondContact O-CB 3.24Å; M132-Y135 PolarHBondContact O-N 3.31Å; I133-Y135 VanDerWaalsContact C-N 3.35Å; I133-Y135 PolarHBondContact O-N 2.79Å; Y135-V137 PolarHBondContact O-N 3.04Å; Y135-L138 PolarHBondContact O-N 3.02Å; Y135-K139 HydrophobicContact CE1-CD 4.39Å; Y135-K139 WeakPolarHBondContact O-CB 3.34Å; Y135-K139 PolarHBondContact O-N 3.09Å; Y135-A185 HydrophobicContact CD2-CB 4.05Å; Y135-A185 WeakPolarHBondContact CD2-O 3.3Å; Y135-A185 HydrophobicContact CE2-CB 4.11Å; Y135-L186 HydrophobicContact CE2-CB 4.32Å; Y135-K189 HydrophobicContact CD2-CB 4.37Å; Y135-K189 HydrophobicContact CG-CD 4.24Å
136F90.1Very high86Confident76 Ų7652.6 Ų52.633%0.33326%0.263SS..Hα-helixtrans-68.2-33.2179-72.4-60.9000113.4D126 M132 I133 A134 P140D126-F136 VanDerWaalsContact OD2-CE2 3.31Å; D126-F136 WeakPolarHBondContact OD2-CE2 3.34Å; M132-F136 HydrophobicContact CE-CE2 3.73Å; M132-F136 HydrophobicContact CE-CZ 3.98Å; M132-F136 WeakPolarHBondContact O-CD2 3.46Å; M132-F136 PolarHBondContact O-N 2.6Å; M132-F136 VanDerWaalsContact O-N 3.11Å; I133-F136 PolarHBondContact O-N 2.68Å; A134-F136 VanDerWaalsContact C-N 3.33Å; A134-F136 PolarHBondContact O-N 2.97Å; F136-P140 WeakPolarHBondContact O-CD 3.34Å
137V89.6Confident86.9Confident7 Ų760.8 Ų60.84%0.04229%0.29CS..Hα-helixtrans-69.5-36173.3175.70000111L102 L104 D110 L114 I133 A134 Y135 R141L102-V137 HydrophobicContact CD1-CG1 4.41Å; L104-V137 HydrophobicContact CD1-CG1 4.02Å; D110-V137 HydrophobicContact CB-CG1 4.08Å; D110-V137 HydrophobicContact CB-CG2 4.18Å; L114-V137 HydrophobicContact CD1-CG1 4.35Å; L114-V137 HydrophobicContact CG-CG2 4.47Å; I133-V137 WeakPolarHBondContact O-CG2 3.33Å; I133-V137 PolarHBondContact O-N 3.11Å; A134-V137 PolarHBondContact O-N 3.03Å; A134-V137 VanDerWaalsContact O-N 3.11Å; Y135-V137 PolarHBondContact O-N 3.04Å; V137-R141 PolarHBondContact O-NH1 2.81Å
138L89.7Confident87.7Confident1 Ų160.4 Ų60.41%0.00529%0.287CS..Hα-helixtrans-81.4-32.8-177-69.3165.4000113.6Y98 L102 A134 Y135 P140 R141 C142 A185 Q188Y98-L138 HydrophobicContact CD1-CD2 3.91Å; Y98-L138 HydrophobicContact CE1-CD1 3.92Å; Y98-L138 HydrophobicContact CE1-CD2 3.79Å; Y98-L138 HydrophobicContact CE1-CG 4.42Å; L102-L138 HydrophobicContact CD1-CD2 3.66Å; L102-L138 HydrophobicContact CD2-CD2 4.15Å; L102-L138 HydrophobicContact CG-CD2 4.42Å; A134-L138 HydrophobicContact CB-CD1 4.27Å; A134-L138 WeakPolarHBondContact O-CB 3.47Å; A134-L138 WeakPolarHBondContact O-CD1 3.45Å; A134-L138 WeakPolarHBondContact O-CG 3.22Å; A134-L138 PolarHBondContact O-N 3.5Å; Y135-L138 PolarHBondContact O-N 3.02Å; L138-P140 VanDerWaalsContact C-CD 3.49Å; L138-R141 PolarHBondContact O-N 2.8Å; L138-C142 PolarHBondContact O-N 2.9Å; L138-A185 HydrophobicContact CB-CB 3.85Å; L138-Q188 HydrophobicContact CD1-CB 3.99Å; L138-Q188 VanDerWaalsContact CD1-OE1 3.26Å
139K89.1Confident88.5Confident126 Ų12661.4 Ų61.455%0.54829%0.292SS..THydrogen-bonded Turntrans-49.2-43.4-175.6-172.7178.6-176.2-177.50114.5Y135Y135-K139 HydrophobicContact CE1-CD 4.39Å; Y135-K139 WeakPolarHBondContact O-CB 3.34Å; Y135-K139 PolarHBondContact O-N 3.09Å
140P86.6Confident88.9Confident100 Ų10060.2 Ų60.265%0.64929%0.285SS*.THydrogen-bonded Turntrans-81.6-8176.630.3-33.3000114.6F136 L138F136-P140 WeakPolarHBondContact O-CD 3.34Å; L138-P140 VanDerWaalsContact C-CD 3.49Å
141R83.3Confident89.2Confident115 Ų11562.7 Ų62.743%0.43430%0.297SS..THydrogen-bonded Turntrans-115.5-14.9-167.9-67.1174.8177.597.5-5.9114.5D110 V137 L138D110-R141 IonicContact OD2-CZ 3.46Å; D110-R141 IonicContact OD2-NH1 3.04Å; D110-R141 PolarHBondContact OD2-NH1 3.22Å; D110-R141 IonicContact OD2-NH2 3.08Å; D110-R141 PolarHBondContact OD2-NH2 3.38Å; V137-R141 PolarHBondContact O-NH1 2.81Å; L138-R141 PolarHBondContact O-N 2.8Å
142C82.9Confident89.4Confident26 Ų2666.1 Ų66.118%0.17631%0.313CS..SBendtrans-107.5157.5-175.7-69.10000112.7L138 A185 Q188L138-C142 PolarHBondContact O-N 2.9Å; C142-A185 HydrophobicContact CB-CB 4.14Å; C142-Q188 PolarHBondContact SG-NE2 3.29Å
143P80.1Confident89.6Confident73 Ų7364.5 Ų64.547%0.47431%0.305SS..  trans-62155.917527.2-35.2000111.8Q145 S184P143-Q145 VanDerWaalsContact C-N 3.32Å; P143-Q145 PolarHBondContact O-N 2.99Å; P143-S184 WeakPolarHBondContact O-CA 3.39Å; P143-S184 WeakPolarHBondContact O-CB 3.41Å
144K74.4Confident90Very high209 Ų20963.8 Ų63.891%0.90930%0.301SS*.SBendtrans-68.6-27.1-178.6-68.9-174.9179.7178.30113.5
145Q79.8Confident90.2Very high161 Ų16169.1 Ų69.175%0.75233%0.326SS*.SBendtrans-137.8140.3-178.6-72.3179-13.500110.4P143P143-Q145 VanDerWaalsContact C-N 3.32Å; P143-Q145 PolarHBondContact O-N 2.99Å
146G88.5Confident90.3Very high18 Ų1868.3 Ų68.319%0.18632%0.324CS..  trans-81.6173.2169.900000112.5Q182 E187G146-Q182 VanDerWaalsContact CA-O 3.24Å; G146-Q182 WeakPolarHBondContact CA-O 3.4Å; G146-E187 WeakPolarHBondContact CA-OE2 3.33Å; G146-E187 PolarHBondContact N-OE2 2.99Å
147R91.8Very high90.6Very high217 Ų21764.7 Ų64.782%0.81931%0.308SS*.  trans-121.3-3.9-178.2-61.9-178.7-177.5173-0.3113.9Q182R147-Q182 PolarHBondContact N-O 3.29Å
148L95.4Very high90.9Very high5 Ų566.2 Ų66.23%0.02632%0.317CS..  trans-84143.2-171.8-63.8177.4000111.6F21 Q152 V153 L156 L179 Q182F21-L148 VanDerWaalsContact CB-O 3.3Å; F21-L148 WeakPolarHBondContact CB-O 3.2Å; F21-L148 PolarHBondContact N-O 3.2Å; L148-Q152 HydrophobicContact CD2-CB 4.15Å; L148-V153 HydrophobicContact CB-CG2 3.86Å; L148-V153 HydrophobicContact CD1-CG2 3.96Å; L148-L156 HydrophobicContact CD1-CD1 4.27Å; L148-L156 HydrophobicContact CD2-CD1 4.38Å; L148-L179 HydrophobicContact CD1-CD2 3.89Å; L148-Q182 HydrophobicContact CD1-CB 4.15Å; L148-Q182 HydrophobicContact CD2-CB 4.02Å; L148-Q182 HydrophobicContact CG-CB 3.89Å
149T97.3Very high91.1Very high24 Ų2467.6 Ų67.615%0.14733%0.328CS..BIsolated β-bridgetrans-88.8166.116767.90000110.4S17 V19 E151 Q152 V153S17-T149 WeakPolarHBondContact O-CG2 3.35Å; V19-T149 WeakPolarHBondContact O-CA 3.14Å; T149-E151 VanDerWaalsContact C-N 3.25Å; T149-E151 PolarHBondContact O-N 2.94Å; T149-Q152 PolarHBondContact O-N 2.47Å; T149-Q152 WeakPolarHBondContact OG1-CG 3.29Å; T149-Q152 PolarHBondContact OG1-N 3.29Å; T149-V153 WeakPolarHBondContact O-CG2 3.41Å; T149-V153 PolarHBondContact O-N 3.29Å
150I97.4Very high91.3Very high0 Ų061.6 Ų61.60%030%0.302CS..Hα-helixtrans-62.1-36.1177.7-70.6168.7000111.4A16 V19 F21 L24 F47 W51 P71 L75 N154A16-I150 HydrophobicContact CB-CB 4.46Å; A16-I150 HydrophobicContact CB-CG2 4.3Å; A16-I150 PolarHBondContact O-N 3.22Å; V19-I150 HydrophobicContact CB-CD1 4.06Å; V19-I150 HydrophobicContact CG1-CD1 3.56Å; V19-I150 HydrophobicContact CG1-CG1 4.47Å; V19-I150 PolarHBondContact O-N 2.98Å; F21-I150 HydrophobicContact CD2-CG1 4.37Å; L24-I150 HydrophobicContact CB-CD1 4.03Å; L24-I150 HydrophobicContact CB-CG1 4.47Å; L24-I150 HydrophobicContact CD2-CD1 4.25Å; L24-I150 HydrophobicContact CD2-CG1 4.38Å; F47-I150 HydrophobicContact CZ-CD1 4.24Å; W51-I150 HydrophobicContact CH2-CD1 4.35Å; W51-I150 HydrophobicContact CZ3-CD1 3.72Å; P71-I150 HydrophobicContact CB-CG2 3.95Å; L75-I150 HydrophobicContact CD1-CG2 4.07Å; I150-N154 PolarHBondContact O-N 3.26Å; I150-N154 VanDerWaalsContact O-N 3.11Å; I150-N154 PolarHBondContact O-ND2 3.17Å
151E96.7Very high91.6Very high59 Ų5956.9 Ų56.928%0.27627%0.271SS..Hα-helixtrans-61.9-52.2175-175.2174.2-104.800111.5T14 A16 S17 T149 V153 N154 E155T14-E151 PolarHBondContact OG1-OE1 3.29Å; A16-E151 HydrophobicContact CB-CB 3.96Å; A16-E151 PolarHBondContact O-N 3.03Å; A16-E151 VanDerWaalsContact O-N 3.12Å; S17-E151 WeakPolarHBondContact CA-OE2 3.12Å; S17-E151 WeakPolarHBondContact CB-OE2 3.33Å; T149-E151 VanDerWaalsContact C-N 3.25Å; T149-E151 PolarHBondContact O-N 2.94Å; E151-V153 VanDerWaalsContact C-N 3.29Å; E151-V153 PolarHBondContact O-N 2.82Å; E151-N154 WeakPolarHBondContact O-CA 3.38Å; E151-N154 WeakPolarHBondContact O-CB 3.34Å; E151-N154 PolarHBondContact O-N 3.14Å; E151-E155 WeakPolarHBondContact O-CG 3.34Å; E151-E155 PolarHBondContact O-N 2.92Å
152Q96.6Very high92.1Very high74 Ų7456.2 Ų56.235%0.34628%0.276SS..Hα-helixtrans-60.8-36.7179.7-70.1171.4-2500112.7L148 T149 N154 E155 L156L148-Q152 HydrophobicContact CD2-CB 4.15Å; T149-Q152 PolarHBondContact O-N 2.47Å; T149-Q152 WeakPolarHBondContact OG1-CG 3.29Å; T149-Q152 PolarHBondContact OG1-N 3.29Å; Q152-N154 VanDerWaalsContact C-N 3.34Å; Q152-E155 PolarHBondContact O-N 3.07Å; Q152-L156 WeakPolarHBondContact O-CB 3.46Å; Q152-L156 VanDerWaalsContact O-CG 3.31Å; Q152-L156 WeakPolarHBondContact O-CG 3.48Å; Q152-L156 PolarHBondContact O-N 2.91Å
153V97.3Very high92.5Very high0 Ų056.3 Ų56.30%028%0.275CS..Hα-helixtrans-62.6-43.4173.2168.60000110.8F21 L75 L148 T149 E151 L156 L157 L179 L191F21-V153 HydrophobicContact CB-CG2 3.91Å; F21-V153 HydrophobicContact CD1-CG2 3.99Å; F21-V153 HydrophobicContact CD2-CB 4.31Å; F21-V153 HydrophobicContact CD2-CG1 4.28Å; F21-V153 HydrophobicContact CD2-CG2 3.88Å; F21-V153 HydrophobicContact CE1-CG2 4.48Å; F21-V153 HydrophobicContact CE2-CG1 4.12Å; F21-V153 HydrophobicContact CE2-CG2 4.39Å; F21-V153 HydrophobicContact CG-CG2 3.65Å; F21-V153 HydrophobicContact CZ-CG1 4.47Å; L75-V153 HydrophobicContact CD1-CG1 4.24Å; L148-V153 HydrophobicContact CB-CG2 3.86Å; L148-V153 HydrophobicContact CD1-CG2 3.96Å; T149-V153 WeakPolarHBondContact O-CG2 3.41Å; T149-V153 PolarHBondContact O-N 3.29Å; E151-V153 VanDerWaalsContact C-N 3.29Å; E151-V153 PolarHBondContact O-N 2.82Å; V153-L156 PolarHBondContact O-N 2.91Å; V153-L157 HydrophobicContact CG1-CD1 3.97Å; V153-L157 HydrophobicContact CG1-CG 4.45Å; V153-L157 WeakPolarHBondContact O-CB 3.46Å; V153-L157 VanDerWaalsContact O-CG 3.27Å; V153-L157 WeakPolarHBondContact O-CG 3.48Å; V153-L157 PolarHBondContact O-N 3.12Å; V153-L179 HydrophobicContact CG2-CD2 4.38Å; V153-L191 HydrophobicContact CG1-CD2 3.57Å; V153-L191 HydrophobicContact CG2-CD2 4.48Å
154N97.3Very high93Very high8 Ų855.4 Ų55.44%0.04327%0.266CS..Hα-helixtrans-64.2-46.5177-80.7-65.6000111.8P71 R74 R84 I150 E151 Q152 L156 L157 D158P71-N154 PolarHBondContact O-ND2 3.45Å; R74-N154 WeakPolarHBondContact CD-OD1 3.29Å; R84-N154 VanDerWaalsContact CZ-OD1 3.28Å; R84-N154 PolarHBondContact NH1-O 3.39Å; R84-N154 PolarHBondContact NH1-OD1 2.66Å; R84-N154 PolarHBondContact NH2-OD1 2.69Å; I150-N154 PolarHBondContact O-N 3.26Å; I150-N154 VanDerWaalsContact O-N 3.11Å; I150-N154 PolarHBondContact O-ND2 3.17Å; E151-N154 WeakPolarHBondContact O-CA 3.38Å; E151-N154 WeakPolarHBondContact O-CB 3.34Å; E151-N154 PolarHBondContact O-N 3.14Å; Q152-N154 VanDerWaalsContact C-N 3.34Å; N154-L156 VanDerWaalsContact C-N 3.29Å; N154-L156 PolarHBondContact O-N 2.94Å; N154-L157 CarbonylContact O-C 3.5Å; N154-L157 WeakPolarHBondContact O-CB 3.37Å; N154-L157 PolarHBondContact O-N 3.09Å; N154-L157 VanDerWaalsContact O-N 3.08Å; N154-D158 PolarHBondContact O-N 3.19Å
155E96.3Very high93.7Very high112 Ų11248.3 Ų48.352%0.52325%0.247SC..Hα-helixtrans-56.2-42.5177-68.9177.5160.800112.3E151 Q152 D158 A159E151-E155 WeakPolarHBondContact O-CG 3.34Å; E151-E155 PolarHBondContact O-N 2.92Å; Q152-E155 PolarHBondContact O-N 3.07Å; E155-D158 PolarHBondContact O-N 2.84Å; E155-A159 WeakPolarHBondContact O-CB 3.48Å; E155-A159 PolarHBondContact O-N 2.86Å
156L95.9Very high94.2Very high23 Ų2344.1 Ų44.112%0.1224%0.24CC..Hα-helixtrans-69-37.2177.7-72.3169.7000112.2L148 Q152 V153 N154 A159 I160 Q178 L179L148-L156 HydrophobicContact CD1-CD1 4.27Å; L148-L156 HydrophobicContact CD2-CD1 4.38Å; Q152-L156 WeakPolarHBondContact O-CB 3.46Å; Q152-L156 VanDerWaalsContact O-CG 3.31Å; Q152-L156 WeakPolarHBondContact O-CG 3.48Å; Q152-L156 PolarHBondContact O-N 2.91Å; V153-L156 PolarHBondContact O-N 2.91Å; N154-L156 VanDerWaalsContact C-N 3.29Å; N154-L156 PolarHBondContact O-N 2.94Å; L156-A159 PolarHBondContact O-N 3.37Å; L156-I160 VanDerWaalsContact O-CG1 3.26Å; L156-I160 WeakPolarHBondContact O-CG1 3.06Å; L156-I160 PolarHBondContact O-N 3.11Å; L156-Q178 HydrophobicContact CD1-CB 4.5Å; L156-Q178 HydrophobicContact CD2-CB 4.12Å; L156-L179 HydrophobicContact CB-CD1 4.11Å; L156-L179 HydrophobicContact CB-CD2 3.73Å; L156-L179 HydrophobicContact CB-CG 3.75Å; L156-L179 HydrophobicContact CD1-CD2 3.5Å; L156-L179 HydrophobicContact CD1-CG 3.79Å; L156-L179 HydrophobicContact CG-CD2 4.26Å; L156-L179 HydrophobicContact CG-CG 4.35Å
157L96.1Very high94.3Very high0 Ų052.1 Ų52.10%027%0.269CS..Hα-helixtrans-67.3-38.5173.5-72.5173.8000111.6L75 Y87 V153 N154 I160 A161 L179 I195L75-L157 HydrophobicContact CD2-CD1 3.65Å; Y87-L157 HydrophobicContact CE1-CB 4.05Å; Y87-L157 HydrophobicContact CE1-CD2 4.14Å; Y87-L157 WeakPolarHBondContact CE1-O 3.47Å; V153-L157 HydrophobicContact CG1-CD1 3.97Å; V153-L157 HydrophobicContact CG1-CG 4.45Å; V153-L157 WeakPolarHBondContact O-CB 3.46Å; V153-L157 VanDerWaalsContact O-CG 3.27Å; V153-L157 WeakPolarHBondContact O-CG 3.48Å; V153-L157 PolarHBondContact O-N 3.12Å; N154-L157 CarbonylContact O-C 3.5Å; N154-L157 WeakPolarHBondContact O-CB 3.37Å; N154-L157 PolarHBondContact O-N 3.09Å; N154-L157 VanDerWaalsContact O-N 3.08Å; L157-I160 HydrophobicContact CD2-CD1 4.44Å; L157-I160 WeakPolarHBondContact O-CB 3.47Å; L157-I160 PolarHBondContact O-N 3.36Å; L157-A161 PolarHBondContact O-N 2.96Å; L157-L179 HydrophobicContact CD2-CD1 4.17Å; L157-I195 HydrophobicContact CD2-CD1 4.29Å; L157-I195 HydrophobicContact CD2-CG1 3.78Å
158D95.3Very high94.2Very high40 Ų4045.1 Ų45.121%0.21425%0.248CC..Hα-helixtrans-63.3-44.9174.8-60.3-16.1000110R74 R84 N154 E155 I160 A161 N162R74-D158 IonicContact NH1-OD1 2.67Å; R84-D158 WeakPolarHBondContact CD-OD1 3.25Å; R84-D158 WeakPolarHBondContact CG-OD1 3.33Å; R84-D158 IonicContact CZ-OD1 3.04Å; R84-D158 IonicContact NE-OD1 3.2Å; R84-D158 PolarHBondContact NE-OD1 3.37Å; R84-D158 IonicContact NH1-OD1 3.43Å; R84-D158 PolarHBondContact NH1-OD1 2.95Å; N154-D158 PolarHBondContact O-N 3.19Å; E155-D158 PolarHBondContact O-N 2.84Å; D158-I160 VanDerWaalsContact C-N 3.31Å; D158-I160 PolarHBondContact O-N 3.18Å; D158-A161 PolarHBondContact O-N 2.81Å; D158-N162 WeakPolarHBondContact O-CB 3.36Å; D158-N162 VanDerWaalsContact O-CG 3.22Å; D158-N162 PolarHBondContact O-N 3.28Å; D158-N162 PolarHBondContact O-ND2 3.06Å
159A94.7Very high93.6Very high30 Ų3053 Ų5325%0.24828%0.282CS..Hα-helixtrans-59-40.2173.200000112.2E155 L156 N163E155-A159 WeakPolarHBondContact O-CB 3.48Å; E155-A159 PolarHBondContact O-N 2.86Å; L156-A159 PolarHBondContact O-N 3.37Å; A159-N163 WeakPolarHBondContact O-CB 3.36Å; A159-N163 PolarHBondContact O-N 3.04Å; A159-N163 PolarHBondContact O-ND2 3.34Å
160I93.1Very high93.1Very high0 Ų054.3 Ų54.30%030%0.3CS..Hα-helixtrans-63.8-47.2176-72164.8000111Y87 I89 L156 L157 D158 N164 L172 L176 L179Y87-I160 HydrophobicContact CD1-CB 4.34Å; Y87-I160 HydrophobicContact CD1-CG2 3.82Å; Y87-I160 HydrophobicContact CG-CG2 4.37Å; I89-I160 HydrophobicContact CD1-CG2 3.69Å; I89-I160 HydrophobicContact CG1-CG2 4.47Å; L156-I160 VanDerWaalsContact O-CG1 3.26Å; L156-I160 WeakPolarHBondContact O-CG1 3.06Å; L156-I160 PolarHBondContact O-N 3.11Å; L157-I160 HydrophobicContact CD2-CD1 4.44Å; L157-I160 WeakPolarHBondContact O-CB 3.47Å; L157-I160 PolarHBondContact O-N 3.36Å; D158-I160 VanDerWaalsContact C-N 3.31Å; D158-I160 PolarHBondContact O-N 3.18Å; I160-N164 WeakPolarHBondContact O-CB 3.39Å; I160-N164 PolarHBondContact O-N 3.36Å; I160-L172 HydrophobicContact CG2-CD1 4.47Å; I160-L172 HydrophobicContact CG2-CG 4.19Å; I160-L176 HydrophobicContact CD1-CB 4.21Å; I160-L176 HydrophobicContact CD1-CD1 4.04Å; I160-L179 HydrophobicContact CD1-CD1 3.58Å
161A93Very high92.6Very high0 Ų058 Ų580%032%0.32CS..Hα-helixtrans-62.3-46.8179.600000111.6R84 M85 Y87 L157 D158 N164 A165R84-A161 HydrophobicContact CB-CB 4.33Å; R84-A161 HydrophobicContact CG-CB 4.36Å; M85-A161 WeakPolarHBondContact O-CB 3.36Å; Y87-A161 HydrophobicContact CD1-CB 3.95Å; Y87-A161 HydrophobicContact CE1-CB 4.08Å; L157-A161 PolarHBondContact O-N 2.96Å; D158-A161 PolarHBondContact O-N 2.81Å; A161-N164 PolarHBondContact O-N 2.85Å; A161-A165 PolarHBondContact O-N 3.05Å
162N93.3Very high92.2Very high101 Ų10155.5 Ų55.554%0.5431%0.308SS..Hα-helixtrans-65.1-43.3179.6-69.2-20000111.9D158 N164 A165 A166D158-N162 WeakPolarHBondContact O-CB 3.36Å; D158-N162 VanDerWaalsContact O-CG 3.22Å; D158-N162 PolarHBondContact O-N 3.28Å; D158-N162 PolarHBondContact O-ND2 3.06Å; N162-N164 VanDerWaalsContact C-N 3.32Å; N162-N164 PolarHBondContact O-N 2.9Å; N162-A165 PolarHBondContact O-N 2.8Å; N162-A166 WeakPolarHBondContact O-CB 3.04Å; N162-A166 PolarHBondContact O-N 3.46Å
163N92.3Very high91.6Very high28 Ų2856.1 Ų56.115%0.1531%0.31CS..Hα-helixtrans-66.4-33.4176.3-75.7-50.2000112.6A159 A166 K167 N168 L171 L172A159-N163 WeakPolarHBondContact O-CB 3.36Å; A159-N163 PolarHBondContact O-N 3.04Å; A159-N163 PolarHBondContact O-ND2 3.34Å; N163-A166 CarbonylContact O-C 3.13Å; N163-K167 PolarHBondContact O-N 3.05Å; N163-K167 VanDerWaalsContact O-N 3.14Å; N163-N168 PolarHBondContact O-N 3.39Å; N163-L171 HydrophobicContact CB-CB 4.43Å; N163-L171 WeakPolarHBondContact OD1-CB 3.08Å; N163-L172 HydrophobicContact CB-CB 4.14Å
164N90.6Very high91.2Very high54 Ų5462.1 Ų62.129%0.28934%0.336SS..Hα-helixtrans-66.5-45.1172.6-178.359.7000111.6A86 Y87 G88 I160 A161 N162 A166 K167 L172A86-N164 PolarHBondContact O-ND2 3.42Å; Y87-N164 WeakPolarHBondContact O-CB 3.47Å; Y87-N164 VanDerWaalsContact O-CG 3.26Å; G88-N164 PolarHBondContact N-ND2 3.19Å; I160-N164 WeakPolarHBondContact O-CB 3.39Å; I160-N164 PolarHBondContact O-N 3.36Å; A161-N164 PolarHBondContact O-N 2.85Å; N162-N164 VanDerWaalsContact C-N 3.32Å; N162-N164 PolarHBondContact O-N 2.9Å; N164-A166 VanDerWaalsContact C-N 3.29Å; N164-A166 PolarHBondContact O-N 3.26Å; N164-K167 WeakPolarHBondContact O-CA 3.32Å; N164-K167 PolarHBondContact O-N 3.44Å; N164-L172 HydrophobicContact CB-CD1 3.78Å
165A88.5Confident90.8Very high61 Ų6162.3 Ų62.350%0.50434%0.338SS..Hα-helixtrans-59.5-41175.600000111.5A161 N162 K167A161-A165 PolarHBondContact O-N 3.05Å; N162-A165 PolarHBondContact O-N 2.8Å; A165-K167 PolarHBondContact O-N 3.12Å
166A90.6Very high90.3Very high73 Ų7357.2 Ų57.260%0.60331%0.314SS*.THydrogen-bonded Turntrans-75.31.5173.900000114.4N162 N163 N164 N168N162-A166 WeakPolarHBondContact O-CB 3.04Å; N162-A166 PolarHBondContact O-N 3.46Å; N163-A166 CarbonylContact O-C 3.13Å; N164-A166 VanDerWaalsContact C-N 3.29Å; N164-A166 PolarHBondContact O-N 3.26Å; A166-N168 PolarHBondContact O-N 2.88Å; A166-N168 VanDerWaalsContact O-N 3.15Å
167K90Very high89.8Confident186 Ų18659.3 Ų59.381%0.80933%0.325SS*.THydrogen-bonded Turntrans57.421.9-177.3-57.7176.4-178.2171.90114.6N163 N164 A165 K169N163-K167 PolarHBondContact O-N 3.05Å; N163-K167 VanDerWaalsContact O-N 3.14Å; N164-K167 WeakPolarHBondContact O-CA 3.32Å; N164-K167 PolarHBondContact O-N 3.44Å; A165-K167 PolarHBondContact O-N 3.12Å; K167-K169 PolarHBondContact O-N 2.94Å
168N89.5Confident89.4Confident69 Ų6963 Ų6337%0.36934%0.342SS..  trans-91.186.5179.6-167.6-23.9000111.9N163 A166 G170 L171 L172N163-N168 PolarHBondContact O-N 3.39Å; A166-N168 PolarHBondContact O-N 2.88Å; A166-N168 VanDerWaalsContact O-N 3.15Å; N168-G170 VanDerWaalsContact C-N 3.27Å; N168-G170 PolarHBondContact O-N 2.8Å; N168-G170 PolarHBondContact OD1-N 2.92Å; N168-L171 WeakPolarHBondContact ND2-CD1 3.41Å; N168-L171 PolarHBondContact OD1-N 2.8Å; N168-L172 WeakPolarHBondContact O-CB 3.36Å; N168-L172 PolarHBondContact O-N 3.4Å
169K84.6Confident89.2Confident171 Ų17161.2 Ų61.274%0.74333%0.333SS*.Hα-helixtrans-63.9-28.4-178.7-65.2-176.4-178.9175.60113.7K167 K173K167-K169 PolarHBondContact O-N 2.94Å; K169-K173 WeakPolarHBondContact O-CG 3.44Å; K169-K173 PolarHBondContact O-N 2.82Å
170G85.5Confident88.7Confident51 Ų5160.4 Ų60.453%0.52632%0.324SS..Hα-helixtrans-68.9-50.3-178.300000112.2N168 L172 K173 K174N168-G170 VanDerWaalsContact C-N 3.27Å; N168-G170 PolarHBondContact O-N 2.8Å; N168-G170 PolarHBondContact OD1-N 2.92Å; G170-L172 VanDerWaalsContact C-N 3.35Å; G170-K173 PolarHBondContact O-N 2.81Å; G170-K174 PolarHBondContact O-N 2.89Å; G170-K174 VanDerWaalsContact O-N 3.11Å
171L88.1Confident88.4Confident78 Ų7864.9 Ų64.941%0.40835%0.352SS..Hα-helixtrans-66.5-37.3176-68.3-177.6000112N163 N168 K173 K174 S175N163-L171 HydrophobicContact CB-CB 4.43Å; N163-L171 WeakPolarHBondContact OD1-CB 3.08Å; N168-L171 WeakPolarHBondContact ND2-CD1 3.41Å; N168-L171 PolarHBondContact OD1-N 2.8Å; L171-K173 VanDerWaalsContact C-N 3.34Å; L171-K173 PolarHBondContact O-N 2.97Å; L171-K174 WeakPolarHBondContact O-CB 3.28Å; L171-K174 PolarHBondContact O-N 3.08Å; L171-K174 VanDerWaalsContact O-N 3.07Å; L171-S175 PolarHBondContact O-N 2.98Å; L171-S175 PolarHBondContact O-OG 2.76Å
172L87.4Confident88.2Confident7 Ų768.8 Ų68.84%0.03737%0.37CS..Hα-helixtrans-55.9-49.1173.2-173.9158.6000111.5I89 M93 I160 N163 N164 N168 G170 K174 S175 L176I89-L172 HydrophobicContact CD1-CD2 4.11Å; M93-L172 HydrophobicContact CE-CD2 3.47Å; M93-L172 VanDerWaalsContact CE-CD2 3.47Å; I160-L172 HydrophobicContact CG2-CD1 4.47Å; I160-L172 HydrophobicContact CG2-CG 4.19Å; N163-L172 HydrophobicContact CB-CB 4.14Å; N164-L172 HydrophobicContact CB-CD1 3.78Å; N168-L172 WeakPolarHBondContact O-CB 3.36Å; N168-L172 PolarHBondContact O-N 3.4Å; G170-L172 VanDerWaalsContact C-N 3.35Å; L172-K174 VanDerWaalsContact C-N 3.28Å; L172-K174 PolarHBondContact O-N 2.96Å; L172-S175 PolarHBondContact O-N 2.81Å; L172-L176 WeakPolarHBondContact O-CB 3.49Å; L172-L176 PolarHBondContact O-N 3.22Å
173K83.8Confident88.2Confident87 Ų8764 Ų6438%0.37834%0.344SS..Hα-helixtrans-59.1-40.1175.7-76.4-165.2-178.9-161.30111.7L97 E100 K169 G170 L171 L176 L177L97-K173 HydrophobicContact CD2-CD 3.78Å; L97-K173 HydrophobicContact CD2-CG 3.76Å; E100-K173 IonicContact OE1-NZ 2.74Å; E100-K173 PolarHBondContact OE1-NZ 2.84Å; E100-K173 IonicContact OE2-NZ 2.67Å; E100-K173 PolarHBondContact OE2-NZ 3.27Å; K169-K173 WeakPolarHBondContact O-CG 3.44Å; K169-K173 PolarHBondContact O-N 2.82Å; G170-K173 PolarHBondContact O-N 2.81Å; L171-K173 VanDerWaalsContact C-N 3.34Å; L171-K173 PolarHBondContact O-N 2.97Å; K173-L176 PolarHBondContact O-N 3.26Å; K173-L177 VanDerWaalsContact O-CB 3.28Å; K173-L177 WeakPolarHBondContact O-CB 3.48Å; K173-L177 PolarHBondContact O-N 3.31Å
174K88.5Confident88.4Confident126 Ų12663.1 Ų63.155%0.54834%0.34SS..Hα-helixtrans-64.4-46.6179.1-172.5-178177.9-176.90112.2G170 L171 L172 L176 L177 Q178G170-K174 PolarHBondContact O-N 2.89Å; G170-K174 VanDerWaalsContact O-N 3.11Å; L171-K174 WeakPolarHBondContact O-CB 3.28Å; L171-K174 PolarHBondContact O-N 3.08Å; L171-K174 VanDerWaalsContact O-N 3.07Å; L172-K174 VanDerWaalsContact C-N 3.28Å; L172-K174 PolarHBondContact O-N 2.96Å; K174-L176 VanDerWaalsContact C-N 3.35Å; K174-L177 WeakPolarHBondContact O-CB 3.5Å; K174-L177 PolarHBondContact O-N 2.92Å; K174-Q178 WeakPolarHBondContact O-CG 3.44Å; K174-Q178 PolarHBondContact O-N 2.84Å
175S90.4Very high88.5Confident12 Ų1261 Ų618%0.08433%0.331CS..Hα-helixtrans-63.5-41.1176.7-60.90000111.7L171 L172 L177 Q178 L179L171-S175 PolarHBondContact O-N 2.98Å; L171-S175 PolarHBondContact O-OG 2.76Å; L172-S175 PolarHBondContact O-N 2.81Å; S175-L177 VanDerWaalsContact C-N 3.34Å; S175-L177 PolarHBondContact O-N 2.94Å; S175-Q178 WeakPolarHBondContact O-CB 3.39Å; S175-Q178 PolarHBondContact O-N 2.97Å; S175-L179 PolarHBondContact O-N 3.03Å; S175-L179 VanDerWaalsContact O-N 3.13Å
176L86Confident88.8Confident5 Ų560.1 Ų60.13%0.02632%0.317CS..Hα-helixtrans-66.9-36.9176-171.162000112.1I89 L94 L97 I160 L172 K173 K174 Q178 L179 I180 I195I89-L176 HydrophobicContact CD1-CD2 4.23Å; L94-L176 HydrophobicContact CD2-CD2 3.89Å; L97-L176 HydrophobicContact CD1-CD2 3.36Å; I160-L176 HydrophobicContact CD1-CB 4.21Å; I160-L176 HydrophobicContact CD1-CD1 4.04Å; L172-L176 WeakPolarHBondContact O-CB 3.49Å; L172-L176 PolarHBondContact O-N 3.22Å; K173-L176 PolarHBondContact O-N 3.26Å; K174-L176 VanDerWaalsContact C-N 3.35Å; L176-Q178 VanDerWaalsContact C-N 3.34Å; L176-L179 HydrophobicContact CD1-CD1 4.33Å; L176-L179 WeakPolarHBondContact O-CB 3.43Å; L176-L179 PolarHBondContact O-N 3.2Å; L176-I180 HydrophobicContact CD1-CD1 4.49Å; L176-I180 HydrophobicContact CG-CD1 4Å; L176-I180 VanDerWaalsContact O-CG1 3.32Å; L176-I180 WeakPolarHBondContact O-CG1 3.42Å; L176-I180 PolarHBondContact O-N 2.79Å; L176-I195 HydrophobicContact CD1-CD1 3.99Å
177L85Confident89.1Confident66 Ų6656.8 Ų56.835%0.34629%0.289SS..Hα-helixtrans-61.6-43.4173.4177.854.6000111.3L101 K173 K174 S175 L179 I180 T181L101-L177 HydrophobicContact CD1-CD1 3.76Å; L101-L177 HydrophobicContact CD2-CD1 3.39Å; L101-L177 HydrophobicContact CD2-CD2 4.14Å; L101-L177 HydrophobicContact CD2-CG 4.21Å; L101-L177 HydrophobicContact CG-CD1 4.07Å; K173-L177 VanDerWaalsContact O-CB 3.28Å; K173-L177 WeakPolarHBondContact O-CB 3.48Å; K173-L177 PolarHBondContact O-N 3.31Å; K174-L177 WeakPolarHBondContact O-CB 3.5Å; K174-L177 PolarHBondContact O-N 2.92Å; S175-L177 VanDerWaalsContact C-N 3.34Å; S175-L177 PolarHBondContact O-N 2.94Å; L177-L179 VanDerWaalsContact C-N 3.34Å; L177-L179 PolarHBondContact O-N 2.84Å; L177-I180 PolarHBondContact O-N 3.15Å; L177-T181 WeakPolarHBondContact CD1-OG1 3.42Å; L177-T181 WeakPolarHBondContact O-CB 3.34Å; L177-T181 PolarHBondContact O-N 3.3Å; L177-T181 PolarHBondContact O-OG1 2.81Å
178Q87.9Confident89.3Confident78 Ų7848 Ų4836%0.36425%0.251SS..Hα-helixtrans-58.6-44.5175.6-73.1175.3-34.600112L156 K174 S175 L176 I180 Q182L156-Q178 HydrophobicContact CD1-CB 4.5Å; L156-Q178 HydrophobicContact CD2-CB 4.12Å; K174-Q178 WeakPolarHBondContact O-CG 3.44Å; K174-Q178 PolarHBondContact O-N 2.84Å; S175-Q178 WeakPolarHBondContact O-CB 3.39Å; S175-Q178 PolarHBondContact O-N 2.97Å; L176-Q178 VanDerWaalsContact C-N 3.34Å; Q178-I180 PolarHBondContact O-N 3.14Å; Q178-Q182 WeakPolarHBondContact O-CB 3.37Å; Q178-Q182 WeakPolarHBondContact O-CG 3.35Å; Q178-Q182 PolarHBondContact O-N 3.02Å
179L89.9Confident89.6Confident2 Ų244.7 Ų44.71%0.0123%0.233CC..Hα-helixtrans-57.9-47.9173.9-79.1173000112L148 V153 L156 L157 I160 S175 L176 L177 S183 L191L148-L179 HydrophobicContact CD1-CD2 3.89Å; V153-L179 HydrophobicContact CG2-CD2 4.38Å; L156-L179 HydrophobicContact CB-CD1 4.11Å; L156-L179 HydrophobicContact CB-CD2 3.73Å; L156-L179 HydrophobicContact CB-CG 3.75Å; L156-L179 HydrophobicContact CD1-CD2 3.5Å; L156-L179 HydrophobicContact CD1-CG 3.79Å; L156-L179 HydrophobicContact CG-CD2 4.26Å; L156-L179 HydrophobicContact CG-CG 4.35Å; L157-L179 HydrophobicContact CD2-CD1 4.17Å; I160-L179 HydrophobicContact CD1-CD1 3.58Å; S175-L179 PolarHBondContact O-N 3.03Å; S175-L179 VanDerWaalsContact O-N 3.13Å; L176-L179 HydrophobicContact CD1-CD1 4.33Å; L176-L179 WeakPolarHBondContact O-CB 3.43Å; L176-L179 PolarHBondContact O-N 3.2Å; L177-L179 VanDerWaalsContact C-N 3.34Å; L177-L179 PolarHBondContact O-N 2.84Å; L179-S183 WeakPolarHBondContact O-CB 3.43Å; L179-S183 PolarHBondContact O-N 2.94Å; L179-S183 PolarHBondContact O-OG 2.9Å; L179-L191 HydrophobicContact CB-CD1 4.48Å; L179-L191 HydrophobicContact CD2-CD1 4.36Å; L179-L191 HydrophobicContact CD2-CD2 4.37Å
180I85.5Confident90.1Very high13 Ų1336.6 Ų36.67%0.06720%0.198CC..Hα-helixtrans-67.4-46.8-176.2-69.4167.3000111.1Y98 L101 L176 L177 Q178 Q182 S183 Q188Y98-I180 HydrophobicContact CD1-CD1 4.27Å; Y98-I180 HydrophobicContact CE1-CD1 3.69Å; Y98-I180 HydrophobicContact CE1-CG1 3.93Å; Y98-I180 HydrophobicContact CE1-CG2 3.94Å; L101-I180 HydrophobicContact CD1-CD1 3.56Å; L101-I180 HydrophobicContact CD1-CG2 4.47Å; L176-I180 HydrophobicContact CD1-CD1 4.49Å; L176-I180 HydrophobicContact CG-CD1 4Å; L176-I180 VanDerWaalsContact O-CG1 3.32Å; L176-I180 WeakPolarHBondContact O-CG1 3.42Å; L176-I180 PolarHBondContact O-N 2.79Å; L177-I180 PolarHBondContact O-N 3.15Å; Q178-I180 PolarHBondContact O-N 3.14Å; I180-Q182 VanDerWaalsContact C-N 3.29Å; I180-Q182 PolarHBondContact O-N 2.95Å; I180-S183 PolarHBondContact O-N 3.2Å; I180-Q188 PolarHBondContact O-NE2 3.25Å
181T85.5Confident90.7Very high95 Ų9534.5 Ų34.558%0.58317%0.174SC*.Hα-helixtrans-67.1-29.2-176.2-54.90000112.8L177L177-T181 WeakPolarHBondContact CD1-OG1 3.42Å; L177-T181 WeakPolarHBondContact O-CB 3.34Å; L177-T181 PolarHBondContact O-N 3.3Å; L177-T181 PolarHBondContact O-OG1 2.81Å
182Q90.1Very high91Very high81 Ų8131 Ų3138%0.37916%0.156SC..Hα-helixtrans-981-175.7-59.4-175.628.700114.2G146 R147 L148 Q178 I180G146-Q182 VanDerWaalsContact CA-O 3.24Å; G146-Q182 WeakPolarHBondContact CA-O 3.4Å; R147-Q182 PolarHBondContact N-O 3.29Å; L148-Q182 HydrophobicContact CD1-CB 4.15Å; L148-Q182 HydrophobicContact CD2-CB 4.02Å; L148-Q182 HydrophobicContact CG-CB 3.89Å; Q178-Q182 WeakPolarHBondContact O-CB 3.37Å; Q178-Q182 WeakPolarHBondContact O-CG 3.35Å; Q178-Q182 PolarHBondContact O-N 3.02Å; I180-Q182 VanDerWaalsContact C-N 3.29Å; I180-Q182 PolarHBondContact O-N 2.95Å
183S93.4Very high91.4Very high0 Ų030.9 Ų30.90%016%0.155CC..SBendtrans-114.8144.3-177.6-59.20000112L179 I180 Q188 L191L179-S183 WeakPolarHBondContact O-CB 3.43Å; L179-S183 PolarHBondContact O-N 2.94Å; L179-S183 PolarHBondContact O-OG 2.9Å; I180-S183 PolarHBondContact O-N 3.2Å; S183-Q188 PolarHBondContact O-NE2 2.87Å; S183-L191 WeakPolarHBondContact OG-CD1 3.34Å
184S94.6Very high92Very high11 Ų1126.8 Ų26.88%0.07714%0.138CC..  trans-67.3165.9168.969.40000112.1P143 L186 E187 Q188P143-S184 WeakPolarHBondContact O-CA 3.39Å; P143-S184 WeakPolarHBondContact O-CB 3.41Å; S184-L186 PolarHBondContact O-N 3.07Å; S184-E187 WeakPolarHBondContact CA-OE2 3.43Å; S184-E187 WeakPolarHBondContact CB-OE2 3.47Å; S184-E187 PolarHBondContact N-OE2 3.31Å; S184-E187 PolarHBondContact O-N 3.19Å; S184-E187 WeakPolarHBondContact OG-CG 3.29Å; S184-E187 PolarHBondContact OG-N 2.77Å; S184-E187 PolarHBondContact OG-OE2 3.49Å; S184-Q188 WeakPolarHBondContact O-CG 3.4Å; S184-Q188 PolarHBondContact O-N 2.88Å
185A93.7Very high92.2Very high10 Ų1021.2 Ų21.28%0.08311%0.114CC..Hα-helixtrans-57.8-37.5176.700000112.7Y135 L138 C142 K189Y135-A185 HydrophobicContact CD2-CB 4.05Å; Y135-A185 WeakPolarHBondContact CD2-O 3.3Å; Y135-A185 HydrophobicContact CE2-CB 4.11Å; L138-A185 HydrophobicContact CB-CB 3.85Å; C142-A185 HydrophobicContact CB-CB 4.14Å; A185-K189 PolarHBondContact O-N 3.3Å; A185-K189 VanDerWaalsContact O-N 3.08Å
186L94.8Very high92.3Very high42 Ų4223.1 Ų23.122%0.2212%0.122CC..Hα-helixtrans-68.2-44179.1179.862.6000111.4E29 Y135 S184 Q188 K189 W190E29-L186 HydrophobicContact CG-CD1 4.2Å; E29-L186 WeakPolarHBondContact OE2-CD1 3.41Å; Y135-L186 HydrophobicContact CE2-CB 4.32Å; S184-L186 PolarHBondContact O-N 3.07Å; L186-Q188 VanDerWaalsContact C-N 3.34Å; L186-K189 VanDerWaalsContact O-CB 3.25Å; L186-K189 WeakPolarHBondContact O-CB 3.35Å; L186-K189 PolarHBondContact O-N 2.81Å; L186-W190 VanDerWaalsContact O-CD1 3.3Å; L186-W190 PolarHBondContact O-N 2.96Å
187E95.9Very high92.7Very high2 Ų225.3 Ų25.31%0.00913%0.131CC..Hα-helixtrans-62.4-42.5175.8-74163.2126.400111.1F21 A22 C25 G146 S184 K189 W190 L191F21-E187 HydrophobicContact CD1-CB 3.88Å; F21-E187 HydrophobicContact CD1-CG 3.76Å; F21-E187 HydrophobicContact CE1-CB 3.74Å; F21-E187 HydrophobicContact CE1-CG 4.04Å; A22-E187 WeakPolarHBondContact CA-OE1 3.5Å; A22-E187 WeakPolarHBondContact CB-OE1 3.34Å; A22-E187 PolarHBondContact N-OE1 3.2Å; C25-E187 HydrophobicContact CB-CG 4.14Å; G146-E187 WeakPolarHBondContact CA-OE2 3.33Å; G146-E187 PolarHBondContact N-OE2 2.99Å; S184-E187 WeakPolarHBondContact CA-OE2 3.43Å; S184-E187 WeakPolarHBondContact CB-OE2 3.47Å; S184-E187 PolarHBondContact N-OE2 3.31Å; S184-E187 PolarHBondContact O-N 3.19Å; S184-E187 WeakPolarHBondContact OG-CG 3.29Å; S184-E187 PolarHBondContact OG-N 2.77Å; S184-E187 PolarHBondContact OG-OE2 3.49Å; E187-K189 VanDerWaalsContact C-N 3.29Å; E187-K189 PolarHBondContact O-N 3.18Å; E187-W190 PolarHBondContact O-N 3.27Å; E187-L191 WeakPolarHBondContact O-CG 3.38Å; E187-L191 PolarHBondContact O-N 3.41Å
188Q95.1Very high93Very high1 Ų125.4 Ų25.41%0.00513%0.133CC..Hα-helixtrans-61.6-35.3175.8-70.5-179.443.100112.7Y98 L138 C142 I180 S183 S184 L186 W190 L191 I192Y98-Q188 VanDerWaalsContact CE1-OE1 3.24Å; Y98-Q188 PolarHBondContact OH-OE1 3.48Å; L138-Q188 HydrophobicContact CD1-CB 3.99Å; L138-Q188 VanDerWaalsContact CD1-OE1 3.26Å; C142-Q188 PolarHBondContact SG-NE2 3.29Å; I180-Q188 PolarHBondContact O-NE2 3.25Å; S183-Q188 PolarHBondContact O-NE2 2.87Å; S184-Q188 WeakPolarHBondContact O-CG 3.4Å; S184-Q188 PolarHBondContact O-N 2.88Å; L186-Q188 VanDerWaalsContact C-N 3.34Å; Q188-W190 VanDerWaalsContact C-N 3.29Å; Q188-W190 PolarHBondContact O-N 2.87Å; Q188-L191 PolarHBondContact O-N 2.95Å; Q188-I192 WeakPolarHBondContact O-CB 3.38Å; Q188-I192 WeakPolarHBondContact O-CD1 3.48Å; Q188-I192 WeakPolarHBondContact O-CG1 3.44Å; Q188-I192 PolarHBondContact O-N 3.17Å
189K95.3Very high93.2Very high1 Ų122.2 Ų22.20%0.00412%0.118CC..Hα-helixtrans-55-47.2171.8-171.7-17676.7167.40111.1E29 A131 M132 Y135 A185 L186 E187 R193E29-K189 IonicContact OE1-NZ 2.85Å; E29-K189 PolarHBondContact OE1-NZ 2.75Å; E29-K189 VanDerWaalsContact OE2-CE 3.25Å; E29-K189 WeakPolarHBondContact OE2-CE 3.44Å; E29-K189 IonicContact OE2-NZ 3.76Å; E29-K189 PolarHBondContact OE2-NZ 3.09Å; A131-K189 HydrophobicContact CB-CG 4.08Å; M132-K189 HydrophobicContact SD-CD 3.68Å; Y135-K189 HydrophobicContact CD2-CB 4.37Å; Y135-K189 HydrophobicContact CG-CD 4.24Å; A185-K189 PolarHBondContact O-N 3.3Å; A185-K189 VanDerWaalsContact O-N 3.08Å; L186-K189 VanDerWaalsContact O-CB 3.25Å; L186-K189 WeakPolarHBondContact O-CB 3.35Å; L186-K189 PolarHBondContact O-N 2.81Å; E187-K189 VanDerWaalsContact C-N 3.29Å; E187-K189 PolarHBondContact O-N 3.18Å; K189-R193 PolarHBondContact O-N 3.19Å
190W96.8Very high93.2Very high0 Ų025.8 Ų25.80%013%0.133CC..Hα-helixtrans-74.1-39-178.9-71.9111.3000112.5C25 L28 E29 Q32 L186 E187 Q188 I192 R193 M194 L199 L201C25-W190 HydrophobicContact CB-CG 4.39Å; C25-W190 PolarHBondContact O-NE1 3.11Å; L28-W190 HydrophobicContact CB-CD2 3.84Å; L28-W190 HydrophobicContact CB-CE3 3.98Å; L28-W190 HydrophobicContact CB-CH2 3.8Å; L28-W190 HydrophobicContact CB-CZ2 3.65Å; L28-W190 HydrophobicContact CB-CZ3 3.96Å; L28-W190 HydrophobicContact CD1-CD2 4.02Å; L28-W190 HydrophobicContact CD1-CE3 3.85Å; L28-W190 HydrophobicContact CD1-CG 4.39Å; L28-W190 HydrophobicContact CD1-CZ3 4.36Å; L28-W190 WeakPolarHBondContact O-CZ2 3.35Å; E29-W190 WeakPolarHBondContact OE2-CZ2 3.39Å; E29-W190 PolarHBondContact OE2-NE1 2.74Å; E29-W190 VanDerWaalsContact OE2-NE1 3.08Å; Q32-W190 HydrophobicContact CB-CH2 3.97Å; Q32-W190 HydrophobicContact CB-CZ2 4.19Å; L186-W190 VanDerWaalsContact O-CD1 3.3Å; L186-W190 PolarHBondContact O-N 2.96Å; E187-W190 PolarHBondContact O-N 3.27Å; Q188-W190 VanDerWaalsContact C-N 3.29Å; Q188-W190 PolarHBondContact O-N 2.87Å; W190-I192 VanDerWaalsContact C-N 3.33Å; W190-I192 PolarHBondContact O-N 2.87Å; W190-R193 VanDerWaalsContact CH2-NH1 3.28Å; W190-R193 CarbonylContact O-C 3.42Å; W190-R193 WeakPolarHBondContact O-CB 3.26Å; W190-R193 PolarHBondContact O-N 3.37Å; W190-R193 VanDerWaalsContact O-N 3.08Å; W190-M194 HydrophobicContact CB-CE 4.21Å; W190-M194 VanDerWaalsContact O-CG 3.27Å; W190-M194 WeakPolarHBondContact O-CG 3.37Å; W190-M194 PolarHBondContact O-N 3.21Å; W190-L199 HydrophobicContact CE3-CD2 4.5Å; W190-L199 HydrophobicContact CE3-CG 4.27Å; W190-L199 HydrophobicContact CZ3-CB 4.17Å; W190-L199 HydrophobicContact CZ3-CD2 4.38Å; W190-L199 HydrophobicContact CZ3-CG 4.14Å; W190-L199 WeakPolarHBondContact CZ3-O 3.28Å; W190-L201 HydrophobicContact CH2-CD2 3.59Å; W190-L201 HydrophobicContact CZ3-CD2 3.72Å
191L96.1Very high93.4Very high7 Ų725.8 Ų25.84%0.03713%0.133CC..Hα-helixtrans-57.8-44.6172.9-72.6170000111.9F21 V153 L179 S183 E187 Q188 R193 M194 I195F21-L191 HydrophobicContact CE1-CD1 4.1Å; F21-L191 HydrophobicContact CE1-CD2 3.75Å; F21-L191 HydrophobicContact CE1-CG 3.61Å; F21-L191 HydrophobicContact CE2-CD2 4.37Å; F21-L191 HydrophobicContact CZ-CD2 3.56Å; F21-L191 HydrophobicContact CZ-CG 3.76Å; V153-L191 HydrophobicContact CG1-CD2 3.57Å; V153-L191 HydrophobicContact CG2-CD2 4.48Å; L179-L191 HydrophobicContact CB-CD1 4.48Å; L179-L191 HydrophobicContact CD2-CD1 4.36Å; L179-L191 HydrophobicContact CD2-CD2 4.37Å; S183-L191 WeakPolarHBondContact OG-CD1 3.34Å; E187-L191 WeakPolarHBondContact O-CG 3.38Å; E187-L191 PolarHBondContact O-N 3.41Å; Q188-L191 PolarHBondContact O-N 2.95Å; L191-R193 VanDerWaalsContact C-N 3.28Å; L191-R193 PolarHBondContact O-N 2.99Å; L191-M194 HydrophobicContact CD2-SD 4.47Å; L191-M194 PolarHBondContact O-N 3.46Å; L191-I195 VanDerWaalsContact O-CG1 3.29Å; L191-I195 WeakPolarHBondContact O-CG1 3.49Å; L191-I195 PolarHBondContact O-N 2.94Å
192I95.3Very high93.5Very high4 Ų424.5 Ų24.52%0.02114%0.139CC..Hα-helixtrans-56.8-45.9175.2-70.2165.1000110L94 Y98 F130 A131 A134 Q188 W190 M194 I195 I196L94-I192 HydrophobicContact CD1-CG1 4.44Å; L94-I192 HydrophobicContact CD1-CG2 4.09Å; Y98-I192 HydrophobicContact CE2-CD1 3.74Å; Y98-I192 HydrophobicContact CE2-CG1 4.17Å; F130-I192 HydrophobicContact CD1-CG2 3.64Å; F130-I192 HydrophobicContact CE1-CD1 4.26Å; F130-I192 HydrophobicContact CE1-CG2 3.95Å; A131-I192 HydrophobicContact CB-CB 4.19Å; A131-I192 HydrophobicContact CB-CG2 3.81Å; A134-I192 HydrophobicContact CB-CD1 3.58Å; Q188-I192 WeakPolarHBondContact O-CB 3.38Å; Q188-I192 WeakPolarHBondContact O-CD1 3.48Å; Q188-I192 WeakPolarHBondContact O-CG1 3.44Å; Q188-I192 PolarHBondContact O-N 3.17Å; W190-I192 VanDerWaalsContact C-N 3.33Å; W190-I192 PolarHBondContact O-N 2.87Å; I192-M194 PolarHBondContact O-N 3.5Å; I192-I195 PolarHBondContact O-N 3.19Å; I192-I196 HydrophobicContact CG2-CG1 4.34Å; I192-I196 WeakPolarHBondContact O-CB 3.27Å; I192-I196 VanDerWaalsContact O-CG1 3.23Å; I192-I196 WeakPolarHBondContact O-CG1 3.4Å; I192-I196 PolarHBondContact O-N 3.2Å
193R95.4Very high93.5Very high6 Ų621.9 Ų21.92%0.02313%0.129CC..Hα-helixtrans-66.6-35.6178.9-74.1-178.4174.9163.2-4.3113.4Q32 D129 A131 K189 W190 L191 K197 D198 L199Q32-R193 VanDerWaalsContact NE2-CZ 3.35Å; D129-R193 IonicContact OD2-CZ 2.82Å; D129-R193 IonicContact OD2-NH2 2.8Å; D129-R193 PolarHBondContact OD2-NH2 2.67Å; A131-R193 HydrophobicContact CB-CG 3.7Å; K189-R193 PolarHBondContact O-N 3.19Å; W190-R193 VanDerWaalsContact CH2-NH1 3.28Å; W190-R193 CarbonylContact O-C 3.42Å; W190-R193 WeakPolarHBondContact O-CB 3.26Å; W190-R193 PolarHBondContact O-N 3.37Å; W190-R193 VanDerWaalsContact O-N 3.08Å; L191-R193 VanDerWaalsContact C-N 3.28Å; L191-R193 PolarHBondContact O-N 2.99Å; R193-K197 WeakPolarHBondContact O-CA 3.43Å; R193-K197 PolarHBondContact O-N 3.25Å; R193-D198 WeakPolarHBondContact CB-O 3.15Å; R193-D198 WeakPolarHBondContact CG-O 3.21Å; R193-D198 PolarHBondContact O-N 2.96Å; R193-L199 HydrophobicContact CB-CG 4.5Å
194M96Very high93.4Very high1 Ų124.3 Ų24.31%0.00515%0.146CC..Hα-helixtrans-66.3-42.6174.3-68.2164.1-175.900111.3F21 L24 L28 L75 W190 L191 I192 K197 L199F21-M194 HydrophobicContact CE2-CE 3.78Å; F21-M194 HydrophobicContact CE2-SD 3.84Å; F21-M194 HydrophobicContact CZ-CE 3.91Å; F21-M194 HydrophobicContact CZ-SD 3.78Å; L24-M194 HydrophobicContact CD2-CE 4.23Å; L28-M194 HydrophobicContact CD1-CE 3.69Å; L75-M194 HydrophobicContact CB-CE 3.93Å; L75-M194 HydrophobicContact CB-CG 4.5Å; L75-M194 HydrophobicContact CB-SD 3.97Å; L75-M194 HydrophobicContact CD1-SD 4.43Å; L75-M194 HydrophobicContact CD2-SD 4.03Å; L75-M194 HydrophobicContact CG-SD 4.37Å; W190-M194 HydrophobicContact CB-CE 4.21Å; W190-M194 VanDerWaalsContact O-CG 3.27Å; W190-M194 WeakPolarHBondContact O-CG 3.37Å; W190-M194 PolarHBondContact O-N 3.21Å; L191-M194 HydrophobicContact CD2-SD 4.47Å; L191-M194 PolarHBondContact O-N 3.46Å; I192-M194 PolarHBondContact O-N 3.5Å; M194-K197 PolarHBondContact O-N 3.24Å; M194-L199 HydrophobicContact CG-CD1 4.33Å
195I94.4Very high93.4Very high9 Ų925.9 Ų25.95%0.04615%0.152CC..Hα-helixtrans-65.7-43.7176.5-68.4166.7000111.3Y87 I89 L157 L176 L191 I192 K197Y87-I195 HydrophobicContact CD2-CB 4.49Å; Y87-I195 HydrophobicContact CD2-CG2 4.15Å; I89-I195 HydrophobicContact CB-CG2 3.83Å; I89-I195 HydrophobicContact CD1-CG2 4.32Å; I89-I195 HydrophobicContact CG2-CG2 3.98Å; L157-I195 HydrophobicContact CD2-CD1 4.29Å; L157-I195 HydrophobicContact CD2-CG1 3.78Å; L176-I195 HydrophobicContact CD1-CD1 3.99Å; L191-I195 VanDerWaalsContact O-CG1 3.29Å; L191-I195 WeakPolarHBondContact O-CG1 3.49Å; L191-I195 PolarHBondContact O-N 2.94Å; I192-I195 PolarHBondContact O-N 3.19Å; I195-K197 PolarHBondContact O-N 2.73Å
196I92.2Very high93.3Very high52 Ų5230 Ų3027%0.26717%0.169SC..Hα-helixtrans-73.3-13.5176.4-62.2-61.4000111.9E91 L94 I192 D198E91-I196 HydrophobicContact CG-CD1 4.03Å; L94-I196 HydrophobicContact CD1-CD1 4.22Å; L94-I196 HydrophobicContact CD1-CG1 4.41Å; I192-I196 HydrophobicContact CG2-CG1 4.34Å; I192-I196 WeakPolarHBondContact O-CB 3.27Å; I192-I196 VanDerWaalsContact O-CG1 3.23Å; I192-I196 WeakPolarHBondContact O-CG1 3.4Å; I192-I196 PolarHBondContact O-N 3.2Å; I196-D198 HydrophobicContact CG2-CB 4.48Å
197K94.3Very high93.3Very high50 Ų5028.2 Ų28.222%0.21716%0.16CC..THydrogen-bonded Turntrans61.737.4-177.3-52.8-172.7166.2-163.30113.8P78 R193 M194 I195P78-K197 HydrophobicContact CB-CB 4.26Å; P78-K197 HydrophobicContact CB-CG 4.16Å; P78-K197 HydrophobicContact CG-CB 4.29Å; P78-K197 VanDerWaalsContact O-CD 3.29Å; P78-K197 WeakPolarHBondContact O-CD 3.45Å; R193-K197 WeakPolarHBondContact O-CA 3.43Å; R193-K197 PolarHBondContact O-N 3.25Å; M194-K197 PolarHBondContact O-N 3.24Å; I195-K197 PolarHBondContact O-N 2.73Å
198D90.8Very high93.3Very high69 Ų6928.2 Ų28.237%0.36916%0.16SC..  trans-14497176.7-179.513.2000111.8R193 I196 K200R193-D198 WeakPolarHBondContact CB-O 3.15Å; R193-D198 WeakPolarHBondContact CG-O 3.21Å; R193-D198 PolarHBondContact O-N 2.96Å; I196-D198 HydrophobicContact CG2-CB 4.48Å; D198-K200 VanDerWaalsContact OD1-CG 3.32Å; D198-K200 WeakPolarHBondContact OD1-CG 3.45Å; D198-K200 PolarHBondContact OD1-N 2.95Å; D198-K200 IonicContact OD1-NZ 3.2Å; D198-K200 WeakPolarHBondContact OD2-CE 3.41Å; D198-K200 IonicContact OD2-NZ 2.84Å; D198-K200 PolarHBondContact OD2-NZ 2.85Å
199L92.6Very high93.3Very high10 Ų1028.3 Ų28.35%0.05216%0.161CC..  trans-81.5-21.1-176.6-87.670.4000114.9L28 I76 P78 W190 R193 M194 L201L28-L199 HydrophobicContact CD1-CD2 4.02Å; L28-L199 HydrophobicContact CD2-CD2 4.12Å; I76-L199 WeakPolarHBondContact O-CD2 3.46Å; P78-L199 VanDerWaalsContact CD-CD1 3.45Å; P78-L199 HydrophobicContact CG-CD1 3.29Å; W190-L199 HydrophobicContact CE3-CD2 4.5Å; W190-L199 HydrophobicContact CE3-CG 4.27Å; W190-L199 HydrophobicContact CZ3-CB 4.17Å; W190-L199 HydrophobicContact CZ3-CD2 4.38Å; W190-L199 HydrophobicContact CZ3-CG 4.14Å; W190-L199 WeakPolarHBondContact CZ3-O 3.28Å; R193-L199 HydrophobicContact CB-CG 4.5Å; M194-L199 HydrophobicContact CG-CD1 4.33Å; L199-L201 VanDerWaalsContact C-N 3.34Å; L199-L201 HydrophobicContact CB-CD1 4.36Å; L199-L201 HydrophobicContact CB-CD2 4.28Å; L199-L201 HydrophobicContact CB-CG 3.87Å; L199-L201 HydrophobicContact CD2-CD1 4.06Å; L199-L201 HydrophobicContact CD2-CD2 4.49Å; L199-L201 HydrophobicContact CD2-CG 4.33Å; L199-L201 PolarHBondContact O-N 2.84Å
200K89.9Confident93.3Very high77 Ų7731.9 Ų31.934%0.33519%0.186SC..  trans51.944.4-177.7-51.4-176.6-175.9-57.30114.4Q32 D198 G202Q32-K200 PolarHBondContact NE2-O 3.44Å; D198-K200 VanDerWaalsContact OD1-CG 3.32Å; D198-K200 WeakPolarHBondContact OD1-CG 3.45Å; D198-K200 PolarHBondContact OD1-N 2.95Å; D198-K200 IonicContact OD1-NZ 3.2Å; D198-K200 WeakPolarHBondContact OD2-CE 3.41Å; D198-K200 IonicContact OD2-NZ 2.84Å; D198-K200 PolarHBondContact OD2-NZ 2.85Å; K200-G202 VanDerWaalsContact C-N 3.32Å
201L89.4Confident93.2Very high13 Ų1333.4 Ų33.47%0.06819%0.194CC..  trans-74.6-20.8179.8-60.1178000113.6L28 M31 K40 W190 L199 V203L28-L201 HydrophobicContact CB-CD2 4.35Å; L28-L201 HydrophobicContact CD2-CD1 3.9Å; L28-L201 HydrophobicContact CD2-CD2 3.97Å; M31-L201 HydrophobicContact CE-CD1 4.27Å; K40-L201 PolarHBondContact NZ-O 3.5Å; W190-L201 HydrophobicContact CH2-CD2 3.59Å; W190-L201 HydrophobicContact CZ3-CD2 3.72Å; L199-L201 VanDerWaalsContact C-N 3.34Å; L199-L201 HydrophobicContact CB-CD1 4.36Å; L199-L201 HydrophobicContact CB-CD2 4.28Å; L199-L201 HydrophobicContact CB-CG 3.87Å; L199-L201 HydrophobicContact CD2-CD1 4.06Å; L199-L201 HydrophobicContact CD2-CD2 4.49Å; L199-L201 HydrophobicContact CD2-CG 4.33Å; L199-L201 PolarHBondContact O-N 2.84Å; L201-V203 VanDerWaalsContact C-N 3.26Å; L201-V203 HydrophobicContact CB-CG2 3.79Å; L201-V203 HydrophobicContact CD1-CG2 4.36Å
202G87.8Confident93.3Very high69 Ų6933.2 Ų33.271%0.71119%0.192SC*.SBendtrans7416.8-173.500000113.8K200K200-G202 VanDerWaalsContact C-N 3.32Å
203V90.1Very high93.3Very high26 Ų2633.1 Ų33.116%0.15819%0.192CC..SBendtrans-121.6144.1169.5-66.80000109.3M31 K40 L201 I208M31-V203 HydrophobicContact CE-CG2 3.99Å; K40-V203 HydrophobicContact CB-CG1 3.82Å; K40-V203 HydrophobicContact CD-CG1 3.64Å; K40-V203 HydrophobicContact CG-CG1 4.39Å; L201-V203 VanDerWaalsContact C-N 3.26Å; L201-V203 HydrophobicContact CB-CG2 3.79Å; L201-V203 HydrophobicContact CD1-CG2 4.36Å; V203-I208 HydrophobicContact CG2-CD1 3.92Å; V203-I208 HydrophobicContact CG2-CG1 4.32Å
204S91.8Very high93.2Very high51 Ų5137 Ų3736%0.35722%0.218SC..  trans-79.5155.8178.866.30000111.5Q206 T207 I208S204-Q206 PolarHBondContact O-N 3.36Å; S204-T207 VanDerWaalsContact O-CB 3.31Å; S204-T207 WeakPolarHBondContact O-CB 2.93Å; S204-T207 PolarHBondContact O-N 2.92Å; S204-T207 PolarHBondContact OG-N 3.12Å; S204-T207 PolarHBondContact OG-OG1 2.84Å; S204-I208 PolarHBondContact O-N 2.87Å
205Q93.2Very high93.1Very high43 Ų4338.1 Ų38.120%0.20122%0.224CC..Hα-helixtrans-57.1-35.1172.369.5-17316.200112.3L77 T207 I208 F209L77-Q205 HydrophobicContact CD2-CB 4.01Å; Q205-T207 VanDerWaalsContact C-N 3.26Å; Q205-T207 PolarHBondContact O-N 2.79Å; Q205-I208 PolarHBondContact O-N 2.76Å; Q205-F209 WeakPolarHBondContact O-CD2 3.4Å; Q205-F209 PolarHBondContact O-N 2.85Å
206Q92.8Very high93.2Very high96 Ų9637.7 Ų37.745%0.44922%0.222SC..Hα-helixtrans-63.3-34.9176.3-7078.96.800111.5S204 S210S204-Q206 PolarHBondContact O-N 3.36Å; Q206-S210 WeakPolarHBondContact O-CB 3.41Å; Q206-S210 PolarHBondContact O-N 3.27Å; Q206-S210 PolarHBondContact O-OG 3.38Å
207T93.8Very high93.3Very high5 Ų536.6 Ų36.63%0.03122%0.221CC..Hα-helixtrans-65.8-46.3174.5-510000110.2R37 S204 Q205 F209 S210 I211R37-T207 PolarHBondContact NH2-OG1 3.26Å; S204-T207 VanDerWaalsContact O-CB 3.31Å; S204-T207 WeakPolarHBondContact O-CB 2.93Å; S204-T207 PolarHBondContact O-N 2.92Å; S204-T207 PolarHBondContact OG-N 3.12Å; S204-T207 PolarHBondContact OG-OG1 2.84Å; Q205-T207 VanDerWaalsContact C-N 3.26Å; Q205-T207 PolarHBondContact O-N 2.79Å; T207-F209 PolarHBondContact O-N 3.46Å; T207-S210 WeakPolarHBondContact CA-OG 3.35Å; T207-S210 PolarHBondContact O-N 3.13Å; T207-S210 PolarHBondContact O-OG 2.94Å; T207-I211 HydrophobicContact CG2-CD1 3.9Å; T207-I211 WeakPolarHBondContact O-CD1 3.24Å; T207-I211 VanDerWaalsContact O-CG1 3.24Å; T207-I211 WeakPolarHBondContact O-CG1 3.34Å; T207-I211 PolarHBondContact O-N 2.9Å
208I95.8Very high93.2Very high3 Ų339.5 Ų39.52%0.01524%0.235CC..Hα-helixtrans-59.7-46.7177.3-61.2-59.6000111.1M31 F44 M73 I76 L77 V203 S204 Q205 I211 F212M31-I208 HydrophobicContact CE-CD1 4.15Å; F44-I208 HydrophobicContact CD1-CD1 3.97Å; F44-I208 HydrophobicContact CE1-CD1 4.2Å; F44-I208 HydrophobicContact CE1-CG2 3.85Å; F44-I208 HydrophobicContact CE2-CG2 4.46Å; F44-I208 HydrophobicContact CG-CD1 4.15Å; F44-I208 HydrophobicContact CZ-CG2 3.74Å; M73-I208 HydrophobicContact CE-CG2 4.26Å; M73-I208 HydrophobicContact SD-CG2 3.92Å; I76-I208 HydrophobicContact CG2-CG2 4.41Å; L77-I208 HydrophobicContact CD1-CB 4.41Å; L77-I208 HydrophobicContact CD1-CG2 3.95Å; L77-I208 HydrophobicContact CD2-CB 4.36Å; L77-I208 HydrophobicContact CD2-CG1 4.27Å; L77-I208 HydrophobicContact CD2-CG2 4.38Å; L77-I208 HydrophobicContact CG-CG2 4.28Å; V203-I208 HydrophobicContact CG2-CD1 3.92Å; V203-I208 HydrophobicContact CG2-CG1 4.32Å; S204-I208 PolarHBondContact O-N 2.87Å; Q205-I208 PolarHBondContact O-N 2.76Å; I208-I211 PolarHBondContact O-N 3.32Å; I208-F212 WeakPolarHBondContact O-CB 3.41Å; I208-F212 PolarHBondContact O-N 3.31Å
209F96.2Very high93.4Very high3 Ų336.4 Ų36.41%0.01322%0.218CC..Hα-helixtrans-59.8-47.8175.3-74-44.9000112.1L77 L80 Q205 T207 I211 F212 H213 A216 A217 Y220 L226L77-F209 HydrophobicContact CD1-CE1 4.07Å; L77-F209 HydrophobicContact CD1-CZ 4.09Å; L80-F209 HydrophobicContact CD1-CE2 3.86Å; L80-F209 HydrophobicContact CD1-CZ 3.59Å; Q205-F209 WeakPolarHBondContact O-CD2 3.4Å; Q205-F209 PolarHBondContact O-N 2.85Å; T207-F209 PolarHBondContact O-N 3.46Å; F209-I211 PolarHBondContact O-N 3.47Å; F209-F212 WeakPolarHBondContact O-CB 3.35Å; F209-F212 PolarHBondContact O-N 2.88Å; F209-H213 CarbonylContact O-C 3.55Å; F209-H213 PolarHBondContact O-N 3.47Å; F209-A216 HydrophobicContact CB-CB 3.98Å; F209-A216 HydrophobicContact CD1-CB 3.84Å; F209-A216 HydrophobicContact CG-CB 4.23Å; F209-A217 HydrophobicContact CB-CB 4.08Å; F209-A217 HydrophobicContact CD2-CB 4.27Å; F209-A217 HydrophobicContact CG-CB 4.47Å; F209-Y220 HydrophobicContact CE1-CG 4.43Å; F209-Y220 AromaticContact CE2-CD1 3.96Å; F209-Y220 HydrophobicContact CE2-CD1 3.96Å; F209-Y220 AromaticContact CE2-CG 3.99Å; F209-Y220 HydrophobicContact CE2-CG 3.99Å; F209-Y220 AromaticContact CZ-CD1 3.95Å; F209-Y220 HydrophobicContact CZ-CD1 3.95Å; F209-Y220 AromaticContact CZ-CD2 3.88Å; F209-Y220 HydrophobicContact CZ-CD2 3.88Å; F209-Y220 HydrophobicContact CZ-CE2 4.48Å; F209-Y220 AromaticContact CZ-CG 3.58Å; F209-Y220 HydrophobicContact CZ-CG 3.58Å; F209-L226 HydrophobicContact CE1-CD2 3.9Å; F209-L226 HydrophobicContact CZ-CD2 3.89Å
210S94.8Very high93.5Very high75 Ų7536 Ų3652%0.52422%0.216SC..Hα-helixtrans-61.1-29.118065.70000113.9Q206 T207Q206-S210 WeakPolarHBondContact O-CB 3.41Å; Q206-S210 PolarHBondContact O-N 3.27Å; Q206-S210 PolarHBondContact O-OG 3.38Å; T207-S210 WeakPolarHBondContact CA-OG 3.35Å; T207-S210 PolarHBondContact O-N 3.13Å; T207-S210 PolarHBondContact O-OG 2.94Å
211I95.4Very high93.8Very high33 Ų3333.5 Ų33.517%0.16921%0.206CC..Hα-helixtrans-79.5-34.4175.2-61.5157.8000110.6T41 F44 K45 T207 I208 F209T41-I211 HydrophobicContact CG2-CD1 3.33Å; T41-I211 HydrophobicContact CG2-CG1 3.62Å; F44-I211 HydrophobicContact CD1-CB 3.9Å; F44-I211 HydrophobicContact CD1-CD1 3.87Å; F44-I211 HydrophobicContact CD1-CG2 3.6Å; F44-I211 HydrophobicContact CE1-CB 3.96Å; F44-I211 HydrophobicContact CE1-CG2 3.86Å; K45-I211 HydrophobicContact CB-CG2 4.06Å; K45-I211 HydrophobicContact CG-CG2 4.48Å; T207-I211 HydrophobicContact CG2-CD1 3.9Å; T207-I211 WeakPolarHBondContact O-CD1 3.24Å; T207-I211 VanDerWaalsContact O-CG1 3.24Å; T207-I211 WeakPolarHBondContact O-CG1 3.34Å; T207-I211 PolarHBondContact O-N 2.9Å; I208-I211 PolarHBondContact O-N 3.32Å; F209-I211 PolarHBondContact O-N 3.47Å
212F96.6Very high94Very high2 Ų233.2 Ų33.21%0.00921%0.205CC..Hα-helixtrans-68.1-54.9178.5-178.3-101.6000111.7L48 R52 F69 M73 I208 F209 A216 V229 C230 L233L48-F212 HydrophobicContact CD1-CD2 3.82Å; L48-F212 HydrophobicContact CD1-CE2 3.99Å; L48-F212 HydrophobicContact CD2-CB 4.47Å; L48-F212 HydrophobicContact CD2-CD2 3.95Å; R52-F212 PolarHBondContact NH1-O 2.9Å; R52-F212 PolarHBondContact NH2-O 2.86Å; F69-F212 HydrophobicContact CB-CE2 3.8Å; F69-F212 HydrophobicContact CB-CZ 4.4Å; F69-F212 HydrophobicContact CD1-CD2 4.04Å; F69-F212 AromaticContact CD1-CE2 3.83Å; F69-F212 HydrophobicContact CD1-CE2 3.83Å; F69-F212 HydrophobicContact CG-CE2 4.08Å; M73-F212 HydrophobicContact CE-CB 3.9Å; M73-F212 HydrophobicContact CE-CD1 4.25Å; M73-F212 HydrophobicContact CE-CD2 3.63Å; M73-F212 HydrophobicContact CE-CE2 4.26Å; M73-F212 HydrophobicContact CE-CG 3.64Å; I208-F212 WeakPolarHBondContact O-CB 3.41Å; I208-F212 PolarHBondContact O-N 3.31Å; F209-F212 WeakPolarHBondContact O-CB 3.35Å; F209-F212 PolarHBondContact O-N 2.88Å; F212-A216 HydrophobicContact CD1-CB 4.03Å; F212-V229 HydrophobicContact CE1-CG1 4.37Å; F212-C230 HydrophobicContact CZ-CB 4.31Å; F212-L233 HydrophobicContact CE1-CB 4.17Å; F212-L233 WeakPolarHBondContact CE1-O 3.38Å
213H96.3Very high94.2Very high2 Ų230.2 Ų30.21%0.00917%0.173CC..  trans-162.1142177.9-167.6-77.2000110.1F209 D215 A216 L233 D235 V238F209-H213 CarbonylContact O-C 3.55Å; F209-H213 PolarHBondContact O-N 3.47Å; H213-D215 VanDerWaalsContact C-N 3.3Å; H213-D215 IonicContact CE1-OD2 2.66Å; H213-D215 PolarHBondContact CE1-OD2 3.31Å; H213-D215 PolarHBondContact ND1-N 3.37Å; H213-D215 IonicContact ND1-OD2 3.51Å; H213-D215 PolarHBondContact O-N 3.23Å; H213-A216 HydrophobicContact CB-CB 4.03Å; H213-A216 WeakPolarHBondContact O-CB 3.36Å; H213-A216 PolarHBondContact O-N 3.06Å; H213-A216 VanDerWaalsContact O-N 3.13Å; H213-L233 HydrophobicContact CB-CB 3.96Å; H213-L233 HydrophobicContact CB-CD1 4.14Å; H213-D235 PolarHBondContact CD2-O 3.3Å; H213-D235 VanDerWaalsContact CD2-O 3.28Å; H213-D235 PolarHBondContact NE2-O 3.4Å; H213-V238 PolarHBondContact NE2-O 2.89Å; H213-V238 VanDerWaalsContact NE2-O 3.14Å
214P93.4Very high94.5Very high88 Ų8829.3 Ų29.357%0.57117%0.167SC*.THydrogen-bonded Turntrans-52.2-45.6176.618.7-32000113.3A216P214-A216 VanDerWaalsContact C-N 3.32Å; P214-A216 PolarHBondContact O-N 3.06Å
215D94.3Very high94.6Very high25 Ų2529.8 Ų29.813%0.13417%0.166CC..THydrogen-bonded Turntrans-79.6-5-177.4-49.9-14.2000114.5H213 A217 E218 L219 L233 S239 L240H213-D215 VanDerWaalsContact C-N 3.3Å; H213-D215 IonicContact CE1-OD2 2.66Å; H213-D215 PolarHBondContact CE1-OD2 3.31Å; H213-D215 PolarHBondContact ND1-N 3.37Å; H213-D215 IonicContact ND1-OD2 3.51Å; H213-D215 PolarHBondContact O-N 3.23Å; D215-A217 VanDerWaalsContact C-N 3.33Å; D215-A217 PolarHBondContact O-N 3.28Å; D215-E218 PolarHBondContact O-N 3.44Å; D215-L219 WeakPolarHBondContact O-CB 3.32Å; D215-L219 PolarHBondContact O-N 3.08Å; D215-L233 HydrophobicContact CB-CD1 4.07Å; D215-L233 HydrophobicContact CB-CD2 4.29Å; D215-S239 WeakPolarHBondContact OD2-CA 3.45Å; D215-S239 WeakPolarHBondContact OD2-CB 3.37Å; D215-S239 PolarHBondContact OD2-OG 3.11Å; D215-L240 PolarHBondContact OD2-N 2.83Å; D215-L240 VanDerWaalsContact OD2-N 3.08Å
216A95.3Very high94.6Very high0 Ų028.1 Ų28.10%016%0.158CC..Hα-helixtrans-63.2-37.3-172.200000113.5F209 F212 H213 P214 Y220 V229 L233F209-A216 HydrophobicContact CB-CB 3.98Å; F209-A216 HydrophobicContact CD1-CB 3.84Å; F209-A216 HydrophobicContact CG-CB 4.23Å; F212-A216 HydrophobicContact CD1-CB 4.03Å; H213-A216 HydrophobicContact CB-CB 4.03Å; H213-A216 WeakPolarHBondContact O-CB 3.36Å; H213-A216 PolarHBondContact O-N 3.06Å; H213-A216 VanDerWaalsContact O-N 3.13Å; P214-A216 VanDerWaalsContact C-N 3.32Å; P214-A216 PolarHBondContact O-N 3.06Å; A216-Y220 WeakPolarHBondContact O-CB 3.39Å; A216-Y220 PolarHBondContact O-N 3.44Å; A216-V229 HydrophobicContact CB-CG1 3.89Å; A216-L233 VanDerWaalsContact CA-CD1 3.44Å; A216-L233 HydrophobicContact CB-CD1 4Å
217A94.4Very high94.7Very high29 Ų2927.4 Ų27.424%0.2416%0.155CC..Hα-helixtrans-67.9-40178.800000111.6F209 D215 N221F209-A217 HydrophobicContact CB-CB 4.08Å; F209-A217 HydrophobicContact CD2-CB 4.27Å; F209-A217 HydrophobicContact CG-CB 4.47Å; D215-A217 VanDerWaalsContact C-N 3.33Å; D215-A217 PolarHBondContact O-N 3.28Å; A217-N221 PolarHBondContact O-N 3.4Å; A217-N221 VanDerWaalsContact O-N 3.09Å; A217-N221 PolarHBondContact O-ND2 3.5Å; A217-N221 PolarHBondContact O-OD1 2.8Å
218E93Very high94.7Very high111 Ų11128.8 Ų28.852%0.51916%0.161SC..Hα-helixtrans-69.7-47.7179.7-169.6170.8-172.700111.1D215 Y220 N221 V222 V243D215-E218 PolarHBondContact O-N 3.44Å; E218-Y220 VanDerWaalsContact C-N 3.32Å; E218-Y220 PolarHBondContact O-N 2.87Å; E218-N221 WeakPolarHBondContact O-CB 3.48Å; E218-N221 PolarHBondContact O-N 2.81Å; E218-V222 PolarHBondContact O-N 3.37Å; E218-V243 HydrophobicContact CB-CG1 4.35Å; E218-V243 HydrophobicContact CG-CB 4.19Å; E218-V243 HydrophobicContact CG-CG1 3.82Å
219L94.4Very high94.7Very high3 Ų328.7 Ų28.72%0.01616%0.16CC..Hα-helixtrans-60.9-41.5176.4-177.763000111.8D215 N221 V222 T223 V229 Q232 L233 L240 V243D215-L219 WeakPolarHBondContact O-CB 3.32Å; D215-L219 PolarHBondContact O-N 3.08Å; L219-N221 VanDerWaalsContact C-N 3.28Å; L219-N221 PolarHBondContact O-N 3.02Å; L219-V222 HydrophobicContact CD1-CG2 4.35Å; L219-V222 VanDerWaalsContact O-CG2 3.32Å; L219-V222 WeakPolarHBondContact O-CG2 3.32Å; L219-V222 PolarHBondContact O-N 3.3Å; L219-T223 HydrophobicContact CD1-CG2 3.97Å; L219-T223 HydrophobicContact CG-CG2 4.5Å; L219-T223 WeakPolarHBondContact O-CB 3.31Å; L219-T223 WeakPolarHBondContact O-CG2 3.28Å; L219-T223 PolarHBondContact O-N 3.46Å; L219-T223 VanDerWaalsContact O-N 3.11Å; L219-T223 PolarHBondContact O-OG1 3.21Å; L219-V229 HydrophobicContact CB-CG2 4.24Å; L219-V229 HydrophobicContact CD2-CB 4.41Å; L219-V229 HydrophobicContact CD2-CG2 3.99Å; L219-V229 HydrophobicContact CG-CG2 3.9Å; L219-Q232 HydrophobicContact CD2-CB 4.14Å; L219-L233 HydrophobicContact CB-CD1 4.18Å; L219-L233 HydrophobicContact CD2-CD1 3.7Å; L219-L233 HydrophobicContact CD2-CG 3.81Å; L219-L240 HydrophobicContact CD1-CD1 4.08Å; L219-L240 HydrophobicContact CD2-CD1 3.78Å; L219-L240 HydrophobicContact CG-CD1 4.4Å; L219-V243 HydrophobicContact CB-CG1 4.16Å; L219-V243 HydrophobicContact CD1-CG1 4.15Å
220Y95.3Very high94.6Very high1 Ų128.5 Ų28.50%0.00416%0.16CC..Hα-helixtrans-63.4-35.4175.4-174.2-98.2000112.1L80 F209 A216 E218 V222 T223 T224 L226 V229 K252L80-Y220 HydrophobicContact CB-CE2 4.27Å; L80-Y220 WeakPolarHBondContact CB-OH 3.44Å; L80-Y220 HydrophobicContact CD1-CD1 4.5Å; L80-Y220 HydrophobicContact CD1-CE1 3.92Å; L80-Y220 HydrophobicContact CD1-CE2 4.25Å; L80-Y220 HydrophobicContact CD2-CE1 3.95Å; L80-Y220 WeakPolarHBondContact CD2-OH 3.42Å; L80-Y220 HydrophobicContact CG-CE1 4.39Å; F209-Y220 HydrophobicContact CE1-CG 4.43Å; F209-Y220 AromaticContact CE2-CD1 3.96Å; F209-Y220 HydrophobicContact CE2-CD1 3.96Å; F209-Y220 AromaticContact CE2-CG 3.99Å; F209-Y220 HydrophobicContact CE2-CG 3.99Å; F209-Y220 AromaticContact CZ-CD1 3.95Å; F209-Y220 HydrophobicContact CZ-CD1 3.95Å; F209-Y220 AromaticContact CZ-CD2 3.88Å; F209-Y220 HydrophobicContact CZ-CD2 3.88Å; F209-Y220 HydrophobicContact CZ-CE2 4.48Å; F209-Y220 AromaticContact CZ-CG 3.58Å; F209-Y220 HydrophobicContact CZ-CG 3.58Å; A216-Y220 WeakPolarHBondContact O-CB 3.39Å; A216-Y220 PolarHBondContact O-N 3.44Å; E218-Y220 VanDerWaalsContact C-N 3.32Å; E218-Y220 PolarHBondContact O-N 2.87Å; Y220-V222 VanDerWaalsContact C-N 3.27Å; Y220-V222 PolarHBondContact O-N 3.39Å; Y220-T223 PolarHBondContact O-N 3.3Å; Y220-T224 HydrophobicContact CE1-CG2 4.43Å; Y220-T224 WeakPolarHBondContact O-CA 3.31Å; Y220-T224 PolarHBondContact O-N 2.82Å; Y220-T224 WeakPolarHBondContact OH-CG2 3.43Å; Y220-L226 HydrophobicContact CD2-CD2 3.85Å; Y220-L226 HydrophobicContact CD2-CG 4.5Å; Y220-L226 HydrophobicContact CE2-CD2 3.71Å; Y220-L226 HydrophobicContact CE2-CG 3.99Å; Y220-V229 HydrophobicContact CD2-CG2 4.24Å; Y220-K252 VanDerWaalsContact CE1-CE 3.41Å
221N95Very high94.6Very high25 Ų2531 Ų3113%0.13416%0.157CC..Hα-helixtrans-68.6-25.2180-69.5-17.9000113A217 E218 L219 F251 K252 P445 D446A217-N221 PolarHBondContact O-N 3.4Å; A217-N221 VanDerWaalsContact O-N 3.09Å; A217-N221 PolarHBondContact O-ND2 3.5Å; A217-N221 PolarHBondContact O-OD1 2.8Å; E218-N221 WeakPolarHBondContact O-CB 3.48Å; E218-N221 PolarHBondContact O-N 2.81Å; L219-N221 VanDerWaalsContact C-N 3.28Å; L219-N221 PolarHBondContact O-N 3.02Å; N221-F251 CarbonylContact O-C 3.51Å; N221-F251 WeakPolarHBondContact O-CA 3.49Å; N221-K252 PolarHBondContact O-N 2.68Å; N221-K252 PolarHBondContact OD1-NZ 3.41Å; N221-P445 HydrophobicContact CB-CB 4.13Å; N221-D446 HydrophobicContact CB-CB 4.41Å; N221-D446 PolarHBondContact OD1-OD2 3.17Å
222V94.9Very high94.4Very high7 Ų732.8 Ų32.84%0.04217%0.165CC..Hα-helixtrans-97.4-11.7177.5-610000114.2E218 L219 Y220 V243 S244 I245 P445E218-V222 PolarHBondContact O-N 3.37Å; L219-V222 HydrophobicContact CD1-CG2 4.35Å; L219-V222 VanDerWaalsContact O-CG2 3.32Å; L219-V222 WeakPolarHBondContact O-CG2 3.32Å; L219-V222 PolarHBondContact O-N 3.3Å; Y220-V222 VanDerWaalsContact C-N 3.27Å; Y220-V222 PolarHBondContact O-N 3.39Å; V222-V243 HydrophobicContact CG2-CG1 3.63Å; V222-S244 WeakPolarHBondContact CG2-O 3.3Å; V222-I245 HydrophobicContact CB-CG1 4.49Å; V222-I245 HydrophobicContact CG1-CG1 4.12Å; V222-P445 HydrophobicContact CG1-CG 4.1Å
223T92.6Very high94.3Very high7 Ų732.7 Ų32.74%0.04317%0.165CC..Hα-helixtrans-118.9-27.6-177.858.30000114.8L219 Y220 D225 K228 M246 A250L219-T223 HydrophobicContact CD1-CG2 3.97Å; L219-T223 HydrophobicContact CG-CG2 4.5Å; L219-T223 WeakPolarHBondContact O-CB 3.31Å; L219-T223 WeakPolarHBondContact O-CG2 3.28Å; L219-T223 PolarHBondContact O-N 3.46Å; L219-T223 VanDerWaalsContact O-N 3.11Å; L219-T223 PolarHBondContact O-OG1 3.21Å; Y220-T223 PolarHBondContact O-N 3.3Å; T223-D225 PolarHBondContact O-N 2.9Å; T223-D225 VanDerWaalsContact O-N 3.09Å; T223-K228 HydrophobicContact CG2-CD 3.8Å; T223-K228 HydrophobicContact CG2-CG 4.48Å; T223-M246 HydrophobicContact CG2-CE 4.05Å; T223-A250 CarbonylContact C-O 3.31Å; T223-A250 WeakPolarHBondContact CA-O 3.15Å
224T94.8Very high94.2Very high6 Ų634.4 Ų34.44%0.03717%0.173CC..  trans48.531.7-171.4-42.20000112.7R82 Y220 A250R82-T224 HydrophobicContact CG-CG2 4.41Å; Y220-T224 HydrophobicContact CE1-CG2 4.43Å; Y220-T224 WeakPolarHBondContact O-CA 3.31Å; Y220-T224 PolarHBondContact O-N 2.82Å; Y220-T224 WeakPolarHBondContact OH-CG2 3.43Å; T224-A250 WeakPolarHBondContact CB-O 3.38Å; T224-A250 PolarHBondContact N-O 3.41Å; T224-A250 VanDerWaalsContact N-O 3.11Å; T224-A250 PolarHBondContact OG1-O 2.92Å
225D94Very high94Very high62 Ų6233.5 Ų33.533%0.33216%0.163SC..  trans-129.5111.1-172.8-178.9-14.5000109.7T223 E227 K228 V229T223-D225 PolarHBondContact O-N 2.9Å; T223-D225 VanDerWaalsContact O-N 3.09Å; D225-E227 WeakPolarHBondContact OD1-CA 3.49Å; D225-E227 WeakPolarHBondContact OD1-CB 3.48Å; D225-E227 PolarHBondContact OD1-N 3.08Å; D225-K228 HydrophobicContact CB-CB 3.95Å; D225-K228 PolarHBondContact OD1-N 2.8Å; D225-K228 WeakPolarHBondContact OD2-CB 3.47Å; D225-V229 VanDerWaalsContact O-CG2 3.24Å; D225-V229 WeakPolarHBondContact O-CG2 3.35Å; D225-V229 PolarHBondContact O-N 2.86Å
226L94.8Very high93.9Very high7 Ų735.1 Ų35.14%0.03718%0.175CC..Hα-helixtrans-70-32.4179.3-73.4-177.2000112.8M73 R74 L77 L80 F209 Y220 V229 C230M73-L226 HydrophobicContact CG-CD1 4.4Å; M73-L226 HydrophobicContact CG-CD2 4.24Å; R74-L226 HydrophobicContact CB-CD1 4.39Å; L77-L226 HydrophobicContact CB-CD1 4.41Å; L80-L226 HydrophobicContact CB-CD1 3.86Å; L80-L226 HydrophobicContact CB-CD2 4.22Å; L80-L226 HydrophobicContact CB-CG 4.07Å; L80-L226 HydrophobicContact CD1-CD2 4.17Å; F209-L226 HydrophobicContact CE1-CD2 3.9Å; F209-L226 HydrophobicContact CZ-CD2 3.89Å; Y220-L226 HydrophobicContact CD2-CD2 3.85Å; Y220-L226 HydrophobicContact CD2-CG 4.5Å; Y220-L226 HydrophobicContact CE2-CD2 3.71Å; Y220-L226 HydrophobicContact CE2-CG 3.99Å; L226-V229 PolarHBondContact O-N 2.84Å; L226-C230 WeakPolarHBondContact O-CB 3.46Å; L226-C230 PolarHBondContact O-N 2.85Å; L226-C230 PolarHBondContact O-SG 3.22Å
227E94.8Very high93.7Very high81 Ų8140.6 Ų40.638%0.37921%0.209SC..Hα-helixtrans-67.5-48.3-180-171.4-173.2171.400109.6H70 D225 V229 C230 R231H70-E227 HydrophobicContact CB-CB 4.47Å; H70-E227 HydrophobicContact CB-CG 4.31Å; H70-E227 PolarHBondContact CD2-N 3.34Å; D225-E227 WeakPolarHBondContact OD1-CA 3.49Å; D225-E227 WeakPolarHBondContact OD1-CB 3.48Å; D225-E227 PolarHBondContact OD1-N 3.08Å; E227-V229 VanDerWaalsContact C-N 3.3Å; E227-V229 PolarHBondContact O-N 3.02Å; E227-C230 PolarHBondContact O-N 3.04Å; E227-R231 VanDerWaalsContact O-CB 3.26Å; E227-R231 WeakPolarHBondContact O-CB 2.95Å; E227-R231 PolarHBondContact O-N 3.32Å
228K93Very high93.5Very high35 Ų3543.2 Ų43.215%0.15222%0.221CC..Hα-helixtrans-59-41.7176.4-170.6166.4176.4176.90111.7T223 D225 Q232 S249T223-K228 HydrophobicContact CG2-CD 3.8Å; T223-K228 HydrophobicContact CG2-CG 4.48Å; D225-K228 HydrophobicContact CB-CB 3.95Å; D225-K228 PolarHBondContact OD1-N 2.8Å; D225-K228 WeakPolarHBondContact OD2-CB 3.47Å; K228-Q232 HydrophobicContact CG-CG 4.33Å; K228-Q232 WeakPolarHBondContact O-CB 3.27Å; K228-Q232 WeakPolarHBondContact O-CG 3.08Å; K228-Q232 PolarHBondContact O-N 3.14Å; K228-S249 PolarHBondContact NZ-OG 3.03Å
229V94.9Very high93.3Very high0 Ų041.1 Ų41.10%022%0.219CC..Hα-helixtrans-62.4-49.4174.5170.40000111.7F212 A216 L219 Y220 D225 L226 E227 R231 L233F212-V229 HydrophobicContact CE1-CG1 4.37Å; A216-V229 HydrophobicContact CB-CG1 3.89Å; L219-V229 HydrophobicContact CB-CG2 4.24Å; L219-V229 HydrophobicContact CD2-CB 4.41Å; L219-V229 HydrophobicContact CD2-CG2 3.99Å; L219-V229 HydrophobicContact CG-CG2 3.9Å; Y220-V229 HydrophobicContact CD2-CG2 4.24Å; D225-V229 VanDerWaalsContact O-CG2 3.24Å; D225-V229 WeakPolarHBondContact O-CG2 3.35Å; D225-V229 PolarHBondContact O-N 2.86Å; L226-V229 PolarHBondContact O-N 2.84Å; E227-V229 VanDerWaalsContact C-N 3.3Å; E227-V229 PolarHBondContact O-N 3.02Å; V229-R231 VanDerWaalsContact C-N 3.28Å; V229-R231 PolarHBondContact O-N 3.33Å; V229-L233 HydrophobicContact CG1-CD1 4.41Å; V229-L233 WeakPolarHBondContact O-CB 3.49Å; V229-L233 PolarHBondContact O-N 3.25Å
230C95.7Very high93Very high0 Ų043.8 Ų43.80%023%0.233CC..Hα-helixtrans-66.7-30.9-177.9-67.50000112.9H70 F212 L226 E227H70-C230 HydrophobicContact CB-CB 3.96Å; F212-C230 HydrophobicContact CZ-CB 4.31Å; L226-C230 WeakPolarHBondContact O-CB 3.46Å; L226-C230 PolarHBondContact O-N 2.85Å; L226-C230 PolarHBondContact O-SG 3.22Å; E227-C230 PolarHBondContact O-N 3.04Å
231R93.4Very high92.3Very high126 Ų12650.1 Ų50.148%0.47528%0.277SS..Hα-helixtrans-80.5-46.2-179.6-170.7-179.365.380.9-3.3112.4E227 V229E227-R231 VanDerWaalsContact O-CB 3.26Å; E227-R231 WeakPolarHBondContact O-CB 2.95Å; E227-R231 PolarHBondContact O-N 3.32Å; V229-R231 VanDerWaalsContact C-N 3.28Å; V229-R231 PolarHBondContact O-N 3.33Å
232Q92.6Very high91.6Very high71 Ų7153.5 Ų53.533%0.33230%0.295SS..Hα-helixtrans-74.8-32.6-177.9-68.6-172.9-600112.8L219 K228L219-Q232 HydrophobicContact CD2-CB 4.14Å; K228-Q232 HydrophobicContact CG-CG 4.33Å; K228-Q232 WeakPolarHBondContact O-CB 3.27Å; K228-Q232 WeakPolarHBondContact O-CG 3.08Å; K228-Q232 PolarHBondContact O-N 3.14Å
233L94.3Very high91.2Very high1 Ų154.2 Ų54.21%0.00530%0.3CS..THydrogen-bonded Turntrans-108.336.4-177.9-58.7177.5000111.8F212 H213 D215 A216 L219 V229 L240F212-L233 HydrophobicContact CE1-CB 4.17Å; F212-L233 WeakPolarHBondContact CE1-O 3.38Å; H213-L233 HydrophobicContact CB-CB 3.96Å; H213-L233 HydrophobicContact CB-CD1 4.14Å; D215-L233 HydrophobicContact CB-CD1 4.07Å; D215-L233 HydrophobicContact CB-CD2 4.29Å; A216-L233 VanDerWaalsContact CA-CD1 3.44Å; A216-L233 HydrophobicContact CB-CD1 4Å; L219-L233 HydrophobicContact CB-CD1 4.18Å; L219-L233 HydrophobicContact CD2-CD1 3.7Å; L219-L233 HydrophobicContact CD2-CG 3.81Å; V229-L233 HydrophobicContact CG1-CD1 4.41Å; V229-L233 WeakPolarHBondContact O-CB 3.49Å; V229-L233 PolarHBondContact O-N 3.25Å; L233-L240 HydrophobicContact CD2-CD1 3.67Å; L233-L240 HydrophobicContact CD2-CG 3.67Å; L233-L240 HydrophobicContact CG-CD1 4.31Å
234H92.9Very high91.1Very high38 Ų3854.4 Ų54.418%0.17630%0.301CS..  trans-61-50.8179.5179.781000111.1R52 H55R52-H234 PolarHBondContact NE-O 3.36Å; R52-H234 VanDerWaalsContact NE-O 3.08Å; R52-H234 PolarHBondContact NH2-O 3.12Å; R52-H234 VanDerWaalsContact NH2-O 3.13Å; H55-H234 AromaticContact CD2-CE1 3.63Å; H55-H234 AromaticContact CE1-CE1 3.42Å; H55-H234 PolarHBondContact CE1-CE1 3.22Å; H55-H234 VanDerWaalsContact CE1-CE1 3.42Å; H55-H234 AromaticContact CE1-NE2 3.38Å; H55-H234 PolarHBondContact CE1-NE2 2.94Å; H55-H234 AromaticContact CG-CE1 3.46Å; H55-H234 VanDerWaalsContact CG-CE1 3.46Å; H55-H234 AromaticContact CG-NE2 3.76Å; H55-H234 AromaticContact ND1-CE1 3.36Å; H55-H234 PolarHBondContact ND1-CE1 3.2Å; H55-H234 AromaticContact ND1-NE2 3.2Å; H55-H234 PolarHBondContact ND1-NE2 3.36Å; H55-H234 VanDerWaalsContact ND1-NE2 3.2Å; H55-H234 AromaticContact NE2-CE1 3.58Å
235D89.9Confident91.1Very high69 Ų6954.8 Ų54.837%0.36930%0.303SS..SBendtrans-77.2119175.3-172.2-26000110.1H213 T237 V238H213-D235 PolarHBondContact CD2-O 3.3Å; H213-D235 VanDerWaalsContact CD2-O 3.28Å; H213-D235 PolarHBondContact NE2-O 3.4Å; D235-T237 PolarHBondContact O-N 3Å; D235-T237 WeakPolarHBondContact OD1-CB 3.35Å; D235-T237 PolarHBondContact OD1-N 2.93Å; D235-T237 PolarHBondContact OD1-OG1 3.4Å; D235-T237 PolarHBondContact OD2-OG1 3.29Å; D235-V238 HydrophobicContact CB-CB 4.29Å; D235-V238 HydrophobicContact CB-CG2 4.09Å
236P91.7Very high91.1Very high59 Ų5954.8 Ų54.838%0.38330%0.302SS..THydrogen-bonded Turntrans-68.3-11.3179.628.5-33.7000114.9
237T91.6Very high91.1Very high115 Ų11556.3 Ų56.371%0.70631%0.31SS*.THydrogen-bonded Turntrans-98.9-14.1-17668.70000113.5D235D235-T237 PolarHBondContact O-N 3Å; D235-T237 WeakPolarHBondContact OD1-CB 3.35Å; D235-T237 PolarHBondContact OD1-N 2.93Å; D235-T237 PolarHBondContact OD1-OG1 3.4Å; D235-T237 PolarHBondContact OD2-OG1 3.29Å
238V90.5Very high91.2Very high83 Ų8355 Ų5550%0.50330%0.303SS..  trans-102.8103.2-176-1800000110.1H213 D235H213-V238 PolarHBondContact NE2-O 2.89Å; H213-V238 VanDerWaalsContact NE2-O 3.14Å; D235-V238 HydrophobicContact CB-CB 4.29Å; D235-V238 HydrophobicContact CB-CG2 4.09Å
239S87.9Confident91.3Very high68 Ų6854.3 Ų54.348%0.47630%0.302SS..  trans-80.3150.9174.1-84.50000113.2D215D215-S239 WeakPolarHBondContact OD2-CA 3.45Å; D215-S239 WeakPolarHBondContact OD2-CB 3.37Å; D215-S239 PolarHBondContact OD2-OG 3.11Å
240L88.2Confident91.3Very high59 Ų5954.7 Ų54.731%0.30931%0.306SS..  trans-83.8136174.2-66.3174.3000110.5D215 L219 L233 V243D215-L240 PolarHBondContact OD2-N 2.83Å; D215-L240 VanDerWaalsContact OD2-N 3.08Å; L219-L240 HydrophobicContact CD1-CD1 4.08Å; L219-L240 HydrophobicContact CD2-CD1 3.78Å; L219-L240 HydrophobicContact CG-CD1 4.4Å; L233-L240 HydrophobicContact CD2-CD1 3.67Å; L233-L240 HydrophobicContact CD2-CG 3.67Å; L233-L240 HydrophobicContact CG-CD1 4.31Å; L240-V243 HydrophobicContact CB-CG2 3.72Å; L240-V243 HydrophobicContact CD1-CG2 4.08Å
241S80.5Confident91.4Very high134 Ų13454.7 Ų54.794%0.93731%0.306SS*.SBendtrans-75.8-33.8-174.7-30.30000113.6
242D81.2Confident91.5Very high96 Ų9649.7 Ų49.751%0.51329%0.287SS..  trans-14395.4-177.4-179.419.5000110.2S244 K381D242-S244 PolarHBondContact O-N 3.38Å; D242-K381 IonicContact OD2-NZ 2.68Å; D242-K381 PolarHBondContact OD2-NZ 3.41Å
243V86.7Confident91.7Very high21 Ų2146.6 Ų46.613%0.12727%0.273CS..  trans-92.696.9174.4-1770000108.8E218 L219 V222 L240E218-V243 HydrophobicContact CB-CG1 4.35Å; E218-V243 HydrophobicContact CG-CB 4.19Å; E218-V243 HydrophobicContact CG-CG1 3.82Å; L219-V243 HydrophobicContact CB-CG1 4.16Å; L219-V243 HydrophobicContact CD1-CG1 4.15Å; V222-V243 HydrophobicContact CG2-CG1 3.63Å; L240-V243 HydrophobicContact CB-CG2 3.72Å; L240-V243 HydrophobicContact CD1-CG2 4.08Å
244S90.3Very high91.8Very high12 Ų1246.7 Ų46.78%0.08427%0.274CS..  trans-127168.5-17880.40000112.7V222 D242 M246 K381V222-S244 WeakPolarHBondContact CG2-O 3.3Å; D242-S244 PolarHBondContact O-N 3.38Å; S244-M246 PolarHBondContact O-N 2.89Å; S244-K381 VanDerWaalsContact OG-CD 3.3Å; S244-K381 WeakPolarHBondContact OG-CD 3.48Å; S244-K381 WeakPolarHBondContact OG-CE 3.42Å; S244-K381 PolarHBondContact OG-NZ 2.62Å
245I94.2Very high92Very high14 Ų1446.1 Ų46.17%0.07227%0.272CS..  trans-61136.8168-61.9170.2000109.2V222 F251 I332 L375 Y443 P445V222-I245 HydrophobicContact CB-CG1 4.49Å; V222-I245 HydrophobicContact CG1-CG1 4.12Å; I245-F251 HydrophobicContact CD1-CD1 4.4Å; I245-F251 HydrophobicContact CD1-CD2 4.18Å; I245-F251 HydrophobicContact CD1-CG 4.1Å; I245-F251 HydrophobicContact CG1-CB 4.16Å; I245-F251 HydrophobicContact CG1-CD1 4.45Å; I245-F251 HydrophobicContact CG1-CG 4.17Å; I245-F251 HydrophobicContact CG2-CD1 3.71Å; I245-F251 HydrophobicContact CG2-CE1 4.24Å; I245-F251 HydrophobicContact CG2-CG 4.27Å; I245-I332 HydrophobicContact CG2-CD1 3.73Å; I245-L375 HydrophobicContact CD1-CB 4.21Å; I245-L375 HydrophobicContact CD1-CD1 3.58Å; I245-L375 HydrophobicContact CD1-CG 4.34Å; I245-Y443 HydrophobicContact CD1-CD1 4.13Å; I245-Y443 HydrophobicContact CD1-CE1 4.34Å; I245-P445 HydrophobicContact CD1-CG 4.22Å; I245-P445 HydrophobicContact CG1-CG 4.38Å
246M93.4Very high92.3Very high62 Ų6243.3 Ų43.331%0.30526%0.259SS..  trans-124.5150179.9-74.2-179.6-8500110.7T223 S244 S249T223-M246 HydrophobicContact CG2-CE 4.05Å; S244-M246 PolarHBondContact O-N 2.89Å; M246-S249 PolarHBondContact O-N 3.49Å
247L95.9Very high92.5Very high38 Ų3841.6 Ų41.620%0.19925%0.249CC..THydrogen-bonded Turntrans-57.5140.7173.4-170.864.7000110.9S249 H287 D289 N330 I332 M376L247-S249 PolarHBondContact O-N 2.93Å; L247-H287 HydrophobicContact CD1-CB 4.2Å; L247-D289 HydrophobicContact CD2-CB 4.01Å; L247-N330 HydrophobicContact CD2-CB 4.16Å; L247-I332 HydrophobicContact CD1-CG1 4.15Å; L247-M376 HydrophobicContact CB-SD 4.12Å
248F96Very high92.6Very high53 Ų5340.6 Ų40.623%0.23224%0.239CC..THydrogen-bonded Turntrans53.712.1-175.8-55.1-47.2000117.6H287 D289 V292 K294F248-H287 HydrophobicContact CD1-CB 3.65Å; F248-H287 HydrophobicContact CE1-CB 3.93Å; F248-H287 PolarHBondContact N-ND1 3.34Å; F248-D289 HydrophobicContact CE2-CB 3.75Å; F248-D289 HydrophobicContact CZ-CB 3.47Å; F248-D289 VanDerWaalsContact CZ-CB 3.47Å; F248-V292 HydrophobicContact CE1-CG1 4.16Å; F248-V292 HydrophobicContact CE2-CG1 4.35Å; F248-V292 HydrophobicContact CZ-CB 4.05Å; F248-V292 HydrophobicContact CZ-CG1 3.71Å; F248-K294 HydrophobicContact CB-CD 4.07Å; F248-K294 HydrophobicContact CD1-CB 3.94Å; F248-K294 HydrophobicContact CD1-CD 3.83Å; F248-K294 HydrophobicContact CD1-CG 3.68Å; F248-K294 HydrophobicContact CE1-CB 4.4Å; F248-K294 HydrophobicContact CE1-CG 4.11Å; F248-K294 HydrophobicContact CG-CD 4.2Å
249S94.9Very high92.6Very high21 Ų2137.1 Ų37.115%0.14722%0.219CC..SBendtrans-104.6126.4171.1-61.30000109.7K228 M246 L247 F251 H287K228-S249 PolarHBondContact NZ-OG 3.03Å; M246-S249 PolarHBondContact O-N 3.49Å; L247-S249 PolarHBondContact O-N 2.93Å; S249-F251 PolarHBondContact O-N 3.18Å; S249-H287 PolarHBondContact O-CE1 2.96Å
250A96.1Very high92.6Very high8 Ų837.3 Ų37.37%0.06621%0.214CC..PPolyproline II helixtrans-72.1119.6-177.200000111.1T223 T224 Q285 F296T223-A250 CarbonylContact C-O 3.31Å; T223-A250 WeakPolarHBondContact CA-O 3.15Å; T224-A250 WeakPolarHBondContact CB-O 3.38Å; T224-A250 PolarHBondContact N-O 3.41Å; T224-A250 VanDerWaalsContact N-O 3.11Å; T224-A250 PolarHBondContact OG1-O 2.92Å; A250-Q285 VanDerWaalsContact CA-OE1 3.23Å; A250-F296 HydrophobicContact CB-CB 3.96Å; A250-F296 HydrophobicContact CB-CD1 3.76Å; A250-F296 HydrophobicContact CB-CD2 3.9Å; A250-F296 HydrophobicContact CB-CE1 4.17Å; A250-F296 HydrophobicContact CB-CE2 4.3Å; A250-F296 HydrophobicContact CB-CG 3.6Å; A250-F296 HydrophobicContact CB-CZ 4.41Å
251F96.3Very high92.7Very high0 Ų035 Ų350%020%0.202CC..PPolyproline II helixtrans-100.6153.6174.164.4-86.2000110.7N221 I245 S249 P253 Q285 H287 I332 L375 Y443N221-F251 CarbonylContact O-C 3.51Å; N221-F251 WeakPolarHBondContact O-CA 3.49Å; I245-F251 HydrophobicContact CD1-CD1 4.4Å; I245-F251 HydrophobicContact CD1-CD2 4.18Å; I245-F251 HydrophobicContact CD1-CG 4.1Å; I245-F251 HydrophobicContact CG1-CB 4.16Å; I245-F251 HydrophobicContact CG1-CD1 4.45Å; I245-F251 HydrophobicContact CG1-CG 4.17Å; I245-F251 HydrophobicContact CG2-CD1 3.71Å; I245-F251 HydrophobicContact CG2-CE1 4.24Å; I245-F251 HydrophobicContact CG2-CG 4.27Å; S249-F251 PolarHBondContact O-N 3.18Å; F251-P253 WeakPolarHBondContact O-CD 3.44Å; F251-Q285 HydrophobicContact CE1-CB 3.89Å; F251-Q285 HydrophobicContact CE1-CG 4.02Å; F251-Q285 VanDerWaalsContact CE1-NE2 3.29Å; F251-Q285 HydrophobicContact CZ-CB 3.73Å; F251-Q285 HydrophobicContact CZ-CG 4.24Å; F251-Q285 PolarHBondContact O-NE2 3.42Å; F251-H287 AromaticContact CE1-NE2 3.85Å; F251-I332 HydrophobicContact CE1-CG2 3.66Å; F251-I332 HydrophobicContact CZ-CG2 4.3Å; F251-L375 HydrophobicContact CD2-CD1 4.21Å; F251-L375 HydrophobicContact CE1-CD1 3.8Å; F251-L375 HydrophobicContact CE2-CD1 3.41Å; F251-L375 VanDerWaalsContact CE2-CD1 3.41Å; F251-L375 HydrophobicContact CZ-CD1 3.17Å; F251-Y443 HydrophobicContact CD2-CE1 4.14Å; F251-Y443 AromaticContact CE2-CE1 3.93Å; F251-Y443 HydrophobicContact CE2-CE1 3.93Å; F251-Y443 AromaticContact CE2-CZ 3.93Å; F251-Y443 WeakPolarHBondContact CE2-OH 3.48Å
252K96Very high93Very high22 Ų2233.9 Ų33.910%0.09618%0.182CC..PPolyproline II helixtrans-75.7120.2171.7-72-171.2-174.9162.50110.1Y220 N221 P445 D446Y220-K252 VanDerWaalsContact CE1-CE 3.41Å; N221-K252 PolarHBondContact O-N 2.68Å; N221-K252 PolarHBondContact OD1-NZ 3.41Å; K252-P445 VanDerWaalsContact O-CA 3.25Å; K252-P445 WeakPolarHBondContact O-CA 3.31Å; K252-P445 WeakPolarHBondContact O-CB 3.37Å; K252-D446 HydrophobicContact CB-CB 3.82Å; K252-D446 HydrophobicContact CD-CB 3.61Å; K252-D446 VanDerWaalsContact CD-OD2 3.28Å; K252-D446 WeakPolarHBondContact CD-OD2 2.72Å; K252-D446 HydrophobicContact CG-CB 4.45Å; K252-D446 IonicContact NZ-OD2 2.77Å; K252-D446 PolarHBondContact NZ-OD2 3.12Å; K252-D446 PolarHBondContact O-N 3.47Å
253P96.7Very high93.4Very high5 Ų534.1 Ų34.13%0.03218%0.181CC..PPolyproline II helixtrans-61.6149.9-178-23.534.1000112.9F251 R283 R298 Y443 D446F251-P253 WeakPolarHBondContact O-CD 3.44Å; P253-R283 HydrophobicContact CB-CG 4.36Å; P253-R283 HydrophobicContact CG-CG 4.18Å; P253-R298 WeakPolarHBondContact CD-O 3.45Å; P253-Y443 VanDerWaalsContact CA-OH 3.27Å; P253-Y443 WeakPolarHBondContact CA-OH 3.1Å; P253-D446 PolarHBondContact O-N 3.15Å
254M96.8Very high93.7Very high3 Ų333.2 Ų33.22%0.01518%0.175CC..PPolyproline II helixtrans-62.6143170.4-173.8172178.300110.6Y443 K444 E450 W452M254-Y443 HydrophobicContact CB-CD1 4.38Å; M254-Y443 HydrophobicContact CB-CD2 4.23Å; M254-Y443 HydrophobicContact CB-CE1 3.91Å; M254-Y443 HydrophobicContact CB-CE2 3.8Å; M254-Y443 PolarHBondContact N-OH 3.41Å; M254-Y443 HydrophobicContact SD-CD2 4.28Å; M254-Y443 HydrophobicContact SD-CG 4.46Å; M254-K444 WeakPolarHBondContact CG-O 3.41Å; M254-K444 PolarHBondContact SD-N 2.81Å; M254-K444 VanDerWaalsContact SD-N 3.45Å; M254-E450 HydrophobicContact CE-CB 4.16Å; M254-E450 WeakPolarHBondContact CE-O 3.29Å; M254-W452 HydrophobicContact CB-CE3 4.33Å; M254-W452 HydrophobicContact CB-CH2 4.44Å; M254-W452 HydrophobicContact CB-CZ3 4.16Å; M254-W452 HydrophobicContact CE-CB 4.4Å; M254-W452 HydrophobicContact CE-CD2 4.3Å; M254-W452 HydrophobicContact CE-CG 3.93Å; M254-W452 HydrophobicContact CG-CD2 4.21Å; M254-W452 HydrophobicContact CG-CE3 4.16Å; M254-W452 HydrophobicContact CG-CZ3 4.47Å; M254-W452 HydrophobicContact SD-CD2 4.05Å; M254-W452 HydrophobicContact SD-CG 4.32Å; M254-W452 HydrophobicContact SD-CZ2 4.31Å
255L96.5Very high93.8Very high26 Ų2636.2 Ų36.214%0.13619%0.188CC..EExtended strand (participates in β ladder)trans-117.1148.2-172.4-56.1179.4000111.8R298 K447 R448 G449L255-R298 VanDerWaalsContact CD2-NH2 3.34Å; L255-K447 WeakPolarHBondContact CA-O 3.21Å; L255-K447 WeakPolarHBondContact CB-O 3.34Å; L255-K447 PolarHBondContact N-O 3.23Å; L255-R448 HydrophobicContact CB-CB 4.16Å; L255-R448 HydrophobicContact CB-CG 4.37Å; L255-R448 WeakPolarHBondContact O-CA 3.21Å; L255-G449 PolarHBondContact O-N 3.44Å
256A96Very high93.7Very high11 Ų1142.8 Ų42.89%0.09122%0.216CC..EExtended strand (participates in β ladder)trans-89.5138.6173.900000113.3M435 R448 W452 K454A256-M435 HydrophobicContact CB-CE 3.56Å; A256-M435 HydrophobicContact CB-SD 4.47Å; A256-R448 WeakPolarHBondContact O-CG 3.43Å; A256-R448 PolarHBondContact O-NH1 3.31Å; A256-W452 VanDerWaalsContact CA-O 3.23Å; A256-W452 WeakPolarHBondContact CA-O 3.46Å; A256-W452 HydrophobicContact CB-CB 4.22Å; A256-K454 HydrophobicContact CB-CB 3.95Å; A256-K454 HydrophobicContact CB-CD 4.4Å; A256-K454 HydrophobicContact CB-CG 3.88Å
257A95.8Very high93.6Very high22 Ų2243.4 Ų43.418%0.18222%0.218CC..EExtended strand (participates in β ladder)trans-81158.716600000110.9A259 R448 W452 L453 K454A257-A259 PolarHBondContact O-N 3Å; A257-R448 HydrophobicContact CB-CG 4.07Å; A257-W452 PolarHBondContact N-O 3.4Å; A257-L453 HydrophobicContact CB-CD2 3.85Å; A257-L453 CarbonylContact O-C 3.39Å; A257-L453 WeakPolarHBondContact O-CA 3.47Å; A257-K454 VanDerWaalsContact O-CG 3.29Å; A257-K454 WeakPolarHBondContact O-CG 3.43Å; A257-K454 PolarHBondContact O-N 3.18Å
258I94.3Very high93.4Very high95 Ų9542 Ų4249%0.48721%0.21SC..EExtended strand (participates in β ladder)trans-75.2126.1172.5-62.9171.5000107Y459I258-Y459 HydrophobicContact CD1-CE1 4.15Å; I258-Y459 HydrophobicContact CD1-CE2 4.24Å; I258-Y459 HydrophobicContact CG1-CD2 4.31Å; I258-Y459 HydrophobicContact CG1-CE2 3.88Å; I258-Y459 HydrophobicContact CG2-CD2 3.59Å; I258-Y459 HydrophobicContact CG2-CE2 4.05Å; I258-Y459 HydrophobicContact CG2-CG 3.9Å
259A91.6Very high93.1Very high10 Ų1044.4 Ų44.48%0.08323%0.226CC..PPolyproline II helixtrans-85.8151.117700000111.3A257 I264 L453 K454 I455A257-A259 PolarHBondContact O-N 3Å; A259-I264 HydrophobicContact CB-CD1 3.88Å; A259-L453 HydrophobicContact CB-CB 3.75Å; A259-L453 HydrophobicContact CB-CD1 3.93Å; A259-L453 HydrophobicContact CB-CG 4.32Å; A259-K454 PolarHBondContact N-O 2.84Å; A259-K454 VanDerWaalsContact N-O 3.11Å; A259-I455 HydrophobicContact CB-CD1 3.97Å; A259-I455 HydrophobicContact CB-CG1 3.47Å; A259-I455 VanDerWaalsContact CB-CG1 3.47Å
260D88.1Confident92.8Very high72 Ų7249.3 Ų49.339%0.38525%0.25SC..  trans-97.9114.7162.7-179.1-3.1000107.5Q262 Q263 I264D260-Q262 PolarHBondContact O-N 3.25Å; D260-Q262 VanDerWaalsContact O-N 3.16Å; D260-Q262 PolarHBondContact OD1-N 3.4Å; D260-Q263 HydrophobicContact CB-CB 4.41Å; D260-Q263 CarbonylContact O-C 3.53Å; D260-Q263 PolarHBondContact O-N 2.87Å; D260-I264 PolarHBondContact O-N 3.07Å; D260-I264 VanDerWaalsContact O-N 3.16Å
261V88.8Confident92.6Very high10 Ų1055 Ų556%0.06128%0.275CS..G310 helixtrans-56.4-33.7-177.5-175.30000111Q263 I264 I420 I455 V460 L620V261-Q263 VanDerWaalsContact C-N 3.28Å; V261-Q263 PolarHBondContact O-N 3.13Å; V261-I264 WeakPolarHBondContact O-CG2 3.49Å; V261-I420 HydrophobicContact CG1-CD1 4.47Å; V261-I420 HydrophobicContact CG1-CG1 3.88Å; V261-I455 HydrophobicContact CG2-CD1 4.23Å; V261-I455 HydrophobicContact CG2-CG1 4.48Å; V261-I455 HydrophobicContact CG2-CG2 3.63Å; V261-V460 HydrophobicContact CG2-CG2 4.25Å; V261-L620 HydrophobicContact CG1-CD2 4.15Å
262Q87.6Confident92.5Very high111 Ų11158.2 Ų58.252%0.51929%0.291SS..G310 helixtrans-72.2-22.8-178.9-61.1-59.2-1800113.2D260D260-Q262 PolarHBondContact O-N 3.25Å; D260-Q262 VanDerWaalsContact O-N 3.16Å; D260-Q262 PolarHBondContact OD1-N 3.4Å
263Q90.2Very high92.6Very high101 Ų10157.1 Ų57.147%0.47229%0.287SS..G310 helixtrans-112.113-178.1-59.1-169.81.800112.5D260 V261 E265 K266 Q267D260-Q263 HydrophobicContact CB-CB 4.41Å; D260-Q263 CarbonylContact O-C 3.53Å; D260-Q263 PolarHBondContact O-N 2.87Å; V261-Q263 VanDerWaalsContact C-N 3.28Å; V261-Q263 PolarHBondContact O-N 3.13Å; Q263-E265 VanDerWaalsContact C-N 3.31Å; Q263-E265 PolarHBondContact O-N 3.47Å; Q263-K266 PolarHBondContact O-N 3.45Å; Q263-K266 VanDerWaalsContact O-N 3.13Å; Q263-Q267 HydrophobicContact CB-CG 4.4Å; Q263-Q267 WeakPolarHBondContact O-CG 3.35Å; Q263-Q267 PolarHBondContact O-N 3.34Å
264I92Very high92.7Very high1 Ų158.5 Ų58.51%0.00529%0.292CS..Hα-helixtrans-60.1-39.8-169.3-165.759.4000112.8A259 D260 V261 Q267 M268 R416 V419 V436 L453 I455A259-I264 HydrophobicContact CB-CD1 3.88Å; D260-I264 PolarHBondContact O-N 3.07Å; D260-I264 VanDerWaalsContact O-N 3.16Å; V261-I264 WeakPolarHBondContact O-CG2 3.49Å; I264-Q267 PolarHBondContact O-N 3.48Å; I264-M268 WeakPolarHBondContact O-CB 3.29Å; I264-M268 WeakPolarHBondContact O-CG 3.26Å; I264-M268 PolarHBondContact O-N 3.34Å; I264-R416 HydrophobicContact CG2-CB 4.24Å; I264-R416 HydrophobicContact CG2-CG 4.43Å; I264-V419 HydrophobicContact CG1-CG1 4.46Å; I264-V419 HydrophobicContact CG1-CG2 4.21Å; I264-V419 HydrophobicContact CG2-CB 4.48Å; I264-V419 HydrophobicContact CG2-CG2 4.15Å; I264-V436 HydrophobicContact CD1-CB 4.3Å; I264-V436 HydrophobicContact CD1-CG1 4.18Å; I264-V436 HydrophobicContact CD1-CG2 4.3Å; I264-V436 HydrophobicContact CG1-CG1 4.38Å; I264-L453 HydrophobicContact CD1-CD1 3.7Å; I264-I455 HydrophobicContact CD1-CD1 4.21Å
265E92.8Very high92.7Very high76 Ų7658.8 Ų58.836%0.35529%0.293SS..Hα-helixtrans-61.6-47.7177.7-61.8178.4-17200110.7Q263 Q267 M268 N269 N270 T415 R416Q263-E265 VanDerWaalsContact C-N 3.31Å; Q263-E265 PolarHBondContact O-N 3.47Å; E265-Q267 PolarHBondContact O-N 3.08Å; E265-M268 CarbonylContact O-C 3.42Å; E265-M268 VanDerWaalsContact O-C 3.31Å; E265-M268 PolarHBondContact O-N 3.29Å; E265-M268 VanDerWaalsContact O-N 3.12Å; E265-N269 PolarHBondContact O-N 2.87Å; E265-N270 VanDerWaalsContact C-OD1 3.28Å; E265-N270 PolarHBondContact O-N 2.83Å; E265-N270 PolarHBondContact O-OD1 2.88Å; E265-T415 WeakPolarHBondContact OE1-CA 3.46Å; E265-R416 HydrophobicContact CG-CB 4.47Å; E265-R416 WeakPolarHBondContact OE1-CB 3.19Å; E265-R416 PolarHBondContact OE1-N 2.76Å
266K92.4Very high92.7Very high152 Ų15257.8 Ų57.866%0.66129%0.288SS*.Hα-helixtrans-64-39.9176-174.8180179.5-179.70112Q263 M268 N269 N270Q263-K266 PolarHBondContact O-N 3.45Å; Q263-K266 VanDerWaalsContact O-N 3.13Å; K266-M268 PolarHBondContact O-N 3.28Å; K266-N269 PolarHBondContact O-N 3Å; K266-N269 VanDerWaalsContact O-N 3.09Å; K266-N270 PolarHBondContact N-OD1 2.77Å
267Q89.9Confident92.7Very high75 Ų7559.5 Ų59.535%0.3530%0.297SS..Hα-helixtrans-65.2-25.6176.4-71.2-177.4-3000112.3Q263 I264 E265 L453Q263-Q267 HydrophobicContact CB-CG 4.4Å; Q263-Q267 WeakPolarHBondContact O-CG 3.35Å; Q263-Q267 PolarHBondContact O-N 3.34Å; I264-Q267 PolarHBondContact O-N 3.48Å; E265-Q267 PolarHBondContact O-N 3.08Å; Q267-L453 HydrophobicContact CB-CD1 3.87Å
268M92Very high92.7Very high7 Ų760.2 Ų60.23%0.03430%0.296CS..THydrogen-bonded Turntrans-98.520.4174.2-66.5-71153.700112.4I264 E265 K266 N270 H271 F273 V436 D438 L453I264-M268 WeakPolarHBondContact O-CB 3.29Å; I264-M268 WeakPolarHBondContact O-CG 3.26Å; I264-M268 PolarHBondContact O-N 3.34Å; E265-M268 CarbonylContact O-C 3.42Å; E265-M268 VanDerWaalsContact O-C 3.31Å; E265-M268 PolarHBondContact O-N 3.29Å; E265-M268 VanDerWaalsContact O-N 3.12Å; K266-M268 PolarHBondContact O-N 3.28Å; M268-N270 PolarHBondContact O-N 2.84Å; M268-N270 VanDerWaalsContact O-N 3.12Å; M268-H271 PolarHBondContact O-N 2.78Å; M268-H271 VanDerWaalsContact O-N 3.11Å; M268-F273 HydrophobicContact CB-CB 4.24Å; M268-F273 HydrophobicContact CB-CD1 3.51Å; M268-F273 HydrophobicContact CB-CE1 4.23Å; M268-F273 HydrophobicContact CB-CG 4.17Å; M268-F273 HydrophobicContact CG-CB 3.87Å; M268-F273 HydrophobicContact CG-CD1 3.61Å; M268-F273 HydrophobicContact CG-CE1 4.35Å; M268-F273 HydrophobicContact CG-CG 3.83Å; M268-F273 HydrophobicContact SD-CB 3.71Å; M268-F273 HydrophobicContact SD-CG 4.31Å; M268-V436 HydrophobicContact CE-CB 4.05Å; M268-V436 HydrophobicContact CE-CG1 3.6Å; M268-V436 HydrophobicContact CG-CG1 4.15Å; M268-V436 HydrophobicContact SD-CG1 4.09Å; M268-D438 HydrophobicContact SD-CB 4.17Å; M268-L453 HydrophobicContact CE-CB 4.14Å; M268-L453 HydrophobicContact CE-CD1 3.3Å; M268-L453 HydrophobicContact CE-CG 3.56Å
269N89.6Confident92.6Very high105 Ų10557 Ų5756%0.56128%0.279SS*.THydrogen-bonded Turntrans5528.6177.8-60-45000114.3E265 K266 H271E265-N269 PolarHBondContact O-N 2.87Å; K266-N269 PolarHBondContact O-N 3Å; K266-N269 VanDerWaalsContact O-N 3.09Å; N269-H271 PolarHBondContact O-CD2 3.45Å; N269-H271 PolarHBondContact O-N 2.92Å
270N89.4Confident92.5Very high123 Ų12357.5 Ų57.566%0.65828%0.281SS*.THydrogen-bonded Turntrans55.127.7-176.2-55.3-31.1000113.9E265 K266 M268E265-N270 VanDerWaalsContact C-OD1 3.28Å; E265-N270 PolarHBondContact O-N 2.83Å; E265-N270 PolarHBondContact O-OD1 2.88Å; K266-N270 PolarHBondContact N-OD1 2.77Å; M268-N270 PolarHBondContact O-N 2.84Å; M268-N270 VanDerWaalsContact O-N 3.12Å
271H92.1Very high92.6Very high128 Ų12854.4 Ų54.459%0.59327%0.266SS*.SBendtrans-106.4175.2175.3-69.4-61.9000111.4M268 N269 F273M268-H271 PolarHBondContact O-N 2.78Å; M268-H271 VanDerWaalsContact O-N 3.11Å; N269-H271 PolarHBondContact O-CD2 3.45Å; N269-H271 PolarHBondContact O-N 2.92Å; H271-F273 WeakPolarHBondContact O-CD1 3.42Å
272I94.9Very high92.8Very high67 Ų6754.9 Ų54.934%0.34427%0.268SS..  trans-62.6139.3172.1-65.9162000109.1R414 P439I272-R414 HydrophobicContact CB-CG 4.4Å; I272-R414 HydrophobicContact CG1-CG 3.65Å; I272-P439 WeakPolarHBondContact O-CD 3.29Å; I272-P439 VanDerWaalsContact O-CG 3.28Å; I272-P439 WeakPolarHBondContact O-CG 3.21Å
273F97.1Very high93.1Very high0 Ų051.6 Ų51.60%025%0.251CS..EExtended strand (participates in β ladder)trans-128.6161.2170.850-96.8000111.9M268 H271 I275 A413 R414 V419 V436M268-F273 HydrophobicContact CB-CB 4.24Å; M268-F273 HydrophobicContact CB-CD1 3.51Å; M268-F273 HydrophobicContact CB-CE1 4.23Å; M268-F273 HydrophobicContact CB-CG 4.17Å; M268-F273 HydrophobicContact CG-CB 3.87Å; M268-F273 HydrophobicContact CG-CD1 3.61Å; M268-F273 HydrophobicContact CG-CE1 4.35Å; M268-F273 HydrophobicContact CG-CG 3.83Å; M268-F273 HydrophobicContact SD-CB 3.71Å; M268-F273 HydrophobicContact SD-CG 4.31Å; H271-F273 WeakPolarHBondContact O-CD1 3.42Å; F273-I275 HydrophobicContact CD2-CG1 4.11Å; F273-I275 HydrophobicContact CE2-CD1 4.14Å; F273-I275 HydrophobicContact CE2-CG1 4.07Å; F273-A413 HydrophobicContact CD2-CB 4.04Å; F273-A413 HydrophobicContact CE2-CB 3.53Å; F273-A413 HydrophobicContact CZ-CB 4.16Å; F273-A413 PolarHBondContact N-O 3.31Å; F273-A413 PolarHBondContact O-N 3.5Å; F273-R414 WeakPolarHBondContact CE1-O 3.33Å; F273-V419 HydrophobicContact CE2-CG2 3.42Å; F273-V419 VanDerWaalsContact CE2-CG2 3.42Å; F273-V419 HydrophobicContact CZ-CG2 3.65Å; F273-V436 HydrophobicContact CB-CG1 4.04Å; F273-V436 HydrophobicContact CD2-CG1 3.42Å; F273-V436 VanDerWaalsContact CD2-CG1 3.42Å; F273-V436 HydrophobicContact CE2-CG1 4.03Å; F273-V436 HydrophobicContact CG-CG1 3.83Å
274Y98Very high93.5Very high34 Ų3446.8 Ų46.813%0.13323%0.228CC..EExtended strand (participates in β ladder)trans-95.1137.3173.1-63.6-51.7000110.5L387 Y391 K410 T411 S412 V436 K437 P439Y274-L387 HydrophobicContact CD2-CD2 4.12Å; Y274-Y391 AromaticContact CD2-CD2 3.97Å; Y274-Y391 HydrophobicContact CD2-CD2 3.97Å; Y274-Y391 AromaticContact CD2-CE2 3.82Å; Y274-Y391 HydrophobicContact CD2-CE2 3.82Å; Y274-Y391 AromaticContact CE2-CD2 3.83Å; Y274-Y391 HydrophobicContact CE2-CD2 3.83Å; Y274-Y391 HydrophobicContact CE2-CE2 4.17Å; Y274-Y391 HydrophobicContact CG-CE2 4.49Å; Y274-K410 HydrophobicContact CD1-CD 4.32Å; Y274-K410 HydrophobicContact CE1-CD 4.43Å; Y274-K410 HydrophobicContact CG-CD 4.44Å; Y274-T411 CarbonylContact C-O 3.56Å; Y274-T411 VanDerWaalsContact CA-O 3.32Å; Y274-T411 WeakPolarHBondContact CA-O 3.49Å; Y274-S412 VanDerWaalsContact CE1-OG 3.32Å; Y274-S412 WeakPolarHBondContact CE1-OG 3.3Å; Y274-V436 CarbonylContact O-C 3.59Å; Y274-V436 VanDerWaalsContact O-CA 3.32Å; Y274-V436 WeakPolarHBondContact O-CA 3.28Å; Y274-K437 PolarHBondContact N-O 3.16Å; Y274-K437 PolarHBondContact O-N 3.17Å; Y274-P439 HydrophobicContact CD2-CB 4.09Å; Y274-P439 HydrophobicContact CD2-CG 3.84Å; Y274-P439 HydrophobicContact CE2-CB 3.52Å; Y274-P439 HydrophobicContact CE2-CG 3.68Å; Y274-P439 HydrophobicContact CG-CG 4.34Å
275I98Very high93.7Very high8 Ų846.8 Ų46.84%0.04123%0.228CC..EExtended strand (participates in β ladder)trans-108.1133.1168.3-55.5176.3000108.2F273 K410 T411 A413 V419 A422 I434 M435F273-I275 HydrophobicContact CD2-CG1 4.11Å; F273-I275 HydrophobicContact CE2-CD1 4.14Å; F273-I275 HydrophobicContact CE2-CG1 4.07Å; I275-K410 WeakPolarHBondContact O-CA 3.41Å; I275-T411 PolarHBondContact N-O 2.94Å; I275-T411 PolarHBondContact O-N 3.4Å; I275-T411 PolarHBondContact O-OG1 3.4Å; I275-A413 HydrophobicContact CD1-CB 3.49Å; I275-A413 VanDerWaalsContact CD1-CB 3.49Å; I275-A413 HydrophobicContact CG1-CB 3.96Å; I275-V419 HydrophobicContact CD1-CG2 3.91Å; I275-A422 HydrophobicContact CD1-CB 4.12Å; I275-A422 HydrophobicContact CG2-CB 3.85Å; I275-I434 HydrophobicContact CG2-CB 4.19Å; I275-I434 HydrophobicContact CG2-CD1 4.3Å; I275-I434 HydrophobicContact CG2-CG2 4.39Å; I275-M435 WeakPolarHBondContact CA-O 3.31Å
276E97.1Very high94Very high6 Ų643.2 Ų43.23%0.02821%0.212CC..EExtended strand (participates in β ladder)trans-134.4149.9175.4-71.6159.7-133.800110.1K278 Y391 V408 K410 I434 M435 K437E276-K278 PolarHBondContact O-N 3.16Å; E276-Y391 VanDerWaalsContact OE1-CZ 3.29Å; E276-Y391 PolarHBondContact OE1-OH 3.33Å; E276-Y391 PolarHBondContact OE2-OH 3.19Å; E276-V408 HydrophobicContact CB-CG1 4.15Å; E276-V408 HydrophobicContact CG-CG1 4.27Å; E276-K410 HydrophobicContact CG-CB 3.79Å; E276-I434 CarbonylContact O-C 3.56Å; E276-I434 WeakPolarHBondContact O-CA 3.4Å; E276-M435 HydrophobicContact CB-CB 4.27Å; E276-M435 PolarHBondContact N-O 3.14Å; E276-M435 PolarHBondContact O-N 3.32Å; E276-K437 VanDerWaalsContact CD-NZ 3.33Å; E276-K437 WeakPolarHBondContact OE1-CD 3.35Å; E276-K437 IonicContact OE1-NZ 3.67Å; E276-K437 PolarHBondContact OE1-NZ 3.24Å; E276-K437 WeakPolarHBondContact OE2-CE 3.37Å; E276-K437 IonicContact OE2-NZ 3.71Å; E276-K437 PolarHBondContact OE2-NZ 2.99Å
277T95.4Very high94.3Very high47 Ų4736 Ų3629%0.28818%0.18SC..EExtended strand (participates in β ladder)trans-59.4132.1169.3-65.90000110.6L279 E431T277-L279 HydrophobicContact CG2-CD2 3.92Å; T277-L279 HydrophobicContact CG2-CG 4.44Å; T277-L279 PolarHBondContact O-N 2.75Å; T277-E431 HydrophobicContact CG2-CB 4.31Å; T277-E431 HydrophobicContact CG2-CG 4.11Å; T277-E431 WeakPolarHBondContact CG2-OE1 3.46Å; T277-E431 WeakPolarHBondContact CG2-OE2 3.39Å; T277-E431 PolarHBondContact OG1-OE1 3.24Å; T277-E431 PolarHBondContact OG1-OE2 2.96Å; T277-E431 VanDerWaalsContact OG1-OE2 3.13Å
278K95.7Very high94.7Very high36 Ų3632.8 Ų32.816%0.15717%0.165CC..  trans-82.899.6169.1-168.3-174.3-177.5-58.30109.7E276 E432 G433 M435E276-K278 PolarHBondContact O-N 3.16Å; K278-E432 HydrophobicContact CD-CB 4.46Å; K278-E432 HydrophobicContact CD-CG 4.48Å; K278-E432 HydrophobicContact CG-CB 4.5Å; K278-E432 IonicContact NZ-OE1 3.95Å; K278-E432 PolarHBondContact NZ-OE1 2.91Å; K278-E432 IonicContact NZ-OE2 3.56Å; K278-E432 PolarHBondContact NZ-OE2 3.49Å; K278-E432 WeakPolarHBondContact O-CB 3.35Å; K278-G433 WeakPolarHBondContact CA-O 3.44Å; K278-G433 WeakPolarHBondContact CB-O 3.3Å; K278-G433 PolarHBondContact N-O 3.35Å; K278-M435 HydrophobicContact CB-CG 3.93Å; K278-M435 HydrophobicContact CB-SD 4.2Å; K278-M435 HydrophobicContact CD-SD 4.01Å; K278-M435 HydrophobicContact CG-CG 4.06Å; K278-M435 HydrophobicContact CG-SD 3.77Å
279L92.4Very high94.9Very high27 Ų2735.2 Ų35.214%0.14118%0.178CC..  trans-68.8136.1176.8-60.7173000112.1T277 G281 E336 M338 C370 V408T277-L279 HydrophobicContact CG2-CD2 3.92Å; T277-L279 HydrophobicContact CG2-CG 4.44Å; T277-L279 PolarHBondContact O-N 2.75Å; L279-G281 PolarHBondContact O-N 3.41Å; L279-E336 HydrophobicContact CB-CB 4.22Å; L279-E336 HydrophobicContact CB-CG 4.18Å; L279-E336 HydrophobicContact CD1-CB 4.27Å; L279-M338 HydrophobicContact CB-CE 4.32Å; L279-M338 HydrophobicContact CB-SD 3.85Å; L279-M338 HydrophobicContact CD2-CE 4.49Å; L279-C370 HydrophobicContact CD1-CB 3.27Å; L279-V408 HydrophobicContact CD1-CG2 3.77Å
280D89.3Confident95.2Very high21 Ų2131.5 Ų31.511%0.11217%0.165CC..  trans-97.364178.3-174.825.5000111.6E432 R582D280-E432 WeakPolarHBondContact CA-OE2 3.49Å; D280-E432 HydrophobicContact CB-CB 4.18Å; D280-E432 HydrophobicContact CB-CG 4.38Å; D280-R582 VanDerWaalsContact CG-NH2 3.33Å; D280-R582 IonicContact OD1-CZ 3.54Å; D280-R582 IonicContact OD1-NH1 2.78Å; D280-R582 IonicContact OD1-NH2 2.78Å; D280-R582 PolarHBondContact OD1-NH2 3.27Å; D280-R582 IonicContact OD2-CZ 2.81Å; D280-R582 VanDerWaalsContact OD2-CZ 3.3Å; D280-R582 IonicContact OD2-NH1 2.98Å; D280-R582 PolarHBondContact OD2-NH1 3.11Å; D280-R582 IonicContact OD2-NH2 3.83Å; D280-R582 PolarHBondContact OD2-NH2 2.71Å
281G90.4Very high95.5Very high8 Ų830.3 Ų30.38%0.08216%0.158CC..SBendtrans-119.1-143.1-178.700000113.3L279 E336 M337 M338L279-G281 PolarHBondContact O-N 3.41Å; G281-E336 VanDerWaalsContact C-OE1 3.23Å; G281-M337 CarbonylContact C-O 3.6Å; G281-M337 VanDerWaalsContact CA-O 3.3Å; G281-M337 WeakPolarHBondContact CA-O 3.37Å; G281-M338 WeakPolarHBondContact CA-SD 3.44Å; G281-M338 PolarHBondContact N-SD 3.27Å
282E91.4Very high95.7Very high20 Ų2027.9 Ų27.99%0.09315%0.153CC..EExtended strand (participates in β ladder)trans-126114172.3-58.2-150.2135.500112.7M284 E336 M337 K350 I356 K357E282-M284 PolarHBondContact O-N 3.2Å; E282-E336 VanDerWaalsContact C-OE1 3.31Å; E282-E336 WeakPolarHBondContact CA-OE1 3.32Å; E282-E336 PolarHBondContact N-OE1 2.8Å; E282-M337 PolarHBondContact N-O 2.98Å; E282-M337 WeakPolarHBondContact O-CB 2.88Å; E282-M337 PolarHBondContact O-N 2.82Å; E282-K350 IonicContact OE1-NZ 3.08Å; E282-K350 PolarHBondContact OE1-NZ 3.18Å; E282-I356 HydrophobicContact CG-CD1 4.49Å; E282-K357 IonicContact OE1-NZ 2.82Å; E282-K357 PolarHBondContact OE1-NZ 2.92Å; E282-K357 WeakPolarHBondContact OE2-CD 2.94Å; E282-K357 WeakPolarHBondContact OE2-CE 3.47Å; E282-K357 WeakPolarHBondContact OE2-CG 3.42Å; E282-K357 IonicContact OE2-NZ 3.55Å; E282-K357 PolarHBondContact OE2-NZ 3.47Å
283R95.9Very high95.9Very high41 Ų4124.8 Ų24.816%0.15514%0.136CC..EExtended strand (participates in β ladder)trans-49.9121.8174-168.866.6166.9-141.6-0.6113P253 R298 D334 G335 E336 F372 W452P253-R283 HydrophobicContact CB-CG 4.36Å; P253-R283 HydrophobicContact CG-CG 4.18Å; R283-R298 HydrophobicContact CB-CB 4.17Å; R283-R298 HydrophobicContact CG-CB 4.41Å; R283-R298 PolarHBondContact O-N 2.94Å; R283-D334 IonicContact CZ-OD1 3.32Å; R283-D334 IonicContact CZ-OD2 3.78Å; R283-D334 IonicContact NE-OD1 3.63Å; R283-D334 PolarHBondContact NE-OD1 3.38Å; R283-D334 IonicContact NE-OD2 3.01Å; R283-D334 IonicContact NH2-OD1 2.63Å; R283-D334 PolarHBondContact NH2-OD1 3.08Å; R283-D334 IonicContact NH2-OD2 3.78Å; R283-D334 PolarHBondContact NH2-OD2 2.81Å; R283-G335 WeakPolarHBondContact CD-O 3.29Å; R283-E336 VanDerWaalsContact CA-OE2 3.28Å; R283-E336 WeakPolarHBondContact CA-OE2 3.31Å; R283-E336 WeakPolarHBondContact CD-OE2 3.45Å; R283-E336 PolarHBondContact N-OE1 3.28Å; R283-E336 PolarHBondContact N-OE2 3.36Å; R283-E336 IonicContact NH1-OE2 3.39Å; R283-F372 VanDerWaalsContact NE-CZ 3.33Å; R283-W452 VanDerWaalsContact NH2-CZ3 3.33Å
284M97Very high95.9Very high1 Ų128.2 Ų28.21%0.00515%0.151CC..EExtended strand (participates in β ladder)trans-139.3132-178.2-158.463.954.100110E282 Y295 Y303 F307 G335 M337 Y369E282-M284 PolarHBondContact O-N 3.2Å; M284-Y295 HydrophobicContact CG-CD1 4.22Å; M284-Y303 HydrophobicContact CE-CD2 4.45Å; M284-F307 HydrophobicContact CE-CE2 3.57Å; M284-F307 HydrophobicContact CE-CZ 4.05Å; M284-F307 HydrophobicContact CG-CE2 4.26Å; M284-F307 HydrophobicContact SD-CD2 4.48Å; M284-F307 HydrophobicContact SD-CE2 3.92Å; M284-G335 PolarHBondContact N-O 2.69Å; M284-G335 PolarHBondContact O-N 3.07Å; M284-M337 HydrophobicContact CB-CB 4.44Å; M284-M337 HydrophobicContact CB-CE 4.05Å; M284-M337 HydrophobicContact CG-CE 3.91Å; M284-Y369 HydrophobicContact CB-CE2 4.1Å; M284-Y369 WeakPolarHBondContact O-CE2 3.36Å; M284-Y369 PolarHBondContact O-OH 3.38Å
285Q97.5Very high95.9Very high1 Ų126.6 Ų26.61%0.00515%0.145CC..EExtended strand (participates in β ladder)trans-100140165.767.4-162.2-144.700109.4A250 F251 H287 Y295 F296 L333A250-Q285 VanDerWaalsContact CA-OE1 3.23Å; F251-Q285 HydrophobicContact CE1-CB 3.89Å; F251-Q285 HydrophobicContact CE1-CG 4.02Å; F251-Q285 VanDerWaalsContact CE1-NE2 3.29Å; F251-Q285 HydrophobicContact CZ-CB 3.73Å; F251-Q285 HydrophobicContact CZ-CG 4.24Å; F251-Q285 PolarHBondContact O-NE2 3.42Å; Q285-H287 PolarHBondContact OE1-NE2 3.35Å; Q285-Y295 WeakPolarHBondContact O-CA 3.4Å; Q285-F296 HydrophobicContact CG-CB 3.68Å; Q285-F296 HydrophobicContact CG-CD2 4.1Å; Q285-F296 HydrophobicContact CG-CG 4.41Å; Q285-F296 WeakPolarHBondContact CG-O 3.5Å; Q285-F296 PolarHBondContact N-O 3.4Å; Q285-F296 PolarHBondContact O-N 3.5Å; Q285-L333 CarbonylContact C-O 3.48Å; Q285-L333 VanDerWaalsContact CA-O 3.22Å; Q285-L333 WeakPolarHBondContact CA-O 3.17Å
286M98.3Very high95.8Very high0 Ų026.9 Ų26.90%015%0.146CC..EExtended strand (participates in β ladder)trans-116.1128.2178.1-179.9-161.281.900108.9K288 Y293 K294 Y295 I320 F324 I332 L333 Y369M286-K288 HydrophobicContact CE-CB 4.26Å; M286-Y293 HydrophobicContact CG-CD1 4.23Å; M286-Y293 HydrophobicContact SD-CD1 4.08Å; M286-Y293 HydrophobicContact SD-CE1 4.17Å; M286-K294 WeakPolarHBondContact CA-O 3.48Å; M286-Y295 HydrophobicContact CB-CD1 3.99Å; M286-Y295 HydrophobicContact CB-CE1 3.81Å; M286-Y295 HydrophobicContact CG-CD1 4Å; M286-Y295 HydrophobicContact CG-CE1 3.43Å; M286-Y295 VanDerWaalsContact CG-CE1 3.43Å; M286-Y295 HydrophobicContact SD-CE1 4.04Å; M286-I320 HydrophobicContact SD-CD1 3.81Å; M286-F324 HydrophobicContact CE-CE1 3.85Å; M286-F324 HydrophobicContact CE-CE2 4.47Å; M286-F324 HydrophobicContact CE-CZ 3.42Å; M286-F324 VanDerWaalsContact CE-CZ 3.42Å; M286-F324 HydrophobicContact SD-CZ 4.02Å; M286-I332 CarbonylContact O-C 3.58Å; M286-I332 WeakPolarHBondContact O-CA 3.47Å; M286-L333 HydrophobicContact CB-CB 4.45Å; M286-L333 HydrophobicContact CE-CB 4.22Å; M286-L333 HydrophobicContact CE-CD1 3.51Å; M286-L333 HydrophobicContact CE-CG 3.76Å; M286-L333 PolarHBondContact N-O 2.91Å; M286-L333 PolarHBondContact O-N 3.15Å; M286-Y369 HydrophobicContact CB-CE1 3.81Å; M286-Y369 PolarHBondContact N-OH 2.8Å; M286-Y369 HydrophobicContact SD-CE1 4.31Å
287H98.4Very high95.7Very high0 Ų026.8 Ų26.80%015%0.146CC..EExtended strand (participates in β ladder)trans-110.6130.5173.1-63.8-119.2000107.8L247 F248 S249 F251 Q285 Y293 K294 F296L247-H287 HydrophobicContact CD1-CB 4.2Å; F248-H287 HydrophobicContact CD1-CB 3.65Å; F248-H287 HydrophobicContact CE1-CB 3.93Å; F248-H287 PolarHBondContact N-ND1 3.34Å; S249-H287 PolarHBondContact O-CE1 2.96Å; F251-H287 AromaticContact CE1-NE2 3.85Å; Q285-H287 PolarHBondContact OE1-NE2 3.35Å; H287-Y293 CarbonylContact O-C 3.54Å; H287-Y293 VanDerWaalsContact O-CA 3.29Å; H287-Y293 WeakPolarHBondContact O-CA 3.23Å; H287-K294 HydrophobicContact CB-CB 4.38Å; H287-K294 PolarHBondContact N-O 2.86Å; H287-K294 PolarHBondContact O-N 3.14Å; H287-F296 AromaticContact CD2-CD2 3.63Å; H287-F296 AromaticContact CD2-CE2 3.78Å; H287-F296 AromaticContact NE2-CD2 3.65Å; H287-F296 AromaticContact NE2-CE2 3.91Å
288K97.8Very high95.7Very high9 Ų930.5 Ų30.54%0.03916%0.155CC..EExtended strand (participates in β ladder)trans-126.7137.7179.4176.3-168.1179.2-47.80109.8M286 G290 V292 Y293 F324 Q329 N330 C331M286-K288 HydrophobicContact CE-CB 4.26Å; K288-G290 WeakPolarHBondContact CE-O 3.44Å; K288-G290 PolarHBondContact NZ-O 3.13Å; K288-V292 CarbonylContact C-O 3.59Å; K288-V292 WeakPolarHBondContact CA-O 3.48Å; K288-Y293 HydrophobicContact CB-CD1 4.06Å; K288-Y293 HydrophobicContact CB-CE1 3.87Å; K288-Y293 HydrophobicContact CD-CE1 3.87Å; K288-Y293 VanDerWaalsContact CE-OH 3.24Å; K288-Y293 WeakPolarHBondContact CE-OH 3.29Å; K288-Y293 HydrophobicContact CG-CD1 4.2Å; K288-Y293 HydrophobicContact CG-CE1 3.64Å; K288-Y293 HydrophobicContact CG-CE2 4.3Å; K288-F324 HydrophobicContact CD-CD1 4.12Å; K288-F324 HydrophobicContact CD-CD2 4.08Å; K288-F324 HydrophobicContact CD-CE1 4.18Å; K288-F324 HydrophobicContact CD-CE2 4.16Å; K288-F324 HydrophobicContact CD-CG 4.09Å; K288-F324 HydrophobicContact CD-CZ 4.23Å; K288-Q329 PolarHBondContact NZ-O 2.87Å; K288-Q329 VanDerWaalsContact NZ-O 3.08Å; K288-N330 CarbonylContact O-C 3.57Å; K288-N330 WeakPolarHBondContact O-CA 3.08Å; K288-N330 WeakPolarHBondContact O-CB 3.45Å; K288-C331 PolarHBondContact N-O 3.26Å; K288-C331 PolarHBondContact O-N 3.42Å
289D97.3Very high95.5Very high57 Ų5733.4 Ų33.431%0.30517%0.172SC..EExtended strand (participates in β ladder)trans-141104.9164-167.13.1000109.7L247 F248 D291 V292 N330L247-D289 HydrophobicContact CD2-CB 4.01Å; F248-D289 HydrophobicContact CE2-CB 3.75Å; F248-D289 HydrophobicContact CZ-CB 3.47Å; F248-D289 VanDerWaalsContact CZ-CB 3.47Å; D289-D291 PolarHBondContact O-N 2.91Å; D289-V292 PolarHBondContact N-O 3.33Å; D289-V292 PolarHBondContact O-N 3.23Å; D289-N330 HydrophobicContact CB-CB 4.4Å
290G95Very high95.5Very high27 Ų2732.5 Ų32.528%0.27817%0.17SC..THydrogen-bonded Turntrans56.1-115.5-171.700000111.1K288 Q329K288-G290 WeakPolarHBondContact CE-O 3.44Å; K288-G290 PolarHBondContact NZ-O 3.13Å; G290-Q329 PolarHBondContact N-O 3.48Å
291D96Very high95.6Very high98 Ų9836.4 Ų36.452%0.52418%0.184SC..THydrogen-bonded Turntrans-93.2-1.9179.7-65.6-8.8000113.3D289 Y293 S310 P311 H321D289-D291 PolarHBondContact O-N 2.91Å; D291-Y293 WeakPolarHBondContact O-CD2 3.1Å; D291-S310 WeakPolarHBondContact O-CA 3.48Å; D291-P311 HydrophobicContact CB-CG 4.14Å; D291-P311 WeakPolarHBondContact O-CD 3.34Å; D291-H321 IonicContact OD1-CE1 2.7Å; D291-H321 PolarHBondContact OD1-CE1 3.43Å; D291-H321 IonicContact OD1-NE2 2.76Å
292V97.3Very high95.7Very high78 Ų7840.2 Ų40.247%0.47320%0.202SC..EExtended strand (participates in β ladder)trans-94.9125.4-179.1-177.30000110F248 K288 D289F248-V292 HydrophobicContact CE1-CG1 4.16Å; F248-V292 HydrophobicContact CE2-CG1 4.35Å; F248-V292 HydrophobicContact CZ-CB 4.05Å; F248-V292 HydrophobicContact CZ-CG1 3.71Å; K288-V292 CarbonylContact C-O 3.59Å; K288-V292 WeakPolarHBondContact CA-O 3.48Å; D289-V292 PolarHBondContact N-O 3.33Å; D289-V292 PolarHBondContact O-N 3.23Å
293Y98.1Very high95.8Very high1 Ų142.4 Ų42.40%0.00421%0.21CC..EExtended strand (participates in β ladder)trans-120.5145.1178.2-68.5-102.4000111.2M286 H287 K288 D291 T304 S309 T317 H321 F324M286-Y293 HydrophobicContact CG-CD1 4.23Å; M286-Y293 HydrophobicContact SD-CD1 4.08Å; M286-Y293 HydrophobicContact SD-CE1 4.17Å; H287-Y293 CarbonylContact O-C 3.54Å; H287-Y293 VanDerWaalsContact O-CA 3.29Å; H287-Y293 WeakPolarHBondContact O-CA 3.23Å; K288-Y293 HydrophobicContact CB-CD1 4.06Å; K288-Y293 HydrophobicContact CB-CE1 3.87Å; K288-Y293 HydrophobicContact CD-CE1 3.87Å; K288-Y293 VanDerWaalsContact CE-OH 3.24Å; K288-Y293 WeakPolarHBondContact CE-OH 3.29Å; K288-Y293 HydrophobicContact CG-CD1 4.2Å; K288-Y293 HydrophobicContact CG-CE1 3.64Å; K288-Y293 HydrophobicContact CG-CE2 4.3Å; D291-Y293 WeakPolarHBondContact O-CD2 3.1Å; Y293-T304 WeakPolarHBondContact O-CG2 3.37Å; Y293-S309 PolarHBondContact N-O 3.43Å; Y293-T317 HydrophobicContact CD1-CG2 4.01Å; Y293-T317 HydrophobicContact CD2-CG2 3.35Å; Y293-T317 HydrophobicContact CE1-CG2 4.22Å; Y293-T317 HydrophobicContact CE2-CG2 3.61Å; Y293-T317 HydrophobicContact CG-CG2 3.57Å; Y293-H321 AromaticContact CE2-ND1 3.75Å; Y293-H321 AromaticContact CZ-ND1 3.76Å; Y293-H321 PolarHBondContact OH-ND1 3.29Å; Y293-F324 HydrophobicContact CE1-CE2 4.03Å; Y293-F324 HydrophobicContact CE1-CZ 4.45Å
294K97.9Very high95.7Very high72 Ų7241 Ų4131%0.31321%0.206SC..EExtended strand (participates in β ladder)trans-134.3142.9164.3-66.5-164-178.9-171.60111.7F248 M286 H287 F296 T304F248-K294 HydrophobicContact CB-CD 4.07Å; F248-K294 HydrophobicContact CD1-CB 3.94Å; F248-K294 HydrophobicContact CD1-CD 3.83Å; F248-K294 HydrophobicContact CD1-CG 3.68Å; F248-K294 HydrophobicContact CE1-CB 4.4Å; F248-K294 HydrophobicContact CE1-CG 4.11Å; F248-K294 HydrophobicContact CG-CD 4.2Å; M286-K294 WeakPolarHBondContact CA-O 3.48Å; H287-K294 HydrophobicContact CB-CB 4.38Å; H287-K294 PolarHBondContact N-O 2.86Å; H287-K294 PolarHBondContact O-N 3.14Å; K294-F296 HydrophobicContact CB-CE2 3.91Å; K294-F296 HydrophobicContact CB-CZ 3.96Å; K294-F296 HydrophobicContact CD-CE2 4.34Å; K294-F296 HydrophobicContact CD-CZ 3.72Å; K294-T304 VanDerWaalsContact CA-OG1 3.3Å; K294-T304 WeakPolarHBondContact CA-OG1 3.49Å
295Y97.5Very high95.5Very high0 Ų050.2 Ų50.20%025%0.249CC..EExtended strand (participates in β ladder)trans-123.8121.6-179.6-63-95000110.1M284 Q285 M286 Y303 T304 F307 G308 L316 T317M284-Y295 HydrophobicContact CG-CD1 4.22Å; Q285-Y295 WeakPolarHBondContact O-CA 3.4Å; M286-Y295 HydrophobicContact CB-CD1 3.99Å; M286-Y295 HydrophobicContact CB-CE1 3.81Å; M286-Y295 HydrophobicContact CG-CD1 4Å; M286-Y295 HydrophobicContact CG-CE1 3.43Å; M286-Y295 VanDerWaalsContact CG-CE1 3.43Å; M286-Y295 HydrophobicContact SD-CE1 4.04Å; Y295-Y303 PolarHBondContact O-N 3.1Å; Y295-T304 PolarHBondContact N-OG1 2.8Å; Y295-F307 HydrophobicContact CD1-CB 4.01Å; Y295-F307 HydrophobicContact CD1-CD2 4.12Å; Y295-F307 HydrophobicContact CD1-CG 4.27Å; Y295-F307 HydrophobicContact CD2-CB 3.63Å; Y295-F307 HydrophobicContact CD2-CD2 4.48Å; Y295-F307 HydrophobicContact CE1-CB 4.11Å; Y295-F307 HydrophobicContact CE2-CB 3.74Å; Y295-F307 HydrophobicContact CG-CB 3.77Å; Y295-F307 AromaticContact CG-CD2 3.87Å; Y295-F307 HydrophobicContact CG-CD2 3.87Å; Y295-F307 HydrophobicContact CG-CG 4.19Å; Y295-G308 VanDerWaalsContact CE2-O 3.27Å; Y295-G308 WeakPolarHBondContact CE2-O 3.4Å; Y295-L316 HydrophobicContact CE1-CD2 3.92Å; Y295-T317 WeakPolarHBondContact CE2-OG1 3.5Å; Y295-T317 PolarHBondContact OH-OG1 2.9Å
296F96.9Very high95.1Very high14 Ų1451.8 Ų51.86%0.06126%0.256CS..EExtended strand (participates in β ladder)trans-116.9131.5177.1-52.4-76000111.3A250 Q285 H287 K294 Y301 D302A250-F296 HydrophobicContact CB-CB 3.96Å; A250-F296 HydrophobicContact CB-CD1 3.76Å; A250-F296 HydrophobicContact CB-CD2 3.9Å; A250-F296 HydrophobicContact CB-CE1 4.17Å; A250-F296 HydrophobicContact CB-CE2 4.3Å; A250-F296 HydrophobicContact CB-CG 3.6Å; A250-F296 HydrophobicContact CB-CZ 4.41Å; Q285-F296 HydrophobicContact CG-CB 3.68Å; Q285-F296 HydrophobicContact CG-CD2 4.1Å; Q285-F296 HydrophobicContact CG-CG 4.41Å; Q285-F296 WeakPolarHBondContact CG-O 3.5Å; Q285-F296 PolarHBondContact N-O 3.4Å; Q285-F296 PolarHBondContact O-N 3.5Å; H287-F296 AromaticContact CD2-CD2 3.63Å; H287-F296 AromaticContact CD2-CE2 3.78Å; H287-F296 AromaticContact NE2-CD2 3.65Å; H287-F296 AromaticContact NE2-CE2 3.91Å; K294-F296 HydrophobicContact CB-CE2 3.91Å; K294-F296 HydrophobicContact CB-CZ 3.96Å; K294-F296 HydrophobicContact CD-CE2 4.34Å; K294-F296 HydrophobicContact CD-CZ 3.72Å; F296-Y301 WeakPolarHBondContact CA-O 3.28Å; F296-D302 HydrophobicContact CD1-CB 4.2Å; F296-D302 HydrophobicContact CE1-CB 4.15Å
297S95.2Very high94.8Very high5 Ų551.8 Ų51.84%0.03526%0.256CS..EExtended strand (participates in β ladder)trans-69.8168.8173.264.80000111.4N299 G300 Y301S297-N299 PolarHBondContact O-N 2.99Å; S297-G300 PolarHBondContact O-N 3.21Å; S297-Y301 PolarHBondContact N-O 3.28Å; S297-Y301 WeakPolarHBondContact OG-CB 3.09Å; S297-Y301 PolarHBondContact OG-N 2.97Å; S297-Y301 PolarHBondContact OG-O 3.22Å
298R94.3Very high94.6Very high125 Ų12551.8 Ų51.847%0.47226%0.256SS..THydrogen-bonded Turntrans-43.1-36.4173.1-178.1174.2175.8172.20.3116.1P253 L255 R283P253-R298 WeakPolarHBondContact CD-O 3.45Å; L255-R298 VanDerWaalsContact CD2-NH2 3.34Å; R283-R298 HydrophobicContact CB-CB 4.17Å; R283-R298 HydrophobicContact CG-CB 4.41Å; R283-R298 PolarHBondContact O-N 2.94Å
299N91.6Very high94.6Very high96 Ų9653.8 Ų53.851%0.51327%0.271SS..THydrogen-bonded Turntrans-94.27-177.3-69.2-31.7000112.9R82 S297 Y301R82-N299 VanDerWaalsContact CZ-O 3.23Å; R82-N299 PolarHBondContact NE-O 2.95Å; R82-N299 PolarHBondContact NH2-O 2.97Å; S297-N299 PolarHBondContact O-N 2.99Å; N299-Y301 HydrophobicContact CB-CD2 3.89Å; N299-Y301 HydrophobicContact CB-CE2 3.93Å
300G92.1Very high94.5Very high9 Ų952.5 Ų52.59%0.09327%0.267CS..SBendtrans77.819-179.600000114.9S297S297-G300 PolarHBondContact O-N 3.21Å
301Y91.5Very high94.5Very high103 Ų10352.5 Ų52.540%0.40426%0.262SS..  trans-79.5138168.6-66.5-81.7000110.3F296 S297 N299 Y303F296-Y301 WeakPolarHBondContact CA-O 3.28Å; S297-Y301 PolarHBondContact N-O 3.28Å; S297-Y301 WeakPolarHBondContact OG-CB 3.09Å; S297-Y301 PolarHBondContact OG-N 2.97Å; S297-Y301 PolarHBondContact OG-O 3.22Å; N299-Y301 HydrophobicContact CB-CD2 3.89Å; N299-Y301 HydrophobicContact CB-CE2 3.93Å; Y301-Y303 WeakPolarHBondContact O-CD2 3.36Å
302D93.1Very high94.3Very high87 Ų8755.6 Ų55.647%0.46528%0.278SS..BIsolated β-bridgetrans-77.2123.8178-166.9-27.6000111.1F296 T304F296-D302 HydrophobicContact CD1-CB 4.2Å; F296-D302 HydrophobicContact CE1-CB 4.15Å; D302-T304 WeakPolarHBondContact OD1-CB 3.4Å; D302-T304 PolarHBondContact OD1-N 3.25Å; D302-T304 PolarHBondContact OD1-OG1 3.37Å
303Y93.4Very high94.1Very high66 Ų6656.2 Ų56.226%0.25928%0.275SS..  trans-117.218.3176.3-79.2-88000112.4M284 Y295 Y301 Q305 Q306 F307 K357M284-Y303 HydrophobicContact CE-CD2 4.45Å; Y295-Y303 PolarHBondContact O-N 3.1Å; Y301-Y303 WeakPolarHBondContact O-CD2 3.36Å; Y303-Q305 VanDerWaalsContact C-N 3.31Å; Y303-Q305 PolarHBondContact O-N 3.26Å; Y303-Q306 WeakPolarHBondContact O-CB 3.48Å; Y303-Q306 PolarHBondContact O-N 3.11Å; Y303-F307 HydrophobicContact CG-CE2 4.33Å; Y303-F307 WeakPolarHBondContact O-CD2 3.3Å; Y303-F307 PolarHBondContact O-N 3.1Å; Y303-K357 HydrophobicContact CD1-CB 4.19Å; Y303-K357 HydrophobicContact CD1-CD 4.18Å; Y303-K357 HydrophobicContact CD1-CG 3.82Å; Y303-K357 HydrophobicContact CE1-CB 3.74Å; Y303-K357 HydrophobicContact CE1-CD 3.41Å; Y303-K357 VanDerWaalsContact CE1-CD 3.41Å; Y303-K357 HydrophobicContact CE1-CG 3.49Å; Y303-K357 VanDerWaalsContact CE1-CG 3.49Å; Y303-K357 HydrophobicContact CE2-CD 4.17Å; Y303-K357 VanDerWaalsContact CZ-CD 3.41Å; Y303-K357 WeakPolarHBondContact OH-CD 3.42Å; Y303-K357 WeakPolarHBondContact OH-CE 3.35Å
304T94.3Very high93.7Very high12 Ų1256.9 Ų56.97%0.07428%0.282CS..Hα-helixtrans-61.4-38.1-176.1-52.80000112.3Y293 K294 Y295 D302 Q306 F307 G308Y293-T304 WeakPolarHBondContact O-CG2 3.37Å; K294-T304 VanDerWaalsContact CA-OG1 3.3Å; K294-T304 WeakPolarHBondContact CA-OG1 3.49Å; Y295-T304 PolarHBondContact N-OG1 2.8Å; D302-T304 WeakPolarHBondContact OD1-CB 3.4Å; D302-T304 PolarHBondContact OD1-N 3.25Å; D302-T304 PolarHBondContact OD1-OG1 3.37Å; T304-Q306 PolarHBondContact O-N 2.83Å; T304-F307 PolarHBondContact O-N 3Å; T304-G308 CarbonylContact O-C 3Å; T304-G308 VanDerWaalsContact O-C 3.31Å; T304-G308 WeakPolarHBondContact O-CA 3.45Å; T304-G308 PolarHBondContact O-N 2.69Å
305Q91.6Very high93.3Very high195 Ų19554.3 Ų54.391%0.91127%0.273SS*.Hα-helixtrans-56.6-27176-71.2-173.6-3.500113.2Y303Y303-Q305 VanDerWaalsContact C-N 3.31Å; Y303-Q305 PolarHBondContact O-N 3.26Å
306Q89.2Confident93.2Very high34 Ų3454.3 Ų54.316%0.15927%0.273CS..Hα-helixtrans-91.2-48.4-177.2-167.8-154.9-21.600112Y303 T304 G314 S315 I356 K357Y303-Q306 WeakPolarHBondContact O-CB 3.48Å; Y303-Q306 PolarHBondContact O-N 3.11Å; T304-Q306 PolarHBondContact O-N 2.83Å; Q306-G314 WeakPolarHBondContact O-CA 3.42Å; Q306-S315 PolarHBondContact O-N 3.35Å; Q306-S315 PolarHBondContact O-OG 3.02Å; Q306-I356 PolarHBondContact NE2-O 2.89Å; Q306-K357 VanDerWaalsContact CD-CA 3.44Å; Q306-K357 PolarHBondContact NE2-O 3.11Å; Q306-K357 PolarHBondContact OE1-O 3.09Å
307F93.2Very high93.1Very high0 Ų053.6 Ų53.60%027%0.27CS..Hα-helixtrans-81.7-26.2-175.1-63.7-58.2000112.9M284 Y295 Y303 T304 G314 S315 L316 T317 M337 T367M284-F307 HydrophobicContact CE-CE2 3.57Å; M284-F307 HydrophobicContact CE-CZ 4.05Å; M284-F307 HydrophobicContact CG-CE2 4.26Å; M284-F307 HydrophobicContact SD-CD2 4.48Å; M284-F307 HydrophobicContact SD-CE2 3.92Å; Y295-F307 HydrophobicContact CD1-CB 4.01Å; Y295-F307 HydrophobicContact CD1-CD2 4.12Å; Y295-F307 HydrophobicContact CD1-CG 4.27Å; Y295-F307 HydrophobicContact CD2-CB 3.63Å; Y295-F307 HydrophobicContact CD2-CD2 4.48Å; Y295-F307 HydrophobicContact CE1-CB 4.11Å; Y295-F307 HydrophobicContact CE2-CB 3.74Å; Y295-F307 HydrophobicContact CG-CB 3.77Å; Y295-F307 AromaticContact CG-CD2 3.87Å; Y295-F307 HydrophobicContact CG-CD2 3.87Å; Y295-F307 HydrophobicContact CG-CG 4.19Å; Y303-F307 HydrophobicContact CG-CE2 4.33Å; Y303-F307 WeakPolarHBondContact O-CD2 3.3Å; Y303-F307 PolarHBondContact O-N 3.1Å; T304-F307 PolarHBondContact O-N 3Å; F307-G314 CarbonylContact O-C 3.6Å; F307-S315 PolarHBondContact O-N 3.05Å; F307-L316 HydrophobicContact CB-CB 4.32Å; F307-L316 HydrophobicContact CD1-CB 4.29Å; F307-L316 PolarHBondContact O-N 2.87Å; F307-T317 PolarHBondContact O-N 2.84Å; F307-T317 PolarHBondContact O-OG1 3.42Å; F307-M337 HydrophobicContact CD1-CE 4.03Å; F307-M337 HydrophobicContact CD2-CE 4.41Å; F307-M337 HydrophobicContact CE1-CE 3.88Å; F307-M337 HydrophobicContact CE1-CG 3.86Å; F307-M337 HydrophobicContact CE1-SD 4.19Å; F307-M337 HydrophobicContact CE2-CE 4.26Å; F307-M337 HydrophobicContact CG-CE 4.3Å; F307-M337 HydrophobicContact CZ-CE 4Å; F307-M337 HydrophobicContact CZ-CG 3.99Å; F307-T367 HydrophobicContact CD1-CG2 4.13Å; F307-T367 HydrophobicContact CE1-CG2 3.89Å
308G94.6Very high93.1Very high0 Ų055.4 Ų55.40%028%0.282CS..  trans125.3130.817600000112.3Y295 T304 E313 T317Y295-G308 VanDerWaalsContact CE2-O 3.27Å; Y295-G308 WeakPolarHBondContact CE2-O 3.4Å; T304-G308 CarbonylContact O-C 3Å; T304-G308 VanDerWaalsContact O-C 3.31Å; T304-G308 WeakPolarHBondContact O-CA 3.45Å; T304-G308 PolarHBondContact O-N 2.69Å; G308-E313 WeakPolarHBondContact CA-O 3.43Å; G308-T317 WeakPolarHBondContact CA-OG1 3.37Å; G308-T317 PolarHBondContact O-OG1 3.44Å; G308-T317 VanDerWaalsContact O-OG1 3.06Å
309S96.2Very high93.1Very high50 Ų5054 Ų5435%0.3528%0.279SS..SBendtrans-86.1-18.5170.977.70000112.8Y293 E313Y293-S309 PolarHBondContact N-O 3.43Å; S309-E313 VanDerWaalsContact CB-OE1 3.26Å; S309-E313 WeakPolarHBondContact CB-OE1 3.26Å; S309-E313 PolarHBondContact N-OE1 3.24Å; S309-E313 VanDerWaalsContact N-OE1 3.15Å; S309-E313 PolarHBondContact OG-OE1 3.37Å
310S95.4Very high93.4Very high30 Ų3049.4 Ų49.421%0.2126%0.255CS..SBendtrans-144.4168.7-177.778.80000111.9D291 L312 E313 T317D291-S310 WeakPolarHBondContact O-CA 3.48Å; S310-L312 PolarHBondContact O-N 2.62Å; S310-L312 PolarHBondContact OG-N 3.03Å; S310-E313 PolarHBondContact O-N 2.75Å; S310-T317 WeakPolarHBondContact O-CG2 3.21Å
311P94.6Very high93.6Very high27 Ų2751.4 Ų51.418%0.17526%0.262CS..THydrogen-bonded Turntrans-64.9-4.1178.4-21.535.3000115.2D291 P318 H321D291-P311 HydrophobicContact CB-CG 4.14Å; D291-P311 WeakPolarHBondContact O-CD 3.34Å; P311-P318 VanDerWaalsContact O-CA 3.32Å; P311-P318 WeakPolarHBondContact O-CA 3.24Å; P311-P318 VanDerWaalsContact O-CB 3.31Å; P311-P318 WeakPolarHBondContact O-CB 3.48Å; P311-H321 HydrophobicContact CB-CB 3.93Å; P311-H321 HydrophobicContact CG-CB 4.16Å; P311-H321 VanDerWaalsContact CG-CG 3.5Å; P311-H321 WeakPolarHBondContact CG-ND1 3.4Å
312L93.2Very high93.7Very high164 Ų16455.9 Ų55.986%0.85928%0.283SS*.THydrogen-bonded Turntrans-102.3-10.9-175.5-59.1177.6000113.7S310S310-L312 PolarHBondContact O-N 2.62Å; S310-L312 PolarHBondContact OG-N 3.03Å
313E92.5Very high93.8Very high90 Ų9052.2 Ų52.242%0.42127%0.265SS..SBendtrans-141.1157.6-173.658.4170.3-149.200112.4G308 S309 S310 P318G308-E313 WeakPolarHBondContact CA-O 3.43Å; S309-E313 VanDerWaalsContact CB-OE1 3.26Å; S309-E313 WeakPolarHBondContact CB-OE1 3.26Å; S309-E313 PolarHBondContact N-OE1 3.24Å; S309-E313 VanDerWaalsContact N-OE1 3.15Å; S309-E313 PolarHBondContact OG-OE1 3.37Å; S310-E313 PolarHBondContact O-N 2.75Å; E313-P318 VanDerWaalsContact O-CD 3.23Å; E313-P318 WeakPolarHBondContact O-CD 3.5Å; E313-P318 VanDerWaalsContact O-CG 3.28Å; E313-P318 WeakPolarHBondContact O-CG 3.45Å
314G90.3Very high94Very high15 Ų1549.8 Ų49.816%0.15526%0.256CS..SBendtrans94.8166.6172.200000114.9Q306 F307 L316 P318Q306-G314 WeakPolarHBondContact O-CA 3.42Å; F307-G314 CarbonylContact O-C 3.6Å; G314-L316 VanDerWaalsContact C-N 3.31Å; G314-L316 PolarHBondContact O-N 2.88Å; G314-P318 VanDerWaalsContact O-CD 3.3Å; G314-P318 WeakPolarHBondContact O-CD 3.44Å; G314-P318 WeakPolarHBondContact O-CG 3.32Å
315S89.9Confident94Very high18 Ų1852.5 Ų52.513%0.12627%0.267CS..SBendtrans-76.9-13.4-171.172.20000114.8Q306 F307 F319 T367 R404Q306-S315 PolarHBondContact O-N 3.35Å; Q306-S315 PolarHBondContact O-OG 3.02Å; F307-S315 PolarHBondContact O-N 3.05Å; S315-F319 WeakPolarHBondContact O-CD2 3.37Å; S315-T367 PolarHBondContact OG-OG1 2.96Å; S315-R404 PolarHBondContact O-NH1 2.69Å
316L93.8Very high94Very high0 Ų051.7 Ų51.70%027%0.268CS..SBendtrans-130.1-53.2-172.8-17868.9000113.1Y295 F307 G314 F319 I320 M337 T367 Y369 R404Y295-L316 HydrophobicContact CE1-CD2 3.92Å; F307-L316 HydrophobicContact CB-CB 4.32Å; F307-L316 HydrophobicContact CD1-CB 4.29Å; F307-L316 PolarHBondContact O-N 2.87Å; G314-L316 VanDerWaalsContact C-N 3.31Å; G314-L316 PolarHBondContact O-N 2.88Å; L316-F319 WeakPolarHBondContact O-CB 3.35Å; L316-F319 PolarHBondContact O-N 2.77Å; L316-I320 HydrophobicContact CD1-CG2 3.58Å; L316-I320 HydrophobicContact CD2-CD1 4.06Å; L316-I320 HydrophobicContact CG-CD1 3.93Å; L316-I320 HydrophobicContact CG-CG1 4.21Å; L316-I320 HydrophobicContact CG-CG2 3.98Å; L316-I320 PolarHBondContact O-N 3.25Å; L316-M337 HydrophobicContact CD2-CE 3.64Å; L316-M337 HydrophobicContact CD2-SD 3.9Å; L316-T367 HydrophobicContact CB-CG2 4.33Å; L316-T367 HydrophobicContact CD1-CG2 4.28Å; L316-Y369 HydrophobicContact CD2-CG 4.36Å; L316-R404 WeakPolarHBondContact CD1-O 3.39Å
317T96.1Very high94.1Very high0 Ų055 Ų550%029%0.287CS..Hα-helixtrans-51.1-43.7-170.6-51.50000114.1Y293 Y295 F307 G308 S310 F319 I320 H321Y293-T317 HydrophobicContact CD1-CG2 4.01Å; Y293-T317 HydrophobicContact CD2-CG2 3.35Å; Y293-T317 HydrophobicContact CE1-CG2 4.22Å; Y293-T317 HydrophobicContact CE2-CG2 3.61Å; Y293-T317 HydrophobicContact CG-CG2 3.57Å; Y295-T317 WeakPolarHBondContact CE2-OG1 3.5Å; Y295-T317 PolarHBondContact OH-OG1 2.9Å; F307-T317 PolarHBondContact O-N 2.84Å; F307-T317 PolarHBondContact O-OG1 3.42Å; G308-T317 WeakPolarHBondContact CA-OG1 3.37Å; G308-T317 PolarHBondContact O-OG1 3.44Å; G308-T317 VanDerWaalsContact O-OG1 3.06Å; S310-T317 WeakPolarHBondContact O-CG2 3.21Å; T317-F319 PolarHBondContact O-N 3.47Å; T317-I320 PolarHBondContact O-N 2.82Å; T317-H321 WeakPolarHBondContact O-CB 3.45Å; T317-H321 PolarHBondContact O-N 2.85Å
318P94.9Very high94.1Very high43 Ų4355.4 Ų55.428%0.27929%0.29SS..Hα-helixtrans-61.2-29.6179.2-25.137.4000113.4P311 E313 G314P311-P318 VanDerWaalsContact O-CA 3.32Å; P311-P318 WeakPolarHBondContact O-CA 3.24Å; P311-P318 VanDerWaalsContact O-CB 3.31Å; P311-P318 WeakPolarHBondContact O-CB 3.48Å; E313-P318 VanDerWaalsContact O-CD 3.23Å; E313-P318 WeakPolarHBondContact O-CD 3.5Å; E313-P318 VanDerWaalsContact O-CG 3.28Å; E313-P318 WeakPolarHBondContact O-CG 3.45Å; G314-P318 VanDerWaalsContact O-CD 3.3Å; G314-P318 WeakPolarHBondContact O-CD 3.44Å; G314-P318 WeakPolarHBondContact O-CG 3.32Å
319F94.7Very high93.9Very high95 Ų9561.4 Ų61.442%0.41732%0.318SS..Hα-helixtrans-89.6-19.8-175.3-51.9-80.2000113.1S315 L316 T317 R404S315-F319 WeakPolarHBondContact O-CD2 3.37Å; L316-F319 WeakPolarHBondContact O-CB 3.35Å; L316-F319 PolarHBondContact O-N 2.77Å; T317-F319 PolarHBondContact O-N 3.47Å; F319-R404 HydrophobicContact CB-CG 4.16Å; F319-R404 VanDerWaalsContact CE1-NH2 3.34Å
320I96.2Very high93.9Very high0 Ų059.2 Ų59.20%030%0.302CS..Hα-helixtrans-108-15.8-177.467.8162.7000113.4M286 L316 T317 K322 A323 F324 R404 M405M286-I320 HydrophobicContact SD-CD1 3.81Å; L316-I320 HydrophobicContact CD1-CG2 3.58Å; L316-I320 HydrophobicContact CD2-CD1 4.06Å; L316-I320 HydrophobicContact CG-CD1 3.93Å; L316-I320 HydrophobicContact CG-CG1 4.21Å; L316-I320 HydrophobicContact CG-CG2 3.98Å; L316-I320 PolarHBondContact O-N 3.25Å; T317-I320 PolarHBondContact O-N 2.82Å; I320-K322 VanDerWaalsContact C-N 3.3Å; I320-K322 PolarHBondContact O-N 3.37Å; I320-A323 WeakPolarHBondContact O-CB 3.06Å; I320-A323 PolarHBondContact O-N 2.83Å; I320-F324 HydrophobicContact CD1-CE2 4.28Å; I320-F324 HydrophobicContact CD1-CZ 4.49Å; I320-F324 HydrophobicContact CG1-CE2 4.39Å; I320-F324 WeakPolarHBondContact O-CD2 3.48Å; I320-F324 WeakPolarHBondContact O-CE2 3.33Å; I320-R404 HydrophobicContact CG2-CB 4.31Å; I320-M405 HydrophobicContact CB-CB 4.41Å; I320-M405 HydrophobicContact CB-CE 3.93Å; I320-M405 HydrophobicContact CB-SD 4.07Å; I320-M405 HydrophobicContact CD1-SD 3.96Å; I320-M405 HydrophobicContact CG2-CB 3.69Å; I320-M405 HydrophobicContact CG2-CE 4.45Å; I320-M405 HydrophobicContact CG2-SD 4.26Å
321H96.1Very high94Very high51 Ų5157.8 Ų57.824%0.23629%0.292CS..G310 helixtrans-57.4-41.4-175177.271.8000113D291 Y293 P311 T317 A323D291-H321 IonicContact OD1-CE1 2.7Å; D291-H321 PolarHBondContact OD1-CE1 3.43Å; D291-H321 IonicContact OD1-NE2 2.76Å; Y293-H321 AromaticContact CE2-ND1 3.75Å; Y293-H321 AromaticContact CZ-ND1 3.76Å; Y293-H321 PolarHBondContact OH-ND1 3.29Å; P311-H321 HydrophobicContact CB-CB 3.93Å; P311-H321 HydrophobicContact CG-CB 4.16Å; P311-H321 VanDerWaalsContact CG-CG 3.5Å; P311-H321 WeakPolarHBondContact CG-ND1 3.4Å; T317-H321 WeakPolarHBondContact O-CB 3.45Å; T317-H321 PolarHBondContact O-N 2.85Å; H321-A323 PolarHBondContact O-N 3.49Å
322K95.1Very high94.2Very high197 Ų19756.5 Ų56.586%0.85728%0.284SS*.G310 helixtrans-76.3-7.4177.9-63.4-177.6-179.11770114.3I320I320-K322 VanDerWaalsContact C-N 3.3Å; I320-K322 PolarHBondContact O-N 3.37Å
323A95.4Very high94.4Very high9 Ų948.7 Ų48.77%0.07424%0.243CC..G310 helixtrans-80.7-24-179.600000112.4I320 H321 F398 T399 V401 M405I320-A323 WeakPolarHBondContact O-CB 3.06Å; I320-A323 PolarHBondContact O-N 2.83Å; H321-A323 PolarHBondContact O-N 3.49Å; A323-F398 CarbonylContact O-C 3.54Å; A323-F398 VanDerWaalsContact O-CA 3.27Å; A323-F398 WeakPolarHBondContact O-CA 3.39Å; A323-F398 WeakPolarHBondContact O-CB 3.13Å; A323-T399 PolarHBondContact O-N 3.08Å; A323-V401 HydrophobicContact CB-CG2 3.67Å; A323-M405 HydrophobicContact CB-CE 3.58Å
324F96.6Very high94.7Very high15 Ų1544.4 Ų44.47%0.06622%0.223CC..BIsolated β-bridgetrans-66.6139.8176-66.1-81.8000110.6M286 K288 Y293 I320 V328 L333 V397 F398 M405M286-F324 HydrophobicContact CE-CE1 3.85Å; M286-F324 HydrophobicContact CE-CE2 4.47Å; M286-F324 HydrophobicContact CE-CZ 3.42Å; M286-F324 VanDerWaalsContact CE-CZ 3.42Å; M286-F324 HydrophobicContact SD-CZ 4.02Å; K288-F324 HydrophobicContact CD-CD1 4.12Å; K288-F324 HydrophobicContact CD-CD2 4.08Å; K288-F324 HydrophobicContact CD-CE1 4.18Å; K288-F324 HydrophobicContact CD-CE2 4.16Å; K288-F324 HydrophobicContact CD-CG 4.09Å; K288-F324 HydrophobicContact CD-CZ 4.23Å; Y293-F324 HydrophobicContact CE1-CE2 4.03Å; Y293-F324 HydrophobicContact CE1-CZ 4.45Å; I320-F324 HydrophobicContact CD1-CE2 4.28Å; I320-F324 HydrophobicContact CD1-CZ 4.49Å; I320-F324 HydrophobicContact CG1-CE2 4.39Å; I320-F324 WeakPolarHBondContact O-CD2 3.48Å; I320-F324 WeakPolarHBondContact O-CE2 3.33Å; F324-V328 HydrophobicContact CD1-CG1 4.25Å; F324-L333 HydrophobicContact CE1-CD1 4.14Å; F324-L333 HydrophobicContact CZ-CD1 4.46Å; F324-V397 HydrophobicContact CD1-CG1 3.99Å; F324-V397 HydrophobicContact CE1-CG1 4.15Å; F324-F398 HydrophobicContact CD1-CB 4.21Å; F324-M405 HydrophobicContact CE2-CE 4.17Å; F324-M405 HydrophobicContact CZ-CE 4.03Å; F324-M405 HydrophobicContact CZ-SD 4.18Å
325K94.8Very high95.1Very high70 Ų7043.7 Ų43.730%0.30422%0.215SC..  trans-67.9152.2175.4-60.3-163.9-166.2176.70110.3N327 V328 D396 V397K325-N327 WeakPolarHBondContact CB-OD1 3.49Å; K325-N327 PolarHBondContact O-N 2.9Å; K325-V328 HydrophobicContact CB-CG2 4.31Å; K325-V328 WeakPolarHBondContact O-CB 3.17Å; K325-V328 PolarHBondContact O-N 2.7Å; K325-D396 WeakPolarHBondContact CD-O 3.45Å; K325-D396 VanDerWaalsContact CE-O 3.24Å; K325-D396 WeakPolarHBondContact CE-O 3.47Å; K325-D396 IonicContact NZ-OD1 2.85Å; K325-D396 PolarHBondContact NZ-OD1 3.18Å; K325-V397 PolarHBondContact N-O 2.94Å; K325-V397 VanDerWaalsContact N-O 3.11Å
326N90.4Very high95.4Very high178 Ų17844.1 Ų44.195%0.95222%0.215SC*.THydrogen-bonded Turntrans-59.4-23.5-174.9-66.8-11.9000114.5V328N326-V328 VanDerWaalsContact C-N 3.3Å
327N91.6Very high95.4Very high102 Ų10244.1 Ų44.155%0.54522%0.215SC..THydrogen-bonded Turntrans-84.53178.463.9-42.9000113.6K325 N378K325-N327 WeakPolarHBondContact CB-OD1 3.49Å; K325-N327 PolarHBondContact O-N 2.9Å; N327-N378 PolarHBondContact O-ND2 3.36Å
328V93.1Very high95.2Very high10 Ų1044.4 Ų44.46%0.06122%0.217CC..  trans-99.599.3-178.4-177.60000110.5F324 K325 N326 C331 L377 V397F324-V328 HydrophobicContact CD1-CG1 4.25Å; K325-V328 HydrophobicContact CB-CG2 4.31Å; K325-V328 WeakPolarHBondContact O-CB 3.17Å; K325-V328 PolarHBondContact O-N 2.7Å; N326-V328 VanDerWaalsContact C-N 3.3Å; V328-C331 HydrophobicContact CG1-CB 4.15Å; V328-L377 HydrophobicContact CB-CD1 4.39Å; V328-L377 HydrophobicContact CG1-CD1 3.81Å; V328-L377 HydrophobicContact CG2-CD1 4.03Å; V328-V397 HydrophobicContact CG1-CG1 4.26Å; V328-V397 HydrophobicContact CG2-CG1 4.42Å; V328-V397 WeakPolarHBondContact CG2-O 3.4Å
329Q91.8Very high94.9Very high125 Ų12542.4 Ų42.458%0.58420%0.204SC*.SBendtrans-81.9-61.4175.7-176.2171.6-900110.5K288 G290 N378K288-Q329 PolarHBondContact NZ-O 2.87Å; K288-Q329 VanDerWaalsContact NZ-O 3.08Å; G290-Q329 PolarHBondContact N-O 3.48Å; Q329-N378 PolarHBondContact N-OD1 3.36Å
330N95.6Very high94.6Very high4 Ų438.6 Ų38.62%0.02119%0.187CC..EExtended strand (participates in β ladder)trans-123.9146177.667.748.2000112.1L247 K288 D289 N378 D379L247-N330 HydrophobicContact CD2-CB 4.16Å; K288-N330 CarbonylContact O-C 3.57Å; K288-N330 WeakPolarHBondContact O-CA 3.08Å; K288-N330 WeakPolarHBondContact O-CB 3.45Å; D289-N330 HydrophobicContact CB-CB 4.4Å; N330-N378 PolarHBondContact N-OD1 3.35Å; N330-N378 PolarHBondContact O-N 3.42Å; N330-N378 WeakPolarHBondContact OD1-CA 3.35Å; N330-N378 PolarHBondContact OD1-N 3.34Å; N330-D379 VanDerWaalsContact ND2-CG 3.35Å; N330-D379 PolarHBondContact ND2-OD1 3.02Å; N330-D379 PolarHBondContact OD1-N 3.47Å
331C97.6Very high94.1Very high0 Ų039.7 Ų39.70%019%0.193CC..EExtended strand (participates in β ladder)trans-156.2158.7175.369.30000112.7K288 V328 M376 L377K288-C331 PolarHBondContact N-O 3.26Å; K288-C331 PolarHBondContact O-N 3.42Å; V328-C331 HydrophobicContact CG1-CB 4.15Å; C331-M376 WeakPolarHBondContact CA-O 3.21Å; C331-M376 WeakPolarHBondContact CB-O 3.48Å; C331-L377 HydrophobicContact CB-CD1 4.29Å
332I98.5Very high93.7Very high0 Ų040 Ų400%020%0.199CC..EExtended strand (participates in β ladder)trans-125.2118.1170.6-60.4174000108.1I245 L247 F251 M286 V374 L375 M376I245-I332 HydrophobicContact CG2-CD1 3.73Å; L247-I332 HydrophobicContact CD1-CG1 4.15Å; F251-I332 HydrophobicContact CE1-CG2 3.66Å; F251-I332 HydrophobicContact CZ-CG2 4.3Å; M286-I332 CarbonylContact O-C 3.58Å; M286-I332 WeakPolarHBondContact O-CA 3.47Å; I332-V374 WeakPolarHBondContact O-CA 3.46Å; I332-L375 HydrophobicContact CB-CB 4.3Å; I332-L375 HydrophobicContact CG2-CB 4.11Å; I332-L375 PolarHBondContact O-N 3.49Å; I332-M376 HydrophobicContact CB-CB 3.95Å; I332-M376 HydrophobicContact CD1-CB 3.8Å; I332-M376 HydrophobicContact CD1-CE 4.09Å; I332-M376 HydrophobicContact CD1-SD 3.9Å; I332-M376 HydrophobicContact CG1-CB 3.79Å; I332-M376 HydrophobicContact CG1-SD 4.29Å; I332-M376 PolarHBondContact N-O 3.24Å
333L98.4Very high93.2Very high0 Ų038.6 Ų38.60%020%0.195CC..EExtended strand (participates in β ladder)trans-108.9145.4177.8-59.7-172.9000110.8Q285 M286 F324 Y369 V371 V374 L394 V397 F398Q285-L333 CarbonylContact C-O 3.48Å; Q285-L333 VanDerWaalsContact CA-O 3.22Å; Q285-L333 WeakPolarHBondContact CA-O 3.17Å; M286-L333 HydrophobicContact CB-CB 4.45Å; M286-L333 HydrophobicContact CE-CB 4.22Å; M286-L333 HydrophobicContact CE-CD1 3.51Å; M286-L333 HydrophobicContact CE-CG 3.76Å; M286-L333 PolarHBondContact N-O 2.91Å; M286-L333 PolarHBondContact O-N 3.15Å; F324-L333 HydrophobicContact CE1-CD1 4.14Å; F324-L333 HydrophobicContact CZ-CD1 4.46Å; L333-Y369 HydrophobicContact CB-CE1 4.13Å; L333-Y369 HydrophobicContact CD1-CE1 4.43Å; L333-Y369 PolarHBondContact O-OH 3.05Å; L333-V371 HydrophobicContact CB-CG1 3.93Å; L333-V371 HydrophobicContact CD1-CG1 4.12Å; L333-V371 HydrophobicContact CD1-CG2 4.07Å; L333-V371 HydrophobicContact CD2-CG1 4.18Å; L333-V371 HydrophobicContact CG-CG1 4.31Å; L333-V374 HydrophobicContact CD2-CB 3.97Å; L333-V374 HydrophobicContact CD2-CG2 3.88Å; L333-L394 HydrophobicContact CD2-CD1 4.06Å; L333-V397 HydrophobicContact CD2-CG1 4.34Å; L333-F398 HydrophobicContact CD1-CD1 4.36Å; L333-F398 HydrophobicContact CD1-CE1 4.3Å
334D98.4Very high92.5Very high0 Ų041.9 Ų41.90%022%0.215CC..EExtended strand (participates in β ladder)trans-118.2127.4170.5-167.36.9000108.7R283 V371 F372 D373 Y443R283-D334 IonicContact CZ-OD1 3.32Å; R283-D334 IonicContact CZ-OD2 3.78Å; R283-D334 IonicContact NE-OD1 3.63Å; R283-D334 PolarHBondContact NE-OD1 3.38Å; R283-D334 IonicContact NE-OD2 3.01Å; R283-D334 IonicContact NH2-OD1 2.63Å; R283-D334 PolarHBondContact NH2-OD1 3.08Å; R283-D334 IonicContact NH2-OD2 3.78Å; R283-D334 PolarHBondContact NH2-OD2 2.81Å; D334-V371 WeakPolarHBondContact O-CG1 3.44Å; D334-F372 HydrophobicContact CB-CE2 3.84Å; D334-F372 HydrophobicContact CB-CZ 4.21Å; D334-F372 VanDerWaalsContact O-CE2 3.29Å; D334-F372 WeakPolarHBondContact O-CE2 3.4Å; D334-F372 WeakPolarHBondContact O-CZ 3.36Å; D334-F372 PolarHBondContact O-N 3.37Å; D334-D373 HydrophobicContact CB-CB 4.08Å; D334-D373 PolarHBondContact N-O 2.81Å; D334-D373 PolarHBondContact O-N 3Å; D334-D373 VanDerWaalsContact O-N 3.11Å; D334-Y443 PolarHBondContact OD2-OH 3.23Å
335G97.5Very high91.9Very high0 Ų047.9 Ų47.90%024%0.243CC..EExtended strand (participates in β ladder)trans-157.8174.1-169.700000113R283 M284 Y369 C370R283-G335 WeakPolarHBondContact CD-O 3.29Å; M284-G335 PolarHBondContact N-O 2.69Å; M284-G335 PolarHBondContact O-N 3.07Å; G335-Y369 VanDerWaalsContact CA-CE2 3.44Å; G335-Y369 PolarHBondContact N-OH 3.01Å; G335-C370 CarbonylContact C-O 3.44Å; G335-C370 WeakPolarHBondContact CA-O 3.24Å
336E96.6Very high91.3Very high27 Ų2748 Ų4813%0.12625%0.25CC..EExtended strand (participates in β ladder)trans-110.1128173.4-152.975.5-169.500108.5L279 G281 E282 R283 M338 C370 F372L279-E336 HydrophobicContact CB-CB 4.22Å; L279-E336 HydrophobicContact CB-CG 4.18Å; L279-E336 HydrophobicContact CD1-CB 4.27Å; G281-E336 VanDerWaalsContact C-OE1 3.23Å; E282-E336 VanDerWaalsContact C-OE1 3.31Å; E282-E336 WeakPolarHBondContact CA-OE1 3.32Å; E282-E336 PolarHBondContact N-OE1 2.8Å; R283-E336 VanDerWaalsContact CA-OE2 3.28Å; R283-E336 WeakPolarHBondContact CA-OE2 3.31Å; R283-E336 WeakPolarHBondContact CD-OE2 3.45Å; R283-E336 PolarHBondContact N-OE1 3.28Å; R283-E336 PolarHBondContact N-OE2 3.36Å; R283-E336 IonicContact NH1-OE2 3.39Å; E336-M338 HydrophobicContact CG-SD 4.19Å; E336-C370 PolarHBondContact N-O 3.24Å; E336-C370 WeakPolarHBondContact O-CB 3.44Å; E336-C370 PolarHBondContact O-N 3.16Å; E336-F372 HydrophobicContact CB-CE1 4.36Å
337M94.6Very high91Very high0 Ų042.8 Ų42.80%022%0.219CC..EExtended strand (participates in β ladder)trans-83.2124.2173.7-155.866.272.300109.4G281 E282 M284 F307 L316 I356 T367 Y369G281-M337 CarbonylContact C-O 3.6Å; G281-M337 VanDerWaalsContact CA-O 3.3Å; G281-M337 WeakPolarHBondContact CA-O 3.37Å; E282-M337 PolarHBondContact N-O 2.98Å; E282-M337 WeakPolarHBondContact O-CB 2.88Å; E282-M337 PolarHBondContact O-N 2.82Å; M284-M337 HydrophobicContact CB-CB 4.44Å; M284-M337 HydrophobicContact CB-CE 4.05Å; M284-M337 HydrophobicContact CG-CE 3.91Å; F307-M337 HydrophobicContact CD1-CE 4.03Å; F307-M337 HydrophobicContact CD2-CE 4.41Å; F307-M337 HydrophobicContact CE1-CE 3.88Å; F307-M337 HydrophobicContact CE1-CG 3.86Å; F307-M337 HydrophobicContact CE1-SD 4.19Å; F307-M337 HydrophobicContact CE2-CE 4.26Å; F307-M337 HydrophobicContact CG-CE 4.3Å; F307-M337 HydrophobicContact CZ-CE 4Å; F307-M337 HydrophobicContact CZ-CG 3.99Å; L316-M337 HydrophobicContact CD2-CE 3.64Å; L316-M337 HydrophobicContact CD2-SD 3.9Å; M337-I356 HydrophobicContact CB-CG2 4.24Å; M337-I356 HydrophobicContact CG-CG2 3.67Å; M337-I356 WeakPolarHBondContact O-CD1 3.34Å; M337-T367 HydrophobicContact CG-CG2 3.6Å; M337-T367 HydrophobicContact SD-CG2 3.3Å; M337-T367 WeakPolarHBondContact SD-CG2 3.33Å; M337-Y369 HydrophobicContact CE-CD2 3.71Å; M337-Y369 HydrophobicContact CE-CE2 4.29Å; M337-Y369 HydrophobicContact CE-CG 4.11Å; M337-Y369 HydrophobicContact SD-CD2 3.92Å; M337-Y369 HydrophobicContact SD-CG 4.21Å
338M91.3Very high90.5Very high7 Ų740.1 Ų40.13%0.03420%0.203CC..EExtended strand (participates in β ladder)trans-117.5149.9-177.6-59.1-59.1-68.900110.5L279 G281 E336 F347 C368 C370L279-M338 HydrophobicContact CB-CE 4.32Å; L279-M338 HydrophobicContact CB-SD 3.85Å; L279-M338 HydrophobicContact CD2-CE 4.49Å; G281-M338 WeakPolarHBondContact CA-SD 3.44Å; G281-M338 PolarHBondContact N-SD 3.27Å; E336-M338 HydrophobicContact CG-SD 4.19Å; M338-F347 HydrophobicContact CB-CD1 3.62Å; M338-F347 HydrophobicContact CB-CE1 4.01Å; M338-F347 HydrophobicContact CB-CG 4.33Å; M338-F347 HydrophobicContact CE-CB 3.9Å; M338-F347 HydrophobicContact CE-CG 4.18Å; M338-F347 HydrophobicContact CG-CD1 4.19Å; M338-F347 HydrophobicContact CG-CE1 4.47Å; M338-C368 HydrophobicContact CB-CB 4.46Å; M338-C368 PolarHBondContact N-O 2.88Å; M338-C368 PolarHBondContact O-N 3.18Å; M338-C370 HydrophobicContact CG-CB 4.38Å; M338-C370 WeakPolarHBondContact CG-SG 3.33Å
339A89Confident89.5Confident0 Ų042.1 Ų42.10%021%0.212CC..EExtended strand (participates in β ladder)trans-87.7129.4162.300000108.8F347 M348 F354 I356 M359 L365A339-F347 WeakPolarHBondContact O-CA 3.31Å; A339-M348 HydrophobicContact CB-CB 4.13Å; A339-M348 PolarHBondContact O-N 2.93Å; A339-F354 HydrophobicContact CB-CD2 3.73Å; A339-F354 HydrophobicContact CB-CE1 4.44Å; A339-F354 HydrophobicContact CB-CE2 3.14Å; A339-F354 HydrophobicContact CB-CZ 3.57Å; A339-I356 HydrophobicContact CB-CD1 4.37Å; A339-I356 HydrophobicContact CB-CG1 4.14Å; A339-M359 HydrophobicContact CB-CE 4.49Å; A339-M359 HydrophobicContact CB-SD 4.1Å; A339-L365 HydrophobicContact CB-CD1 4.39Å
340Y88.7Confident88.4Confident16 Ų1640.2 Ų40.26%0.06320%0.202CC..EExtended strand (participates in β ladder)trans-116.1132-178.8-178.9-99.3000109.6P342 Q345 F347 L365 Q366 G403Y340-P342 HydrophobicContact CD1-CG 4.41Å; Y340-P342 WeakPolarHBondContact O-CD 3.46Å; Y340-Q345 WeakPolarHBondContact CE2-O 3.5Å; Y340-Q345 VanDerWaalsContact OH-CA 3.29Å; Y340-Q345 WeakPolarHBondContact OH-CA 3.37Å; Y340-Q345 WeakPolarHBondContact OH-CB 3.44Å; Y340-F347 AromaticContact CD2-CD1 3.82Å; Y340-F347 HydrophobicContact CD2-CD1 3.82Å; Y340-F347 AromaticContact CD2-CE1 3.57Å; Y340-F347 HydrophobicContact CD2-CE1 3.57Å; Y340-F347 HydrophobicContact CD2-CZ 4.24Å; Y340-F347 HydrophobicContact CE2-CE1 4.41Å; Y340-F347 HydrophobicContact CG-CE1 4.33Å; Y340-L365 WeakPolarHBondContact O-CA 3.48Å; Y340-Q366 HydrophobicContact CD1-CG 3.92Å; Y340-Q366 PolarHBondContact N-O 2.97Å; Y340-Q366 PolarHBondContact O-N 3.19Å; Y340-G403 VanDerWaalsContact CE1-CA 3.45Å
341N86.1Confident86.5Confident23 Ų2341 Ų4112%0.12321%0.211CC..EExtended strand (participates in β ladder)trans-93.9114.7171.6-175.6-23.5000109.1E343 T344 Q345 T346 M348 L365N341-E343 VanDerWaalsContact C-N 3.31Å; N341-E343 PolarHBondContact O-N 2.63Å; N341-E343 WeakPolarHBondContact OD1-CB 3.27Å; N341-E343 PolarHBondContact OD1-N 2.8Å; N341-T344 VanDerWaalsContact CB-OG1 3.31Å; N341-T344 WeakPolarHBondContact CB-OG1 3.4Å; N341-T344 VanDerWaalsContact CG-OG1 3.26Å; N341-T344 PolarHBondContact ND2-OG1 3.42Å; N341-T344 PolarHBondContact OD1-N 3.46Å; N341-Q345 WeakPolarHBondContact O-CA 3.43Å; N341-Q345 PolarHBondContact O-N 3.15Å; N341-T346 PolarHBondContact N-O 2.88Å; N341-T346 PolarHBondContact O-N 3.43Å; N341-M348 HydrophobicContact CB-CG 4.18Å; N341-M348 HydrophobicContact CB-SD 4.07Å; N341-L365 HydrophobicContact CB-CD2 3.59Å
342P86.4Confident84.7Confident56 Ų5644.6 Ų44.636%0.36423%0.23SC..THydrogen-bonded Turntrans-66-28.7178.7-20.534.1000114.5Y340 D364 Q366Y340-P342 HydrophobicContact CD1-CG 4.41Å; Y340-P342 WeakPolarHBondContact O-CD 3.46Å; P342-D364 WeakPolarHBondContact CD-O 3Å; P342-Q366 HydrophobicContact CG-CG 4.05Å
343E84.5Confident82.8Confident168 Ų16853.2 Ų53.279%0.78527%0.268SS*.THydrogen-bonded Turntrans-73.7-47.6-177.2-59.4-174.8161.500111.5N341N341-E343 VanDerWaalsContact C-N 3.31Å; N341-E343 PolarHBondContact O-N 2.63Å; N341-E343 WeakPolarHBondContact OD1-CB 3.27Å; N341-E343 PolarHBondContact OD1-N 2.8Å
344T81.1Confident81.1Confident78 Ų7855.1 Ų55.148%0.47928%0.276SS..THydrogen-bonded Turntrans-88.7-10.6179.259.20000112.8N341 T346N341-T344 VanDerWaalsContact CB-OG1 3.31Å; N341-T344 WeakPolarHBondContact CB-OG1 3.4Å; N341-T344 VanDerWaalsContact CG-OG1 3.26Å; N341-T344 PolarHBondContact ND2-OG1 3.42Å; N341-T344 PolarHBondContact OD1-N 3.46Å; T344-T346 WeakPolarHBondContact O-CG2 3.42Å; T344-T346 PolarHBondContact O-N 2.59Å; T344-T346 PolarHBondContact OG1-OG1 2.8Å
345Q84.3Confident79.6Confident142 Ų14258.1 Ų58.166%0.66429%0.292SS*.THydrogen-bonded Turntrans5628.5-174.4-59.9-173.2-10.900114.4Y340 N341Y340-Q345 WeakPolarHBondContact CE2-O 3.5Å; Y340-Q345 VanDerWaalsContact OH-CA 3.29Å; Y340-Q345 WeakPolarHBondContact OH-CA 3.37Å; Y340-Q345 WeakPolarHBondContact OH-CB 3.44Å; N341-Q345 WeakPolarHBondContact O-CA 3.43Å; N341-Q345 PolarHBondContact O-N 3.15Å
346T82.3Confident78.2Confident72 Ų7258.4 Ų58.444%0.44229%0.294SS..EExtended strand (participates in β ladder)trans-116.5155.3-17753.80000112.4N341 T344N341-T346 PolarHBondContact N-O 2.88Å; N341-T346 PolarHBondContact O-N 3.43Å; T344-T346 WeakPolarHBondContact O-CG2 3.42Å; T344-T346 PolarHBondContact O-N 2.59Å; T344-T346 PolarHBondContact OG1-OG1 2.8Å
347F84.8Confident76.7Confident68 Ų6859.3 Ų59.330%0.29830%0.297SS..EExtended strand (participates in β ladder)trans-77.9130.9168.6-65-57.5000110.7M338 A339 Y340 C368 H406M338-F347 HydrophobicContact CB-CD1 3.62Å; M338-F347 HydrophobicContact CB-CE1 4.01Å; M338-F347 HydrophobicContact CB-CG 4.33Å; M338-F347 HydrophobicContact CE-CB 3.9Å; M338-F347 HydrophobicContact CE-CG 4.18Å; M338-F347 HydrophobicContact CG-CD1 4.19Å; M338-F347 HydrophobicContact CG-CE1 4.47Å; A339-F347 WeakPolarHBondContact O-CA 3.31Å; Y340-F347 AromaticContact CD2-CD1 3.82Å; Y340-F347 HydrophobicContact CD2-CD1 3.82Å; Y340-F347 AromaticContact CD2-CE1 3.57Å; Y340-F347 HydrophobicContact CD2-CE1 3.57Å; Y340-F347 HydrophobicContact CD2-CZ 4.24Å; Y340-F347 HydrophobicContact CE2-CE1 4.41Å; Y340-F347 HydrophobicContact CG-CE1 4.33Å; F347-C368 HydrophobicContact CE1-CB 3.94Å; F347-H406 AromaticContact CE2-NE2 3.88Å; F347-H406 AromaticContact CZ-NE2 3.26Å; F347-H406 VanDerWaalsContact CZ-NE2 3.26Å; F347-H406 WeakPolarHBondContact CZ-NE2 3.19Å
348M79.9Confident75.3Confident46 Ų4668.6 Ų68.623%0.22733%0.332CS..EExtended strand (participates in β ladder)trans-82.4135174.1-59.1-61.2-71.500109.6A339 N341 F354 L365A339-M348 HydrophobicContact CB-CB 4.13Å; A339-M348 PolarHBondContact O-N 2.93Å; N341-M348 HydrophobicContact CB-CG 4.18Å; N341-M348 HydrophobicContact CB-SD 4.07Å; M348-F354 HydrophobicContact CB-CE1 3.4Å; M348-F354 VanDerWaalsContact CB-CE1 3.4Å; M348-F354 HydrophobicContact CB-CE2 4.45Å; M348-F354 HydrophobicContact CB-CZ 3.36Å; M348-F354 HydrophobicContact CG-CE1 4.33Å; M348-L365 HydrophobicContact CB-CD1 4.41Å; M348-L365 HydrophobicContact CG-CD1 3.93Å; M348-L365 HydrophobicContact CG-CD2 3.58Å; M348-L365 HydrophobicContact CG-CG 4.39Å; M348-L365 HydrophobicContact SD-CD2 4.35Å
349Q72.6Confident74.1Confident53 Ų5369.3 Ų69.325%0.24834%0.335CS..PPolyproline II helixtrans-80.1146.9179.4-57.2-174.96.600111.2G351 N352 F354 R430 E568Q349-G351 PolarHBondContact O-N 3.36Å; Q349-G351 VanDerWaalsContact O-N 3.07Å; Q349-N352 WeakPolarHBondContact O-CB 3.35Å; Q349-N352 PolarHBondContact O-N 3.45Å; Q349-N352 VanDerWaalsContact O-N 3.15Å; Q349-F354 WeakPolarHBondContact O-CZ 3.36Å; Q349-R430 PolarHBondContact NE2-O 3.07Å; Q349-E568 PolarHBondContact OE1-OE2 3.44Å
350K68.3Low72.7Confident84 Ų8474.2 Ų74.237%0.36537%0.365SS..THydrogen-bonded Turntrans-62.8-16.6-176.6-174.1173.1-169.5162.70114.6E282 N352E282-K350 IonicContact OE1-NZ 3.08Å; E282-K350 PolarHBondContact OE1-NZ 3.18Å; K350-N352 PolarHBondContact O-N 2.87Å
351G55.7Low71Confident20 Ų2081.4 Ų81.421%0.20640%0.4CS..THydrogen-bonded Turntrans-63.9-16.9174.700000114.2Q349Q349-G351 PolarHBondContact O-N 3.36Å; Q349-G351 VanDerWaalsContact O-N 3.07Å
352N60.1Low69.3Low77 Ų7789.4 Ų89.441%0.41244%0.436SS..SBendtrans-82.5156.9177.2-69.5-29.7000111.6Q349 K350 F354Q349-N352 WeakPolarHBondContact O-CB 3.35Å; Q349-N352 PolarHBondContact O-N 3.45Å; Q349-N352 VanDerWaalsContact O-N 3.15Å; K350-N352 PolarHBondContact O-N 2.87Å; N352-F354 HydrophobicContact CB-CD1 3.81Å; N352-F354 HydrophobicContact CB-CE1 3.52Å; N352-F354 PolarHBondContact O-N 3.2Å
353K58Low68.3Low181 Ų18189.1 Ų89.179%0.78744%0.436SS*.SBendtrans-69.334.2-170.2-64.4-176.1178.2-1790115.6
354F62.8Low68Low39 Ų3987.8 Ų87.817%0.17143%0.434CS..  trans-118.7142.7175.164.9-93.9000111.2A339 M348 Q349 N352 I356 M359 L365A339-F354 HydrophobicContact CB-CD2 3.73Å; A339-F354 HydrophobicContact CB-CE1 4.44Å; A339-F354 HydrophobicContact CB-CE2 3.14Å; A339-F354 HydrophobicContact CB-CZ 3.57Å; M348-F354 HydrophobicContact CB-CE1 3.4Å; M348-F354 VanDerWaalsContact CB-CE1 3.4Å; M348-F354 HydrophobicContact CB-CE2 4.45Å; M348-F354 HydrophobicContact CB-CZ 3.36Å; M348-F354 HydrophobicContact CG-CE1 4.33Å; Q349-F354 WeakPolarHBondContact O-CZ 3.36Å; N352-F354 HydrophobicContact CB-CD1 3.81Å; N352-F354 HydrophobicContact CB-CE1 3.52Å; N352-F354 PolarHBondContact O-N 3.2Å; F354-I356 HydrophobicContact CD2-CG1 3.98Å; F354-I356 HydrophobicContact CE2-CD1 4.24Å; F354-I356 HydrophobicContact CE2-CG1 3.76Å; F354-M359 HydrophobicContact CD2-SD 4.29Å; F354-L365 HydrophobicContact CD1-CD1 3.74Å; F354-L365 HydrophobicContact CE1-CD1 4.08Å; F354-L365 HydrophobicContact CG-CD1 4.02Å
355D66.4Low68.1Low63 Ų6385.3 Ų85.334%0.33742%0.418SS..  trans-109.2108173.2-1790.5000107.5K357 R358 M359D355-K357 PolarHBondContact O-N 2.74Å; D355-K357 WeakPolarHBondContact OD1-CB 3.47Å; D355-K357 PolarHBondContact OD1-N 2.84Å; D355-R358 HydrophobicContact CB-CB 4.2Å; D355-R358 HydrophobicContact CB-CG 4.43Å; D355-R358 CarbonylContact O-C 3.6Å; D355-R358 PolarHBondContact O-N 3Å; D355-R358 WeakPolarHBondContact OD2-CD 3.43Å; D355-R358 WeakPolarHBondContact OD2-CG 3.32Å; D355-R358 IonicContact OD2-NE 2.69Å; D355-M359 WeakPolarHBondContact O-CG 3.43Å; D355-M359 PolarHBondContact O-N 3.38Å; D355-M359 VanDerWaalsContact O-N 3.11Å
356I69.8Low68.3Low7 Ų780.5 Ų80.54%0.03640%0.395CS..G310 helixtrans-52.9-30.2-179.7-57.6172.9000110.5E282 Q306 M337 A339 F354 R358 M359E282-I356 HydrophobicContact CG-CD1 4.49Å; Q306-I356 PolarHBondContact NE2-O 2.89Å; M337-I356 HydrophobicContact CB-CG2 4.24Å; M337-I356 HydrophobicContact CG-CG2 3.67Å; M337-I356 WeakPolarHBondContact O-CD1 3.34Å; A339-I356 HydrophobicContact CB-CD1 4.37Å; A339-I356 HydrophobicContact CB-CG1 4.14Å; F354-I356 HydrophobicContact CD2-CG1 3.98Å; F354-I356 HydrophobicContact CE2-CD1 4.24Å; F354-I356 HydrophobicContact CE2-CG1 3.76Å; I356-R358 VanDerWaalsContact C-N 3.26Å; I356-R358 PolarHBondContact O-N 3.06Å; I356-M359 HydrophobicContact CB-SD 4.4Å; I356-M359 HydrophobicContact CG1-SD 4.33Å; I356-M359 HydrophobicContact CG2-SD 4.48Å
357K64.1Low68.8Low45 Ų4577.2 Ų77.220%0.19638%0.375CS..G310 helixtrans-78.5-1.2178.1-75.4166.5168.1142.80115.8E282 Y303 Q306 D355E282-K357 IonicContact OE1-NZ 2.82Å; E282-K357 PolarHBondContact OE1-NZ 2.92Å; E282-K357 WeakPolarHBondContact OE2-CD 2.94Å; E282-K357 WeakPolarHBondContact OE2-CE 3.47Å; E282-K357 WeakPolarHBondContact OE2-CG 3.42Å; E282-K357 IonicContact OE2-NZ 3.55Å; E282-K357 PolarHBondContact OE2-NZ 3.47Å; Y303-K357 HydrophobicContact CD1-CB 4.19Å; Y303-K357 HydrophobicContact CD1-CD 4.18Å; Y303-K357 HydrophobicContact CD1-CG 3.82Å; Y303-K357 HydrophobicContact CE1-CB 3.74Å; Y303-K357 HydrophobicContact CE1-CD 3.41Å; Y303-K357 VanDerWaalsContact CE1-CD 3.41Å; Y303-K357 HydrophobicContact CE1-CG 3.49Å; Y303-K357 VanDerWaalsContact CE1-CG 3.49Å; Y303-K357 HydrophobicContact CE2-CD 4.17Å; Y303-K357 VanDerWaalsContact CZ-CD 3.41Å; Y303-K357 WeakPolarHBondContact OH-CD 3.42Å; Y303-K357 WeakPolarHBondContact OH-CE 3.35Å; Q306-K357 VanDerWaalsContact CD-CA 3.44Å; Q306-K357 PolarHBondContact NE2-O 3.11Å; Q306-K357 PolarHBondContact OE1-O 3.09Å; D355-K357 PolarHBondContact O-N 2.74Å; D355-K357 WeakPolarHBondContact OD1-CB 3.47Å; D355-K357 PolarHBondContact OD1-N 2.84Å
358R65.6Low69.2Low195 Ų19574 Ų7474%0.73636%0.361SS*.G310 helixtrans-137.310.8-179-61.4-177.9179-174.7-0.3112.3D355 I356 V360D355-R358 HydrophobicContact CB-CB 4.2Å; D355-R358 HydrophobicContact CB-CG 4.43Å; D355-R358 CarbonylContact O-C 3.6Å; D355-R358 PolarHBondContact O-N 3Å; D355-R358 WeakPolarHBondContact OD2-CD 3.43Å; D355-R358 WeakPolarHBondContact OD2-CG 3.32Å; D355-R358 IonicContact OD2-NE 2.69Å; I356-R358 VanDerWaalsContact C-N 3.26Å; I356-R358 PolarHBondContact O-N 3.06Å; R358-V360 PolarHBondContact O-N 2.96Å
359M65.9Low70Confident22 Ų2271.8 Ų71.811%0.10835%0.35CS..  trans-62123176.2-71.8179.966.600108.7A339 F354 D355 I356 L365A339-M359 HydrophobicContact CB-CE 4.49Å; A339-M359 HydrophobicContact CB-SD 4.1Å; F354-M359 HydrophobicContact CD2-SD 4.29Å; D355-M359 WeakPolarHBondContact O-CG 3.43Å; D355-M359 PolarHBondContact O-N 3.38Å; D355-M359 VanDerWaalsContact O-N 3.11Å; I356-M359 HydrophobicContact CB-SD 4.4Å; I356-M359 HydrophobicContact CG1-SD 4.33Å; I356-M359 HydrophobicContact CG2-SD 4.48Å; M359-L365 HydrophobicContact CE-CB 3.4Å; M359-L365 VanDerWaalsContact CE-CB 3.4Å; M359-L365 WeakPolarHBondContact CE-O 3.38Å
360V59.4Low71.2Confident104 Ų10469.3 Ų69.363%0.6334%0.338SS*.  trans-92.8156175.2-173.80000107.8R358 E362 S363R358-V360 PolarHBondContact O-N 2.96Å; V360-E362 PolarHBondContact O-N 2.85Å; V360-E362 VanDerWaalsContact O-N 3.1Å; V360-S363 WeakPolarHBondContact O-CB 3.5Å; V360-S363 PolarHBondContact O-N 2.74Å
361E53.9Low72.6Confident167 Ų16765.3 Ų65.378%0.7832%0.321SS*.THydrogen-bonded Turntrans-57.1-21.5-179.2-66.7175.5171.300114.3S363E361-S363 VanDerWaalsContact C-N 3.26Å; E361-S363 PolarHBondContact O-N 3.47Å
362E50.5Low74.6Confident190 Ų19065 Ų6589%0.88831%0.314SS*.THydrogen-bonded Turntrans-83.214.6179.2-62.3-177.7169.800114.6V360V360-E362 PolarHBondContact O-N 2.85Å; V360-E362 VanDerWaalsContact O-N 3.1Å
363S63.5Low76.4Confident51 Ų5161.3 Ų61.336%0.35729%0.294SS..SBendtrans-92.2140.1179.7159.80000111.6V360 E361 L365V360-S363 WeakPolarHBondContact O-CB 3.5Å; V360-S363 PolarHBondContact O-N 2.74Å; E361-S363 VanDerWaalsContact C-N 3.26Å; E361-S363 PolarHBondContact O-N 3.47Å; S363-L365 PolarHBondContact O-N 3.11Å; S363-L365 VanDerWaalsContact O-N 3.1Å; S363-L365 PolarHBondContact OG-N 2.98Å; S363-L365 VanDerWaalsContact OG-N 3.09Å; S363-L365 PolarHBondContact OG-O 3.35Å; S363-L365 VanDerWaalsContact OG-O 3.11Å
364D78.5Confident78.3Confident139 Ų13952.7 Ų52.774%0.74326%0.257SS*.SBendtrans-61.6-16.9172.5-55.6-38.5000113P342P342-D364 WeakPolarHBondContact CD-O 3Å
365L84.1Confident80Confident27 Ų2751 Ų5114%0.14125%0.249CC..SBendtrans-99.5142.9177-55.9178.4000111.2A339 Y340 N341 M348 F354 M359 S363A339-L365 HydrophobicContact CB-CD1 4.39Å; Y340-L365 WeakPolarHBondContact O-CA 3.48Å; N341-L365 HydrophobicContact CB-CD2 3.59Å; M348-L365 HydrophobicContact CB-CD1 4.41Å; M348-L365 HydrophobicContact CG-CD1 3.93Å; M348-L365 HydrophobicContact CG-CD2 3.58Å; M348-L365 HydrophobicContact CG-CG 4.39Å; M348-L365 HydrophobicContact SD-CD2 4.35Å; F354-L365 HydrophobicContact CD1-CD1 3.74Å; F354-L365 HydrophobicContact CE1-CD1 4.08Å; F354-L365 HydrophobicContact CG-CD1 4.02Å; M359-L365 HydrophobicContact CE-CB 3.4Å; M359-L365 VanDerWaalsContact CE-CB 3.4Å; M359-L365 WeakPolarHBondContact CE-O 3.38Å; S363-L365 PolarHBondContact O-N 3.11Å; S363-L365 VanDerWaalsContact O-N 3.1Å; S363-L365 PolarHBondContact OG-N 2.98Å; S363-L365 VanDerWaalsContact OG-N 3.09Å; S363-L365 PolarHBondContact OG-O 3.35Å; S363-L365 VanDerWaalsContact OG-O 3.11Å
366Q88.6Confident81.5Confident41 Ų4148.5 Ų48.519%0.19224%0.236CC..EExtended strand (participates in β ladder)trans-112.9156.4175.367.1-177.82300112.5Y340 P342 G403Y340-Q366 HydrophobicContact CD1-CG 3.92Å; Y340-Q366 PolarHBondContact N-O 2.97Å; Y340-Q366 PolarHBondContact O-N 3.19Å; P342-Q366 HydrophobicContact CG-CG 4.05Å; Q366-G403 VanDerWaalsContact NE2-C 3.29Å; Q366-G403 PolarHBondContact NE2-O 3.04Å
367T91.4Very high82.8Confident3 Ų349.4 Ų49.42%0.01824%0.241CC..EExtended strand (participates in β ladder)trans-78128.3176.2-57.30000110.4F307 S315 L316 M337F307-T367 HydrophobicContact CD1-CG2 4.13Å; F307-T367 HydrophobicContact CE1-CG2 3.89Å; S315-T367 PolarHBondContact OG-OG1 2.96Å; L316-T367 HydrophobicContact CB-CG2 4.33Å; L316-T367 HydrophobicContact CD1-CG2 4.28Å; M337-T367 HydrophobicContact CG-CG2 3.6Å; M337-T367 HydrophobicContact SD-CG2 3.3Å; M337-T367 WeakPolarHBondContact SD-CG2 3.33Å
368C93.9Very high84.2Confident0 Ų050.3 Ų50.30%025%0.248CC..EExtended strand (participates in β ladder)trans-122.9127.2175.3-175.50000110.9M338 F347 G403 R404M338-C368 HydrophobicContact CB-CB 4.46Å; M338-C368 PolarHBondContact N-O 2.88Å; M338-C368 PolarHBondContact O-N 3.18Å; F347-C368 HydrophobicContact CE1-CB 3.94Å; C368-G403 VanDerWaalsContact CB-O 3.29Å; C368-G403 WeakPolarHBondContact CB-O 3.44Å; C368-G403 VanDerWaalsContact SG-C 3.51Å; C368-R404 CarbonylContact C-O 3.57Å; C368-R404 WeakPolarHBondContact CA-O 3.26Å
369Y97.2Very high85.5Confident0 Ų046.5 Ų46.50%024%0.242CC..EExtended strand (participates in β ladder)trans-99110.7178.3-170.3-142.1000111.8M284 M286 L316 L333 G335 M337 V371 R404 M405 H406M284-Y369 HydrophobicContact CB-CE2 4.1Å; M284-Y369 WeakPolarHBondContact O-CE2 3.36Å; M284-Y369 PolarHBondContact O-OH 3.38Å; M286-Y369 HydrophobicContact CB-CE1 3.81Å; M286-Y369 PolarHBondContact N-OH 2.8Å; M286-Y369 HydrophobicContact SD-CE1 4.31Å; L316-Y369 HydrophobicContact CD2-CG 4.36Å; L333-Y369 HydrophobicContact CB-CE1 4.13Å; L333-Y369 HydrophobicContact CD1-CE1 4.43Å; L333-Y369 PolarHBondContact O-OH 3.05Å; G335-Y369 VanDerWaalsContact CA-CE2 3.44Å; G335-Y369 PolarHBondContact N-OH 3.01Å; M337-Y369 HydrophobicContact CE-CD2 3.71Å; M337-Y369 HydrophobicContact CE-CE2 4.29Å; M337-Y369 HydrophobicContact CE-CG 4.11Å; M337-Y369 HydrophobicContact SD-CD2 3.92Å; M337-Y369 HydrophobicContact SD-CG 4.21Å; Y369-V371 HydrophobicContact CD1-CG2 3.6Å; Y369-V371 HydrophobicContact CE1-CG2 3.63Å; Y369-V371 HydrophobicContact CG-CG2 4.18Å; Y369-R404 PolarHBondContact N-O 2.86Å; Y369-M405 HydrophobicContact CD1-SD 4.36Å; Y369-M405 VanDerWaalsContact O-CA 3.27Å; Y369-M405 WeakPolarHBondContact O-CA 3.28Å; Y369-H406 PolarHBondContact O-N 3.27Å; Y369-H406 VanDerWaalsContact O-N 3.1Å
370C97.1Very high86.9Confident0 Ų050.7 Ų50.70%026%0.261CS..EExtended strand (participates in β ladder)trans-97.6101.2-178.3-55.90000109.5L279 G335 E336 M338 H406 V408L279-C370 HydrophobicContact CD1-CB 3.27Å; G335-C370 CarbonylContact C-O 3.44Å; G335-C370 WeakPolarHBondContact CA-O 3.24Å; E336-C370 PolarHBondContact N-O 3.24Å; E336-C370 WeakPolarHBondContact O-CB 3.44Å; E336-C370 PolarHBondContact O-N 3.16Å; M338-C370 HydrophobicContact CG-CB 4.38Å; M338-C370 WeakPolarHBondContact CG-SG 3.33Å; C370-H406 CarbonylContact C-O 3.53Å; C370-H406 WeakPolarHBondContact CA-O 3.32Å; C370-H406 PolarHBondContact SG-NE2 3.39Å; C370-V408 HydrophobicContact CB-CG2 4.03Å
371V98.1Very high88.7Confident0 Ų049.9 Ų49.90%025%0.249CC..EExtended strand (participates in β ladder)trans-89.9131.5-171.3-1710000110.7L333 D334 Y369 L394 F398 M405 H406 A407 V408L333-V371 HydrophobicContact CB-CG1 3.93Å; L333-V371 HydrophobicContact CD1-CG1 4.12Å; L333-V371 HydrophobicContact CD1-CG2 4.07Å; L333-V371 HydrophobicContact CD2-CG1 4.18Å; L333-V371 HydrophobicContact CG-CG1 4.31Å; D334-V371 WeakPolarHBondContact O-CG1 3.44Å; Y369-V371 HydrophobicContact CD1-CG2 3.6Å; Y369-V371 HydrophobicContact CE1-CG2 3.63Å; Y369-V371 HydrophobicContact CG-CG2 4.18Å; V371-L394 HydrophobicContact CB-CD1 4.47Å; V371-L394 HydrophobicContact CG1-CD1 3.67Å; V371-L394 HydrophobicContact CG1-CD2 4.27Å; V371-F398 HydrophobicContact CB-CE1 4.2Å; V371-F398 HydrophobicContact CB-CZ 4.17Å; V371-F398 HydrophobicContact CG1-CE1 4.47Å; V371-F398 HydrophobicContact CG2-CE1 4.12Å; V371-F398 HydrophobicContact CG2-CZ 4.08Å; V371-M405 HydrophobicContact CG2-CG 4.27Å; V371-H406 PolarHBondContact N-O 2.94Å; V371-A407 CarbonylContact O-C 2.82Å; V371-A407 VanDerWaalsContact O-CA 3.29Å; V371-A407 WeakPolarHBondContact O-CA 3.29Å; V371-V408 PolarHBondContact O-N 2.96Å
372F97.6Very high90.7Very high13 Ų1341.9 Ų41.96%0.05721%0.212CC..EExtended strand (participates in β ladder)trans-127.21.5176.756.1-105.6000113.2R283 D334 E336 Y391 V408 W452R283-F372 VanDerWaalsContact NE-CZ 3.33Å; D334-F372 HydrophobicContact CB-CE2 3.84Å; D334-F372 HydrophobicContact CB-CZ 4.21Å; D334-F372 VanDerWaalsContact O-CE2 3.29Å; D334-F372 WeakPolarHBondContact O-CE2 3.4Å; D334-F372 WeakPolarHBondContact O-CZ 3.36Å; D334-F372 PolarHBondContact O-N 3.37Å; E336-F372 HydrophobicContact CB-CE1 4.36Å; F372-Y391 WeakPolarHBondContact O-CE1 3.14Å; F372-Y391 PolarHBondContact O-OH 3.3Å; F372-Y391 VanDerWaalsContact O-OH 3.14Å; F372-V408 HydrophobicContact CB-CB 4.01Å; F372-V408 HydrophobicContact CB-CG2 3.91Å; F372-V408 HydrophobicContact CD1-CG2 4.28Å; F372-W452 HydrophobicContact CD2-CH2 4.13Å; F372-W452 HydrophobicContact CE2-CH2 4.11Å
373D98.1Very high92.7Very high0 Ų033.5 Ų33.50%018%0.176CC..EExtended strand (participates in β ladder)trans-154.7159.6172.9-141.6-37.9000112.1D334 R390 Y443 W452D334-D373 HydrophobicContact CB-CB 4.08Å; D334-D373 PolarHBondContact N-O 2.81Å; D334-D373 PolarHBondContact O-N 3Å; D334-D373 VanDerWaalsContact O-N 3.11Å; D373-R390 IonicContact OD1-CZ 3.66Å; D373-R390 IonicContact OD1-NE 3.35Å; D373-R390 PolarHBondContact OD1-NE 3.02Å; D373-R390 IonicContact OD1-NH2 2.82Å; D373-R390 IonicContact OD2-CZ 2.75Å; D373-R390 IonicContact OD2-NE 3.9Å; D373-R390 PolarHBondContact OD2-NE 3.25Å; D373-R390 IonicContact OD2-NH2 3.3Å; D373-R390 PolarHBondContact OD2-NH2 2.99Å; D373-Y443 WeakPolarHBondContact OD2-CD2 3.4Å; D373-W452 WeakPolarHBondContact OD2-CZ2 3.45Å
374V98Very high94.2Very high0 Ų037.7 Ų37.70%019%0.19CC..EExtended strand (participates in β ladder)trans-134.7127.517658.50000109.4I332 L333 L382 R390 I393 L394 V397I332-V374 WeakPolarHBondContact O-CA 3.46Å; L333-V374 HydrophobicContact CD2-CB 3.97Å; L333-V374 HydrophobicContact CD2-CG2 3.88Å; V374-L382 HydrophobicContact CG1-CD1 3.97Å; V374-L382 HydrophobicContact CG2-CD1 4.01Å; V374-R390 HydrophobicContact CG1-CB 4.22Å; V374-R390 WeakPolarHBondContact CG1-O 3.35Å; V374-I393 HydrophobicContact CG1-CB 4.29Å; V374-I393 HydrophobicContact CG1-CG2 4.15Å; V374-L394 HydrophobicContact CB-CD1 4.26Å; V374-L394 HydrophobicContact CG1-CB 4Å; V374-V397 HydrophobicContact CG2-CG2 4.27Å
375L97.8Very high95.1Very high3 Ų334.9 Ų34.92%0.01617%0.172CC..EExtended strand (participates in β ladder)trans-112.8-14.3-171.2-55-179.5000113.3I245 F251 I332 L382 Y443I245-L375 HydrophobicContact CD1-CB 4.21Å; I245-L375 HydrophobicContact CD1-CD1 3.58Å; I245-L375 HydrophobicContact CD1-CG 4.34Å; F251-L375 HydrophobicContact CD2-CD1 4.21Å; F251-L375 HydrophobicContact CE1-CD1 3.8Å; F251-L375 HydrophobicContact CE2-CD1 3.41Å; F251-L375 VanDerWaalsContact CE2-CD1 3.41Å; F251-L375 HydrophobicContact CZ-CD1 3.17Å; I332-L375 HydrophobicContact CB-CB 4.3Å; I332-L375 HydrophobicContact CG2-CB 4.11Å; I332-L375 PolarHBondContact O-N 3.49Å; L375-L382 PolarHBondContact O-N 3.21Å; L375-Y443 HydrophobicContact CD1-CD1 4.1Å; L375-Y443 HydrophobicContact CD1-CD2 4.42Å; L375-Y443 HydrophobicContact CD1-CE1 3.82Å; L375-Y443 HydrophobicContact CD1-CE2 4.12Å; L375-Y443 HydrophobicContact CD1-CG 4.38Å; L375-Y443 HydrophobicContact CD2-CD1 3.92Å; L375-Y443 HydrophobicContact CD2-CD2 3.41Å; L375-Y443 VanDerWaalsContact CD2-CD2 3.41Å; L375-Y443 HydrophobicContact CD2-CE1 4.35Å; L375-Y443 HydrophobicContact CD2-CE2 3.85Å; L375-Y443 HydrophobicContact CD2-CG 3.43Å; L375-Y443 VanDerWaalsContact CD2-CG 3.43Å
376M97.6Very high95.7Very high11 Ų1134.6 Ų34.65%0.05417%0.174CC..EExtended strand (participates in β ladder)trans-154.4141.8175.2-177.5176.8-75.800109.8L247 C331 I332 Q380 K381L247-M376 HydrophobicContact CB-SD 4.12Å; C331-M376 WeakPolarHBondContact CA-O 3.21Å; C331-M376 WeakPolarHBondContact CB-O 3.48Å; I332-M376 HydrophobicContact CB-CB 3.95Å; I332-M376 HydrophobicContact CD1-CB 3.8Å; I332-M376 HydrophobicContact CD1-CE 4.09Å; I332-M376 HydrophobicContact CD1-SD 3.9Å; I332-M376 HydrophobicContact CG1-CB 3.79Å; I332-M376 HydrophobicContact CG1-SD 4.29Å; I332-M376 PolarHBondContact N-O 3.24Å; M376-Q380 VanDerWaalsContact CA-O 3.28Å; M376-Q380 WeakPolarHBondContact CA-O 3.15Å; M376-K381 HydrophobicContact CE-CG 4.25Å
377L97.1Very high96.2Very high27 Ų2732.6 Ų32.614%0.14116%0.164CC..EExtended strand (participates in β ladder)trans-145.1121.1170.217964.3000109.2V328 C331 D379 Q380 L382 I393 V397V328-L377 HydrophobicContact CB-CD1 4.39Å; V328-L377 HydrophobicContact CG1-CD1 3.81Å; V328-L377 HydrophobicContact CG2-CD1 4.03Å; C331-L377 HydrophobicContact CB-CD1 4.29Å; L377-D379 PolarHBondContact O-N 3.31Å; L377-Q380 PolarHBondContact N-O 3.44Å; L377-Q380 VanDerWaalsContact N-O 3.09Å; L377-Q380 VanDerWaalsContact O-CB 3.24Å; L377-Q380 WeakPolarHBondContact O-CB 3.47Å; L377-Q380 PolarHBondContact O-N 3.07Å; L377-L382 HydrophobicContact CB-CD1 4.35Å; L377-I393 HydrophobicContact CB-CG2 4.42Å; L377-I393 HydrophobicContact CD2-CG2 3.54Å; L377-V397 HydrophobicContact CD1-CG2 4.25Å; L377-V397 HydrophobicContact CD2-CG2 4.36Å
378N95.1Very high96.4Very high63 Ų6333.9 Ų33.934%0.33717%0.174SC..THydrogen-bonded Turntrans46.656.5179.4-61.2-22000112.9N327 Q329 N330 Q380N327-N378 PolarHBondContact O-ND2 3.36Å; Q329-N378 PolarHBondContact N-OD1 3.36Å; N330-N378 PolarHBondContact N-OD1 3.35Å; N330-N378 PolarHBondContact O-N 3.42Å; N330-N378 WeakPolarHBondContact OD1-CA 3.35Å; N330-N378 PolarHBondContact OD1-N 3.34Å; N378-Q380 PolarHBondContact O-N 3.31Å
379D93.1Very high96.6Very high116 Ų11638.2 Ų38.262%0.6219%0.192SC*.THydrogen-bonded Turntrans64.8-6.5-177.7-55-48.3000115.9N330 L377 K381N330-D379 VanDerWaalsContact ND2-CG 3.35Å; N330-D379 PolarHBondContact ND2-OD1 3.02Å; N330-D379 PolarHBondContact OD1-N 3.47Å; L377-D379 PolarHBondContact O-N 3.31Å; D379-K381 PolarHBondContact O-N 2.75Å
380Q95.1Very high96.6Very high109 Ų10938.2 Ų38.251%0.50919%0.192SC..EExtended strand (participates in β ladder)trans-75.2115.7171.6-169.5-179.7-5.600109.9M376 L377 N378 L382M376-Q380 VanDerWaalsContact CA-O 3.28Å; M376-Q380 WeakPolarHBondContact CA-O 3.15Å; L377-Q380 PolarHBondContact N-O 3.44Å; L377-Q380 VanDerWaalsContact N-O 3.09Å; L377-Q380 VanDerWaalsContact O-CB 3.24Å; L377-Q380 WeakPolarHBondContact O-CB 3.47Å; L377-Q380 PolarHBondContact O-N 3.07Å; N378-Q380 PolarHBondContact O-N 3.31Å; Q380-L382 HydrophobicContact CG-CD2 4Å
381K95.4Very high96.6Very high87 Ų8738.6 Ų38.638%0.37819%0.194SC..EExtended strand (participates in β ladder)trans-75.7127.3174.3-59.3175.4-175.5-176.50109.7D242 S244 M376 D379D242-K381 IonicContact OD2-NZ 2.68Å; D242-K381 PolarHBondContact OD2-NZ 3.41Å; S244-K381 VanDerWaalsContact OG-CD 3.3Å; S244-K381 WeakPolarHBondContact OG-CD 3.48Å; S244-K381 WeakPolarHBondContact OG-CE 3.42Å; S244-K381 PolarHBondContact OG-NZ 2.62Å; M376-K381 HydrophobicContact CE-CG 4.25Å; D379-K381 PolarHBondContact O-N 2.75Å
382L96.4Very high96.6Very high0 Ų043.4 Ų43.40%022%0.216CC..  trans-110.4-1.4-175.8-57175.4000113.4V374 L375 L377 Q380 H384 E385 R390 I393V374-L382 HydrophobicContact CG1-CD1 3.97Å; V374-L382 HydrophobicContact CG2-CD1 4.01Å; L375-L382 PolarHBondContact O-N 3.21Å; L377-L382 HydrophobicContact CB-CD1 4.35Å; Q380-L382 HydrophobicContact CG-CD2 4Å; L382-H384 PolarHBondContact O-N 3.25Å; L382-H384 VanDerWaalsContact O-N 3.16Å; L382-E385 HydrophobicContact CD2-CG 4.09Å; L382-E385 WeakPolarHBondContact O-CB 3.47Å; L382-E385 PolarHBondContact O-N 2.85Å; L382-R390 HydrophobicContact CB-CG 4.3Å; L382-R390 WeakPolarHBondContact O-CD 3.34Å; L382-I393 HydrophobicContact CD1-CD1 3.87Å; L382-I393 HydrophobicContact CD1-CG2 3.95Å; L382-I393 HydrophobicContact CD2-CD1 3.61Å; L382-I393 HydrophobicContact CG-CD1 4.38Å
383G93.6Very high96.5Very high13 Ų1343.9 Ų43.913%0.13422%0.219CC..THydrogen-bonded Turntrans-58-32.3-175.600000114.6Y443G383-Y443 PolarHBondContact O-N 2.88Å
384H94.6Very high96.4Very high140 Ų14044.1 Ų44.165%0.64822%0.22SC*.THydrogen-bonded Turntrans-90.7-6.3178.1-61.9-64.4000114.1L382 T442L382-H384 PolarHBondContact O-N 3.25Å; L382-H384 VanDerWaalsContact O-N 3.16Å; H384-T442 WeakPolarHBondContact O-CG2 3.35Å
385E97.4Very high96.2Very high80 Ų8047.7 Ų47.737%0.37425%0.246SC..SBendtrans-76152.7175.5-64-62.4153.500110.8L382 K389 R390L382-E385 HydrophobicContact CD2-CG 4.09Å; L382-E385 WeakPolarHBondContact O-CB 3.47Å; L382-E385 PolarHBondContact O-N 2.85Å; E385-K389 HydrophobicContact CB-CB 4.49Å; E385-R390 HydrophobicContact CB-CG 4.14Å; E385-R390 PolarHBondContact O-NH1 3.3Å
386A97.4Very high95.9Very high20 Ų2051.9 Ų51.917%0.16527%0.268CS..  trans-63.5146.2174.800000111.7S388 K389 R390 M440A386-S388 PolarHBondContact O-N 3.4Å; A386-K389 WeakPolarHBondContact O-CB 3.39Å; A386-K389 PolarHBondContact O-N 3.14Å; A386-R390 WeakPolarHBondContact O-CG 3.25Å; A386-R390 PolarHBondContact O-N 3.27Å; A386-M440 HydrophobicContact CB-CE 4.47Å; A386-M440 HydrophobicContact CB-SD 4.49Å
387L97.6Very high95.8Very high0 Ų051.3 Ų51.30%027%0.265CS..Hα-helixtrans-55.9-37179.7175.865.9000112.6Y274 K389 R390 Y391 K437 P439 S441Y274-L387 HydrophobicContact CD2-CD2 4.12Å; L387-K389 VanDerWaalsContact C-N 3.34Å; L387-K389 PolarHBondContact O-N 3.26Å; L387-R390 VanDerWaalsContact CD1-NH2 3.28Å; L387-R390 PolarHBondContact O-N 3.02Å; L387-Y391 HydrophobicContact CD1-CD2 3.97Å; L387-Y391 HydrophobicContact CD1-CE1 4.42Å; L387-Y391 HydrophobicContact CD1-CE2 3.54Å; L387-Y391 HydrophobicContact CD2-CE2 3.82Å; L387-Y391 HydrophobicContact CG-CD2 3.83Å; L387-Y391 HydrophobicContact CG-CE2 3.54Å; L387-Y391 WeakPolarHBondContact O-CD2 3.31Å; L387-Y391 PolarHBondContact O-N 3.11Å; L387-K437 HydrophobicContact CD2-CB 3.55Å; L387-K437 HydrophobicContact CD2-CD 3.8Å; L387-K437 HydrophobicContact CD2-CG 4.32Å; L387-P439 PolarHBondContact N-O 2.84Å; L387-S441 PolarHBondContact N-O 3.1Å
388S97Very high95.7Very high30 Ų3050.3 Ų50.321%0.2126%0.26CS..Hα-helixtrans-54.6-48.617354.30000111.9A386 Y391 E392 P439A386-S388 PolarHBondContact O-N 3.4Å; S388-Y391 PolarHBondContact O-N 3.39Å; S388-E392 PolarHBondContact O-N 3.28Å; S388-P439 PolarHBondContact N-O 3.44Å; S388-P439 PolarHBondContact OG-O 2.99Å
389K97.6Very high95.8Very high90 Ų9051.6 Ų51.639%0.39127%0.27SS..Hα-helixtrans-65-41.9177.7-168.272.9-154.51590111.9E385 A386 L387 Y391 E392 I393E385-K389 HydrophobicContact CB-CB 4.49Å; A386-K389 WeakPolarHBondContact O-CB 3.39Å; A386-K389 PolarHBondContact O-N 3.14Å; L387-K389 VanDerWaalsContact C-N 3.34Å; L387-K389 PolarHBondContact O-N 3.26Å; K389-Y391 VanDerWaalsContact C-N 3.27Å; K389-Y391 PolarHBondContact O-N 3.43Å; K389-E392 IonicContact NZ-OE2 2.77Å; K389-E392 PolarHBondContact NZ-OE2 2.97Å; K389-E392 PolarHBondContact O-N 3.47Å; K389-I393 HydrophobicContact CG-CD1 4.18Å; K389-I393 VanDerWaalsContact O-CG1 3.32Å; K389-I393 WeakPolarHBondContact O-CG1 2.98Å; K389-I393 PolarHBondContact O-N 3.01Å
390R97.8Very high95.9Very high0 Ų049.8 Ų49.80%027%0.265CS..Hα-helixtrans-62.3-36.8176.1-57.8-165.9-47.8-91.54.8111.3D373 V374 L382 E385 A386 L387 I393 L394 S441D373-R390 IonicContact OD1-CZ 3.66Å; D373-R390 IonicContact OD1-NE 3.35Å; D373-R390 PolarHBondContact OD1-NE 3.02Å; D373-R390 IonicContact OD1-NH2 2.82Å; D373-R390 IonicContact OD2-CZ 2.75Å; D373-R390 IonicContact OD2-NE 3.9Å; D373-R390 PolarHBondContact OD2-NE 3.25Å; D373-R390 IonicContact OD2-NH2 3.3Å; D373-R390 PolarHBondContact OD2-NH2 2.99Å; V374-R390 HydrophobicContact CG1-CB 4.22Å; V374-R390 WeakPolarHBondContact CG1-O 3.35Å; L382-R390 HydrophobicContact CB-CG 4.3Å; L382-R390 WeakPolarHBondContact O-CD 3.34Å; E385-R390 HydrophobicContact CB-CG 4.14Å; E385-R390 PolarHBondContact O-NH1 3.3Å; A386-R390 WeakPolarHBondContact O-CG 3.25Å; A386-R390 PolarHBondContact O-N 3.27Å; L387-R390 VanDerWaalsContact CD1-NH2 3.28Å; L387-R390 PolarHBondContact O-N 3.02Å; R390-I393 PolarHBondContact O-N 2.98Å; R390-L394 WeakPolarHBondContact O-CB 3.38Å; R390-L394 PolarHBondContact O-N 3.28Å; R390-S441 PolarHBondContact NH1-O 3.04Å
391Y96.9Very high95.9Very high8 Ų847.1 Ų47.13%0.03126%0.255CS..Hα-helixtrans-68.4-39.3174.7-83.5-41.3000114.5Y274 E276 F372 L387 S388 K389 I393 L394 S395 K410 K437Y274-Y391 AromaticContact CD2-CD2 3.97Å; Y274-Y391 HydrophobicContact CD2-CD2 3.97Å; Y274-Y391 AromaticContact CD2-CE2 3.82Å; Y274-Y391 HydrophobicContact CD2-CE2 3.82Å; Y274-Y391 AromaticContact CE2-CD2 3.83Å; Y274-Y391 HydrophobicContact CE2-CD2 3.83Å; Y274-Y391 HydrophobicContact CE2-CE2 4.17Å; Y274-Y391 HydrophobicContact CG-CE2 4.49Å; E276-Y391 VanDerWaalsContact OE1-CZ 3.29Å; E276-Y391 PolarHBondContact OE1-OH 3.33Å; E276-Y391 PolarHBondContact OE2-OH 3.19Å; F372-Y391 WeakPolarHBondContact O-CE1 3.14Å; F372-Y391 PolarHBondContact O-OH 3.3Å; F372-Y391 VanDerWaalsContact O-OH 3.14Å; L387-Y391 HydrophobicContact CD1-CD2 3.97Å; L387-Y391 HydrophobicContact CD1-CE1 4.42Å; L387-Y391 HydrophobicContact CD1-CE2 3.54Å; L387-Y391 HydrophobicContact CD2-CE2 3.82Å; L387-Y391 HydrophobicContact CG-CD2 3.83Å; L387-Y391 HydrophobicContact CG-CE2 3.54Å; L387-Y391 WeakPolarHBondContact O-CD2 3.31Å; L387-Y391 PolarHBondContact O-N 3.11Å; S388-Y391 PolarHBondContact O-N 3.39Å; K389-Y391 VanDerWaalsContact C-N 3.27Å; K389-Y391 PolarHBondContact O-N 3.43Å; Y391-I393 VanDerWaalsContact C-N 3.29Å; Y391-L394 HydrophobicContact CD1-CD2 4.13Å; Y391-L394 HydrophobicContact CE1-CD2 4.35Å; Y391-L394 PolarHBondContact O-N 2.86Å; Y391-S395 PolarHBondContact O-N 3.46Å; Y391-S395 PolarHBondContact O-OG 3.46Å; Y391-K410 HydrophobicContact CD1-CD 4.09Å; Y391-K410 HydrophobicContact CD2-CD 3.38Å; Y391-K410 HydrophobicContact CE1-CD 4.33Å; Y391-K410 HydrophobicContact CE2-CD 3.62Å; Y391-K410 HydrophobicContact CG-CD 3.68Å; Y391-K437 PolarHBondContact OH-NZ 3.06Å
392E96.3Very high95.7Very high102 Ų10248.3 Ų48.348%0.47727%0.27SS..Hα-helixtrans-59-45.2172.1-70.2171.8-171.400110.6S388 K389 S395S388-E392 PolarHBondContact O-N 3.28Å; K389-E392 IonicContact NZ-OE2 2.77Å; K389-E392 PolarHBondContact NZ-OE2 2.97Å; K389-E392 PolarHBondContact O-N 3.47Å; E392-S395 PolarHBondContact O-N 3.02Å; E392-S395 PolarHBondContact O-OG 3.33Å
393I96.4Very high95.4Very high22 Ų2248.5 Ų48.511%0.11327%0.272CS..Hα-helixtrans-64.9-43178.3-65.7166.8000110.5V374 L377 L382 K389 R390 Y391 S395 D396 V397V374-I393 HydrophobicContact CG1-CB 4.29Å; V374-I393 HydrophobicContact CG1-CG2 4.15Å; L377-I393 HydrophobicContact CB-CG2 4.42Å; L377-I393 HydrophobicContact CD2-CG2 3.54Å; L382-I393 HydrophobicContact CD1-CD1 3.87Å; L382-I393 HydrophobicContact CD1-CG2 3.95Å; L382-I393 HydrophobicContact CD2-CD1 3.61Å; L382-I393 HydrophobicContact CG-CD1 4.38Å; K389-I393 HydrophobicContact CG-CD1 4.18Å; K389-I393 VanDerWaalsContact O-CG1 3.32Å; K389-I393 WeakPolarHBondContact O-CG1 2.98Å; K389-I393 PolarHBondContact O-N 3.01Å; R390-I393 PolarHBondContact O-N 2.98Å; Y391-I393 VanDerWaalsContact C-N 3.29Å; I393-S395 VanDerWaalsContact C-N 3.29Å; I393-S395 PolarHBondContact O-N 3.19Å; I393-D396 WeakPolarHBondContact O-CA 3.17Å; I393-D396 PolarHBondContact O-N 2.86Å; I393-V397 HydrophobicContact CG2-CG2 4.38Å; I393-V397 WeakPolarHBondContact O-CG2 3.47Å; I393-V397 PolarHBondContact O-N 2.91Å
394L96.4Very high95.5Very high5 Ų549.8 Ų49.83%0.02627%0.273CS..Hα-helixtrans-57.3-39.7-178.7-179.362.1000112.5L333 V371 V374 R390 Y391 D396 V397 F398 A407L333-L394 HydrophobicContact CD2-CD1 4.06Å; V371-L394 HydrophobicContact CB-CD1 4.47Å; V371-L394 HydrophobicContact CG1-CD1 3.67Å; V371-L394 HydrophobicContact CG1-CD2 4.27Å; V374-L394 HydrophobicContact CB-CD1 4.26Å; V374-L394 HydrophobicContact CG1-CB 4Å; R390-L394 WeakPolarHBondContact O-CB 3.38Å; R390-L394 PolarHBondContact O-N 3.28Å; Y391-L394 HydrophobicContact CD1-CD2 4.13Å; Y391-L394 HydrophobicContact CE1-CD2 4.35Å; Y391-L394 PolarHBondContact O-N 2.86Å; L394-D396 PolarHBondContact O-N 3.34Å; L394-V397 PolarHBondContact O-N 3.02Å; L394-F398 HydrophobicContact CD1-CE1 3.84Å; L394-A407 HydrophobicContact CD2-CB 4.37Å
395S92.6Very high95.5Very high76 Ų7643.1 Ų43.153%0.53124%0.242SC..Hα-helixtrans-62.5-19.7175.738.70000113.7Y391 E392 I393Y391-S395 PolarHBondContact O-N 3.46Å; Y391-S395 PolarHBondContact O-OG 3.46Å; E392-S395 PolarHBondContact O-N 3.02Å; E392-S395 PolarHBondContact O-OG 3.33Å; I393-S395 VanDerWaalsContact C-N 3.29Å; I393-S395 PolarHBondContact O-N 3.19Å
396D92.1Very high95.3Very high90 Ų9041.5 Ų41.548%0.48123%0.234SC..Hα-helixtrans-98.6-5.8178.3-78.3-35.2000114.8K325 I393 L394K325-D396 WeakPolarHBondContact CD-O 3.45Å; K325-D396 VanDerWaalsContact CE-O 3.24Å; K325-D396 WeakPolarHBondContact CE-O 3.47Å; K325-D396 IonicContact NZ-OD1 2.85Å; K325-D396 PolarHBondContact NZ-OD1 3.18Å; I393-D396 WeakPolarHBondContact O-CA 3.17Å; I393-D396 PolarHBondContact O-N 2.86Å; L394-D396 PolarHBondContact O-N 3.34Å
397V95.6Very high95.2Very high0 Ų042.4 Ų42.40%024%0.242CC..Hα-helixtrans-76.2-42.1-178.7178.90000112.3F324 K325 V328 L333 V374 L377 I393 L394F324-V397 HydrophobicContact CD1-CG1 3.99Å; F324-V397 HydrophobicContact CE1-CG1 4.15Å; K325-V397 PolarHBondContact N-O 2.94Å; K325-V397 VanDerWaalsContact N-O 3.11Å; V328-V397 HydrophobicContact CG1-CG1 4.26Å; V328-V397 HydrophobicContact CG2-CG1 4.42Å; V328-V397 WeakPolarHBondContact CG2-O 3.4Å; L333-V397 HydrophobicContact CD2-CG1 4.34Å; V374-V397 HydrophobicContact CG2-CG2 4.27Å; L377-V397 HydrophobicContact CD1-CG2 4.25Å; L377-V397 HydrophobicContact CD2-CG2 4.36Å; I393-V397 HydrophobicContact CG2-CG2 4.38Å; I393-V397 WeakPolarHBondContact O-CG2 3.47Å; I393-V397 PolarHBondContact O-N 2.91Å; L394-V397 PolarHBondContact O-N 3.02Å
398F96.2Very high95.1Very high6 Ų643 Ų433%0.02625%0.246CC..BIsolated β-bridgetrans-150.7157.4-174.267.8-93.7000112.2A323 F324 L333 V371 L394 P400 M405 A407A323-F398 CarbonylContact O-C 3.54Å; A323-F398 VanDerWaalsContact O-CA 3.27Å; A323-F398 WeakPolarHBondContact O-CA 3.39Å; A323-F398 WeakPolarHBondContact O-CB 3.13Å; F324-F398 HydrophobicContact CD1-CB 4.21Å; L333-F398 HydrophobicContact CD1-CD1 4.36Å; L333-F398 HydrophobicContact CD1-CE1 4.3Å; V371-F398 HydrophobicContact CB-CE1 4.2Å; V371-F398 HydrophobicContact CB-CZ 4.17Å; V371-F398 HydrophobicContact CG1-CE1 4.47Å; V371-F398 HydrophobicContact CG2-CE1 4.12Å; V371-F398 HydrophobicContact CG2-CZ 4.08Å; L394-F398 HydrophobicContact CD1-CE1 3.84Å; F398-P400 HydrophobicContact CE2-CG 4.25Å; F398-M405 HydrophobicContact CB-CE 3.83Å; F398-M405 HydrophobicContact CD1-CE 4.29Å; F398-M405 HydrophobicContact CD2-CE 3.6Å; F398-M405 HydrophobicContact CD2-CG 4.25Å; F398-M405 HydrophobicContact CD2-SD 4.43Å; F398-M405 HydrophobicContact CE2-CE 4.2Å; F398-M405 HydrophobicContact CE2-CG 3.88Å; F398-M405 HydrophobicContact CG-CE 3.65Å; F398-M405 HydrophobicContact CG-SD 4.47Å; F398-M405 HydrophobicContact CZ-CG 4.13Å; F398-A407 HydrophobicContact CZ-CB 4.29Å
399T95.9Very high95Very high89 Ų8948.6 Ų48.655%0.54627%0.268SS..  trans-91.1122169.9-57.60000108.8A323 V401A323-T399 PolarHBondContact O-N 3.08Å; T399-V401 PolarHBondContact O-N 3.25Å
400P95.2Very high94.8Very high79 Ų7947.9 Ų47.951%0.51327%0.265SS..  trans-54.9137.6-179.8-28.536.2000113.4F398 M405 H406F398-P400 HydrophobicContact CE2-CG 4.25Å; P400-M405 CarbonylContact C-O 3.58Å; P400-M405 WeakPolarHBondContact CA-O 3.48Å; P400-H406 HydrophobicContact CB-CB 3.93Å
401V94.8Very high94.8Very high52 Ų5250.9 Ų50.932%0.31528%0.283SS..BIsolated β-bridgetrans-115.7112.6174-177.40000108A323 T399 G403 R404 M405A323-V401 HydrophobicContact CB-CG2 3.67Å; T399-V401 PolarHBondContact O-N 3.25Å; V401-G403 PolarHBondContact O-N 2.95Å; V401-R404 HydrophobicContact CB-CB 4.1Å; V401-R404 HydrophobicContact CG1-CB 3.83Å; V401-R404 HydrophobicContact CG1-CG 4.09Å; V401-R404 PolarHBondContact O-N 3.5Å; V401-M405 PolarHBondContact N-O 3.43Å; V401-M405 PolarHBondContact O-N 3.25Å
402T92.1Very high94.8Very high113 Ų11354.1 Ų54.169%0.69331%0.307SS*.THydrogen-bonded Turntrans-51.4126.3-177.7-55.20000111.3R404T402-R404 PolarHBondContact O-N 3.32Å
403G90.5Very high94.7Very high3 Ų349.4 Ų49.43%0.03129%0.286CS..THydrogen-bonded Turntrans71.72.7179.500000116.1Y340 Q366 C368 V401Y340-G403 VanDerWaalsContact CE1-CA 3.45Å; Q366-G403 VanDerWaalsContact NE2-C 3.29Å; Q366-G403 PolarHBondContact NE2-O 3.04Å; C368-G403 VanDerWaalsContact CB-O 3.29Å; C368-G403 WeakPolarHBondContact CB-O 3.44Å; C368-G403 VanDerWaalsContact SG-C 3.51Å; V401-G403 PolarHBondContact O-N 2.95Å
404R94.1Very high94.6Very high40 Ų4056.2 Ų56.215%0.15131%0.31CS..THydrogen-bonded Turntrans-123.2-48178.4-66.8-64.2-172.5153.14113S315 L316 F319 I320 C368 Y369 V401 T402S315-R404 PolarHBondContact O-NH1 2.69Å; L316-R404 WeakPolarHBondContact CD1-O 3.39Å; F319-R404 HydrophobicContact CB-CG 4.16Å; F319-R404 VanDerWaalsContact CE1-NH2 3.34Å; I320-R404 HydrophobicContact CG2-CB 4.31Å; C368-R404 CarbonylContact C-O 3.57Å; C368-R404 WeakPolarHBondContact CA-O 3.26Å; Y369-R404 PolarHBondContact N-O 2.86Å; V401-R404 HydrophobicContact CB-CB 4.1Å; V401-R404 HydrophobicContact CG1-CB 3.83Å; V401-R404 HydrophobicContact CG1-CG 4.09Å; V401-R404 PolarHBondContact O-N 3.5Å; T402-R404 PolarHBondContact O-N 3.32Å
405M95.5Very high94.5Very high0 Ų058.7 Ų58.70%033%0.325CS..EExtended strand (participates in β ladder)trans-157.3126.3177.3-175170.366.500110.9I320 A323 F324 Y369 V371 F398 P400 V401I320-M405 HydrophobicContact CB-CB 4.41Å; I320-M405 HydrophobicContact CB-CE 3.93Å; I320-M405 HydrophobicContact CB-SD 4.07Å; I320-M405 HydrophobicContact CD1-SD 3.96Å; I320-M405 HydrophobicContact CG2-CB 3.69Å; I320-M405 HydrophobicContact CG2-CE 4.45Å; I320-M405 HydrophobicContact CG2-SD 4.26Å; A323-M405 HydrophobicContact CB-CE 3.58Å; F324-M405 HydrophobicContact CE2-CE 4.17Å; F324-M405 HydrophobicContact CZ-CE 4.03Å; F324-M405 HydrophobicContact CZ-SD 4.18Å; Y369-M405 HydrophobicContact CD1-SD 4.36Å; Y369-M405 VanDerWaalsContact O-CA 3.27Å; Y369-M405 WeakPolarHBondContact O-CA 3.28Å; V371-M405 HydrophobicContact CG2-CG 4.27Å; F398-M405 HydrophobicContact CB-CE 3.83Å; F398-M405 HydrophobicContact CD1-CE 4.29Å; F398-M405 HydrophobicContact CD2-CE 3.6Å; F398-M405 HydrophobicContact CD2-CG 4.25Å; F398-M405 HydrophobicContact CD2-SD 4.43Å; F398-M405 HydrophobicContact CE2-CE 4.2Å; F398-M405 HydrophobicContact CE2-CG 3.88Å; F398-M405 HydrophobicContact CG-CE 3.65Å; F398-M405 HydrophobicContact CG-SD 4.47Å; F398-M405 HydrophobicContact CZ-CG 4.13Å; P400-M405 CarbonylContact C-O 3.58Å; P400-M405 WeakPolarHBondContact CA-O 3.48Å; V401-M405 PolarHBondContact N-O 3.43Å; V401-M405 PolarHBondContact O-N 3.25Å
406H93.8Very high94.6Very high46 Ų4657.7 Ų57.721%0.21331%0.31CS..EExtended strand (participates in β ladder)trans-147.615917367.788.7000111.3F347 Y369 C370 V371 P400F347-H406 AromaticContact CE2-NE2 3.88Å; F347-H406 AromaticContact CZ-NE2 3.26Å; F347-H406 VanDerWaalsContact CZ-NE2 3.26Å; F347-H406 WeakPolarHBondContact CZ-NE2 3.19Å; Y369-H406 PolarHBondContact O-N 3.27Å; Y369-H406 VanDerWaalsContact O-N 3.1Å; C370-H406 CarbonylContact C-O 3.53Å; C370-H406 WeakPolarHBondContact CA-O 3.32Å; C370-H406 PolarHBondContact SG-NE2 3.39Å; V371-H406 PolarHBondContact N-O 2.94Å; P400-H406 HydrophobicContact CB-CB 3.93Å
407A95.4Very high94.6Very high39 Ų3957.7 Ų57.732%0.32231%0.306SS..EExtended strand (participates in β ladder)trans-74.9140.6168.600000109.6V371 L394 F398 H409V371-A407 CarbonylContact O-C 2.82Å; V371-A407 VanDerWaalsContact O-CA 3.29Å; V371-A407 WeakPolarHBondContact O-CA 3.29Å; L394-A407 HydrophobicContact CD2-CB 4.37Å; F398-A407 HydrophobicContact CZ-CB 4.29Å; A407-H409 PolarHBondContact O-N 3.4Å
408V95.9Very high94.6Very high14 Ų1461.3 Ų61.39%0.08532%0.323CS..PPolyproline II helixtrans-66.8132.4173.6179.20000108.8E276 L279 C370 V371 F372E276-V408 HydrophobicContact CB-CG1 4.15Å; E276-V408 HydrophobicContact CG-CG1 4.27Å; L279-V408 HydrophobicContact CD1-CG2 3.77Å; C370-V408 HydrophobicContact CB-CG2 4.03Å; V371-V408 PolarHBondContact O-N 2.96Å; F372-V408 HydrophobicContact CB-CB 4.01Å; F372-V408 HydrophobicContact CB-CG2 3.91Å; F372-V408 HydrophobicContact CD1-CG2 4.28Å
409H93.7Very high94.5Very high146 Ų14661 Ų6168%0.67632%0.321SS*.PPolyproline II helixtrans-67.5138.2177.4-175.372.9000110.3A407 T411A407-H409 PolarHBondContact O-N 3.4Å; H409-T411 WeakPolarHBondContact NE2-CG2 3.37Å
410K94.5Very high94.4Very high75 Ų7556.9 Ų56.933%0.32630%0.296SS..EExtended strand (participates in β ladder)trans-127.5137.9178.967.4-177.6-176.4-69.40109.9Y274 I275 E276 Y391Y274-K410 HydrophobicContact CD1-CD 4.32Å; Y274-K410 HydrophobicContact CE1-CD 4.43Å; Y274-K410 HydrophobicContact CG-CD 4.44Å; I275-K410 WeakPolarHBondContact O-CA 3.41Å; E276-K410 HydrophobicContact CG-CB 3.79Å; Y391-K410 HydrophobicContact CD1-CD 4.09Å; Y391-K410 HydrophobicContact CD2-CD 3.38Å; Y391-K410 HydrophobicContact CE1-CD 4.33Å; Y391-K410 HydrophobicContact CE2-CD 3.62Å; Y391-K410 HydrophobicContact CG-CD 3.68Å
411T96.2Very high94.3Very high63 Ų6356.4 Ų56.439%0.38729%0.289SS..EExtended strand (participates in β ladder)trans-115142.9172.454.40000109.6Y274 I275 H409Y274-T411 CarbonylContact C-O 3.56Å; Y274-T411 VanDerWaalsContact CA-O 3.32Å; Y274-T411 WeakPolarHBondContact CA-O 3.49Å; I275-T411 PolarHBondContact N-O 2.94Å; I275-T411 PolarHBondContact O-N 3.4Å; I275-T411 PolarHBondContact O-OG1 3.4Å; H409-T411 WeakPolarHBondContact NE2-CG2 3.37Å
412S96.6Very high94.3Very high77 Ų7754.8 Ų54.854%0.53828%0.281SS..EExtended strand (participates in β ladder)trans-87.7131.9172.7-71.10000109.5Y274Y274-S412 VanDerWaalsContact CE1-OG 3.32Å; Y274-S412 WeakPolarHBondContact CE1-OG 3.3Å
413A95.6Very high94.4Very high3 Ų349.4 Ų49.43%0.02525%0.248CC..EExtended strand (participates in β ladder)trans-135.9162177.700000110.4F273 I275 E418F273-A413 HydrophobicContact CD2-CB 4.04Å; F273-A413 HydrophobicContact CE2-CB 3.53Å; F273-A413 HydrophobicContact CZ-CB 4.16Å; F273-A413 PolarHBondContact N-O 3.31Å; F273-A413 PolarHBondContact O-N 3.5Å; I275-A413 HydrophobicContact CD1-CB 3.49Å; I275-A413 VanDerWaalsContact CD1-CB 3.49Å; I275-A413 HydrophobicContact CG1-CB 3.96Å; A413-E418 HydrophobicContact CB-CB 3.83Å; A413-E418 HydrophobicContact CB-CG 4.45Å
414R94.3Very high94.4Very high164 Ų16450 Ų5062%0.61925%0.25SS*.  trans-130.6-23.9176.5-69.8-176.5179.5-163.5-3.5113I272 F273 E418I272-R414 HydrophobicContact CB-CG 4.4Å; I272-R414 HydrophobicContact CG1-CG 3.65Å; F273-R414 WeakPolarHBondContact CE1-O 3.33Å; R414-E418 PolarHBondContact N-OE2 3.41Å
415T94.2Very high94.3Very high58 Ų5853.9 Ų53.936%0.35627%0.27SS..SBendtrans-112.7154.5-167.166.40000112.2E265 K417 E418 V419E265-T415 WeakPolarHBondContact OE1-CA 3.46Å; T415-K417 PolarHBondContact O-N 3.24Å; T415-E418 WeakPolarHBondContact CB-OE2 3.25Å; T415-E418 PolarHBondContact N-OE2 3.37Å; T415-E418 PolarHBondContact O-N 3.2Å; T415-E418 VanDerWaalsContact OG1-CG 3.31Å; T415-E418 WeakPolarHBondContact OG1-CG 3.49Å; T415-E418 PolarHBondContact OG1-N 2.91Å; T415-E418 PolarHBondContact OG1-OE2 3.08Å; T415-V419 PolarHBondContact O-N 3.07Å
416R93.7Very high94.1Very high54 Ų5454 Ų5420%0.20427%0.271CS..Hα-helixtrans-56.1-37.9169.7-179-175.167.4129.18.1111.6I264 E265 V419 I420 D623I264-R416 HydrophobicContact CG2-CB 4.24Å; I264-R416 HydrophobicContact CG2-CG 4.43Å; E265-R416 HydrophobicContact CG-CB 4.47Å; E265-R416 WeakPolarHBondContact OE1-CB 3.19Å; E265-R416 PolarHBondContact OE1-N 2.76Å; R416-V419 WeakPolarHBondContact O-CB 3.45Å; R416-V419 PolarHBondContact O-N 3.32Å; R416-V419 VanDerWaalsContact O-N 3.17Å; R416-I420 HydrophobicContact CG-CD1 3.98Å; R416-I420 HydrophobicContact CG-CG1 4.4Å; R416-I420 WeakPolarHBondContact O-CG1 3.48Å; R416-I420 PolarHBondContact O-N 3.25Å; R416-D623 PolarHBondContact NH2-O 3.37Å
417K93.4Very high93.7Very high90 Ų9052 Ų5239%0.39126%0.262SS..Hα-helixtrans-59.6-49.6-179.1-174.2169.3-174.5157.10111.6T415 V419 I420 D421 I622 D624T415-K417 PolarHBondContact O-N 3.24Å; K417-V419 PolarHBondContact O-N 3.34Å; K417-I420 WeakPolarHBondContact O-CB 3.37Å; K417-I420 PolarHBondContact O-N 3.15Å; K417-D421 VanDerWaalsContact O-CG 3.29Å; K417-D421 PolarHBondContact O-N 2.6Å; K417-I622 HydrophobicContact CD-CG2 4.14Å; K417-I622 HydrophobicContact CG-CD1 4.23Å; K417-I622 HydrophobicContact CG-CG2 4.01Å; K417-D624 IonicContact NZ-OD2 3.92Å; K417-D624 PolarHBondContact NZ-OD2 3.48Å
418E95Very high93.3Very high77 Ų7754 Ų5436%0.3627%0.267SS..Hα-helixtrans-59-34.9176.1-68.3164.511400112.4A413 R414 T415 A422A413-E418 HydrophobicContact CB-CB 3.83Å; A413-E418 HydrophobicContact CB-CG 4.45Å; R414-E418 PolarHBondContact N-OE2 3.41Å; T415-E418 WeakPolarHBondContact CB-OE2 3.25Å; T415-E418 PolarHBondContact N-OE2 3.37Å; T415-E418 PolarHBondContact O-N 3.2Å; T415-E418 VanDerWaalsContact OG1-CG 3.31Å; T415-E418 WeakPolarHBondContact OG1-CG 3.49Å; T415-E418 PolarHBondContact OG1-N 2.91Å; T415-E418 PolarHBondContact OG1-OE2 3.08Å; E418-A422 VanDerWaalsContact O-CB 3.3Å; E418-A422 WeakPolarHBondContact O-CB 3.36Å; E418-A422 PolarHBondContact O-N 2.87Å
419V94.5Very high92.6Very high0 Ų057.7 Ų57.70%029%0.286CS..Hα-helixtrans-68.7-40.3175.4176.30000111.7I264 F273 I275 T415 R416 K417 L423 I434 I455I264-V419 HydrophobicContact CG1-CG1 4.46Å; I264-V419 HydrophobicContact CG1-CG2 4.21Å; I264-V419 HydrophobicContact CG2-CB 4.48Å; I264-V419 HydrophobicContact CG2-CG2 4.15Å; F273-V419 HydrophobicContact CE2-CG2 3.42Å; F273-V419 VanDerWaalsContact CE2-CG2 3.42Å; F273-V419 HydrophobicContact CZ-CG2 3.65Å; I275-V419 HydrophobicContact CD1-CG2 3.91Å; T415-V419 PolarHBondContact O-N 3.07Å; R416-V419 WeakPolarHBondContact O-CB 3.45Å; R416-V419 PolarHBondContact O-N 3.32Å; R416-V419 VanDerWaalsContact O-N 3.17Å; K417-V419 PolarHBondContact O-N 3.34Å; V419-L423 WeakPolarHBondContact O-CB 3.23Å; V419-L423 PolarHBondContact O-N 3.33Å; V419-I434 HydrophobicContact CG1-CD1 3.85Å; V419-I434 WeakPolarHBondContact O-CD1 3.29Å; V419-I455 HydrophobicContact CG1-CD1 3.48Å; V419-I455 VanDerWaalsContact CG1-CD1 3.48Å
420I93.3Very high92.1Very high1 Ų154.1 Ų54.11%0.00527%0.267CS..Hα-helixtrans-66.2-44.7176.4-66.9173.2000110.1V261 R416 K417 L423 N424 L620 I622V261-I420 HydrophobicContact CG1-CD1 4.47Å; V261-I420 HydrophobicContact CG1-CG1 3.88Å; R416-I420 HydrophobicContact CG-CD1 3.98Å; R416-I420 HydrophobicContact CG-CG1 4.4Å; R416-I420 WeakPolarHBondContact O-CG1 3.48Å; R416-I420 PolarHBondContact O-N 3.25Å; K417-I420 WeakPolarHBondContact O-CB 3.37Å; K417-I420 PolarHBondContact O-N 3.15Å; I420-L423 PolarHBondContact O-N 2.9Å; I420-N424 PolarHBondContact O-N 2.7Å; I420-N424 PolarHBondContact O-ND2 3.07Å; I420-L620 HydrophobicContact CD1-CD2 4.23Å; I420-L620 HydrophobicContact CG1-CD2 3.87Å; I420-L620 HydrophobicContact CG2-CB 4.06Å; I420-L620 HydrophobicContact CG2-CD2 4.2Å; I420-L620 HydrophobicContact CG2-CG 4.16Å; I420-L620 WeakPolarHBondContact CG2-O 3.42Å; I420-I622 HydrophobicContact CG2-CG1 3.87Å
421D93.9Very high91.7Very high70 Ų7053.5 Ų53.537%0.37427%0.265SS..Hα-helixtrans-60.5-48.7178-67.2-22.8000110.8K417 L423 N424 E425 I622K417-D421 VanDerWaalsContact O-CG 3.29Å; K417-D421 PolarHBondContact O-N 2.6Å; D421-L423 VanDerWaalsContact C-N 3.3Å; D421-L423 PolarHBondContact O-N 2.65Å; D421-N424 PolarHBondContact O-N 2.66Å; D421-E425 WeakPolarHBondContact O-CB 3.46Å; D421-E425 PolarHBondContact O-N 3.42Å; D421-I622 WeakPolarHBondContact OD1-CD1 3.2Å
422A94.6Very high91.2Very high17 Ų1752 Ų5214%0.1425%0.254CS..Hα-helixtrans-63.3-33.9176.300000112.9I275 E418 A426 I434I275-A422 HydrophobicContact CD1-CB 4.12Å; I275-A422 HydrophobicContact CG2-CB 3.85Å; E418-A422 VanDerWaalsContact O-CB 3.3Å; E418-A422 WeakPolarHBondContact O-CB 3.36Å; E418-A422 PolarHBondContact O-N 2.87Å; A422-A426 WeakPolarHBondContact O-CB 3.25Å; A422-A426 PolarHBondContact O-N 3.4Å; A422-I434 HydrophobicContact CB-CD1 4.38Å; A422-I434 HydrophobicContact CB-CG2 4.46Å
423L93.5Very high91.1Very high1 Ų148.4 Ų48.41%0.00523%0.229CC..Hα-helixtrans-68.9-41.3174.5179.464000111.6V419 I420 D421 A426 I427 I434 I455 P457 V460 L620V419-L423 WeakPolarHBondContact O-CB 3.23Å; V419-L423 PolarHBondContact O-N 3.33Å; I420-L423 PolarHBondContact O-N 2.9Å; D421-L423 VanDerWaalsContact C-N 3.3Å; D421-L423 PolarHBondContact O-N 2.65Å; L423-A426 PolarHBondContact O-N 3Å; L423-I427 HydrophobicContact CG-CD1 4.31Å; L423-I427 VanDerWaalsContact O-CG1 3.29Å; L423-I427 WeakPolarHBondContact O-CG1 3.41Å; L423-I427 PolarHBondContact O-N 2.76Å; L423-I434 HydrophobicContact CB-CD1 4.06Å; L423-I434 HydrophobicContact CD1-CG1 4.46Å; L423-I455 HydrophobicContact CD1-CG2 4.11Å; L423-I455 HydrophobicContact CD2-CG2 3.84Å; L423-P457 HydrophobicContact CD1-CG 4.29Å; L423-V460 HydrophobicContact CD2-CG2 4.3Å; L423-L620 HydrophobicContact CD2-CD2 4.48Å
424N91.2Very high91.1Very high14 Ų1448.4 Ų48.48%0.07523%0.229CC..Hα-helixtrans-66.1-42176.8-71.4-26.9000110.7I420 D421 A426 I427 D428 H619 L620I420-N424 PolarHBondContact O-N 2.7Å; I420-N424 PolarHBondContact O-ND2 3.07Å; D421-N424 PolarHBondContact O-N 2.66Å; N424-A426 PolarHBondContact O-N 3.23Å; N424-I427 WeakPolarHBondContact O-CB 3.32Å; N424-I427 PolarHBondContact O-N 2.88Å; N424-I427 VanDerWaalsContact O-N 3.12Å; N424-D428 PolarHBondContact O-N 3.12Å; N424-H619 VanDerWaalsContact OD1-CA 3.29Å; N424-H619 WeakPolarHBondContact OD1-CA 3.47Å; N424-L620 PolarHBondContact ND2-O 2.79Å; N424-L620 PolarHBondContact OD1-N 2.88Å
425E92.3Very high91.3Very high122 Ų12241.7 Ų41.757%0.5720%0.204SC*.Hα-helixtrans-60-44.3172.8-174.4-179.4179.800111.5D421 I427 D428 N429D421-E425 WeakPolarHBondContact O-CB 3.46Å; D421-E425 PolarHBondContact O-N 3.42Å; E425-I427 VanDerWaalsContact C-N 3.29Å; E425-I427 PolarHBondContact O-N 3.25Å; E425-D428 PolarHBondContact O-N 3.49Å; E425-N429 WeakPolarHBondContact O-CB 3.47Å; E425-N429 PolarHBondContact O-N 2.96Å; E425-N429 PolarHBondContact O-ND2 3.3Å
426A89.8Confident91.5Very high2 Ų238.9 Ų38.92%0.01719%0.187CC..Hα-helixtrans-60.9-36.5174.500000112.4A422 L423 N424 R430 E431 I434A422-A426 WeakPolarHBondContact O-CB 3.25Å; A422-A426 PolarHBondContact O-N 3.4Å; L423-A426 PolarHBondContact O-N 3Å; N424-A426 PolarHBondContact O-N 3.23Å; A426-R430 PolarHBondContact O-N 3.08Å; A426-R430 VanDerWaalsContact O-N 3.15Å; A426-E431 HydrophobicContact CB-CB 4.13Å; A426-E431 WeakPolarHBondContact O-CB 3.23Å; A426-E431 PolarHBondContact O-N 3.44Å; A426-I434 HydrophobicContact CB-CG2 3.83Å
427I86.4Confident91.6Very high5 Ų536.5 Ų36.53%0.02618%0.178CC..Hα-helixtrans-66.3-43.6174.5-70.3164.2000110.9L423 N424 E425 R430 P457 L463L423-I427 HydrophobicContact CG-CD1 4.31Å; L423-I427 VanDerWaalsContact O-CG1 3.29Å; L423-I427 WeakPolarHBondContact O-CG1 3.41Å; L423-I427 PolarHBondContact O-N 2.76Å; N424-I427 WeakPolarHBondContact O-CB 3.32Å; N424-I427 PolarHBondContact O-N 2.88Å; N424-I427 VanDerWaalsContact O-N 3.12Å; E425-I427 VanDerWaalsContact C-N 3.29Å; E425-I427 PolarHBondContact O-N 3.25Å; I427-R430 PolarHBondContact O-N 3.12Å; I427-R430 VanDerWaalsContact O-N 3.08Å; I427-R430 PolarHBondContact O-NH1 3.16Å; I427-P457 HydrophobicContact CD1-CB 4.14Å; I427-P457 HydrophobicContact CD1-CG 3.81Å; I427-P457 HydrophobicContact CG1-CB 4.25Å; I427-P457 HydrophobicContact CG1-CG 3.49Å; I427-P457 VanDerWaalsContact CG1-CG 3.49Å; I427-L463 HydrophobicContact CD1-CD1 4.45Å
428D85.9Confident91.8Very high81 Ų8133.8 Ų33.843%0.43317%0.168SC..Hα-helixtrans-64.6-42179.4-69.8-19000111.2N424 E425 R430 H619N424-D428 PolarHBondContact O-N 3.12Å; E425-D428 PolarHBondContact O-N 3.49Å; D428-R430 PolarHBondContact O-N 2.99Å; D428-R430 PolarHBondContact O-NH1 2.82Å; D428-H619 VanDerWaalsContact CG-NE2 3.26Å; D428-H619 IonicContact OD1-CD2 2.82Å; D428-H619 IonicContact OD1-CE1 2.67Å; D428-H619 IonicContact OD1-NE2 3.35Å; D428-H619 PolarHBondContact OD1-NE2 3.45Å; D428-H619 IonicContact OD2-CE1 3.84Å; D428-H619 PolarHBondContact OD2-CE1 3.01Å; D428-H619 VanDerWaalsContact OD2-CE1 3.3Å; D428-H619 IonicContact OD2-NE2 3.96Å; D428-H619 PolarHBondContact OD2-NE2 3.14Å
429N82.9Confident91.9Very high91 Ų9130.8 Ų30.849%0.48716%0.155SC..THydrogen-bonded Turntrans-76.23.1174.3-66.8-23.3000113.7E425 E431E425-N429 WeakPolarHBondContact O-CB 3.47Å; E425-N429 PolarHBondContact O-N 2.96Å; E425-N429 PolarHBondContact O-ND2 3.3Å; N429-E431 HydrophobicContact CB-CG 3.85Å; N429-E431 PolarHBondContact O-N 2.92Å
430R81.3Confident92Very high72 Ų7237.2 Ų37.227%0.27219%0.187SC..THydrogen-bonded Turntrans60.425.4178.8-51.3-64.8179.4-115.4-1.3114.1Q349 A426 I427 D428 K614Q349-R430 PolarHBondContact NE2-O 3.07Å; A426-R430 PolarHBondContact O-N 3.08Å; A426-R430 VanDerWaalsContact O-N 3.15Å; I427-R430 PolarHBondContact O-N 3.12Å; I427-R430 VanDerWaalsContact O-N 3.08Å; I427-R430 PolarHBondContact O-NH1 3.16Å; D428-R430 PolarHBondContact O-N 2.99Å; D428-R430 PolarHBondContact O-NH1 2.82Å; R430-K614 HydrophobicContact CB-CG 4.41Å; R430-K614 VanDerWaalsContact O-CE 3.23Å; R430-K614 WeakPolarHBondContact O-CE 3.23Å
431E86.1Confident92.1Very high61 Ų6137.6 Ų37.629%0.28519%0.189SC..  trans-74.8169.9178.9-57.2-179.315900111.8T277 A426 N429 G433T277-E431 HydrophobicContact CG2-CB 4.31Å; T277-E431 HydrophobicContact CG2-CG 4.11Å; T277-E431 WeakPolarHBondContact CG2-OE1 3.46Å; T277-E431 WeakPolarHBondContact CG2-OE2 3.39Å; T277-E431 PolarHBondContact OG1-OE1 3.24Å; T277-E431 PolarHBondContact OG1-OE2 2.96Å; T277-E431 VanDerWaalsContact OG1-OE2 3.13Å; A426-E431 HydrophobicContact CB-CB 4.13Å; A426-E431 WeakPolarHBondContact O-CB 3.23Å; A426-E431 PolarHBondContact O-N 3.44Å; N429-E431 HydrophobicContact CB-CG 3.85Å; N429-E431 PolarHBondContact O-N 2.92Å; E431-G433 VanDerWaalsContact C-N 3.25Å; E431-G433 PolarHBondContact O-N 3.26Å
432E87.7Confident92.3Very high32 Ų3236.3 Ų36.315%0.1518%0.184CC..SBendtrans-72.2-23-179.7-155.2-172.2146.700112.8K278 D280 K456K278-E432 HydrophobicContact CD-CB 4.46Å; K278-E432 HydrophobicContact CD-CG 4.48Å; K278-E432 HydrophobicContact CG-CB 4.5Å; K278-E432 IonicContact NZ-OE1 3.95Å; K278-E432 PolarHBondContact NZ-OE1 2.91Å; K278-E432 IonicContact NZ-OE2 3.56Å; K278-E432 PolarHBondContact NZ-OE2 3.49Å; K278-E432 WeakPolarHBondContact O-CB 3.35Å; D280-E432 WeakPolarHBondContact CA-OE2 3.49Å; D280-E432 HydrophobicContact CB-CB 4.18Å; D280-E432 HydrophobicContact CB-CG 4.38Å; E432-K456 WeakPolarHBondContact O-CG 3.34Å; E432-K456 WeakPolarHBondContact OE1-CE 3.44Å; E432-K456 IonicContact OE1-NZ 3.91Å; E432-K456 PolarHBondContact OE1-NZ 3.26Å
433G92.8Very high92.4Very high1 Ų135.9 Ų35.91%0.0118%0.179CC..  trans141.3-156.6-172.900000110.8K278 E431 I455K278-G433 WeakPolarHBondContact CA-O 3.44Å; K278-G433 WeakPolarHBondContact CB-O 3.3Å; K278-G433 PolarHBondContact N-O 3.35Å; E431-G433 VanDerWaalsContact C-N 3.25Å; E431-G433 PolarHBondContact O-N 3.26Å; G433-I455 WeakPolarHBondContact CA-O 3.39Å
434I96.9Very high92.4Very high4 Ų439.5 Ų39.52%0.02120%0.195CC..EExtended strand (participates in β ladder)trans-125.9155.9-176.362.2175.9000111.9I275 E276 V419 A422 L423 A426 V436 K454 I455I275-I434 HydrophobicContact CG2-CB 4.19Å; I275-I434 HydrophobicContact CG2-CD1 4.3Å; I275-I434 HydrophobicContact CG2-CG2 4.39Å; E276-I434 CarbonylContact O-C 3.56Å; E276-I434 WeakPolarHBondContact O-CA 3.4Å; V419-I434 HydrophobicContact CG1-CD1 3.85Å; V419-I434 WeakPolarHBondContact O-CD1 3.29Å; A422-I434 HydrophobicContact CB-CD1 4.38Å; A422-I434 HydrophobicContact CB-CG2 4.46Å; L423-I434 HydrophobicContact CB-CD1 4.06Å; L423-I434 HydrophobicContact CD1-CG1 4.46Å; A426-I434 HydrophobicContact CB-CG2 3.83Å; I434-V436 HydrophobicContact CD1-CG2 4.49Å; I434-K454 WeakPolarHBondContact O-CA 3.24Å; I434-I455 HydrophobicContact CD1-CB 4.36Å; I434-I455 HydrophobicContact CD1-CD1 4.21Å; I434-I455 HydrophobicContact CG1-CB 3.82Å; I434-I455 HydrophobicContact CG1-CD1 4.44Å; I434-I455 PolarHBondContact N-O 2.92Å; I434-I455 PolarHBondContact O-N 3.14Å
435M97.8Very high92.6Very high22 Ų2240 Ų4011%0.10820%0.198CC..EExtended strand (participates in β ladder)trans-108.2135.2170.4-60.2-67.1-6400108.2A256 I275 E276 K278 L453 K454A256-M435 HydrophobicContact CB-CE 3.56Å; A256-M435 HydrophobicContact CB-SD 4.47Å; I275-M435 WeakPolarHBondContact CA-O 3.31Å; E276-M435 HydrophobicContact CB-CB 4.27Å; E276-M435 PolarHBondContact N-O 3.14Å; E276-M435 PolarHBondContact O-N 3.32Å; K278-M435 HydrophobicContact CB-CG 3.93Å; K278-M435 HydrophobicContact CB-SD 4.2Å; K278-M435 HydrophobicContact CD-SD 4.01Å; K278-M435 HydrophobicContact CG-CG 4.06Å; K278-M435 HydrophobicContact CG-SD 3.77Å; M435-L453 WeakPolarHBondContact CA-O 3.34Å; M435-K454 HydrophobicContact SD-CB 3.73Å
436V97.7Very high92.7Very high0 Ų036.6 Ų36.60%019%0.185CC..EExtended strand (participates in β ladder)trans-118.1123.5173.8-1710000107.9I264 M268 F273 Y274 I434 L453 I455I264-V436 HydrophobicContact CD1-CB 4.3Å; I264-V436 HydrophobicContact CD1-CG1 4.18Å; I264-V436 HydrophobicContact CD1-CG2 4.3Å; I264-V436 HydrophobicContact CG1-CG1 4.38Å; M268-V436 HydrophobicContact CE-CB 4.05Å; M268-V436 HydrophobicContact CE-CG1 3.6Å; M268-V436 HydrophobicContact CG-CG1 4.15Å; M268-V436 HydrophobicContact SD-CG1 4.09Å; F273-V436 HydrophobicContact CB-CG1 4.04Å; F273-V436 HydrophobicContact CD2-CG1 3.42Å; F273-V436 VanDerWaalsContact CD2-CG1 3.42Å; F273-V436 HydrophobicContact CE2-CG1 4.03Å; F273-V436 HydrophobicContact CG-CG1 3.83Å; Y274-V436 CarbonylContact O-C 3.59Å; Y274-V436 VanDerWaalsContact O-CA 3.32Å; Y274-V436 WeakPolarHBondContact O-CA 3.28Å; I434-V436 HydrophobicContact CD1-CG2 4.49Å; V436-L453 HydrophobicContact CB-CB 4.35Å; V436-L453 PolarHBondContact N-O 3.14Å; V436-L453 PolarHBondContact O-N 2.91Å; V436-I455 HydrophobicContact CG2-CD1 3.81Å
437K97.4Very high92.8Very high3 Ų341.9 Ų41.91%0.01321%0.207CC..EExtended strand (participates in β ladder)trans-127.3136.5-173.9-60.5-178.1-176.8162.40112.4Y274 E276 L387 Y391 P439 G451 W452Y274-K437 PolarHBondContact N-O 3.16Å; Y274-K437 PolarHBondContact O-N 3.17Å; E276-K437 VanDerWaalsContact CD-NZ 3.33Å; E276-K437 WeakPolarHBondContact OE1-CD 3.35Å; E276-K437 IonicContact OE1-NZ 3.67Å; E276-K437 PolarHBondContact OE1-NZ 3.24Å; E276-K437 WeakPolarHBondContact OE2-CE 3.37Å; E276-K437 IonicContact OE2-NZ 3.71Å; E276-K437 PolarHBondContact OE2-NZ 2.99Å; L387-K437 HydrophobicContact CD2-CB 3.55Å; L387-K437 HydrophobicContact CD2-CD 3.8Å; L387-K437 HydrophobicContact CD2-CG 4.32Å; Y391-K437 PolarHBondContact OH-NZ 3.06Å; K437-P439 WeakPolarHBondContact O-CD 3.41Å; K437-G451 CarbonylContact C-O 3.54Å; K437-G451 VanDerWaalsContact CA-O 3.28Å; K437-G451 WeakPolarHBondContact CA-O 3.34Å; K437-W452 HydrophobicContact CD-CD2 4.16Å; K437-W452 HydrophobicContact CD-CG 4.27Å; K437-W452 HydrophobicContact CD-CZ2 4.28Å; K437-W452 HydrophobicContact CG-CD2 4.37Å; K437-W452 HydrophobicContact CG-CG 3.97Å
438D96.7Very high93.1Very high34 Ų3448.1 Ų48.118%0.18223%0.23CC..  trans-73.3119.7171.5178.3-3.7000110.2M268 M440 S441 G451M268-D438 HydrophobicContact SD-CB 4.17Å; D438-M440 PolarHBondContact O-N 3.49Å; D438-M440 PolarHBondContact OD1-N 3.39Å; D438-S441 WeakPolarHBondContact O-CB 3.34Å; D438-S441 PolarHBondContact O-N 2.61Å; D438-S441 VanDerWaalsContact O-N 3.08Å; D438-S441 PolarHBondContact O-OG 3.37Å; D438-G451 PolarHBondContact N-O 3.13Å
439P96.9Very high93.1Very high13 Ų1345.6 Ų45.68%0.08422%0.224CC..THydrogen-bonded Turntrans-60.3-26178.8-24.135.9000113.7I272 Y274 L387 S388 K437I272-P439 WeakPolarHBondContact O-CD 3.29Å; I272-P439 VanDerWaalsContact O-CG 3.28Å; I272-P439 WeakPolarHBondContact O-CG 3.21Å; Y274-P439 HydrophobicContact CD2-CB 4.09Å; Y274-P439 HydrophobicContact CD2-CG 3.84Å; Y274-P439 HydrophobicContact CE2-CB 3.52Å; Y274-P439 HydrophobicContact CE2-CG 3.68Å; Y274-P439 HydrophobicContact CG-CG 4.34Å; L387-P439 PolarHBondContact N-O 2.84Å; S388-P439 PolarHBondContact N-O 3.44Å; S388-P439 PolarHBondContact OG-O 2.99Å; K437-P439 WeakPolarHBondContact O-CD 3.41Å
440M96.3Very high93.4Very high136 Ų13645.8 Ų45.867%0.6722%0.221SC*.THydrogen-bonded Turntrans-90.3-3.5179.7-62.4-55.5-6300112.9A386 D438A386-M440 HydrophobicContact CB-CE 4.47Å; A386-M440 HydrophobicContact CB-SD 4.49Å; D438-M440 PolarHBondContact O-N 3.49Å; D438-M440 PolarHBondContact OD1-N 3.39Å
441S96.3Very high93.9Very high8 Ų843 Ų436%0.05622%0.216CC..  trans-69.5134.7-179.664.70000112.7L387 R390 D438L387-S441 PolarHBondContact N-O 3.1Å; R390-S441 PolarHBondContact NH1-O 3.04Å; D438-S441 WeakPolarHBondContact O-CB 3.34Å; D438-S441 PolarHBondContact O-N 2.61Å; D438-S441 VanDerWaalsContact O-N 3.08Å; D438-S441 PolarHBondContact O-OG 3.37Å
442T96.9Very high94.4Very high43 Ų4340.2 Ų40.226%0.26420%0.202SC..  trans-82.3160.7168.859.70000110.7H384 K444H384-T442 WeakPolarHBondContact O-CG2 3.35Å; T442-K444 PolarHBondContact O-N 3.5Å
443Y97Very high94.9Very high9 Ų939.2 Ų39.24%0.03520%0.198CC..  trans-80.1115.9177.6-164.3-84.4000110.5I245 F251 P253 M254 D334 D373 L375 G383 P445 W452I245-Y443 HydrophobicContact CD1-CD1 4.13Å; I245-Y443 HydrophobicContact CD1-CE1 4.34Å; F251-Y443 HydrophobicContact CD2-CE1 4.14Å; F251-Y443 AromaticContact CE2-CE1 3.93Å; F251-Y443 HydrophobicContact CE2-CE1 3.93Å; F251-Y443 AromaticContact CE2-CZ 3.93Å; F251-Y443 WeakPolarHBondContact CE2-OH 3.48Å; P253-Y443 VanDerWaalsContact CA-OH 3.27Å; P253-Y443 WeakPolarHBondContact CA-OH 3.1Å; M254-Y443 HydrophobicContact CB-CD1 4.38Å; M254-Y443 HydrophobicContact CB-CD2 4.23Å; M254-Y443 HydrophobicContact CB-CE1 3.91Å; M254-Y443 HydrophobicContact CB-CE2 3.8Å; M254-Y443 PolarHBondContact N-OH 3.41Å; M254-Y443 HydrophobicContact SD-CD2 4.28Å; M254-Y443 HydrophobicContact SD-CG 4.46Å; D334-Y443 PolarHBondContact OD2-OH 3.23Å; D373-Y443 WeakPolarHBondContact OD2-CD2 3.4Å; L375-Y443 HydrophobicContact CD1-CD1 4.1Å; L375-Y443 HydrophobicContact CD1-CD2 4.42Å; L375-Y443 HydrophobicContact CD1-CE1 3.82Å; L375-Y443 HydrophobicContact CD1-CE2 4.12Å; L375-Y443 HydrophobicContact CD1-CG 4.38Å; L375-Y443 HydrophobicContact CD2-CD1 3.92Å; L375-Y443 HydrophobicContact CD2-CD2 3.41Å; L375-Y443 VanDerWaalsContact CD2-CD2 3.41Å; L375-Y443 HydrophobicContact CD2-CE1 4.35Å; L375-Y443 HydrophobicContact CD2-CE2 3.85Å; L375-Y443 HydrophobicContact CD2-CG 3.43Å; L375-Y443 VanDerWaalsContact CD2-CG 3.43Å; G383-Y443 PolarHBondContact O-N 2.88Å; Y443-P445 HydrophobicContact CD1-CG 4.19Å; Y443-P445 HydrophobicContact CE1-CG 4.27Å; Y443-P445 WeakPolarHBondContact O-CD 3.37Å; Y443-W452 HydrophobicContact CD2-CH2 4.47Å; Y443-W452 HydrophobicContact CD2-CZ2 4.38Å; Y443-W452 AromaticContact CE2-CH2 3.94Å; Y443-W452 HydrophobicContact CE2-CH2 3.94Å; Y443-W452 HydrophobicContact CE2-CZ2 4.29Å
444K94.8Very high95Very high76 Ų7641 Ų4133%0.3321%0.205SC..  trans-114.6102.2-179.3-60.7-172-168.1175.90111.5M254 T442 K447 E450M254-K444 WeakPolarHBondContact CG-O 3.41Å; M254-K444 PolarHBondContact SD-N 2.81Å; M254-K444 VanDerWaalsContact SD-N 3.45Å; T442-K444 PolarHBondContact O-N 3.5Å; K444-K447 HydrophobicContact CB-CB 3.79Å; K444-K447 HydrophobicContact CB-CG 3.71Å; K444-K447 PolarHBondContact O-N 2.63Å; K444-E450 HydrophobicContact CD-CB 3.86Å; K444-E450 HydrophobicContact CD-CG 3.99Å; K444-E450 IonicContact NZ-OE2 3.3Å; K444-E450 PolarHBondContact NZ-OE2 2.95Å
445P94.6Very high94.9Very high24 Ų2440.8 Ų40.816%0.15621%0.205CC..THydrogen-bonded Turntrans-55.5136.4179.7-28.537.2000113.6N221 V222 I245 K252 Y443 K447N221-P445 HydrophobicContact CB-CB 4.13Å; V222-P445 HydrophobicContact CG1-CG 4.1Å; I245-P445 HydrophobicContact CD1-CG 4.22Å; I245-P445 HydrophobicContact CG1-CG 4.38Å; K252-P445 VanDerWaalsContact O-CA 3.25Å; K252-P445 WeakPolarHBondContact O-CA 3.31Å; K252-P445 WeakPolarHBondContact O-CB 3.37Å; Y443-P445 HydrophobicContact CD1-CG 4.19Å; Y443-P445 HydrophobicContact CE1-CG 4.27Å; Y443-P445 WeakPolarHBondContact O-CD 3.37Å; P445-K447 PolarHBondContact O-N 2.84Å
446D94.3Very high94.6Very high52 Ų5240.4 Ų40.428%0.27820%0.202SC..THydrogen-bonded Turntrans57.55.5-178.4-152.326.1000116.2N221 K252 P253N221-D446 HydrophobicContact CB-CB 4.41Å; N221-D446 PolarHBondContact OD1-OD2 3.17Å; K252-D446 HydrophobicContact CB-CB 3.82Å; K252-D446 HydrophobicContact CD-CB 3.61Å; K252-D446 VanDerWaalsContact CD-OD2 3.28Å; K252-D446 WeakPolarHBondContact CD-OD2 2.72Å; K252-D446 HydrophobicContact CG-CB 4.45Å; K252-D446 IonicContact NZ-OD2 2.77Å; K252-D446 PolarHBondContact NZ-OD2 3.12Å; K252-D446 PolarHBondContact O-N 3.47Å; P253-D446 PolarHBondContact O-N 3.15Å
447K93.1Very high94.2Very high113 Ų11340.9 Ų40.949%0.49121%0.205SC..  trans-87.4145.6177-62.4-61.1-174.5170.30110.9L255 K444 P445 E450L255-K447 WeakPolarHBondContact CA-O 3.21Å; L255-K447 WeakPolarHBondContact CB-O 3.34Å; L255-K447 PolarHBondContact N-O 3.23Å; K444-K447 HydrophobicContact CB-CB 3.79Å; K444-K447 HydrophobicContact CB-CG 3.71Å; K444-K447 PolarHBondContact O-N 2.63Å; P445-K447 PolarHBondContact O-N 2.84Å; K447-E450 HydrophobicContact CB-CB 4.48Å; K447-E450 HydrophobicContact CB-CG 3.9Å
448R92.3Very high93.5Very high136 Ų13642.3 Ų42.351%0.51321%0.212SC..EExtended strand (participates in β ladder)trans-116.7124.2-179.1-176.1-176.9-65-86.34.4110.3L255 A256 A257L255-R448 HydrophobicContact CB-CB 4.16Å; L255-R448 HydrophobicContact CB-CG 4.37Å; L255-R448 WeakPolarHBondContact O-CA 3.21Å; A256-R448 WeakPolarHBondContact O-CG 3.43Å; A256-R448 PolarHBondContact O-NH1 3.31Å; A257-R448 HydrophobicContact CB-CG 4.07Å
449G85.1Confident92.9Very high28 Ų2843.7 Ų43.729%0.28922%0.215SC..EExtended strand (participates in β ladder)trans85.84.6171.700000116L255 G451L255-G449 PolarHBondContact O-N 3.44Å; G449-G451 PolarHBondContact O-N 2.91Å
450E89.1Confident92.2Very high94 Ų9444.2 Ų44.244%0.43922%0.218SC..EExtended strand (participates in β ladder)trans-79.655.8178-66.1-75.1152.500111.4M254 K444 K447M254-E450 HydrophobicContact CE-CB 4.16Å; M254-E450 WeakPolarHBondContact CE-O 3.29Å; K444-E450 HydrophobicContact CD-CB 3.86Å; K444-E450 HydrophobicContact CD-CG 3.99Å; K444-E450 IonicContact NZ-OE2 3.3Å; K444-E450 PolarHBondContact NZ-OE2 2.95Å; K447-E450 HydrophobicContact CB-CB 4.48Å; K447-E450 HydrophobicContact CB-CG 3.9Å
451G92.3Very high91.4Very high15 Ų1543.8 Ų43.816%0.15522%0.223CC..EExtended strand (participates in β ladder)trans104.4-10.6-178.400000114.8K437 D438 G449K437-G451 CarbonylContact C-O 3.54Å; K437-G451 VanDerWaalsContact CA-O 3.28Å; K437-G451 WeakPolarHBondContact CA-O 3.34Å; D438-G451 PolarHBondContact N-O 3.13Å; G449-G451 PolarHBondContact O-N 2.91Å
452W97.2Very high90.4Very high2 Ų245.7 Ų45.71%0.00824%0.244CC..EExtended strand (participates in β ladder)trans-111.4122.8174.1-70.916000111.1M254 A256 A257 R283 F372 D373 K437 Y443M254-W452 HydrophobicContact CB-CE3 4.33Å; M254-W452 HydrophobicContact CB-CH2 4.44Å; M254-W452 HydrophobicContact CB-CZ3 4.16Å; M254-W452 HydrophobicContact CE-CB 4.4Å; M254-W452 HydrophobicContact CE-CD2 4.3Å; M254-W452 HydrophobicContact CE-CG 3.93Å; M254-W452 HydrophobicContact CG-CD2 4.21Å; M254-W452 HydrophobicContact CG-CE3 4.16Å; M254-W452 HydrophobicContact CG-CZ3 4.47Å; M254-W452 HydrophobicContact SD-CD2 4.05Å; M254-W452 HydrophobicContact SD-CG 4.32Å; M254-W452 HydrophobicContact SD-CZ2 4.31Å; A256-W452 VanDerWaalsContact CA-O 3.23Å; A256-W452 WeakPolarHBondContact CA-O 3.46Å; A256-W452 HydrophobicContact CB-CB 4.22Å; A257-W452 PolarHBondContact N-O 3.4Å; R283-W452 VanDerWaalsContact NH2-CZ3 3.33Å; F372-W452 HydrophobicContact CD2-CH2 4.13Å; F372-W452 HydrophobicContact CE2-CH2 4.11Å; D373-W452 WeakPolarHBondContact OD2-CZ2 3.45Å; K437-W452 HydrophobicContact CD-CD2 4.16Å; K437-W452 HydrophobicContact CD-CG 4.27Å; K437-W452 HydrophobicContact CD-CZ2 4.28Å; K437-W452 HydrophobicContact CG-CD2 4.37Å; K437-W452 HydrophobicContact CG-CG 3.97Å; Y443-W452 HydrophobicContact CD2-CH2 4.47Å; Y443-W452 HydrophobicContact CD2-CZ2 4.38Å; Y443-W452 AromaticContact CE2-CH2 3.94Å; Y443-W452 HydrophobicContact CE2-CH2 3.94Å; Y443-W452 HydrophobicContact CE2-CZ2 4.29Å
453L96.8Very high89.5Confident11 Ų1144 Ų446%0.05823%0.233CC..EExtended strand (participates in β ladder)trans-120.5153.2176.8-56.4-178.9000110.1A257 A259 I264 Q267 M268 M435 V436A257-L453 HydrophobicContact CB-CD2 3.85Å; A257-L453 CarbonylContact O-C 3.39Å; A257-L453 WeakPolarHBondContact O-CA 3.47Å; A259-L453 HydrophobicContact CB-CB 3.75Å; A259-L453 HydrophobicContact CB-CD1 3.93Å; A259-L453 HydrophobicContact CB-CG 4.32Å; I264-L453 HydrophobicContact CD1-CD1 3.7Å; Q267-L453 HydrophobicContact CB-CD1 3.87Å; M268-L453 HydrophobicContact CE-CB 4.14Å; M268-L453 HydrophobicContact CE-CD1 3.3Å; M268-L453 HydrophobicContact CE-CG 3.56Å; M435-L453 WeakPolarHBondContact CA-O 3.34Å; V436-L453 HydrophobicContact CB-CB 4.35Å; V436-L453 PolarHBondContact N-O 3.14Å; V436-L453 PolarHBondContact O-N 2.91Å
454K96.2Very high88.9Confident37 Ų3744 Ų4416%0.16123%0.233CC..EExtended strand (participates in β ladder)trans-127.7137.9173.556.8166.1-178.3155.20110A256 A257 A259 I434 M435 Y459A256-K454 HydrophobicContact CB-CB 3.95Å; A256-K454 HydrophobicContact CB-CD 4.4Å; A256-K454 HydrophobicContact CB-CG 3.88Å; A257-K454 VanDerWaalsContact O-CG 3.29Å; A257-K454 WeakPolarHBondContact O-CG 3.43Å; A257-K454 PolarHBondContact O-N 3.18Å; A259-K454 PolarHBondContact N-O 2.84Å; A259-K454 VanDerWaalsContact N-O 3.11Å; I434-K454 WeakPolarHBondContact O-CA 3.24Å; M435-K454 HydrophobicContact SD-CB 3.73Å; K454-Y459 HydrophobicContact CD-CE2 4.45Å; K454-Y459 PolarHBondContact NZ-OH 2.9Å
455I94.6Very high88.4Confident1 Ų141.4 Ų41.41%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-123.8130.4176.6-57.9167.6000106.9A259 V261 I264 V419 L423 G433 I434 V436A259-I455 HydrophobicContact CB-CD1 3.97Å; A259-I455 HydrophobicContact CB-CG1 3.47Å; A259-I455 VanDerWaalsContact CB-CG1 3.47Å; V261-I455 HydrophobicContact CG2-CD1 4.23Å; V261-I455 HydrophobicContact CG2-CG1 4.48Å; V261-I455 HydrophobicContact CG2-CG2 3.63Å; I264-I455 HydrophobicContact CD1-CD1 4.21Å; V419-I455 HydrophobicContact CG1-CD1 3.48Å; V419-I455 VanDerWaalsContact CG1-CD1 3.48Å; L423-I455 HydrophobicContact CD1-CG2 4.11Å; L423-I455 HydrophobicContact CD2-CG2 3.84Å; G433-I455 WeakPolarHBondContact CA-O 3.39Å; I434-I455 HydrophobicContact CD1-CB 4.36Å; I434-I455 HydrophobicContact CD1-CD1 4.21Å; I434-I455 HydrophobicContact CG1-CB 3.82Å; I434-I455 HydrophobicContact CG1-CD1 4.44Å; I434-I455 PolarHBondContact N-O 2.92Å; I434-I455 PolarHBondContact O-N 3.14Å; V436-I455 HydrophobicContact CG2-CD1 3.81Å
456K91.9Very high88Confident13 Ų1343.6 Ų43.66%0.05723%0.232CC..  trans-131.3151.7177-65-169.7176.9-165.80109.6E432 E458 Y459E432-K456 WeakPolarHBondContact O-CG 3.34Å; E432-K456 WeakPolarHBondContact OE1-CE 3.44Å; E432-K456 IonicContact OE1-NZ 3.91Å; E432-K456 PolarHBondContact OE1-NZ 3.26Å; K456-E458 HydrophobicContact CB-CG 3.83Å; K456-E458 HydrophobicContact CD-CG 4Å; K456-E458 WeakPolarHBondContact CD-OE1 3.18Å; K456-E458 IonicContact NZ-OE1 3.3Å; K456-E458 PolarHBondContact O-N 2.81Å; K456-E458 VanDerWaalsContact O-N 3.16Å; K456-Y459 HydrophobicContact CB-CD2 3.79Å; K456-Y459 HydrophobicContact CB-CE2 3.8Å; K456-Y459 HydrophobicContact CB-CG 4.33Å; K456-Y459 HydrophobicContact CD-CE2 3.87Å; K456-Y459 HydrophobicContact CG-CD2 4.19Å; K456-Y459 HydrophobicContact CG-CE2 3.72Å; K456-Y459 PolarHBondContact O-N 3.18Å
457P87.8Confident88Confident11 Ų1141.1 Ų41.17%0.07122%0.218CC..G310 helixtrans-55.6-36175.7-24.935000112.4L423 I427 Y459 V460 M464 A616L423-P457 HydrophobicContact CD1-CG 4.29Å; I427-P457 HydrophobicContact CD1-CB 4.14Å; I427-P457 HydrophobicContact CD1-CG 3.81Å; I427-P457 HydrophobicContact CG1-CB 4.25Å; I427-P457 HydrophobicContact CG1-CG 3.49Å; I427-P457 VanDerWaalsContact CG1-CG 3.49Å; P457-Y459 PolarHBondContact O-N 3.18Å; P457-Y459 VanDerWaalsContact O-N 3.12Å; P457-V460 PolarHBondContact O-N 3.45Å; P457-M464 HydrophobicContact CB-SD 3.87Å; P457-A616 HydrophobicContact CB-CB 3.44Å; P457-A616 VanDerWaalsContact CB-CB 3.44Å; P457-A616 HydrophobicContact CG-CB 3.88Å
458E83.9Confident88.1Confident32 Ų3236.9 Ų36.915%0.1520%0.201CC..G310 helixtrans-62.8-18.717971.7-174.7-160.700114.6K456 M464 K565K456-E458 HydrophobicContact CB-CG 3.83Å; K456-E458 HydrophobicContact CD-CG 4Å; K456-E458 WeakPolarHBondContact CD-OE1 3.18Å; K456-E458 IonicContact NZ-OE1 3.3Å; K456-E458 PolarHBondContact O-N 2.81Å; K456-E458 VanDerWaalsContact O-N 3.16Å; E458-M464 HydrophobicContact CB-CE 4.25Å; E458-M464 HydrophobicContact CB-CG 4.29Å; E458-M464 HydrophobicContact CB-SD 4.2Å; E458-K565 WeakPolarHBondContact O-CE 3.32Å; E458-K565 PolarHBondContact O-NZ 3.37Å
459Y84.1Confident88.4Confident64 Ų6430.4 Ų30.425%0.25118%0.176SC..G310 helixtrans-89.7-14.9177.9-56.8-30.2000113I258 K454 K456 P457I258-Y459 HydrophobicContact CD1-CE1 4.15Å; I258-Y459 HydrophobicContact CD1-CE2 4.24Å; I258-Y459 HydrophobicContact CG1-CD2 4.31Å; I258-Y459 HydrophobicContact CG1-CE2 3.88Å; I258-Y459 HydrophobicContact CG2-CD2 3.59Å; I258-Y459 HydrophobicContact CG2-CE2 4.05Å; I258-Y459 HydrophobicContact CG2-CG 3.9Å; K454-Y459 HydrophobicContact CD-CE2 4.45Å; K454-Y459 PolarHBondContact NZ-OH 2.9Å; K456-Y459 HydrophobicContact CB-CD2 3.79Å; K456-Y459 HydrophobicContact CB-CE2 3.8Å; K456-Y459 HydrophobicContact CB-CG 4.33Å; K456-Y459 HydrophobicContact CD-CE2 3.87Å; K456-Y459 HydrophobicContact CG-CD2 4.19Å; K456-Y459 HydrophobicContact CG-CE2 3.72Å; K456-Y459 PolarHBondContact O-N 3.18Å; P457-Y459 PolarHBondContact O-N 3.18Å; P457-Y459 VanDerWaalsContact O-N 3.12Å
460V82.2Confident89Confident23 Ų2329 Ų2914%0.13916%0.163CC..SBendtrans-93.3130.6179.4-170.90000109.2V261 L423 P457 G462 L463 L620V261-V460 HydrophobicContact CG2-CG2 4.25Å; L423-V460 HydrophobicContact CD2-CG2 4.3Å; P457-V460 PolarHBondContact O-N 3.45Å; V460-G462 PolarHBondContact O-N 3.18Å; V460-L463 HydrophobicContact CB-CB 4.39Å; V460-L463 HydrophobicContact CB-CD1 3.5Å; V460-L463 VanDerWaalsContact CB-CD1 3.5Å; V460-L463 HydrophobicContact CB-CG 3.78Å; V460-L463 HydrophobicContact CG1-CD1 3.7Å; V460-L463 HydrophobicContact CG1-CG 3.73Å; V460-L463 HydrophobicContact CG2-CD1 3.88Å; V460-L620 HydrophobicContact CG1-CD1 3.87Å; V460-L620 HydrophobicContact CG1-CD2 4.39Å
461T78.3Confident89.4Confident128 Ų12824.6 Ų24.679%0.78514%0.142SC*.THydrogen-bonded Turntrans-67.3130.5179-52.70000109.9L463T461-L463 PolarHBondContact O-N 3.04Å
462G75.8Confident89.6Confident47 Ų4723.9 Ų23.949%0.48513%0.134SC..THydrogen-bonded Turntrans85.9-8.7175.600000116.7V460V460-G462 PolarHBondContact O-N 3.18Å
463L78.1Confident89.6Confident7 Ų723.8 Ų23.84%0.03713%0.134CC..THydrogen-bonded Turntrans-79.9-29.8177.8-67.9-168.8000114.1I427 V460 T461 K618 L620I427-L463 HydrophobicContact CD1-CD1 4.45Å; V460-L463 HydrophobicContact CB-CB 4.39Å; V460-L463 HydrophobicContact CB-CD1 3.5Å; V460-L463 VanDerWaalsContact CB-CD1 3.5Å; V460-L463 HydrophobicContact CB-CG 3.78Å; V460-L463 HydrophobicContact CG1-CD1 3.7Å; V460-L463 HydrophobicContact CG1-CG 3.73Å; V460-L463 HydrophobicContact CG2-CD1 3.88Å; T461-L463 PolarHBondContact O-N 3.04Å; L463-K618 HydrophobicContact CD2-CB 4.48Å; L463-L620 HydrophobicContact CD1-CB 4.13Å; L463-L620 HydrophobicContact CD2-CB 4.1Å; L463-L620 HydrophobicContact CD2-CD1 4.45Å
464M83.4Confident89.5Confident9 Ų923.2 Ų23.24%0.04413%0.131CC..BIsolated β-bridgetrans-86.4140.1179-56.9-58.4-77.200110.7P457 E458 E466 K565 A566 L615 A616P457-M464 HydrophobicContact CB-SD 3.87Å; E458-M464 HydrophobicContact CB-CE 4.25Å; E458-M464 HydrophobicContact CB-CG 4.29Å; E458-M464 HydrophobicContact CB-SD 4.2Å; M464-E466 PolarHBondContact O-N 2.9Å; M464-K565 HydrophobicContact CB-CG 4.26Å; M464-K565 HydrophobicContact CG-CD 4.37Å; M464-K565 HydrophobicContact CG-CG 4.27Å; M464-A566 WeakPolarHBondContact CE-O 3.36Å; M464-L615 WeakPolarHBondContact CA-O 3.32Å; M464-L615 HydrophobicContact CE-CB 3.86Å; M464-A616 HydrophobicContact CE-CB 4.32Å; M464-A616 HydrophobicContact SD-CB 3.63Å
465D84.3Confident89.4Confident22 Ų2222.1 Ų22.112%0.11813%0.126CC..PPolyproline II helixtrans-73.9120162.3-71.9-31.9000108.6L607 K610 L615 K618D465-L607 HydrophobicContact CB-CD2 3.92Å; D465-K610 IonicContact OD2-NZ 2.72Å; D465-K610 PolarHBondContact OD2-NZ 3.49Å; D465-L615 HydrophobicContact CB-CD2 4.42Å; D465-L615 PolarHBondContact N-O 3.27Å; D465-K618 WeakPolarHBondContact OD1-CE 3.3Å; D465-K618 IonicContact OD1-NZ 3.96Å; D465-K618 PolarHBondContact OD1-NZ 3.45Å
466E87.2Confident89.1Confident71 Ų7124.7 Ų24.733%0.33214%0.136SC..PPolyproline II helixtrans-92147.8-177-63.1160.2154.600110.3M464 Q563M464-E466 PolarHBondContact O-N 2.9Å; E466-Q563 HydrophobicContact CB-CG 4.05Å; E466-Q563 PolarHBondContact OE2-NE2 3.15Å
467L93.9Very high88.7Confident0 Ų024.1 Ų24.10%013%0.134CC..EExtended strand (participates in β ladder)trans-113.4116.9-176.7-59.992.2000110.7L469 I564 L581 M599 L604 L607 L615L467-L469 HydrophobicContact CB-CD1 4.28Å; L467-L469 HydrophobicContact CB-CD2 4.17Å; L467-L469 HydrophobicContact CB-CG 3.97Å; L467-L469 PolarHBondContact O-N 3.25Å; L467-I564 PolarHBondContact N-O 3.46Å; L467-I564 PolarHBondContact O-N 3.26Å; L467-L581 HydrophobicContact CD1-CD1 4.46Å; L467-L581 HydrophobicContact CD2-CD1 4.23Å; L467-L581 HydrophobicContact CD2-CD2 3.9Å; L467-M599 HydrophobicContact CB-CE 3.87Å; L467-M599 HydrophobicContact CB-SD 4.27Å; L467-M599 HydrophobicContact CD2-CE 4.13Å; L467-M599 HydrophobicContact CD2-SD 3.87Å; L467-M599 HydrophobicContact CG-CE 3.88Å; L467-M599 HydrophobicContact CG-SD 4.27Å; L467-L604 HydrophobicContact CD2-CD1 4.1Å; L467-L607 HydrophobicContact CD2-CD1 4.49Å; L467-L607 HydrophobicContact CG-CD1 4.43Å; L467-L615 HydrophobicContact CD1-CD1 3.57Å; L467-L615 HydrophobicContact CD1-CD2 4.06Å; L467-L615 HydrophobicContact CD1-CG 4.46Å
468D96.4Very high88.3Confident23 Ų2329.8 Ų29.812%0.12316%0.157CC..EExtended strand (participates in β ladder)trans-85.1100.2172.8-73.9-36.9000109.8I561 R590 K593 M599D468-I561 HydrophobicContact CB-CG2 3.81Å; D468-R590 IonicContact OD1-CZ 2.63Å; D468-R590 IonicContact OD1-NH1 3.67Å; D468-R590 PolarHBondContact OD1-NH1 2.69Å; D468-R590 IonicContact OD2-CZ 3.95Å; D468-R590 IonicContact OD2-NH1 2.81Å; D468-R590 PolarHBondContact OD2-NH1 2.85Å; D468-K593 WeakPolarHBondContact OD2-CE 3.48Å; D468-K593 IonicContact OD2-NZ 3.99Å; D468-K593 PolarHBondContact OD2-NZ 3.24Å; D468-M599 WeakPolarHBondContact O-CB 3.49Å; D468-M599 PolarHBondContact O-N 2.97Å
469L97.3Very high88.1Confident0 Ų029.5 Ų29.50%016%0.163CC..EExtended strand (participates in β ladder)trans-112.5146-173.7-58.4-177.1000111.7L467 C490 I492 I508 I561 V562 I564 L581 M599L467-L469 HydrophobicContact CB-CD1 4.28Å; L467-L469 HydrophobicContact CB-CD2 4.17Å; L467-L469 HydrophobicContact CB-CG 3.97Å; L467-L469 PolarHBondContact O-N 3.25Å; L469-C490 HydrophobicContact CB-CB 4.05Å; L469-C490 HydrophobicContact CD1-CB 4.35Å; L469-I492 HydrophobicContact CD2-CG2 3.53Å; L469-I508 HydrophobicContact CD1-CG2 3.71Å; L469-I508 HydrophobicContact CD2-CG2 4.29Å; L469-I561 WeakPolarHBondContact O-CA 3.07Å; L469-V562 PolarHBondContact N-O 2.76Å; L469-V562 WeakPolarHBondContact O-CG2 3.47Å; L469-V562 PolarHBondContact O-N 2.99Å; L469-I564 HydrophobicContact CB-CD1 4.15Å; L469-I564 HydrophobicContact CD1-CB 4.32Å; L469-I564 HydrophobicContact CD1-CD1 3.7Å; L469-I564 HydrophobicContact CD1-CG1 4.42Å; L469-I564 HydrophobicContact CG-CD1 4.3Å; L469-L581 HydrophobicContact CD1-CD1 3.74Å; L469-M599 HydrophobicContact CD2-CB 4.31Å; L469-M599 HydrophobicContact CD2-SD 4.19Å
470L97.9Very high87.5Confident0 Ų031.9 Ų31.90%019%0.189CC..EExtended strand (participates in β ladder)trans-89.3134.8179.2-168.869.8000111.2V472 C490 A491 F505 P556 I561 W595 C598L470-V472 HydrophobicContact CD2-CG1 4.4Å; L470-V472 PolarHBondContact O-N 2.64Å; L470-C490 CarbonylContact O-C 3.12Å; L470-C490 WeakPolarHBondContact O-CA 2.9Å; L470-A491 PolarHBondContact N-O 3.19Å; L470-A491 PolarHBondContact O-N 3.48Å; L470-F505 HydrophobicContact CB-CE1 4.45Å; L470-F505 HydrophobicContact CD2-CD1 3.82Å; L470-F505 HydrophobicContact CD2-CE1 3.41Å; L470-F505 VanDerWaalsContact CD2-CE1 3.41Å; L470-F505 HydrophobicContact CD2-CZ 3.81Å; L470-P556 HydrophobicContact CD2-CB 3.66Å; L470-P556 HydrophobicContact CD2-CG 4.5Å; L470-I561 HydrophobicContact CD1-CG1 3.77Å; L470-W595 HydrophobicContact CD1-CB 3.87Å; L470-C598 HydrophobicContact CB-CB 4.11Å; L470-C598 PolarHBondContact N-SG 3.41Å
471I97.8Very high87.4Confident0 Ų033.7 Ų33.70%019%0.193CC..EExtended strand (participates in β ladder)trans-69.7128.6168.6-65.5173.4000108.9F488 L523 L527 W531 I554 S559 V560 V562I471-F488 HydrophobicContact CD1-CB 4.36Å; I471-F488 HydrophobicContact CD1-CD1 4.26Å; I471-F488 HydrophobicContact CD1-CD2 4.33Å; I471-F488 HydrophobicContact CD1-CG 4.05Å; I471-F488 HydrophobicContact CG1-CB 4.17Å; I471-F488 HydrophobicContact CG1-CG 4.4Å; I471-F488 HydrophobicContact CG2-CB 4.12Å; I471-F488 HydrophobicContact CG2-CD1 3.94Å; I471-F488 HydrophobicContact CG2-CG 4.29Å; I471-L523 HydrophobicContact CD1-CD2 4.04Å; I471-L527 HydrophobicContact CD1-CD1 4.33Å; I471-L527 HydrophobicContact CG2-CD1 4.47Å; I471-W531 HydrophobicContact CG2-CH2 3.94Å; I471-I554 HydrophobicContact CG2-CG2 4.42Å; I471-S559 VanDerWaalsContact O-CB 3.23Å; I471-S559 WeakPolarHBondContact O-CB 3.38Å; I471-S559 PolarHBondContact O-OG 3.33Å; I471-V560 PolarHBondContact N-O 3.16Å; I471-V560 VanDerWaalsContact N-O 3.15Å; I471-V562 HydrophobicContact CD1-CG1 3.76Å; I471-V562 HydrophobicContact CG1-CG1 4.15Å; I471-V562 HydrophobicContact CG1-CG2 4.09Å
472V97.3Very high87.5Confident0 Ų028.7 Ų28.70%017%0.167CC..EExtended strand (participates in β ladder)trans-124.9-12.4177-65.90000113L470 L489 A491 F505 I543 Y553 I554L470-V472 HydrophobicContact CD2-CG1 4.4Å; L470-V472 PolarHBondContact O-N 2.64Å; V472-L489 HydrophobicContact CG2-CB 4.4Å; V472-L489 HydrophobicContact CG2-CD2 4.22Å; V472-L489 HydrophobicContact CG2-CG 4.02Å; V472-L489 WeakPolarHBondContact CG2-O 3.46Å; V472-L489 PolarHBondContact N-O 3.25Å; V472-A491 HydrophobicContact CB-CB 4.28Å; V472-A491 HydrophobicContact CG1-CB 3.61Å; V472-A491 HydrophobicContact CG2-CB 3.67Å; V472-F505 HydrophobicContact CG1-CB 4.37Å; V472-I543 HydrophobicContact CB-CD1 4.05Å; V472-I543 HydrophobicContact CB-CG1 4.18Å; V472-I543 HydrophobicContact CB-CG2 3.9Å; V472-I543 HydrophobicContact CG1-CG1 4.31Å; V472-I543 HydrophobicContact CG1-CG2 4.48Å; V472-I543 HydrophobicContact CG2-CG2 3.87Å; V472-Y553 WeakPolarHBondContact O-CA 3.39Å; V472-I554 PolarHBondContact O-N 3.12Å; V472-I554 VanDerWaalsContact O-N 3.1Å
473G96.4Very high87.6Confident0 Ų027.9 Ų27.90%016%0.159CC..EExtended strand (participates in β ladder)trans-154.3164.1178.100000113.9F488 L489 V552G473-F488 CarbonylContact O-C 3.57Å; G473-F488 VanDerWaalsContact O-CA 3.28Å; G473-F488 WeakPolarHBondContact O-CA 3.21Å; G473-L489 PolarHBondContact N-O 3.24Å; G473-L489 PolarHBondContact O-N 2.84Å; G473-V552 CarbonylContact C-O 3.51Å; G473-V552 WeakPolarHBondContact CA-O 3.21Å
474G95.3Very high87.9Confident0 Ų029.7 Ų29.70%017%0.168CC..EExtended strand (participates in β ladder)trans-131.4153.1-178.100000112.9E551 V552G474-E551 PolarHBondContact O-N 2.99Å; G474-E551 VanDerWaalsContact O-N 3.12Å; G474-V552 PolarHBondContact N-O 3.04Å; G474-V552 PolarHBondContact O-N 3.41Å
475Y92.9Very high88.2Confident14 Ų1429.6 Ų29.66%0.05517%0.167CC..EExtended strand (participates in β ladder)trans-128.8132.4172.6-54.8-95.9000110.1S486 H487 L489 R510 E548 K549 P550 E551Y475-S486 PolarHBondContact O-N 3.2Å; Y475-H487 HydrophobicContact CD2-CB 3.97Å; Y475-H487 WeakPolarHBondContact CD2-O 3.46Å; Y475-H487 HydrophobicContact CG-CB 4.4Å; Y475-H487 PolarHBondContact N-O 3.21Å; Y475-H487 PolarHBondContact O-N 2.88Å; Y475-L489 HydrophobicContact CE2-CB 4.02Å; Y475-R510 HydrophobicContact CD2-CG 4.15Å; Y475-R510 VanDerWaalsContact CE2-CD 3.49Å; Y475-R510 HydrophobicContact CE2-CG 3.74Å; Y475-E548 WeakPolarHBondContact OH-CG 3.25Å; Y475-E548 PolarHBondContact OH-OE1 3.44Å; Y475-K549 WeakPolarHBondContact CE1-O 3.15Å; Y475-K549 PolarHBondContact OH-O 3.3Å; Y475-P550 HydrophobicContact CE2-CB 4.47Å; Y475-E551 HydrophobicContact CD1-CG 4.14Å
476W89.3Confident88.3Confident55 Ų5528.6 Ų28.621%0.20816%0.162CC..EExtended strand (participates in β ladder)trans-63.9136.2175.5-68.2103.7000111R118 P120 G483 M485 E551R118-W476 HydrophobicContact CB-CB 3.65Å; R118-W476 WeakPolarHBondContact O-CB 3.37Å; P120-W476 VanDerWaalsContact CD-CD2 3.48Å; P120-W476 VanDerWaalsContact CD-CE3 3.41Å; P120-W476 HydrophobicContact CG-CD2 4.38Å; P120-W476 HydrophobicContact CG-CE3 3.93Å; P120-W476 HydrophobicContact CG-CH2 3.61Å; P120-W476 HydrophobicContact CG-CZ2 4.04Å; P120-W476 HydrophobicContact CG-CZ3 3.54Å; W476-G483 WeakPolarHBondContact CZ3-O 3.35Å; W476-M485 HydrophobicContact CB-CE 4.45Å; W476-M485 HydrophobicContact CD2-CE 3.07Å; W476-M485 HydrophobicContact CD2-SD 4.49Å; W476-M485 HydrophobicContact CE3-CE 2.98Å; W476-M485 HydrophobicContact CG-CE 3.77Å; W476-M485 HydrophobicContact CH2-CE 3.35Å; W476-M485 HydrophobicContact CZ2-CE 3.48Å; W476-M485 VanDerWaalsContact CZ2-CE 3.48Å; W476-M485 HydrophobicContact CZ3-CE 3.1Å; W476-E551 WeakPolarHBondContact CB-OE2 3.29Å; W476-E551 PolarHBondContact N-OE2 3.08Å
477G84.4Confident88.5Confident1 Ų128.3 Ų28.31%0.0116%0.161CC..BIsolated β-bridgetrans-75.8168.7178.800000115.2R481 M484 S486G477-R481 CarbonylContact C-O 3.53Å; G477-R481 VanDerWaalsContact CA-O 3.28Å; G477-R481 WeakPolarHBondContact CA-O 3.4Å; G477-M484 PolarHBondContact N-O 3.3Å; G477-S486 WeakPolarHBondContact CA-OG 3.47Å; G477-S486 PolarHBondContact N-OG 2.81Å
478K79.1Confident88.6Confident129 Ų12928.4 Ų28.456%0.56116%0.161SC*.  trans-127.4157.2176.666.2176.6-174.8172.70110.5G128 S480 R481G128-K478 WeakPolarHBondContact O-CA 3.34Å; K478-S480 PolarHBondContact O-N 3.23Å; K478-R481 PolarHBondContact O-N 3.47Å
479G78.1Confident88.7Confident26 Ų2627.3 Ų27.327%0.26816%0.155SC..G310 helixtrans59.7-126.1-179.900000112.5G128 R481 G482G128-G479 PolarHBondContact O-N 2.83Å; G479-R481 PolarHBondContact O-N 3.28Å; G479-R481 VanDerWaalsContact O-N 3.15Å; G479-G482 PolarHBondContact O-N 3.32Å
480S72.4Confident88.7Confident115 Ų11527.3 Ų27.380%0.80416%0.155SC*.G310 helixtrans-64.5-16.6-177.856.50000114.7K478K478-S480 PolarHBondContact O-N 3.23Å
481R79.9Confident88.7Confident60 Ų6027.3 Ų27.323%0.22616%0.155CC..G310 helixtrans-104.216174.7-59.7-176.8177.4174.3-1.9112.4G477 K478 G479 M484 G512 Y515 M517 L520G477-R481 CarbonylContact C-O 3.53Å; G477-R481 VanDerWaalsContact CA-O 3.28Å; G477-R481 WeakPolarHBondContact CA-O 3.4Å; K478-R481 PolarHBondContact O-N 3.47Å; G479-R481 PolarHBondContact O-N 3.28Å; G479-R481 VanDerWaalsContact O-N 3.15Å; R481-M484 PolarHBondContact O-N 3.02Å; R481-G512 PolarHBondContact NH1-O 2.76Å; R481-Y515 PolarHBondContact NH1-OH 2.99Å; R481-M517 HydrophobicContact CG-CE 4.26Å; R481-M517 HydrophobicContact CG-SD 4.06Å; R481-L520 HydrophobicContact CG-CD2 4.38Å
482G80.1Confident88.6Confident23 Ų2327.4 Ų27.424%0.23716%0.155CC..BIsolated β-bridgetrans-58.2139.9176.500000112.5A127 G479 M484A127-G482 CarbonylContact O-C 3.45Å; A127-G482 WeakPolarHBondContact O-CA 3.33Å; G479-G482 PolarHBondContact O-N 3.32Å; G482-M484 VanDerWaalsContact C-N 3.27Å; G482-M484 PolarHBondContact O-N 3.45Å
483G78.1Confident88.6Confident30 Ų3027.4 Ų27.431%0.30916%0.155SC..THydrogen-bonded Turntrans77.13.4179.500000115.8A127 W476A127-G483 PolarHBondContact O-N 3.1Å; W476-G483 WeakPolarHBondContact CZ3-O 3.35Å
484M85.4Confident88.5Confident45 Ų4531.2 Ų31.222%0.22217%0.173CC..SBendtrans-125.8159.8176.7-60.2176.867.900111.3G477 R481 G482 S486 Y521G477-M484 PolarHBondContact N-O 3.3Å; R481-M484 PolarHBondContact O-N 3.02Å; G482-M484 VanDerWaalsContact C-N 3.27Å; G482-M484 PolarHBondContact O-N 3.45Å; M484-S486 PolarHBondContact O-N 3.35Å; M484-Y521 HydrophobicContact CE-CD2 3.5Å; M484-Y521 HydrophobicContact CE-CG 4.05Å; M484-Y521 HydrophobicContact SD-CD2 4.23Å
485M88.9Confident88.2Confident8 Ų834.2 Ų34.24%0.03919%0.192CC..EExtended strand (participates in β ladder)trans-65.9128163.2-73.7-41.290.800108.5W476 F488 L520 W531 V552W476-M485 HydrophobicContact CB-CE 4.45Å; W476-M485 HydrophobicContact CD2-CE 3.07Å; W476-M485 HydrophobicContact CD2-SD 4.49Å; W476-M485 HydrophobicContact CE3-CE 2.98Å; W476-M485 HydrophobicContact CG-CE 3.77Å; W476-M485 HydrophobicContact CH2-CE 3.35Å; W476-M485 HydrophobicContact CZ2-CE 3.48Å; W476-M485 VanDerWaalsContact CZ2-CE 3.48Å; W476-M485 HydrophobicContact CZ3-CE 3.1Å; M485-F488 HydrophobicContact CB-CE1 3.63Å; M485-F488 HydrophobicContact CB-CZ 3.94Å; M485-F488 HydrophobicContact CG-CE1 4.22Å; M485-L520 VanDerWaalsContact O-CD1 3.25Å; M485-L520 WeakPolarHBondContact O-CD1 3.35Å; M485-W531 HydrophobicContact CG-CZ2 3.97Å; M485-V552 HydrophobicContact SD-CG2 3.97Å
486S85.9Confident87.9Confident1 Ų135.4 Ų35.41%0.00720%0.201CC..EExtended strand (participates in β ladder)trans-127.6-17.4-177.865.20000113.3Y475 G477 M484 G512 Y515Y475-S486 PolarHBondContact O-N 3.2Å; G477-S486 WeakPolarHBondContact CA-OG 3.47Å; G477-S486 PolarHBondContact N-OG 2.81Å; M484-S486 PolarHBondContact O-N 3.35Å; S486-G512 WeakPolarHBondContact O-CA 3.43Å; S486-Y515 PolarHBondContact O-OH 2.98Å
487H92.3Very high87.8Confident65 Ų6536.3 Ų36.330%0.30121%0.214SC..EExtended strand (participates in β ladder)trans-132.2145.8172.1-51.765.3000106.9Y475 R510 V511Y475-H487 HydrophobicContact CD2-CB 3.97Å; Y475-H487 WeakPolarHBondContact CD2-O 3.46Å; Y475-H487 HydrophobicContact CG-CB 4.4Å; Y475-H487 PolarHBondContact N-O 3.21Å; Y475-H487 PolarHBondContact O-N 2.88Å; H487-R510 HydrophobicContact CB-CG 4.2Å; H487-V511 CarbonylContact C-O 3.48Å; H487-V511 VanDerWaalsContact CA-O 3.25Å; H487-V511 WeakPolarHBondContact CA-O 3.43Å
488F95.8Very high87.7Confident1 Ų142.1 Ų42.10%0.00425%0.251CS..EExtended strand (participates in β ladder)trans-121.2138.6-179.1-58-71.5000109I471 G473 M485 R510 V511 Y515 L520 L523 L527 W531 I586I471-F488 HydrophobicContact CD1-CB 4.36Å; I471-F488 HydrophobicContact CD1-CD1 4.26Å; I471-F488 HydrophobicContact CD1-CD2 4.33Å; I471-F488 HydrophobicContact CD1-CG 4.05Å; I471-F488 HydrophobicContact CG1-CB 4.17Å; I471-F488 HydrophobicContact CG1-CG 4.4Å; I471-F488 HydrophobicContact CG2-CB 4.12Å; I471-F488 HydrophobicContact CG2-CD1 3.94Å; I471-F488 HydrophobicContact CG2-CG 4.29Å; G473-F488 CarbonylContact O-C 3.57Å; G473-F488 VanDerWaalsContact O-CA 3.28Å; G473-F488 WeakPolarHBondContact O-CA 3.21Å; M485-F488 HydrophobicContact CB-CE1 3.63Å; M485-F488 HydrophobicContact CB-CZ 3.94Å; M485-F488 HydrophobicContact CG-CE1 4.22Å; F488-R510 WeakPolarHBondContact O-CA 3.19Å; F488-V511 HydrophobicContact CB-CG1 4.4Å; F488-V511 PolarHBondContact N-O 3.2Å; F488-V511 PolarHBondContact O-N 3Å; F488-Y515 HydrophobicContact CE2-CE1 4.23Å; F488-L520 HydrophobicContact CE2-CD1 3.77Å; F488-L520 HydrophobicContact CZ-CD1 3.9Å; F488-L523 HydrophobicContact CE2-CD2 3.82Å; F488-L523 HydrophobicContact CZ-CD2 3.82Å; F488-L523 HydrophobicContact CZ-CG 4.46Å; F488-L527 HydrophobicContact CE1-CD1 4.47Å; F488-W531 HydrophobicContact CD1-CH2 4.29Å; F488-W531 HydrophobicContact CD1-CZ2 4.36Å; F488-W531 HydrophobicContact CE1-CH2 4.48Å; F488-W531 HydrophobicContact CE1-CZ2 4.1Å; F488-I586 HydrophobicContact CD2-CD1 4.36Å
489L97.4Very high87.7Confident0 Ų044.5 Ų44.50%027%0.271CS..EExtended strand (participates in β ladder)trans-84.7123.6164.7-177.264.4000107V472 G473 Y475 P550 Y575V472-L489 HydrophobicContact CG2-CB 4.4Å; V472-L489 HydrophobicContact CG2-CD2 4.22Å; V472-L489 HydrophobicContact CG2-CG 4.02Å; V472-L489 WeakPolarHBondContact CG2-O 3.46Å; V472-L489 PolarHBondContact N-O 3.25Å; G473-L489 PolarHBondContact N-O 3.24Å; G473-L489 PolarHBondContact O-N 2.84Å; Y475-L489 HydrophobicContact CE2-CB 4.02Å; L489-P550 HydrophobicContact CB-CB 4.35Å; L489-P550 HydrophobicContact CD2-CB 4.1Å; L489-P550 HydrophobicContact CD2-CG 3.88Å; L489-Y575 HydrophobicContact CD1-CD1 4.22Å; L489-Y575 HydrophobicContact CD1-CE1 3.94Å
490C97.6Very high88.3Confident0 Ų049.5 Ų49.50%029%0.287CS..EExtended strand (participates in β ladder)trans-105.5152.6177.7-66.40000110.6L469 L470 I508 C509 I564L469-C490 HydrophobicContact CB-CB 4.05Å; L469-C490 HydrophobicContact CD1-CB 4.35Å; L470-C490 CarbonylContact O-C 3.12Å; L470-C490 WeakPolarHBondContact O-CA 2.9Å; C490-I508 HydrophobicContact CB-CG2 4.45Å; C490-I508 PolarHBondContact O-N 2.81Å; C490-C509 PolarHBondContact N-O 3.5Å; C490-I564 HydrophobicContact CB-CD1 4.31Å
491A97.6Very high89.2Confident0 Ų049.8 Ų49.80%027%0.274CS..EExtended strand (participates in β ladder)trans-137.6161.6178.500000111.7L470 V472 F505 H506 C598L470-A491 PolarHBondContact N-O 3.19Å; L470-A491 PolarHBondContact O-N 3.48Å; V472-A491 HydrophobicContact CB-CB 4.28Å; V472-A491 HydrophobicContact CG1-CB 3.61Å; V472-A491 HydrophobicContact CG2-CB 3.67Å; A491-F505 HydrophobicContact CB-CB 3.94Å; A491-H506 CarbonylContact C-O 3.6Å; A491-H506 WeakPolarHBondContact CA-O 3.49Å; A491-H506 WeakPolarHBondContact CB-O 3.42Å; A491-C598 PolarHBondContact O-SG 2.89Å
492I96.9Very high89.8Confident2 Ų247.3 Ų47.31%0.0127%0.265CS..EExtended strand (participates in β ladder)trans-103.3159.116662.7177.1000109.5L469 F505 H506 I508 T577 M599 L604L469-I492 HydrophobicContact CD2-CG2 3.53Å; I492-F505 CarbonylContact O-C 3.57Å; I492-F505 WeakPolarHBondContact O-CA 3.25Å; I492-H506 HydrophobicContact CG1-CB 4.06Å; I492-H506 PolarHBondContact N-O 3.26Å; I492-H506 PolarHBondContact O-N 3.32Å; I492-I508 HydrophobicContact CG2-CD1 4.12Å; I492-I508 HydrophobicContact CG2-CG2 4.38Å; I492-T577 HydrophobicContact CD1-CG2 3.5Å; I492-T577 VanDerWaalsContact CD1-CG2 3.5Å; I492-T577 HydrophobicContact CG1-CG2 3.86Å; I492-M599 WeakPolarHBondContact CA-O 3.43Å; I492-M599 WeakPolarHBondContact CB-O 3.32Å; I492-M599 HydrophobicContact CG2-CG 4.37Å; I492-L604 HydrophobicContact CD1-CB 4.3Å; I492-L604 HydrophobicContact CD1-CD2 3.65Å
493A96.4Very high90.3Very high0 Ų050.4 Ų50.40%028%0.283CS..EExtended strand (participates in β ladder)trans-81.8144.3172.600000111.3P502 F505 C598 M599 T600 S601A493-P502 HydrophobicContact CB-CB 3.62Å; A493-P502 HydrophobicContact CB-CG 4Å; A493-F505 HydrophobicContact CB-CD1 4.14Å; A493-F505 HydrophobicContact CB-CE1 3.82Å; A493-F505 HydrophobicContact CB-CZ 4.46Å; A493-C598 HydrophobicContact CB-CB 4.48Å; A493-M599 PolarHBondContact N-O 3.47Å; A493-T600 CarbonylContact O-C 3.6Å; A493-T600 VanDerWaalsContact O-CA 3.25Å; A493-T600 WeakPolarHBondContact O-CA 2.93Å; A493-S601 PolarHBondContact O-N 3.47Å
494E94Very high91.1Very high81 Ų8151.4 Ų51.438%0.37928%0.281SS..PPolyproline II helixtrans-70138.9158-172.3172.2177.600108.7P496 I504 H506E494-P496 WeakPolarHBondContact O-CD 3.43Å; E494-P496 VanDerWaalsContact O-N 3.09Å; E494-I504 HydrophobicContact CB-CB 4.16Å; E494-I504 HydrophobicContact CB-CG2 4.46Å; E494-I504 PolarHBondContact N-O 3.27Å; E494-I504 WeakPolarHBondContact OE2-CB 3.46Å; E494-I504 WeakPolarHBondContact OE2-CD1 3.49Å; E494-I504 WeakPolarHBondContact OE2-CG2 3.12Å; E494-H506 IonicContact OE2-NE2 3.87Å
495T89.1Confident91.6Very high62 Ų6249.3 Ų49.338%0.3827%0.271SS..  trans-61.3112.7-178-59.30000109.9D602T495-D602 WeakPolarHBondContact CB-OD2 3.16Å; T495-D602 WeakPolarHBondContact CG2-OD2 3.37Å; T495-D602 VanDerWaalsContact OG1-CG 3.25Å; T495-D602 PolarHBondContact OG1-OD2 2.99Å
496P87.3Confident92Very high40 Ų4050.6 Ų50.626%0.2628%0.277SS..PPolyproline II helixtrans-75.2160.8-178.831.2-33.4000111.1E494 E500 P502E494-P496 WeakPolarHBondContact O-CD 3.43Å; E494-P496 VanDerWaalsContact O-N 3.09Å; P496-E500 HydrophobicContact CB-CB 4.44Å; P496-E500 WeakPolarHBondContact CG-O 3.46Å; P496-P502 HydrophobicContact CG-CB 4.41Å
497P86.9Confident92.6Very high74 Ų7450.6 Ų50.648%0.48128%0.276SS..PPolyproline II helixtrans-54.3154.5164.6-22.733.4000111.9N499 E500P497-N499 PolarHBondContact O-N 3.32Å; P497-E500 PolarHBondContact O-N 3.02Å; P497-E500 VanDerWaalsContact O-N 3.11Å
498P81.7Confident92.8Very high122 Ų12247.5 Ų47.579%0.79226%0.262SS*.THydrogen-bonded Turntrans-53.2134.3177.6-2432.9000112E500P498-E500 VanDerWaalsContact C-N 3.26Å; P498-E500 PolarHBondContact O-N 2.9Å
499N81Confident92.7Very high180 Ų18047.5 Ų47.596%0.96326%0.262SS*.THydrogen-bonded Turntrans67.88.2-177.9-60.8-22.1000116.9P497P497-N499 PolarHBondContact O-N 3.32Å
500E89.6Confident92.6Very high130 Ų13052.7 Ų52.761%0.60728%0.282SS*.  trans-104155172.3-67.8-173.5-154.200112.1P496 P497 P498P496-E500 HydrophobicContact CB-CB 4.44Å; P496-E500 WeakPolarHBondContact CG-O 3.46Å; P497-E500 PolarHBondContact O-N 3.02Å; P497-E500 VanDerWaalsContact O-N 3.11Å; P498-E500 VanDerWaalsContact C-N 3.26Å; P498-E500 PolarHBondContact O-N 2.9Å
501K90.9Very high92.5Very high122 Ų12252.7 Ų52.753%0.5328%0.282SS..  trans-85146.2172.8-66.1-178.6-178.2-179.50109.3S503 W595 Y596K501-S503 PolarHBondContact O-N 3.4Å; K501-W595 HydrophobicContact CB-CH2 3.9Å; K501-W595 HydrophobicContact CB-CZ2 4.29Å; K501-W595 HydrophobicContact CD-CH2 4.28Å; K501-W595 HydrophobicContact CD-CZ2 3.8Å; K501-Y596 HydrophobicContact CD-CD1 3.92Å; K501-Y596 HydrophobicContact CD-CE1 4.5Å; K501-Y596 HydrophobicContact CD-CG 4.29Å; K501-Y596 HydrophobicContact CG-CD1 4.4Å; K501-Y596 HydrophobicContact CG-CG 4.27Å
502P92.1Very high92Very high7 Ų753.4 Ų53.45%0.04529%0.289CS..  trans-61.5130.9177.825.5-31.9000110.9A493 P496 F505 W595A493-P502 HydrophobicContact CB-CB 3.62Å; A493-P502 HydrophobicContact CB-CG 4Å; P496-P502 HydrophobicContact CG-CB 4.41Å; P502-F505 HydrophobicContact CB-CE2 4.38Å; P502-F505 HydrophobicContact CB-CZ 4Å; P502-F505 HydrophobicContact CG-CE1 4.43Å; P502-F505 HydrophobicContact CG-CZ 3.83Å; P502-W595 HydrophobicContact CG-CZ3 4.14Å; P502-W595 VanDerWaalsContact O-CZ3 3.25Å; P502-W595 WeakPolarHBondContact O-CZ3 3.25Å
503S91.1Very high91.6Very high88 Ų8855.6 Ų55.662%0.61530%0.304SS*.  trans-103.6-26.7-179.956.90000112.5K501 N542K501-S503 PolarHBondContact O-N 3.4Å; S503-N542 WeakPolarHBondContact O-CA 3.38Å; S503-N542 WeakPolarHBondContact O-CB 3.49Å
504I95.2Very high90.9Very high52 Ų5257.9 Ų57.927%0.26733%0.328SS..  trans-116.9135.1-176.1-60.3173.3000109.7E494 L544E494-I504 HydrophobicContact CB-CB 4.16Å; E494-I504 HydrophobicContact CB-CG2 4.46Å; E494-I504 PolarHBondContact N-O 3.27Å; E494-I504 WeakPolarHBondContact OE2-CB 3.46Å; E494-I504 WeakPolarHBondContact OE2-CD1 3.49Å; E494-I504 WeakPolarHBondContact OE2-CG2 3.12Å; I504-L544 HydrophobicContact CG2-CD1 3.77Å; I504-L544 HydrophobicContact CG2-CG 3.93Å
505F96.9Very high90.4Very high1 Ų154.9 Ų54.90%0.00431%0.313CS..EExtended strand (participates in β ladder)trans-126.1131-179.4-68.4-95.5000111.3L470 V472 A491 I492 A493 P502 N542 L544 P556 W595 C598L470-F505 HydrophobicContact CB-CE1 4.45Å; L470-F505 HydrophobicContact CD2-CD1 3.82Å; L470-F505 HydrophobicContact CD2-CE1 3.41Å; L470-F505 VanDerWaalsContact CD2-CE1 3.41Å; L470-F505 HydrophobicContact CD2-CZ 3.81Å; V472-F505 HydrophobicContact CG1-CB 4.37Å; A491-F505 HydrophobicContact CB-CB 3.94Å; I492-F505 CarbonylContact O-C 3.57Å; I492-F505 WeakPolarHBondContact O-CA 3.25Å; A493-F505 HydrophobicContact CB-CD1 4.14Å; A493-F505 HydrophobicContact CB-CE1 3.82Å; A493-F505 HydrophobicContact CB-CZ 4.46Å; P502-F505 HydrophobicContact CB-CE2 4.38Å; P502-F505 HydrophobicContact CB-CZ 4Å; P502-F505 HydrophobicContact CG-CE1 4.43Å; P502-F505 HydrophobicContact CG-CZ 3.83Å; F505-N542 PolarHBondContact N-O 3.45Å; F505-L544 PolarHBondContact O-N 2.79Å; F505-P556 HydrophobicContact CD2-CB 3.84Å; F505-P556 HydrophobicContact CD2-CG 3.43Å; F505-P556 VanDerWaalsContact CD2-CG 3.43Å; F505-P556 HydrophobicContact CE2-CB 3.37Å; F505-P556 HydrophobicContact CE2-CG 3.5Å; F505-P556 VanDerWaalsContact CE2-CG 3.5Å; F505-P556 HydrophobicContact CG-CG 4.21Å; F505-P556 HydrophobicContact CZ-CB 3.75Å; F505-P556 HydrophobicContact CZ-CG 4.3Å; F505-W595 HydrophobicContact CE2-CE3 4.38Å; F505-W595 AromaticContact CE2-CZ3 4Å; F505-W595 HydrophobicContact CE2-CZ3 4Å; F505-W595 AromaticContact CZ-CE3 3.79Å; F505-W595 HydrophobicContact CZ-CE3 3.79Å; F505-W595 AromaticContact CZ-CZ3 3.72Å; F505-W595 HydrophobicContact CZ-CZ3 3.72Å; F505-C598 HydrophobicContact CE1-CB 4.28Å
506H97.1Very high90.2Very high35 Ų3555.5 Ų55.516%0.16232%0.318CS..EExtended strand (participates in β ladder)trans-101.6119.2179.9-64.5170.5000110.5A491 I492 E494 I508 K576 T577A491-H506 CarbonylContact C-O 3.6Å; A491-H506 WeakPolarHBondContact CA-O 3.49Å; A491-H506 WeakPolarHBondContact CB-O 3.42Å; I492-H506 HydrophobicContact CG1-CB 4.06Å; I492-H506 PolarHBondContact N-O 3.26Å; I492-H506 PolarHBondContact O-N 3.32Å; E494-H506 IonicContact OE2-NE2 3.87Å; H506-I508 PolarHBondContact O-N 3.37Å; H506-K576 HydrophobicContact CB-CB 4.22Å; H506-K576 HydrophobicContact CB-CG 4.05Å; H506-T577 HydrophobicContact CB-CG2 3.83Å
507S97Very high89.7Confident0 Ų058.1 Ų58.10%033%0.327CS..EExtended strand (participates in β ladder)trans-56.8137.1174.862.20000111.7L544 C545 G546 Y575 K576 T577S507-L544 PolarHBondContact N-O 2.99Å; S507-L544 PolarHBondContact OG-O 2.91Å; S507-C545 WeakPolarHBondContact OG-CA 3.3Å; S507-G546 PolarHBondContact OG-N 2.83Å; S507-Y575 WeakPolarHBondContact O-CB 3.28Å; S507-K576 PolarHBondContact O-N 2.98Å; S507-K576 PolarHBondContact OG-N 3.13Å; S507-K576 VanDerWaalsContact OG-N 3.1Å; S507-T577 PolarHBondContact O-N 3.35Å; S507-T577 PolarHBondContact O-OG1 3.4Å
508I96.2Very high89.6Confident0 Ų061.8 Ų61.80%034%0.336CS..EExtended strand (participates in β ladder)trans-124.8-43.6-177.4-172177.6000113.5L469 C490 I492 H506 Y575 T577 T580 L581 L604L469-I508 HydrophobicContact CD1-CG2 3.71Å; L469-I508 HydrophobicContact CD2-CG2 4.29Å; C490-I508 HydrophobicContact CB-CG2 4.45Å; C490-I508 PolarHBondContact O-N 2.81Å; I492-I508 HydrophobicContact CG2-CD1 4.12Å; I492-I508 HydrophobicContact CG2-CG2 4.38Å; H506-I508 PolarHBondContact O-N 3.37Å; I508-Y575 WeakPolarHBondContact O-CD2 3.47Å; I508-T577 HydrophobicContact CB-CG2 4.16Å; I508-T577 HydrophobicContact CG1-CG2 4.42Å; I508-T580 WeakPolarHBondContact O-CA 3.46Å; I508-T580 VanDerWaalsContact O-CB 3.32Å; I508-T580 WeakPolarHBondContact O-CB 3.33Å; I508-T580 PolarHBondContact O-OG1 3.23Å; I508-L581 HydrophobicContact CD1-CD2 4.34Å; I508-L581 HydrophobicContact CD1-CG 4.39Å; I508-L604 HydrophobicContact CD1-CD1 3.76Å; I508-L604 HydrophobicContact CD1-CD2 3.63Å; I508-L604 HydrophobicContact CD1-CG 4.37Å; I508-L604 HydrophobicContact CG1-CD2 4.46Å
509C95.4Very high89.9Confident1 Ų159.9 Ų59.91%0.00732%0.316CS..EExtended strand (participates in β ladder)trans-155159.4-176.875.20000112.8C490 Y575 L581C490-C509 PolarHBondContact N-O 3.5Å; C509-Y575 VanDerWaalsContact CA-CE1 3.5Å; C509-L581 HydrophobicContact CB-CB 4.21Å; C509-L581 HydrophobicContact CB-CD1 4.45Å; C509-L581 HydrophobicContact CB-CG 4.24Å
510R95.6Very high90.2Very high109 Ų10951.3 Ų51.341%0.41127%0.27SS..EExtended strand (participates in β ladder)trans-104.5127.3166.7-170.9178.371.8-163.10.8109.6Y475 H487 F488 E548 Y575Y475-R510 HydrophobicContact CD2-CG 4.15Å; Y475-R510 VanDerWaalsContact CE2-CD 3.49Å; Y475-R510 HydrophobicContact CE2-CG 3.74Å; H487-R510 HydrophobicContact CB-CG 4.2Å; F488-R510 WeakPolarHBondContact O-CA 3.19Å; R510-E548 IonicContact CZ-OE1 3.48Å; R510-E548 IonicContact NH1-OE1 3.44Å; R510-E548 PolarHBondContact NH1-OE1 2.98Å; R510-Y575 PolarHBondContact N-OH 3.45Å; R510-Y575 VanDerWaalsContact N-OH 3.17Å
511V93.6Very high90Very high1 Ų151 Ų511%0.00627%0.265CS..EExtended strand (participates in β ladder)trans-124.1140-179.367.70000111.3H487 F488 I564 P584 I586H487-V511 CarbonylContact C-O 3.48Å; H487-V511 VanDerWaalsContact CA-O 3.25Å; H487-V511 WeakPolarHBondContact CA-O 3.43Å; F488-V511 HydrophobicContact CB-CG1 4.4Å; F488-V511 PolarHBondContact N-O 3.2Å; F488-V511 PolarHBondContact O-N 3Å; V511-I564 HydrophobicContact CB-CD1 4.31Å; V511-I564 HydrophobicContact CG1-CD1 4Å; V511-P584 HydrophobicContact CG2-CB 4.36Å; V511-I586 HydrophobicContact CG1-CD1 3.74Å; V511-I586 HydrophobicContact CG1-CG1 3.91Å; V511-I586 HydrophobicContact CG2-CD1 4.26Å; V511-I586 HydrophobicContact CG2-CG1 3.83Å
512G88.4Confident90Very high14 Ų1448.8 Ų48.814%0.14426%0.259CS..  trans-14720.7-176.300000114.1R481 S486 Y515R481-G512 PolarHBondContact NH1-O 2.76Å; S486-G512 WeakPolarHBondContact O-CA 3.43Å; G512-Y515 VanDerWaalsContact C-OH 3.3Å; G512-Y515 PolarHBondContact O-OH 3.48Å; G512-Y515 VanDerWaalsContact O-OH 3.1Å
513S87.1Confident90Very high48 Ų4848.8 Ų48.834%0.33626%0.258SS..  trans-147.9158.5-177.151.10000111.1P584 R585 I586S513-P584 PolarHBondContact OG-O 3.12Å; S513-R585 WeakPolarHBondContact O-CA 3.35Å; S513-I586 PolarHBondContact O-N 3.47Å
514G81.8Confident89.9Confident49 Ų4945.4 Ų45.451%0.50524%0.237SC..SBendtrans112.5-20.917400000114.6I586G514-I586 CarbonylContact C-O 3.58Å; G514-I586 WeakPolarHBondContact CA-O 3.47Å
515Y84.3Confident89.7Confident17 Ų1747.7 Ų47.77%0.06725%0.249CC..SBendtrans-93.3156.7170.649.4-107.7000112.3R481 S486 F488 G512 E519 L520 I586R481-Y515 PolarHBondContact NH1-OH 2.99Å; S486-Y515 PolarHBondContact O-OH 2.98Å; F488-Y515 HydrophobicContact CE2-CE1 4.23Å; G512-Y515 VanDerWaalsContact C-OH 3.3Å; G512-Y515 PolarHBondContact O-OH 3.48Å; G512-Y515 VanDerWaalsContact O-OH 3.1Å; Y515-E519 WeakPolarHBondContact CA-OE2 3.46Å; Y515-L520 HydrophobicContact CD1-CD1 4.5Å; Y515-L520 HydrophobicContact CD2-CB 3.67Å; Y515-L520 HydrophobicContact CD2-CD1 4.06Å; Y515-L520 HydrophobicContact CD2-CD2 4.39Å; Y515-L520 HydrophobicContact CD2-CG 4.24Å; Y515-L520 HydrophobicContact CE1-CD1 4.06Å; Y515-L520 HydrophobicContact CE2-CB 3.84Å; Y515-L520 HydrophobicContact CE2-CD1 3.63Å; Y515-L520 HydrophobicContact CE2-CD2 3.69Å; Y515-L520 HydrophobicContact CE2-CG 3.91Å; Y515-L520 HydrophobicContact CG-CB 4.42Å; Y515-L520 HydrophobicContact CG-CD1 4.5Å; Y515-I586 HydrophobicContact CD1-CB 4.37Å; Y515-I586 HydrophobicContact CD1-CD1 3.68Å; Y515-I586 HydrophobicContact CE1-CD1 3.87Å
516T84.8Confident89.5Confident76 Ų7651.8 Ų51.847%0.46627%0.267SS..  trans-74.4162.6166.165.50000111.2K518 E519 L520T516-K518 PolarHBondContact O-N 2.95Å; T516-E519 WeakPolarHBondContact CB-OE2 3.29Å; T516-E519 WeakPolarHBondContact CG2-OE2 3.42Å; T516-E519 PolarHBondContact N-OE2 3.29Å; T516-E519 PolarHBondContact O-N 3.45Å; T516-E519 WeakPolarHBondContact OG1-CB 3.4Å; T516-E519 VanDerWaalsContact OG1-CG 3.3Å; T516-E519 WeakPolarHBondContact OG1-CG 3.5Å; T516-E519 PolarHBondContact OG1-N 3.03Å; T516-E519 VanDerWaalsContact OG1-N 3.15Å; T516-E519 PolarHBondContact OG1-OE2 3.13Å; T516-L520 PolarHBondContact O-N 3.47Å
517M77.5Confident89.4Confident95 Ų9550.2 Ų50.247%0.46826%0.26SS..Hα-helixtrans-61.6-30.9175-74.1-62-65.700112.4R481 Y521R481-M517 HydrophobicContact CG-CE 4.26Å; R481-M517 HydrophobicContact CG-SD 4.06Å; M517-Y521 WeakPolarHBondContact O-CB 3.37Å; M517-Y521 PolarHBondContact O-N 3.42Å; M517-Y521 VanDerWaalsContact O-N 3.07Å
518K83.9Confident89.1Confident151 Ų15153 Ų5366%0.65728%0.283SS*.Hα-helixtrans-67.7-51.1175.9-171.8-164.9171.3-155.10110.9T516 L520 Y521 D522T516-K518 PolarHBondContact O-N 2.95Å; K518-L520 VanDerWaalsContact C-N 3.28Å; K518-L520 PolarHBondContact O-N 2.88Å; K518-Y521 WeakPolarHBondContact O-CA 3.31Å; K518-Y521 WeakPolarHBondContact O-CB 3.5Å; K518-Y521 PolarHBondContact O-N 3.3Å; K518-D522 WeakPolarHBondContact CE-OD2 3.16Å; K518-D522 VanDerWaalsContact O-CG 3.3Å; K518-D522 PolarHBondContact O-N 3.23Å
519E87.5Confident89Confident81 Ų8161.2 Ų61.238%0.37932%0.319SS..Hα-helixtrans-59.4-39.9177.3-72.9161.9154.900112Y515 T516 Y521 D522 L523 I589Y515-E519 WeakPolarHBondContact CA-OE2 3.46Å; T516-E519 WeakPolarHBondContact CB-OE2 3.29Å; T516-E519 WeakPolarHBondContact CG2-OE2 3.42Å; T516-E519 PolarHBondContact N-OE2 3.29Å; T516-E519 PolarHBondContact O-N 3.45Å; T516-E519 WeakPolarHBondContact OG1-CB 3.4Å; T516-E519 VanDerWaalsContact OG1-CG 3.3Å; T516-E519 WeakPolarHBondContact OG1-CG 3.5Å; T516-E519 PolarHBondContact OG1-N 3.03Å; T516-E519 VanDerWaalsContact OG1-N 3.15Å; T516-E519 PolarHBondContact OG1-OE2 3.13Å; E519-Y521 VanDerWaalsContact C-N 3.3Å; E519-Y521 PolarHBondContact O-N 3.17Å; E519-D522 PolarHBondContact O-N 3.22Å; E519-L523 WeakPolarHBondContact O-CB 3.43Å; E519-L523 PolarHBondContact O-N 3.09Å; E519-I589 HydrophobicContact CB-CD1 4.17Å
520L87.8Confident88.9Confident0 Ų063.4 Ų63.40%033%0.329CS..Hα-helixtrans-61.7-40.1174.4-172.261.9000112.1R481 M485 F488 Y515 T516 K518 G524R481-L520 HydrophobicContact CG-CD2 4.38Å; M485-L520 VanDerWaalsContact O-CD1 3.25Å; M485-L520 WeakPolarHBondContact O-CD1 3.35Å; F488-L520 HydrophobicContact CE2-CD1 3.77Å; F488-L520 HydrophobicContact CZ-CD1 3.9Å; Y515-L520 HydrophobicContact CD1-CD1 4.5Å; Y515-L520 HydrophobicContact CD2-CB 3.67Å; Y515-L520 HydrophobicContact CD2-CD1 4.06Å; Y515-L520 HydrophobicContact CD2-CD2 4.39Å; Y515-L520 HydrophobicContact CD2-CG 4.24Å; Y515-L520 HydrophobicContact CE1-CD1 4.06Å; Y515-L520 HydrophobicContact CE2-CB 3.84Å; Y515-L520 HydrophobicContact CE2-CD1 3.63Å; Y515-L520 HydrophobicContact CE2-CD2 3.69Å; Y515-L520 HydrophobicContact CE2-CG 3.91Å; Y515-L520 HydrophobicContact CG-CB 4.42Å; Y515-L520 HydrophobicContact CG-CD1 4.5Å; T516-L520 PolarHBondContact O-N 3.47Å; K518-L520 VanDerWaalsContact C-N 3.28Å; K518-L520 PolarHBondContact O-N 2.88Å; L520-G524 PolarHBondContact O-N 3.02Å
521Y86.9Confident88.9Confident124 Ų12460.3 Ų60.349%0.48632%0.317SS..Hα-helixtrans-67.8-48.4178-176.4-94.6000111.9M484 M517 K518 E519 L523 G524 L525M484-Y521 HydrophobicContact CE-CD2 3.5Å; M484-Y521 HydrophobicContact CE-CG 4.05Å; M484-Y521 HydrophobicContact SD-CD2 4.23Å; M517-Y521 WeakPolarHBondContact O-CB 3.37Å; M517-Y521 PolarHBondContact O-N 3.42Å; M517-Y521 VanDerWaalsContact O-N 3.07Å; K518-Y521 WeakPolarHBondContact O-CA 3.31Å; K518-Y521 WeakPolarHBondContact O-CB 3.5Å; K518-Y521 PolarHBondContact O-N 3.3Å; E519-Y521 VanDerWaalsContact C-N 3.3Å; E519-Y521 PolarHBondContact O-N 3.17Å; Y521-L523 PolarHBondContact O-N 3.12Å; Y521-G524 PolarHBondContact O-N 3.14Å; Y521-L525 HydrophobicContact CD1-CD1 3.85Å; Y521-L525 HydrophobicContact CD1-CG 4.33Å; Y521-L525 HydrophobicContact CE1-CD1 3.28Å; Y521-L525 HydrophobicContact CE1-CG 3.97Å; Y521-L525 WeakPolarHBondContact O-CG 3.35Å; Y521-L525 PolarHBondContact O-N 2.83Å
522D90.3Very high88.9Confident76 Ų7664.3 Ų64.341%0.40633%0.334SS..Hα-helixtrans-62.2-45179.1-64.6-17000110.6K518 E519 L525 K526K518-D522 WeakPolarHBondContact CE-OD2 3.16Å; K518-D522 VanDerWaalsContact O-CG 3.3Å; K518-D522 PolarHBondContact O-N 3.23Å; E519-D522 PolarHBondContact O-N 3.22Å; D522-L525 PolarHBondContact O-N 3.23Å; D522-K526 WeakPolarHBondContact O-CB 3.42Å; D522-K526 PolarHBondContact O-N 2.94Å
523L91Very high89.1Confident6 Ų667.6 Ų67.63%0.03135%0.353CS..Hα-helixtrans-63.1-42.8173.8-176.263.8000111.6I471 F488 E519 Y521 L525 K526 L527 V560 I589I471-L523 HydrophobicContact CD1-CD2 4.04Å; F488-L523 HydrophobicContact CE2-CD2 3.82Å; F488-L523 HydrophobicContact CZ-CD2 3.82Å; F488-L523 HydrophobicContact CZ-CG 4.46Å; E519-L523 WeakPolarHBondContact O-CB 3.43Å; E519-L523 PolarHBondContact O-N 3.09Å; Y521-L523 PolarHBondContact O-N 3.12Å; L523-L525 PolarHBondContact O-N 2.84Å; L523-K526 PolarHBondContact O-N 3.14Å; L523-L527 HydrophobicContact CD1-CD1 3.82Å; L523-L527 HydrophobicContact CD1-CG 4.03Å; L523-L527 HydrophobicContact CG-CD1 3.94Å; L523-L527 HydrophobicContact CG-CG 4.38Å; L523-L527 WeakPolarHBondContact O-CG 3.14Å; L523-L527 PolarHBondContact O-N 3.01Å; L523-V560 HydrophobicContact CD1-CB 4.36Å; L523-V560 HydrophobicContact CD1-CG1 4.42Å; L523-V560 HydrophobicContact CD1-CG2 4.38Å; L523-I589 HydrophobicContact CB-CD1 4.16Å; L523-I589 HydrophobicContact CD1-CG2 4.37Å; L523-I589 HydrophobicContact CD2-CD1 4.13Å
524G90.4Very high89.3Confident17 Ų1766.4 Ų66.418%0.17534%0.341CS..Hα-helixtrans-58.2-45.3176.700000112.3L520 Y521 A528L520-G524 PolarHBondContact O-N 3.02Å; Y521-G524 PolarHBondContact O-N 3.14Å; G524-A528 WeakPolarHBondContact O-CA 3.45Å; G524-A528 VanDerWaalsContact O-CB 3.3Å; G524-A528 WeakPolarHBondContact O-CB 2.91Å; G524-A528 PolarHBondContact O-N 3.28Å
525L90.9Very high89.7Confident100 Ų10069.4 Ų69.452%0.52434%0.342SS..Hα-helixtrans-64.3-42.9175.8-73.8179.5000112.2Y521 D522 L523 L527 A528Y521-L525 HydrophobicContact CD1-CD1 3.85Å; Y521-L525 HydrophobicContact CD1-CG 4.33Å; Y521-L525 HydrophobicContact CE1-CD1 3.28Å; Y521-L525 HydrophobicContact CE1-CG 3.97Å; Y521-L525 WeakPolarHBondContact O-CG 3.35Å; Y521-L525 PolarHBondContact O-N 2.83Å; D522-L525 PolarHBondContact O-N 3.23Å; L523-L525 PolarHBondContact O-N 2.84Å; L525-L527 PolarHBondContact O-N 2.85Å; L525-A528 PolarHBondContact O-N 2.95Å
526K92.7Very high89.9Confident88 Ų8878.5 Ų78.538%0.38338%0.376SS..Hα-helixtrans-59.9-45.6177.9-174.1177.7-175.9176.60111.7D522 L523 V560 E591D522-K526 WeakPolarHBondContact O-CB 3.42Å; D522-K526 PolarHBondContact O-N 2.94Å; L523-K526 PolarHBondContact O-N 3.14Å; K526-V560 HydrophobicContact CD-CG2 4.11Å; K526-E591 IonicContact NZ-OE1 2.9Å; K526-E591 PolarHBondContact NZ-OE1 3.25Å
527L94.1Very high90.1Very high1 Ų185 Ų851%0.00540%0.398CS..Hα-helixtrans-85.5-15.7-176.1-58.3-177000113.7I471 F488 L523 L525 K529 H530 W531 I554 V560I471-L527 HydrophobicContact CD1-CD1 4.33Å; I471-L527 HydrophobicContact CG2-CD1 4.47Å; F488-L527 HydrophobicContact CE1-CD1 4.47Å; L523-L527 HydrophobicContact CD1-CD1 3.82Å; L523-L527 HydrophobicContact CD1-CG 4.03Å; L523-L527 HydrophobicContact CG-CD1 3.94Å; L523-L527 HydrophobicContact CG-CG 4.38Å; L523-L527 WeakPolarHBondContact O-CG 3.14Å; L523-L527 PolarHBondContact O-N 3.01Å; L525-L527 PolarHBondContact O-N 2.85Å; L527-K529 VanDerWaalsContact C-N 3.29Å; L527-K529 PolarHBondContact O-N 3.35Å; L527-K529 VanDerWaalsContact O-N 3.13Å; L527-H530 PolarHBondContact O-N 3.2Å; L527-W531 HydrophobicContact CB-CZ2 3.84Å; L527-W531 HydrophobicContact CD1-CH2 4.29Å; L527-W531 HydrophobicContact CD1-CZ2 3.73Å; L527-W531 HydrophobicContact CG-CZ2 4.44Å; L527-W531 VanDerWaalsContact O-CD1 3.29Å; L527-W531 PolarHBondContact O-NE1 3.12Å; L527-I554 HydrophobicContact CB-CD1 4.44Å; L527-I554 HydrophobicContact CD2-CD1 3.8Å; L527-V560 HydrophobicContact CD2-CG2 3.92Å
528A91Very high90.6Very high59 Ų5986.5 Ų86.549%0.48841%0.408SS..G310 helixtrans-49.9-43.9-171.600000114.1G524 L525 H530G524-A528 WeakPolarHBondContact O-CA 3.45Å; G524-A528 VanDerWaalsContact O-CB 3.3Å; G524-A528 WeakPolarHBondContact O-CB 2.91Å; G524-A528 PolarHBondContact O-N 3.28Å; L525-A528 PolarHBondContact O-N 2.95Å; A528-H530 VanDerWaalsContact C-N 3.26Å; A528-H530 PolarHBondContact O-N 2.89Å
529K93.3Very high90.9Very high172 Ų17282.4 Ų82.475%0.74840%0.397SS*.G310 helixtrans-75.1-10.3-176.168.7-172.7-177.4-176.70114.5L527L527-K529 VanDerWaalsContact C-N 3.29Å; L527-K529 PolarHBondContact O-N 3.35Å; L527-K529 VanDerWaalsContact O-N 3.13Å
530H95.1Very high91.1Very high48 Ų4879.3 Ų79.322%0.22238%0.384CS..G310 helixtrans-109.7-7.7-172.3-61.4-68.5000113.8L527 A528 K532 I554 N558L527-H530 PolarHBondContact O-N 3.2Å; A528-H530 VanDerWaalsContact C-N 3.26Å; A528-H530 PolarHBondContact O-N 2.89Å; H530-K532 PolarHBondContact O-N 3.33Å; H530-I554 HydrophobicContact CB-CD1 3.5Å; H530-I554 VanDerWaalsContact CB-CD1 3.5Å; H530-I554 HydrophobicContact CB-CG1 3.77Å; H530-N558 HydrophobicContact CB-CB 4.05Å; H530-N558 PolarHBondContact CE1-OD1 2.8Å
531W94.8Very high91.2Very high43 Ų4384.7 Ų84.716%0.16342%0.42CS..EExtended strand (participates in β ladder)trans-68.7129.9178.2-67.5120.1000111.9I471 M485 F488 L527 V552 I554I471-W531 HydrophobicContact CG2-CH2 3.94Å; M485-W531 HydrophobicContact CG-CZ2 3.97Å; F488-W531 HydrophobicContact CD1-CH2 4.29Å; F488-W531 HydrophobicContact CD1-CZ2 4.36Å; F488-W531 HydrophobicContact CE1-CH2 4.48Å; F488-W531 HydrophobicContact CE1-CZ2 4.1Å; L527-W531 HydrophobicContact CB-CZ2 3.84Å; L527-W531 HydrophobicContact CD1-CH2 4.29Å; L527-W531 HydrophobicContact CD1-CZ2 3.73Å; L527-W531 HydrophobicContact CG-CZ2 4.44Å; L527-W531 VanDerWaalsContact O-CD1 3.29Å; L527-W531 PolarHBondContact O-NE1 3.12Å; W531-V552 HydrophobicContact CB-CB 4.23Å; W531-V552 HydrophobicContact CB-CG2 4.29Å; W531-V552 HydrophobicContact CD2-CB 4.43Å; W531-V552 HydrophobicContact CD2-CG2 3.74Å; W531-V552 HydrophobicContact CE3-CB 4.03Å; W531-V552 HydrophobicContact CE3-CG2 3.5Å; W531-V552 VanDerWaalsContact CE3-CG2 3.5Å; W531-V552 HydrophobicContact CG-CG2 4.09Å; W531-V552 HydrophobicContact CZ3-CG2 4.13Å; W531-I554 HydrophobicContact CE3-CB 3.85Å; W531-I554 HydrophobicContact CE3-CG2 4.37Å; W531-I554 HydrophobicContact CH2-CB 4.35Å; W531-I554 HydrophobicContact CH2-CG2 4.07Å; W531-I554 HydrophobicContact CZ3-CB 3.66Å; W531-I554 HydrophobicContact CZ3-CG2 3.66Å
532K93.6Very high91.4Very high85 Ų8580.1 Ų80.137%0.3740%0.404SS..EExtended strand (participates in β ladder)trans-117.8142.3172.8-64.5178.4-175.2177.80109.8H530 Y534 V552 Y553 E555H530-K532 PolarHBondContact O-N 3.33Å; K532-Y534 PolarHBondContact O-N 3.42Å; K532-V552 CarbonylContact O-C 3.51Å; K532-V552 VanDerWaalsContact O-CA 3.24Å; K532-V552 WeakPolarHBondContact O-CA 3.23Å; K532-V552 WeakPolarHBondContact O-CB 3.38Å; K532-Y553 HydrophobicContact CB-CD1 3.88Å; K532-Y553 HydrophobicContact CB-CE1 3.42Å; K532-Y553 VanDerWaalsContact CB-CE1 3.42Å; K532-Y553 HydrophobicContact CB-CE2 4.33Å; K532-Y553 HydrophobicContact CD-CE1 4.26Å; K532-Y553 HydrophobicContact CD-CE2 4.04Å; K532-Y553 VanDerWaalsContact CD-OH 3.29Å; K532-Y553 WeakPolarHBondContact CD-OH 3.44Å; K532-Y553 HydrophobicContact CG-CE1 4.5Å; K532-Y553 PolarHBondContact N-O 2.96Å; K532-Y553 WeakPolarHBondContact O-CD1 3.38Å; K532-Y553 PolarHBondContact O-N 3.34Å; K532-E555 IonicContact NZ-OE1 3.62Å; K532-E555 PolarHBondContact NZ-OE1 3.5Å
533P92.4Very high91.6Very high83 Ų8376.6 Ų76.654%0.53939%0.386SS..EExtended strand (participates in β ladder)trans-58.5134.7175-23.734.3000111.9Y553P533-Y553 WeakPolarHBondContact O-CE1 3.27Å
534Y91.9Very high91.8Very high23 Ų2379.2 Ų79.29%0.0940%0.399CS..PPolyproline II helixtrans-87.6118.3175.9-173.5-89.4000110.8K532 R536 P539 P540 K549 P550 E551 Y553K532-Y534 PolarHBondContact O-N 3.42Å; Y534-R536 HydrophobicContact CE1-CG 4.43Å; Y534-P539 HydrophobicContact CE2-CB 4.38Å; Y534-P540 HydrophobicContact CD2-CG 4.31Å; Y534-P540 HydrophobicContact CE2-CG 4.04Å; Y534-K549 HydrophobicContact CD1-CB 4.22Å; Y534-K549 HydrophobicContact CE1-CB 3.82Å; Y534-K549 HydrophobicContact CE1-CD 3.99Å; Y534-K549 HydrophobicContact CE1-CG 4.08Å; Y534-P550 WeakPolarHBondContact CB-O 3.42Å; Y534-P550 HydrophobicContact CD2-CG 3.83Å; Y534-P550 HydrophobicContact CE2-CG 4.29Å; Y534-P550 HydrophobicContact CG-CG 3.99Å; Y534-E551 PolarHBondContact N-O 3.38Å; Y534-Y553 HydrophobicContact CD2-CD1 4.22Å; Y534-Y553 HydrophobicContact CD2-CG 4.41Å
535H89.7Confident92Very high112 Ų11279.2 Ų79.252%0.51940%0.396SS..BIsolated β-bridgetrans-102.2119.6177.7-64.5-63.7000111K537 D538H535-K537 VanDerWaalsContact C-N 3.26Å; H535-K537 PolarHBondContact O-N 3.49Å; H535-D538 HydrophobicContact CB-CB 4.34Å; H535-D538 CarbonylContact O-C 3.51Å; H535-D538 PolarHBondContact O-N 2.94Å; H535-D538 VanDerWaalsContact O-N 3.15Å; H535-D538 VanDerWaalsContact O-O 3.11Å
536R87.7Confident92Very high208 Ų20875.3 Ų75.379%0.78538%0.38SS*.THydrogen-bonded Turntrans-63.2-30-178-66.1-176-178.3-171.5-2.2114.2Y534Y534-R536 HydrophobicContact CE1-CG 4.43Å
537K88.6Confident92Very high214 Ų21476.3 Ų76.393%0.9339%0.394SS*.THydrogen-bonded Turntrans-84.2-16.8179.8-66.2-173.9177.8-176.10112.8H535H535-K537 VanDerWaalsContact C-N 3.26Å; H535-K537 PolarHBondContact O-N 3.49Å
538D88.9Confident91.9Very high125 Ų12577.9 Ų77.967%0.66840%0.401SS*.BIsolated β-bridgetrans-141.270.6-177.2-174.530.5000108.6H535H535-D538 HydrophobicContact CB-CB 4.34Å; H535-D538 CarbonylContact O-C 3.51Å; H535-D538 PolarHBondContact O-N 2.94Å; H535-D538 VanDerWaalsContact O-N 3.15Å; H535-D538 VanDerWaalsContact O-O 3.11Å
539P90.1Very high92Very high66 Ų6678.2 Ų78.243%0.42939%0.391SS..  trans-75.5149.8-177.932-34.7000111Y534 C541Y534-P539 HydrophobicContact CE2-CB 4.38Å; P539-C541 PolarHBondContact O-N 3.35Å
540P91.6Very high92Very high15 Ų1570.4 Ų70.410%0.09736%0.358CS..  trans-60.5133.817427.7-36.5000111.2Y534 N542 I543 Y553Y534-P540 HydrophobicContact CD2-CG 4.31Å; Y534-P540 HydrophobicContact CE2-CG 4.04Å; P540-N542 VanDerWaalsContact C-N 3.27Å; P540-N542 WeakPolarHBondContact CB-OD1 3.32Å; P540-N542 PolarHBondContact O-N 3Å; P540-I543 HydrophobicContact CG-CB 4.1Å; P540-I543 HydrophobicContact CG-CD1 4.17Å; P540-I543 PolarHBondContact O-N 2.94Å; P540-Y553 HydrophobicContact CB-CD2 3.97Å; P540-Y553 HydrophobicContact CB-CE2 3.63Å; P540-Y553 HydrophobicContact CG-CD1 4.36Å; P540-Y553 HydrophobicContact CG-CD2 3.79Å; P540-Y553 HydrophobicContact CG-CE1 4.5Å; P540-Y553 HydrophobicContact CG-CE2 3.95Å; P540-Y553 HydrophobicContact CG-CG 4Å
541C89.4Confident91.9Very high114 Ų11470.6 Ų70.677%0.7736%0.359SS*.THydrogen-bonded Turntrans-66.8-26.8-175.357.70000113.8P539P539-C541 PolarHBondContact O-N 3.35Å
542N91.8Very high91.9Very high28 Ų2869.3 Ų69.315%0.1536%0.356CS..THydrogen-bonded Turntrans-86.2-7.9-178.556.8-2.9000114.3S503 F505 P540 E555 P556S503-N542 WeakPolarHBondContact O-CA 3.38Å; S503-N542 WeakPolarHBondContact O-CB 3.49Å; F505-N542 PolarHBondContact N-O 3.45Å; P540-N542 VanDerWaalsContact C-N 3.27Å; P540-N542 WeakPolarHBondContact CB-OD1 3.32Å; P540-N542 PolarHBondContact O-N 3Å; N542-E555 PolarHBondContact ND2-OE2 2.93Å; N542-P556 WeakPolarHBondContact ND2-CD 3.45Å
543I95.3Very high92Very high2 Ų267 Ų671%0.0135%0.345CS..EExtended strand (participates in β ladder)trans-127101.4-178.3-56.6159.2000109.7V472 P540 C545 Y553 I554 P556V472-I543 HydrophobicContact CB-CD1 4.05Å; V472-I543 HydrophobicContact CB-CG1 4.18Å; V472-I543 HydrophobicContact CB-CG2 3.9Å; V472-I543 HydrophobicContact CG1-CG1 4.31Å; V472-I543 HydrophobicContact CG1-CG2 4.48Å; V472-I543 HydrophobicContact CG2-CG2 3.87Å; P540-I543 HydrophobicContact CG-CB 4.1Å; P540-I543 HydrophobicContact CG-CD1 4.17Å; P540-I543 PolarHBondContact O-N 2.94Å; I543-C545 PolarHBondContact O-N 2.9Å; I543-Y553 HydrophobicContact CD1-CD2 3.82Å; I543-Y553 HydrophobicContact CD1-CG 4.5Å; I543-I554 WeakPolarHBondContact CD1-O 3.48Å; I543-P556 HydrophobicContact CG1-CG 4.38Å
544L95.1Very high92.2Very high61 Ų6163 Ų6332%0.31932%0.32SS..EExtended strand (participates in β ladder)trans-88.7114.4178.6-55.2-171.8000110I504 F505 S507 K576I504-L544 HydrophobicContact CG2-CD1 3.77Å; I504-L544 HydrophobicContact CG2-CG 3.93Å; F505-L544 PolarHBondContact O-N 2.79Å; S507-L544 PolarHBondContact N-O 2.99Å; S507-L544 PolarHBondContact OG-O 2.91Å; L544-K576 HydrophobicContact CB-CD 4.26Å; L544-K576 HydrophobicContact CB-CG 3.79Å; L544-K576 WeakPolarHBondContact O-CB 3.07Å
545C93.8Very high92.4Very high16 Ų1663.7 Ų63.711%0.10832%0.324CS..  trans-105.7142.7-179.8-62.60000111.4S507 I543 K549S507-C545 WeakPolarHBondContact OG-CA 3.3Å; I543-C545 PolarHBondContact O-N 2.9Å; C545-K549 HydrophobicContact CB-CD 3.64Å; C545-K549 PolarHBondContact O-NZ 3.18Å
546G91.5Very high92.6Very high18 Ų1858.5 Ų58.519%0.18630%0.3CS..  trans-74-141.6167.900000112.5S507 K549 M574S507-G546 PolarHBondContact OG-N 2.83Å; G546-K549 WeakPolarHBondContact O-CE 3.42Å; G546-K549 PolarHBondContact O-NZ 3.26Å; G546-M574 CarbonylContact C-O 3.58Å; G546-M574 WeakPolarHBondContact CA-O 2.96Å
547T92Very high92.9Very high110 Ų11052 Ų5268%0.67529%0.285SS*.SBendtrans-65.9-36.8174.9-54.80000112.7K549 D573 M574T547-K549 PolarHBondContact O-N 3.49Å; T547-D573 PolarHBondContact OG1-O 2.83Å; T547-M574 PolarHBondContact N-O 3.22Å
548E92.4Very high93.2Very high34 Ų3445.1 Ų45.116%0.15926%0.259CS..  trans-74.4124.8177.8-175.671.2-17900110.1Y475 R510 M574 Y575Y475-E548 WeakPolarHBondContact OH-CG 3.25Å; Y475-E548 PolarHBondContact OH-OE1 3.44Å; R510-E548 IonicContact CZ-OE1 3.48Å; R510-E548 IonicContact NH1-OE1 3.44Å; R510-E548 PolarHBondContact NH1-OE1 2.98Å; E548-M574 HydrophobicContact CB-CE 3.95Å; E548-M574 HydrophobicContact CG-CE 4.27Å; E548-M574 PolarHBondContact N-O 3.15Å; E548-M574 WeakPolarHBondContact OE2-CE 2.91Å; E548-Y575 HydrophobicContact CB-CE1 4.19Å; E548-Y575 HydrophobicContact CG-CE1 4.24Å
549K92.7Very high93.5Very high65 Ų6539.9 Ų39.928%0.28323%0.232SC..  trans-122.9137.4-179-54.1-55.7-168.8-176.20110.2Y475 Y534 C545 G546 T547Y475-K549 WeakPolarHBondContact CE1-O 3.15Å; Y475-K549 PolarHBondContact OH-O 3.3Å; Y534-K549 HydrophobicContact CD1-CB 4.22Å; Y534-K549 HydrophobicContact CE1-CB 3.82Å; Y534-K549 HydrophobicContact CE1-CD 3.99Å; Y534-K549 HydrophobicContact CE1-CG 4.08Å; C545-K549 HydrophobicContact CB-CD 3.64Å; C545-K549 PolarHBondContact O-NZ 3.18Å; G546-K549 WeakPolarHBondContact O-CE 3.42Å; G546-K549 PolarHBondContact O-NZ 3.26Å; T547-K549 PolarHBondContact O-N 3.49Å
550P94.4Very high93.8Very high8 Ų837.2 Ų37.25%0.05221%0.214CC..  trans-75.4164.6178.535.4-35000111.6Y475 L489 Y534 V552Y475-P550 HydrophobicContact CE2-CB 4.47Å; L489-P550 HydrophobicContact CB-CB 4.35Å; L489-P550 HydrophobicContact CD2-CB 4.1Å; L489-P550 HydrophobicContact CD2-CG 3.88Å; Y534-P550 WeakPolarHBondContact CB-O 3.42Å; Y534-P550 HydrophobicContact CD2-CG 3.83Å; Y534-P550 HydrophobicContact CE2-CG 4.29Å; Y534-P550 HydrophobicContact CG-CG 3.99Å; P550-V552 WeakPolarHBondContact CB-O 3.45Å
551E92Very high94.1Very high52 Ų5236.5 Ų36.524%0.24321%0.21CC..SBendtrans-80-36.9172.9-66.8179.315700110.8R118 G474 Y475 W476 Y534R118-E551 IonicContact CZ-OE1 2.77Å; R118-E551 IonicContact NE-OE1 3.06Å; R118-E551 PolarHBondContact NE-OE1 3.48Å; R118-E551 IonicContact NH2-OE1 2.59Å; R118-E551 PolarHBondContact NH2-OE1 3.13Å; G474-E551 PolarHBondContact O-N 2.99Å; G474-E551 VanDerWaalsContact O-N 3.12Å; Y475-E551 HydrophobicContact CD1-CG 4.14Å; W476-E551 WeakPolarHBondContact CB-OE2 3.29Å; W476-E551 PolarHBondContact N-OE2 3.08Å; Y534-E551 PolarHBondContact N-O 3.38Å
552V94.2Very high94.5Very high16 Ų1631.1 Ų31.110%0.09717%0.173CC..EExtended strand (participates in β ladder)trans-133.1149.5174.1-67.20000109.7G473 G474 M485 W531 K532 P550G473-V552 CarbonylContact C-O 3.51Å; G473-V552 WeakPolarHBondContact CA-O 3.21Å; G474-V552 PolarHBondContact N-O 3.04Å; G474-V552 PolarHBondContact O-N 3.41Å; M485-V552 HydrophobicContact SD-CG2 3.97Å; W531-V552 HydrophobicContact CB-CB 4.23Å; W531-V552 HydrophobicContact CB-CG2 4.29Å; W531-V552 HydrophobicContact CD2-CB 4.43Å; W531-V552 HydrophobicContact CD2-CG2 3.74Å; W531-V552 HydrophobicContact CE3-CB 4.03Å; W531-V552 HydrophobicContact CE3-CG2 3.5Å; W531-V552 VanDerWaalsContact CE3-CG2 3.5Å; W531-V552 HydrophobicContact CG-CG2 4.09Å; W531-V552 HydrophobicContact CZ3-CG2 4.13Å; K532-V552 CarbonylContact O-C 3.51Å; K532-V552 VanDerWaalsContact O-CA 3.24Å; K532-V552 WeakPolarHBondContact O-CA 3.23Å; K532-V552 WeakPolarHBondContact O-CB 3.38Å; P550-V552 WeakPolarHBondContact CB-O 3.45Å
553Y96.7Very high94.7Very high36 Ų3630.5 Ų30.514%0.14117%0.169CC..EExtended strand (participates in β ladder)trans-117.4162173.880.1-82.4000111.2V472 K532 P533 Y534 P540 I543 E555V472-Y553 WeakPolarHBondContact O-CA 3.39Å; K532-Y553 HydrophobicContact CB-CD1 3.88Å; K532-Y553 HydrophobicContact CB-CE1 3.42Å; K532-Y553 VanDerWaalsContact CB-CE1 3.42Å; K532-Y553 HydrophobicContact CB-CE2 4.33Å; K532-Y553 HydrophobicContact CD-CE1 4.26Å; K532-Y553 HydrophobicContact CD-CE2 4.04Å; K532-Y553 VanDerWaalsContact CD-OH 3.29Å; K532-Y553 WeakPolarHBondContact CD-OH 3.44Å; K532-Y553 HydrophobicContact CG-CE1 4.5Å; K532-Y553 PolarHBondContact N-O 2.96Å; K532-Y553 WeakPolarHBondContact O-CD1 3.38Å; K532-Y553 PolarHBondContact O-N 3.34Å; P533-Y553 WeakPolarHBondContact O-CE1 3.27Å; Y534-Y553 HydrophobicContact CD2-CD1 4.22Å; Y534-Y553 HydrophobicContact CD2-CG 4.41Å; P540-Y553 HydrophobicContact CB-CD2 3.97Å; P540-Y553 HydrophobicContact CB-CE2 3.63Å; P540-Y553 HydrophobicContact CG-CD1 4.36Å; P540-Y553 HydrophobicContact CG-CD2 3.79Å; P540-Y553 HydrophobicContact CG-CE1 4.5Å; P540-Y553 HydrophobicContact CG-CE2 3.95Å; P540-Y553 HydrophobicContact CG-CG 4Å; I543-Y553 HydrophobicContact CD1-CD2 3.82Å; I543-Y553 HydrophobicContact CD1-CG 4.5Å; Y553-E555 WeakPolarHBondContact CE2-OE1 3.47Å
554I96.5Very high94.6Very high0 Ų030.4 Ų30.40%017%0.169CC..EExtended strand (participates in β ladder)trans-129.3137.6175.6-174.8167.2000108.7I471 V472 L527 H530 W531 I543 N558I471-I554 HydrophobicContact CG2-CG2 4.42Å; V472-I554 PolarHBondContact O-N 3.12Å; V472-I554 VanDerWaalsContact O-N 3.1Å; L527-I554 HydrophobicContact CB-CD1 4.44Å; L527-I554 HydrophobicContact CD2-CD1 3.8Å; H530-I554 HydrophobicContact CB-CD1 3.5Å; H530-I554 VanDerWaalsContact CB-CD1 3.5Å; H530-I554 HydrophobicContact CB-CG1 3.77Å; W531-I554 HydrophobicContact CE3-CB 3.85Å; W531-I554 HydrophobicContact CE3-CG2 4.37Å; W531-I554 HydrophobicContact CH2-CB 4.35Å; W531-I554 HydrophobicContact CH2-CG2 4.07Å; W531-I554 HydrophobicContact CZ3-CB 3.66Å; W531-I554 HydrophobicContact CZ3-CG2 3.66Å; I543-I554 WeakPolarHBondContact CD1-O 3.48Å; I554-N558 HydrophobicContact CD1-CB 4.33Å; I554-N558 WeakPolarHBondContact CD1-O 3.44Å; I554-N558 HydrophobicContact CG1-CB 4.27Å
555E95.4Very high94.4Very high37 Ų3729.1 Ų29.117%0.17316%0.161CC..  trans-60.5131.1172.8-61.1-62.6164.100109.4K532 N542 Y553 C557 N558K532-E555 IonicContact NZ-OE1 3.62Å; K532-E555 PolarHBondContact NZ-OE1 3.5Å; N542-E555 PolarHBondContact ND2-OE2 2.93Å; Y553-E555 WeakPolarHBondContact CE2-OE1 3.47Å; E555-C557 PolarHBondContact O-N 2.96Å; E555-N558 PolarHBondContact O-N 3.36Å
556P94.9Very high94.2Very high4 Ų428.4 Ų28.43%0.02616%0.156CC..G310 helixtrans-48.9-39.8-176.4-32.437.7000114.2L470 F505 N542 I543 N558 S559 W595L470-P556 HydrophobicContact CD2-CB 3.66Å; L470-P556 HydrophobicContact CD2-CG 4.5Å; F505-P556 HydrophobicContact CD2-CB 3.84Å; F505-P556 HydrophobicContact CD2-CG 3.43Å; F505-P556 VanDerWaalsContact CD2-CG 3.43Å; F505-P556 HydrophobicContact CE2-CB 3.37Å; F505-P556 HydrophobicContact CE2-CG 3.5Å; F505-P556 VanDerWaalsContact CE2-CG 3.5Å; F505-P556 HydrophobicContact CG-CG 4.21Å; F505-P556 HydrophobicContact CZ-CB 3.75Å; F505-P556 HydrophobicContact CZ-CG 4.3Å; N542-P556 WeakPolarHBondContact ND2-CD 3.45Å; I543-P556 HydrophobicContact CG1-CG 4.38Å; P556-N558 PolarHBondContact O-N 3.48Å; P556-S559 WeakPolarHBondContact O-CB 3.17Å; P556-S559 PolarHBondContact O-N 3.26Å; P556-W595 HydrophobicContact CB-CE3 3.96Å; P556-W595 HydrophobicContact CB-CZ3 4.19Å; P556-W595 VanDerWaalsContact O-CB 3.26Å; P556-W595 WeakPolarHBondContact O-CB 3.42Å
557C93.6Very high94Very high70 Ų7028.5 Ų28.547%0.47316%0.155SC..G310 helixtrans-64.9-18.7-179.360.80000115.5E555 W595E555-C557 PolarHBondContact O-N 2.96Å; C557-W595 HydrophobicContact CB-CD2 4.34Å; C557-W595 HydrophobicContact CB-CZ2 4.01Å
558N95Very high93.8Very high71 Ų7123.7 Ų23.738%0.3813%0.125SC..G310 helixtrans-104.23.7176.5-64-60.9000112.5H530 I554 E555 P556H530-N558 HydrophobicContact CB-CB 4.05Å; H530-N558 PolarHBondContact CE1-OD1 2.8Å; I554-N558 HydrophobicContact CD1-CB 4.33Å; I554-N558 WeakPolarHBondContact CD1-O 3.44Å; I554-N558 HydrophobicContact CG1-CB 4.27Å; E555-N558 PolarHBondContact O-N 3.36Å; P556-N558 PolarHBondContact O-N 3.48Å
559S96.1Very high93.8Very high14 Ų1422.6 Ų22.610%0.09812%0.12CC..  trans-95.4-178.2-173.3-159.20000112.6I471 P556I471-S559 VanDerWaalsContact O-CB 3.23Å; I471-S559 WeakPolarHBondContact O-CB 3.38Å; I471-S559 PolarHBondContact O-OG 3.33Å; P556-S559 WeakPolarHBondContact O-CB 3.17Å; P556-S559 PolarHBondContact O-N 3.26Å
560V96.3Very high93.6Very high10 Ų1020.7 Ų20.76%0.06111%0.114CC..  trans-130.6139.8-174.2177.30000109.3I471 L523 K526 L527 I589I471-V560 PolarHBondContact N-O 3.16Å; I471-V560 VanDerWaalsContact N-O 3.15Å; L523-V560 HydrophobicContact CD1-CB 4.36Å; L523-V560 HydrophobicContact CD1-CG1 4.42Å; L523-V560 HydrophobicContact CD1-CG2 4.38Å; K526-V560 HydrophobicContact CD-CG2 4.11Å; L527-V560 HydrophobicContact CD2-CG2 3.92Å; V560-I589 HydrophobicContact CG1-CG2 3.53Å
561I97.8Very high93.3Very high1 Ų124.7 Ų24.71%0.00514%0.135CC..EExtended strand (participates in β ladder)trans-80137.2172.4-67.5179.2000109.5D468 L469 L470 R590 K593 E594 E597 C598D468-I561 HydrophobicContact CB-CG2 3.81Å; L469-I561 WeakPolarHBondContact O-CA 3.07Å; L470-I561 HydrophobicContact CD1-CG1 3.77Å; I561-R590 HydrophobicContact CB-CB 4.14Å; I561-R590 HydrophobicContact CG2-CB 3.93Å; I561-R590 HydrophobicContact CG2-CG 4.16Å; I561-R590 PolarHBondContact O-N 2.73Å; I561-K593 HydrophobicContact CD1-CB 4.04Å; I561-E594 WeakPolarHBondContact CD1-O 3.39Å; I561-E597 HydrophobicContact CD1-CB 4.32Å; I561-C598 HydrophobicContact CD1-CB 4.21Å
562V96.7Very high93.1Very high0 Ų023 Ų230%013%0.129CC..EExtended strand (participates in β ladder)trans-118.8132.5172.1-70.40000109.4L469 I471 I564 I586L469-V562 PolarHBondContact N-O 2.76Å; L469-V562 WeakPolarHBondContact O-CG2 3.47Å; L469-V562 PolarHBondContact O-N 2.99Å; I471-V562 HydrophobicContact CD1-CG1 3.76Å; I471-V562 HydrophobicContact CG1-CG1 4.15Å; I471-V562 HydrophobicContact CG1-CG2 4.09Å; V562-I564 HydrophobicContact CG2-CD1 3.9Å; V562-I564 HydrophobicContact CG2-CG1 4.03Å; V562-I564 PolarHBondContact O-N 3.44Å; V562-I586 HydrophobicContact CB-CD1 4.42Å; V562-I586 HydrophobicContact CB-CG1 4.15Å; V562-I586 HydrophobicContact CB-CG2 4.22Å; V562-I586 HydrophobicContact CG1-CD1 4.22Å; V562-I586 HydrophobicContact CG1-CG1 4.44Å; V562-I586 HydrophobicContact CG1-CG2 4.3Å; V562-I586 HydrophobicContact CG2-CG1 4.33Å
563Q95.5Very high92.8Very high15 Ų1527.5 Ų27.57%0.0715%0.152CC..EExtended strand (participates in β ladder)trans-80.5117.2172.6-173.1173.719.200107.8E466 I586 E587 K588 R590E466-Q563 HydrophobicContact CB-CG 4.05Å; E466-Q563 PolarHBondContact OE2-NE2 3.15Å; Q563-I586 CarbonylContact O-C 3.5Å; Q563-E587 PolarHBondContact O-N 3.3Å; Q563-K588 HydrophobicContact CB-CB 4.3Å; Q563-K588 PolarHBondContact N-O 3.23Å; Q563-R590 HydrophobicContact CB-CG 3.85Å
564I93.9Very high92.5Very high0 Ų029 Ų290%016%0.162CC..EExtended strand (participates in β ladder)trans-109.9129.3-175.8-68.6-178.5000109.7L467 L469 C490 V511 V562 L581 P584 R585 I586L467-I564 PolarHBondContact N-O 3.46Å; L467-I564 PolarHBondContact O-N 3.26Å; L469-I564 HydrophobicContact CB-CD1 4.15Å; L469-I564 HydrophobicContact CD1-CB 4.32Å; L469-I564 HydrophobicContact CD1-CD1 3.7Å; L469-I564 HydrophobicContact CD1-CG1 4.42Å; L469-I564 HydrophobicContact CG-CD1 4.3Å; C490-I564 HydrophobicContact CB-CD1 4.31Å; V511-I564 HydrophobicContact CB-CD1 4.31Å; V511-I564 HydrophobicContact CG1-CD1 4Å; V562-I564 HydrophobicContact CG2-CD1 3.9Å; V562-I564 HydrophobicContact CG2-CG1 4.03Å; V562-I564 PolarHBondContact O-N 3.44Å; I564-L581 HydrophobicContact CG2-CD1 3.71Å; I564-P584 HydrophobicContact CG2-CB 3.85Å; I564-R585 WeakPolarHBondContact CA-O 3.3Å; I564-I586 HydrophobicContact CG1-CG1 4.33Å
565K91.3Very high92.4Very high34 Ų3429.9 Ų29.915%0.14817%0.165CC..EExtended strand (participates in β ladder)trans-99.7130.8167-162.5176.6-158.1167.80108.8E458 M464 P584 R585 E587E458-K565 WeakPolarHBondContact O-CE 3.32Å; E458-K565 PolarHBondContact O-NZ 3.37Å; M464-K565 HydrophobicContact CB-CG 4.26Å; M464-K565 HydrophobicContact CG-CD 4.37Å; M464-K565 HydrophobicContact CG-CG 4.27Å; K565-P584 CarbonylContact O-C 3.49Å; K565-P584 WeakPolarHBondContact O-CA 3.38Å; K565-R585 PolarHBondContact N-O 2.78Å; K565-R585 PolarHBondContact O-N 3.17Å; K565-E587 WeakPolarHBondContact CD-OE2 3.47Å
566A90.3Very high92.3Very high2 Ų232.6 Ų32.62%0.01718%0.176CC..  trans-140158.5176.600000109.5M464 L581 L615M464-A566 WeakPolarHBondContact CE-O 3.36Å; A566-L581 HydrophobicContact CB-CB 3.76Å; A566-L581 HydrophobicContact CB-CD1 4.14Å; A566-L581 HydrophobicContact CB-CD2 4.33Å; A566-L581 HydrophobicContact CB-CG 4.3Å; A566-L615 HydrophobicContact CB-CD1 3.69Å; A566-L615 VanDerWaalsContact O-CD1 3.32Å; A566-L615 WeakPolarHBondContact O-CD1 3.15Å
567A86.6Confident92.2Very high20 Ų2033.4 Ų33.417%0.16518%0.181CC..SBendtrans-75.7-43.7179.700000111.6R582 F583 L615A567-R582 PolarHBondContact N-O 3.33Å; A567-F583 HydrophobicContact CB-CD2 4.22Å; A567-L615 PolarHBondContact O-N 3.07Å
568E88.1Confident92Very high9 Ų935.5 Ų35.54%0.04219%0.188CC..EExtended strand (participates in β ladder)trans-160.3162.8-175.258.5-179.7-16900111.7Q349 V570 R582 G613 K614Q349-E568 PolarHBondContact OE1-OE2 3.44Å; E568-V570 HydrophobicContact CG-CG1 3.8Å; E568-V570 WeakPolarHBondContact OE1-CG1 3.38Å; E568-R582 HydrophobicContact CG-CB 3.62Å; E568-R582 HydrophobicContact CG-CG 4.34Å; E568-R582 PolarHBondContact O-N 3.31Å; E568-R582 WeakPolarHBondContact OE1-CD 3.3Å; E568-R582 IonicContact OE1-CZ 3.72Å; E568-R582 IonicContact OE1-NE 2.76Å; E568-R582 IonicContact OE1-NH1 3.28Å; E568-R582 PolarHBondContact OE1-NH1 3.13Å; E568-G613 CarbonylContact C-O 3.55Å; E568-G613 WeakPolarHBondContact CA-O 3.41Å; E568-G613 WeakPolarHBondContact CB-O 3.31Å; E568-K614 HydrophobicContact CB-CD 3.98Å; E568-K614 WeakPolarHBondContact OE2-CD 3.42Å; E568-K614 WeakPolarHBondContact OE2-CE 3.46Å; E568-K614 IonicContact OE2-NZ 2.77Å; E568-K614 PolarHBondContact OE2-NZ 3.15Å
569I91.1Very high91.9Very high10 Ų1032.2 Ų32.25%0.05117%0.17CC..EExtended strand (participates in β ladder)trans-97.8120.6171.2-57.6167.8000107.6C579 T580 L581 L604 L607 R608 G613 L615I569-C579 HydrophobicContact CG2-CB 3.86Å; I569-T580 CarbonylContact C-O 3.55Å; I569-T580 WeakPolarHBondContact CA-O 3.21Å; I569-L581 HydrophobicContact CG1-CD2 3.8Å; I569-L604 HydrophobicContact CD1-CD1 3.73Å; I569-L604 HydrophobicContact CG1-CD1 4.5Å; I569-L607 HydrophobicContact CD1-CB 4.27Å; I569-R608 HydrophobicContact CD1-CB 4.2Å; I569-R608 HydrophobicContact CG2-CG 4.39Å; I569-G613 PolarHBondContact N-O 3.34Å; I569-L615 HydrophobicContact CD1-CD2 4.11Å; I569-L615 HydrophobicContact CG1-CD1 4.47Å; I569-L615 HydrophobicContact CG1-CD2 4.32Å; I569-L615 HydrophobicContact CG1-CG 4.43Å
570V89.1Confident91.8Very high25 Ų2532.3 Ų32.315%0.15217%0.17CC..EExtended strand (participates in β ladder)trans-119.9153.3-178-59.50000111.2E568 C579 T580 R582E568-V570 HydrophobicContact CG-CG1 3.8Å; E568-V570 WeakPolarHBondContact OE1-CG1 3.38Å; V570-C579 CarbonylContact O-C 3.47Å; V570-C579 WeakPolarHBondContact O-CA 3.45Å; V570-C579 WeakPolarHBondContact O-CB 3.36Å; V570-T580 HydrophobicContact CG2-CG2 3.76Å; V570-T580 PolarHBondContact N-O 3.11Å; V570-T580 PolarHBondContact O-N 2.81Å; V570-R582 HydrophobicContact CG1-CB 4.26Å
571N88.3Confident91.6Very high92 Ų9232.2 Ų32.249%0.49217%0.169SC..EExtended strand (participates in β ladder)trans-66.6136178.5-64.5-20.4000111.1R608N571-R608 PolarHBondContact OD1-NH2 3.22Å
572S87.6Confident91.2Very high16 Ų1633.6 Ų33.611%0.11217%0.174CC..  trans-153.8130.4179.8-172.50000112.2M574 D578S572-M574 VanDerWaalsContact C-N 3.27Å; S572-M574 WeakPolarHBondContact OG-CB 3.19Å; S572-M574 PolarHBondContact OG-N 2.97Å; S572-D578 PolarHBondContact N-O 2.94Å; S572-D578 CarbonylContact O-C 3.53Å; S572-D578 WeakPolarHBondContact O-CA 3.39Å
573D88.9Confident90.8Very high111 Ų11138.5 Ų38.559%0.59420%0.196SC*.THydrogen-bonded Turntrans-82.8-1.3171.759.4-15.6000113.2T547T547-D573 PolarHBondContact OG1-O 2.83Å
574M88.9Confident90.7Very high68 Ų6838.9 Ų38.934%0.33520%0.2SC..THydrogen-bonded Turntrans-78-26.1-179.5-72.6-171.752.100113.2G546 T547 E548 S572G546-M574 CarbonylContact C-O 3.58Å; G546-M574 WeakPolarHBondContact CA-O 2.96Å; T547-M574 PolarHBondContact N-O 3.22Å; E548-M574 HydrophobicContact CB-CE 3.95Å; E548-M574 HydrophobicContact CG-CE 4.27Å; E548-M574 PolarHBondContact N-O 3.15Å; E548-M574 WeakPolarHBondContact OE2-CE 2.91Å; S572-M574 VanDerWaalsContact C-N 3.27Å; S572-M574 WeakPolarHBondContact OG-CB 3.19Å; S572-M574 PolarHBondContact OG-N 2.97Å
575Y94.3Very high90.5Very high19 Ų1945.2 Ų45.28%0.07522%0.224CC..SBendtrans-120.1163.7-170-59.4-81.8000110.6L489 S507 I508 C509 R510 E548 T577 D578 T580L489-Y575 HydrophobicContact CD1-CD1 4.22Å; L489-Y575 HydrophobicContact CD1-CE1 3.94Å; S507-Y575 WeakPolarHBondContact O-CB 3.28Å; I508-Y575 WeakPolarHBondContact O-CD2 3.47Å; C509-Y575 VanDerWaalsContact CA-CE1 3.5Å; R510-Y575 PolarHBondContact N-OH 3.45Å; R510-Y575 VanDerWaalsContact N-OH 3.17Å; E548-Y575 HydrophobicContact CB-CE1 4.19Å; E548-Y575 HydrophobicContact CG-CE1 4.24Å; Y575-T577 VanDerWaalsContact C-N 3.31Å; Y575-T577 PolarHBondContact O-N 3.01Å; Y575-D578 PolarHBondContact O-N 3.36Å; Y575-T580 VanDerWaalsContact CD2-CB 3.49Å; Y575-T580 HydrophobicContact CD2-CG2 4.34Å; Y575-T580 WeakPolarHBondContact CD2-OG1 3.4Å; Y575-T580 HydrophobicContact CE2-CG2 4.12Å; Y575-T580 WeakPolarHBondContact CE2-OG1 3.31Å
576K94.3Very high90.6Very high93 Ų9343.8 Ų43.840%0.40422%0.217SC..THydrogen-bonded Turntrans-75-24.2-174-179.157.5-176.81620112.8H506 S507 L544 D578H506-K576 HydrophobicContact CB-CB 4.22Å; H506-K576 HydrophobicContact CB-CG 4.05Å; S507-K576 PolarHBondContact O-N 2.98Å; S507-K576 PolarHBondContact OG-N 3.13Å; S507-K576 VanDerWaalsContact OG-N 3.1Å; L544-K576 HydrophobicContact CB-CD 4.26Å; L544-K576 HydrophobicContact CB-CG 3.79Å; L544-K576 WeakPolarHBondContact O-CB 3.07Å; K576-D578 PolarHBondContact O-N 3.19Å
577T92.3Very high90.6Very high21 Ų2146.8 Ų46.813%0.12923%0.231CC..THydrogen-bonded Turntrans-76.10.8177.847.30000114.1I492 H506 S507 I508 Y575 C579 L604I492-T577 HydrophobicContact CD1-CG2 3.5Å; I492-T577 VanDerWaalsContact CD1-CG2 3.5Å; I492-T577 HydrophobicContact CG1-CG2 3.86Å; H506-T577 HydrophobicContact CB-CG2 3.83Å; S507-T577 PolarHBondContact O-N 3.35Å; S507-T577 PolarHBondContact O-OG1 3.4Å; I508-T577 HydrophobicContact CB-CG2 4.16Å; I508-T577 HydrophobicContact CG1-CG2 4.42Å; Y575-T577 VanDerWaalsContact C-N 3.31Å; Y575-T577 PolarHBondContact O-N 3.01Å; T577-C579 PolarHBondContact O-N 2.82Å; T577-C579 PolarHBondContact O-SG 2.86Å; T577-C579 VanDerWaalsContact O-SG 3.33Å; T577-C579 PolarHBondContact OG1-O 3.25Å; T577-L604 HydrophobicContact CG2-CD2 4.28Å
578D90.8Very high90.9Very high114 Ų11451.3 Ų51.361%0.6125%0.247SC*.SBendtrans54.511.3-173.3-60.4-42.8000114.9S572 Y575 K576S572-D578 PolarHBondContact N-O 2.94Å; S572-D578 CarbonylContact O-C 3.53Å; S572-D578 WeakPolarHBondContact O-CA 3.39Å; Y575-D578 PolarHBondContact O-N 3.36Å; K576-D578 PolarHBondContact O-N 3.19Å
579C91.8Very high91.2Very high2 Ų252.8 Ų52.81%0.01426%0.255CS..EExtended strand (participates in β ladder)trans-144.8162.5175.165.70000110.2I569 V570 T577I569-C579 HydrophobicContact CG2-CB 3.86Å; V570-C579 CarbonylContact O-C 3.47Å; V570-C579 WeakPolarHBondContact O-CA 3.45Å; V570-C579 WeakPolarHBondContact O-CB 3.36Å; T577-C579 PolarHBondContact O-N 2.82Å; T577-C579 PolarHBondContact O-SG 2.86Å; T577-C579 VanDerWaalsContact O-SG 3.33Å; T577-C579 PolarHBondContact OG1-O 3.25Å
580T94.2Very high91.3Very high17 Ų1754.2 Ų54.210%0.10426%0.26CS..EExtended strand (participates in β ladder)trans-146173.6176.9-159.70000111.3I508 I569 V570 Y575I508-T580 WeakPolarHBondContact O-CA 3.46Å; I508-T580 VanDerWaalsContact O-CB 3.32Å; I508-T580 WeakPolarHBondContact O-CB 3.33Å; I508-T580 PolarHBondContact O-OG1 3.23Å; I569-T580 CarbonylContact C-O 3.55Å; I569-T580 WeakPolarHBondContact CA-O 3.21Å; V570-T580 HydrophobicContact CG2-CG2 3.76Å; V570-T580 PolarHBondContact N-O 3.11Å; V570-T580 PolarHBondContact O-N 2.81Å; Y575-T580 VanDerWaalsContact CD2-CB 3.49Å; Y575-T580 HydrophobicContact CD2-CG2 4.34Å; Y575-T580 WeakPolarHBondContact CD2-OG1 3.4Å; Y575-T580 HydrophobicContact CE2-CG2 4.12Å; Y575-T580 WeakPolarHBondContact CE2-OG1 3.31Å
581L92.6Very high91.4Very high8 Ų859.4 Ų59.44%0.04228%0.282CS..EExtended strand (participates in β ladder)trans-95133.5179.8-58.2-175.7000110.7L467 L469 I508 C509 I564 A566 I569 P584L467-L581 HydrophobicContact CD1-CD1 4.46Å; L467-L581 HydrophobicContact CD2-CD1 4.23Å; L467-L581 HydrophobicContact CD2-CD2 3.9Å; L469-L581 HydrophobicContact CD1-CD1 3.74Å; I508-L581 HydrophobicContact CD1-CD2 4.34Å; I508-L581 HydrophobicContact CD1-CG 4.39Å; C509-L581 HydrophobicContact CB-CB 4.21Å; C509-L581 HydrophobicContact CB-CD1 4.45Å; C509-L581 HydrophobicContact CB-CG 4.24Å; I564-L581 HydrophobicContact CG2-CD1 3.71Å; A566-L581 HydrophobicContact CB-CB 3.76Å; A566-L581 HydrophobicContact CB-CD1 4.14Å; A566-L581 HydrophobicContact CB-CD2 4.33Å; A566-L581 HydrophobicContact CB-CG 4.3Å; I569-L581 HydrophobicContact CG1-CD2 3.8Å; L581-P584 HydrophobicContact CB-CB 3.96Å; L581-P584 HydrophobicContact CB-CG 4.33Å; L581-P584 HydrophobicContact CD1-CB 4.41Å; L581-P584 WeakPolarHBondContact O-CD 3.13Å
582R89.5Confident91.7Very high29 Ų2960.5 Ų60.511%0.10929%0.288CS..EExtended strand (participates in β ladder)trans-88.9130172-167179176.4-165.3-7.7110.5D280 A567 E568 V570D280-R582 VanDerWaalsContact CG-NH2 3.33Å; D280-R582 IonicContact OD1-CZ 3.54Å; D280-R582 IonicContact OD1-NH1 2.78Å; D280-R582 IonicContact OD1-NH2 2.78Å; D280-R582 PolarHBondContact OD1-NH2 3.27Å; D280-R582 IonicContact OD2-CZ 2.81Å; D280-R582 VanDerWaalsContact OD2-CZ 3.3Å; D280-R582 IonicContact OD2-NH1 2.98Å; D280-R582 PolarHBondContact OD2-NH1 3.11Å; D280-R582 IonicContact OD2-NH2 3.83Å; D280-R582 PolarHBondContact OD2-NH2 2.71Å; A567-R582 PolarHBondContact N-O 3.33Å; E568-R582 HydrophobicContact CG-CB 3.62Å; E568-R582 HydrophobicContact CG-CG 4.34Å; E568-R582 PolarHBondContact O-N 3.31Å; E568-R582 WeakPolarHBondContact OE1-CD 3.3Å; E568-R582 IonicContact OE1-CZ 3.72Å; E568-R582 IonicContact OE1-NE 2.76Å; E568-R582 IonicContact OE1-NH1 3.28Å; E568-R582 PolarHBondContact OE1-NH1 3.13Å; V570-R582 HydrophobicContact CG1-CB 4.26Å
583F88.4Confident92.1Very high104 Ų10462.1 Ų62.146%0.45629%0.293SS..SBendtrans53.646.8-175.8-51.5-45.6000115.3A567A567-F583 HydrophobicContact CB-CD2 4.22Å
584P92.4Very high92.4Very high22 Ų2261.8 Ų61.814%0.14329%0.288CS..  trans-67.6137.6-177.929.9-33.9000111.3V511 S513 I564 K565 L581V511-P584 HydrophobicContact CG2-CB 4.36Å; S513-P584 PolarHBondContact OG-O 3.12Å; I564-P584 HydrophobicContact CG2-CB 3.85Å; K565-P584 CarbonylContact O-C 3.49Å; K565-P584 WeakPolarHBondContact O-CA 3.38Å; L581-P584 HydrophobicContact CB-CB 3.96Å; L581-P584 HydrophobicContact CB-CG 4.33Å; L581-P584 HydrophobicContact CD1-CB 4.41Å; L581-P584 WeakPolarHBondContact O-CD 3.13Å
585R90.5Very high92.6Very high133 Ų13360.4 Ų60.450%0.50228%0.279SS..EExtended strand (participates in β ladder)trans-137.9139.6174.2-56.8-175.5-176.9-173.42.8109.5S513 I564 K565 E587S513-R585 WeakPolarHBondContact O-CA 3.35Å; I564-R585 WeakPolarHBondContact CA-O 3.3Å; K565-R585 PolarHBondContact N-O 2.78Å; K565-R585 PolarHBondContact O-N 3.17Å; R585-E587 PolarHBondContact O-N 2.95Å
586I92.1Very high92.6Very high4 Ų464 Ų642%0.02129%0.293CS..EExtended strand (participates in β ladder)trans-73.2117.8171.2-67.2165.9000107.4F488 V511 S513 G514 Y515 V562 Q563 I564F488-I586 HydrophobicContact CD2-CD1 4.36Å; V511-I586 HydrophobicContact CG1-CD1 3.74Å; V511-I586 HydrophobicContact CG1-CG1 3.91Å; V511-I586 HydrophobicContact CG2-CD1 4.26Å; V511-I586 HydrophobicContact CG2-CG1 3.83Å; S513-I586 PolarHBondContact O-N 3.47Å; G514-I586 CarbonylContact C-O 3.58Å; G514-I586 WeakPolarHBondContact CA-O 3.47Å; Y515-I586 HydrophobicContact CD1-CB 4.37Å; Y515-I586 HydrophobicContact CD1-CD1 3.68Å; Y515-I586 HydrophobicContact CE1-CD1 3.87Å; V562-I586 HydrophobicContact CB-CD1 4.42Å; V562-I586 HydrophobicContact CB-CG1 4.15Å; V562-I586 HydrophobicContact CB-CG2 4.22Å; V562-I586 HydrophobicContact CG1-CD1 4.22Å; V562-I586 HydrophobicContact CG1-CG1 4.44Å; V562-I586 HydrophobicContact CG1-CG2 4.3Å; V562-I586 HydrophobicContact CG2-CG1 4.33Å; Q563-I586 CarbonylContact O-C 3.5Å; I564-I586 HydrophobicContact CG1-CG1 4.33Å
587E90.9Very high92.6Very high65 Ų6563.6 Ų63.630%0.30429%0.293SS..EExtended strand (participates in β ladder)trans-85.2-45174-175.2156.5179.300110.5Q563 K565 R585Q563-E587 PolarHBondContact O-N 3.3Å; K565-E587 WeakPolarHBondContact CD-OE2 3.47Å; R585-E587 PolarHBondContact O-N 2.95Å
588K92.4Very high92.6Very high115 Ų11562.9 Ų62.950%0.529%0.289SS..EExtended strand (participates in β ladder)trans-146.7152179-64177-169.5150.80111.6Q563Q563-K588 HydrophobicContact CB-CB 4.3Å; Q563-K588 PolarHBondContact N-O 3.23Å
589I94.6Very high92.8Very high41 Ų4158.3 Ų58.321%0.2126%0.264CS..EExtended strand (participates in β ladder)trans-90.1116.1166.8-57.7172000106.7E519 L523 V560 E591E519-I589 HydrophobicContact CB-CD1 4.17Å; L523-I589 HydrophobicContact CB-CD1 4.16Å; L523-I589 HydrophobicContact CD1-CG2 4.37Å; L523-I589 HydrophobicContact CD2-CD1 4.13Å; V560-I589 HydrophobicContact CG1-CG2 3.53Å; I589-E591 HydrophobicContact CG2-CG 4.2Å; I589-E591 PolarHBondContact O-N 2.74Å; I589-E591 VanDerWaalsContact O-N 3.13Å
590R94.6Very high93Very high40 Ų4059.4 Ų59.415%0.15127%0.27CS..EExtended strand (participates in β ladder)trans-87.977.6-172.1-64.5-64-60.2-856.2110.8D468 I561 Q563 D592 K593D468-R590 IonicContact OD1-CZ 2.63Å; D468-R590 IonicContact OD1-NH1 3.67Å; D468-R590 PolarHBondContact OD1-NH1 2.69Å; D468-R590 IonicContact OD2-CZ 3.95Å; D468-R590 IonicContact OD2-NH1 2.81Å; D468-R590 PolarHBondContact OD2-NH1 2.85Å; I561-R590 HydrophobicContact CB-CB 4.14Å; I561-R590 HydrophobicContact CG2-CB 3.93Å; I561-R590 HydrophobicContact CG2-CG 4.16Å; I561-R590 PolarHBondContact O-N 2.73Å; Q563-R590 HydrophobicContact CB-CG 3.85Å; R590-D592 WeakPolarHBondContact CA-OD1 3.5Å; R590-D592 IonicContact CZ-OD1 2.59Å; R590-D592 IonicContact CZ-OD2 2.8Å; R590-D592 IonicContact NE-OD1 2.87Å; R590-D592 PolarHBondContact NE-OD1 2.87Å; R590-D592 IonicContact NE-OD2 2.6Å; R590-D592 PolarHBondContact NE-OD2 2.84Å; R590-D592 IonicContact NH2-OD1 3.56Å; R590-D592 IonicContact NH2-OD2 2.75Å; R590-D592 PolarHBondContact NH2-OD2 2.86Å; R590-D592 PolarHBondContact O-N 3.18Å; R590-K593 HydrophobicContact CB-CB 4.29Å; R590-K593 HydrophobicContact CB-CG 4.47Å; R590-K593 VanDerWaalsContact NH2-CE 3.3Å; R590-K593 PolarHBondContact O-N 3.32Å
591E91.1Very high92.8Very high134 Ų13460.2 Ų60.263%0.62628%0.277SS*.THydrogen-bonded Turntrans-73.8-12.8174.1-55.1-156.8131.600113.2K526 I589 K593K526-E591 IonicContact NZ-OE1 2.9Å; K526-E591 PolarHBondContact NZ-OE1 3.25Å; I589-E591 HydrophobicContact CG2-CG 4.2Å; I589-E591 PolarHBondContact O-N 2.74Å; I589-E591 VanDerWaalsContact O-N 3.13Å; E591-K593 VanDerWaalsContact C-N 3.28Å
592D94.4Very high92.7Very high114 Ų11464.4 Ų64.461%0.6130%0.3SS*.THydrogen-bonded Turntrans-78.5-10.4174.362-56.8000113.5R590R590-D592 WeakPolarHBondContact CA-OD1 3.5Å; R590-D592 IonicContact CZ-OD1 2.59Å; R590-D592 IonicContact CZ-OD2 2.8Å; R590-D592 IonicContact NE-OD1 2.87Å; R590-D592 PolarHBondContact NE-OD1 2.87Å; R590-D592 IonicContact NE-OD2 2.6Å; R590-D592 PolarHBondContact NE-OD2 2.84Å; R590-D592 IonicContact NH2-OD1 3.56Å; R590-D592 IonicContact NH2-OD2 2.75Å; R590-D592 PolarHBondContact NH2-OD2 2.86Å; R590-D592 PolarHBondContact O-N 3.18Å
593K94.4Very high92.7Very high51 Ų5168.4 Ų68.422%0.22232%0.321CS..SBendtrans-115.6140.3-179.4-71.3-168.7154.8-167.20111.8D468 I561 R590 E591 E597D468-K593 WeakPolarHBondContact OD2-CE 3.48Å; D468-K593 IonicContact OD2-NZ 3.99Å; D468-K593 PolarHBondContact OD2-NZ 3.24Å; I561-K593 HydrophobicContact CD1-CB 4.04Å; R590-K593 HydrophobicContact CB-CB 4.29Å; R590-K593 HydrophobicContact CB-CG 4.47Å; R590-K593 VanDerWaalsContact NH2-CE 3.3Å; R590-K593 PolarHBondContact O-N 3.32Å; E591-K593 VanDerWaalsContact C-N 3.28Å; K593-E597 HydrophobicContact CB-CB 4.47Å
594E95.3Very high92.9Very high103 Ų10363.8 Ų63.848%0.48130%0.301SS..  trans-80.3155171.2-68.4-64.1150.600111.6I561 Y596 E597I561-E594 WeakPolarHBondContact CD1-O 3.39Å; E594-Y596 HydrophobicContact CB-CD1 3.88Å; E594-Y596 HydrophobicContact CB-CD2 4.48Å; E594-Y596 HydrophobicContact CB-CE1 3.39Å; E594-Y596 HydrophobicContact CB-CE2 4.03Å; E594-Y596 HydrophobicContact CB-CG 4.4Å; E594-Y596 VanDerWaalsContact CB-CZ 3.46Å; E594-Y596 HydrophobicContact CG-CE1 3.91Å; E594-Y596 PolarHBondContact O-N 3.33Å; E594-E597 PolarHBondContact N-OE1 2.76Å; E594-E597 WeakPolarHBondContact O-CB 3.48Å; E594-E597 PolarHBondContact O-N 3.3Å
595W94.6Very high92.7Very high40 Ų4067.6 Ų67.615%0.15232%0.316CS..G310 helixtrans-56.4-28.9-175.166.3-89.7000114.6L470 K501 P502 F505 P556 C557 E597 C598L470-W595 HydrophobicContact CD1-CB 3.87Å; K501-W595 HydrophobicContact CB-CH2 3.9Å; K501-W595 HydrophobicContact CB-CZ2 4.29Å; K501-W595 HydrophobicContact CD-CH2 4.28Å; K501-W595 HydrophobicContact CD-CZ2 3.8Å; P502-W595 HydrophobicContact CG-CZ3 4.14Å; P502-W595 VanDerWaalsContact O-CZ3 3.25Å; P502-W595 WeakPolarHBondContact O-CZ3 3.25Å; F505-W595 HydrophobicContact CE2-CE3 4.38Å; F505-W595 AromaticContact CE2-CZ3 4Å; F505-W595 HydrophobicContact CE2-CZ3 4Å; F505-W595 AromaticContact CZ-CE3 3.79Å; F505-W595 HydrophobicContact CZ-CE3 3.79Å; F505-W595 AromaticContact CZ-CZ3 3.72Å; F505-W595 HydrophobicContact CZ-CZ3 3.72Å; P556-W595 HydrophobicContact CB-CE3 3.96Å; P556-W595 HydrophobicContact CB-CZ3 4.19Å; P556-W595 VanDerWaalsContact O-CB 3.26Å; P556-W595 WeakPolarHBondContact O-CB 3.42Å; C557-W595 HydrophobicContact CB-CD2 4.34Å; C557-W595 HydrophobicContact CB-CZ2 4.01Å; W595-E597 VanDerWaalsContact C-N 3.3Å; W595-C598 WeakPolarHBondContact O-CB 3.39Å
596Y93Very high92.7Very high94 Ų9467.1 Ų67.137%0.36932%0.32SS..G310 helixtrans-80.7-7.6179.755.7-100.8000113.4K501 E594 C598K501-Y596 HydrophobicContact CD-CD1 3.92Å; K501-Y596 HydrophobicContact CD-CE1 4.5Å; K501-Y596 HydrophobicContact CD-CG 4.29Å; K501-Y596 HydrophobicContact CG-CD1 4.4Å; K501-Y596 HydrophobicContact CG-CG 4.27Å; E594-Y596 HydrophobicContact CB-CD1 3.88Å; E594-Y596 HydrophobicContact CB-CD2 4.48Å; E594-Y596 HydrophobicContact CB-CE1 3.39Å; E594-Y596 HydrophobicContact CB-CE2 4.03Å; E594-Y596 HydrophobicContact CB-CG 4.4Å; E594-Y596 VanDerWaalsContact CB-CZ 3.46Å; E594-Y596 HydrophobicContact CG-CE1 3.91Å; E594-Y596 PolarHBondContact O-N 3.33Å; Y596-C598 PolarHBondContact O-N 3.35Å
597E93.6Very high92.5Very high84 Ų8468.1 Ų68.139%0.39333%0.325SS..G310 helixtrans-88.214.9172.4-60177.6-11700112.6I561 K593 E594 W595I561-E597 HydrophobicContact CD1-CB 4.32Å; K593-E597 HydrophobicContact CB-CB 4.47Å; E594-E597 PolarHBondContact N-OE1 2.76Å; E594-E597 WeakPolarHBondContact O-CB 3.48Å; E594-E597 PolarHBondContact O-N 3.3Å; W595-E597 VanDerWaalsContact C-N 3.3Å
598C94.1Very high92.3Very high7 Ų768.4 Ų68.45%0.04732%0.323CS..SBendtrans-60.4146173.8-179.50000110.4L470 A491 A493 F505 I561 W595 Y596 T600L470-C598 HydrophobicContact CB-CB 4.11Å; L470-C598 PolarHBondContact N-SG 3.41Å; A491-C598 PolarHBondContact O-SG 2.89Å; A493-C598 HydrophobicContact CB-CB 4.48Å; F505-C598 HydrophobicContact CE1-CB 4.28Å; I561-C598 HydrophobicContact CD1-CB 4.21Å; W595-C598 WeakPolarHBondContact O-CB 3.39Å; Y596-C598 PolarHBondContact O-N 3.35Å; C598-T600 PolarHBondContact O-N 3.15Å
599M94.7Very high92.1Very high17 Ų1766.7 Ų66.78%0.08433%0.326CS..PPolyproline II helixtrans-51.1139.7170.4175.8178.1-7500111.5L467 D468 L469 I492 A493 M603 L604 L607L467-M599 HydrophobicContact CB-CE 3.87Å; L467-M599 HydrophobicContact CB-SD 4.27Å; L467-M599 HydrophobicContact CD2-CE 4.13Å; L467-M599 HydrophobicContact CD2-SD 3.87Å; L467-M599 HydrophobicContact CG-CE 3.88Å; L467-M599 HydrophobicContact CG-SD 4.27Å; D468-M599 WeakPolarHBondContact O-CB 3.49Å; D468-M599 PolarHBondContact O-N 2.97Å; L469-M599 HydrophobicContact CD2-CB 4.31Å; L469-M599 HydrophobicContact CD2-SD 4.19Å; I492-M599 WeakPolarHBondContact CA-O 3.43Å; I492-M599 WeakPolarHBondContact CB-O 3.32Å; I492-M599 HydrophobicContact CG2-CG 4.37Å; A493-M599 PolarHBondContact N-O 3.47Å; M599-M603 HydrophobicContact CG-CB 3.91Å; M599-L604 HydrophobicContact SD-CB 4.42Å; M599-L604 HydrophobicContact SD-CD1 4.44Å; M599-L607 HydrophobicContact CE-CD1 3.61Å; M599-L607 HydrophobicContact SD-CD1 4.34Å
600T94.8Very high91.6Very high25 Ų2569.3 Ų69.315%0.15334%0.336CS..BIsolated β-bridgetrans-95.9165177.964.90000112.6A493 C598 D602 M603 L604A493-T600 CarbonylContact O-C 3.6Å; A493-T600 VanDerWaalsContact O-CA 3.25Å; A493-T600 WeakPolarHBondContact O-CA 2.93Å; C598-T600 PolarHBondContact O-N 3.15Å; T600-D602 VanDerWaalsContact C-N 3.27Å; T600-D602 PolarHBondContact O-N 2.57Å; T600-M603 PolarHBondContact O-N 3.32Å; T600-L604 PolarHBondContact O-N 3.44Å; T600-L604 VanDerWaalsContact O-N 3.15Å
601S90.8Very high90.9Very high35 Ų3567.5 Ų67.525%0.24533%0.329CS..Hα-helixtrans-53.4-40.617248.40000113.5A493 M603 L604 E605A493-S601 PolarHBondContact O-N 3.47Å; S601-M603 PolarHBondContact O-N 2.75Å; S601-L604 WeakPolarHBondContact O-CB 3.43Å; S601-L604 PolarHBondContact O-N 3.1Å; S601-E605 PolarHBondContact O-N 2.87Å
602D90.4Very high90.4Very high96 Ų9669.5 Ų69.551%0.51334%0.338SS..Hα-helixtrans-69-38-177.3-55.5-25.7000111.6T495 T600 L604 E605 H606T495-D602 WeakPolarHBondContact CB-OD2 3.16Å; T495-D602 WeakPolarHBondContact CG2-OD2 3.37Å; T495-D602 VanDerWaalsContact OG1-CG 3.25Å; T495-D602 PolarHBondContact OG1-OD2 2.99Å; T600-D602 VanDerWaalsContact C-N 3.27Å; T600-D602 PolarHBondContact O-N 2.57Å; D602-L604 VanDerWaalsContact C-N 3.33Å; D602-E605 PolarHBondContact O-N 3.35Å; D602-H606 WeakPolarHBondContact O-CB 3.43Å; D602-H606 PolarHBondContact O-N 3.47Å
603M90.3Very high89.7Confident112 Ų11264.1 Ų64.155%0.55231%0.31SS*.Hα-helixtrans-65.1-38.8174.3-70.1-177.217800111.6M599 T600 S601 H606 L607M599-M603 HydrophobicContact CG-CB 3.91Å; T600-M603 PolarHBondContact O-N 3.32Å; S601-M603 PolarHBondContact O-N 2.75Å; M603-H606 PolarHBondContact O-N 2.87Å; M603-L607 WeakPolarHBondContact O-CG 3.48Å; M603-L607 PolarHBondContact O-N 2.86Å
604L91.2Very high89.2Confident7 Ų762.9 Ų62.94%0.03731%0.305CS..Hα-helixtrans-64.9-44.7176.9-178.167.8000111.4L467 I492 I508 I569 T577 M599 T600 S601 D602 H606 L607 R608L467-L604 HydrophobicContact CD2-CD1 4.1Å; I492-L604 HydrophobicContact CD1-CB 4.3Å; I492-L604 HydrophobicContact CD1-CD2 3.65Å; I508-L604 HydrophobicContact CD1-CD1 3.76Å; I508-L604 HydrophobicContact CD1-CD2 3.63Å; I508-L604 HydrophobicContact CD1-CG 4.37Å; I508-L604 HydrophobicContact CG1-CD2 4.46Å; I569-L604 HydrophobicContact CD1-CD1 3.73Å; I569-L604 HydrophobicContact CG1-CD1 4.5Å; T577-L604 HydrophobicContact CG2-CD2 4.28Å; M599-L604 HydrophobicContact SD-CB 4.42Å; M599-L604 HydrophobicContact SD-CD1 4.44Å; T600-L604 PolarHBondContact O-N 3.44Å; T600-L604 VanDerWaalsContact O-N 3.15Å; S601-L604 WeakPolarHBondContact O-CB 3.43Å; S601-L604 PolarHBondContact O-N 3.1Å; D602-L604 VanDerWaalsContact C-N 3.33Å; L604-H606 VanDerWaalsContact C-N 3.32Å; L604-H606 PolarHBondContact O-N 2.84Å; L604-L607 PolarHBondContact O-N 3.03Å; L604-R608 WeakPolarHBondContact O-CB 3.36Å; L604-R608 PolarHBondContact O-N 2.73Å
605E89.3Confident88.8Confident102 Ų10258 Ų5848%0.47728%0.282SS..Hα-helixtrans-66.6-36.1178.9-165.261.3-152.300111.5S601 D602 R608 S609S601-E605 PolarHBondContact O-N 2.87Å; D602-E605 PolarHBondContact O-N 3.35Å; E605-R608 PolarHBondContact O-N 3.08Å; E605-R608 IonicContact OE1-NH1 3.84Å; E605-R608 IonicContact OE2-NH1 3.4Å; E605-S609 WeakPolarHBondContact O-CB 3.32Å; E605-S609 PolarHBondContact O-N 2.87Å; E605-S609 PolarHBondContact O-OG 2.9Å
606H89.8Confident88.3Confident124 Ų12456.7 Ų56.757%0.57428%0.28SS*.Hα-helixtrans-61.5-47171.1-176.767.2000112.2D602 M603 L604 R608 S609 K610D602-H606 WeakPolarHBondContact O-CB 3.43Å; D602-H606 PolarHBondContact O-N 3.47Å; M603-H606 PolarHBondContact O-N 2.87Å; L604-H606 VanDerWaalsContact C-N 3.32Å; L604-H606 PolarHBondContact O-N 2.84Å; H606-R608 VanDerWaalsContact C-N 3.32Å; H606-R608 PolarHBondContact O-N 3.3Å; H606-S609 PolarHBondContact O-N 3.15Å; H606-S609 PolarHBondContact O-OG 3Å; H606-S609 VanDerWaalsContact O-OG 3.04Å; H606-K610 VanDerWaalsContact O-CB 3.31Å; H606-K610 WeakPolarHBondContact O-CB 3.23Å; H606-K610 PolarHBondContact O-N 3.33Å
607L88.3Confident87.8Confident24 Ų2453.9 Ų53.913%0.12627%0.274CS..Hα-helixtrans-62.7-39.7176.7-74.1175.2000112D465 L467 I569 M599 M603 L604D465-L607 HydrophobicContact CB-CD2 3.92Å; L467-L607 HydrophobicContact CD2-CD1 4.49Å; L467-L607 HydrophobicContact CG-CD1 4.43Å; I569-L607 HydrophobicContact CD1-CB 4.27Å; M599-L607 HydrophobicContact CE-CD1 3.61Å; M599-L607 HydrophobicContact SD-CD1 4.34Å; M603-L607 WeakPolarHBondContact O-CG 3.48Å; M603-L607 PolarHBondContact O-N 2.86Å; L604-L607 PolarHBondContact O-N 3.03Å
608R87.4Confident87.4Confident72 Ų7254.1 Ų54.127%0.27227%0.273SS..Hα-helixtrans-65.1-44.3178.5-172.7-176.7-179.8-162.32.3112I569 N571 L604 E605 H606 E612 G613I569-R608 HydrophobicContact CD1-CB 4.2Å; I569-R608 HydrophobicContact CG2-CG 4.39Å; N571-R608 PolarHBondContact OD1-NH2 3.22Å; L604-R608 WeakPolarHBondContact O-CB 3.36Å; L604-R608 PolarHBondContact O-N 2.73Å; E605-R608 PolarHBondContact O-N 3.08Å; E605-R608 IonicContact OE1-NH1 3.84Å; E605-R608 IonicContact OE2-NH1 3.4Å; H606-R608 VanDerWaalsContact C-N 3.32Å; H606-R608 PolarHBondContact O-N 3.3Å; R608-E612 CarbonylContact O-C 3.53Å; R608-E612 PolarHBondContact O-N 3.07Å; R608-G613 PolarHBondContact O-N 2.95Å
609S86.6Confident87Confident79 Ų7958.3 Ų58.355%0.55229%0.292SS*.Hα-helixtrans-73.3-31.5-17952.80000113.5E605 H606 A611E605-S609 WeakPolarHBondContact O-CB 3.32Å; E605-S609 PolarHBondContact O-N 2.87Å; E605-S609 PolarHBondContact O-OG 2.9Å; H606-S609 PolarHBondContact O-N 3.15Å; H606-S609 PolarHBondContact O-OG 3Å; H606-S609 VanDerWaalsContact O-OG 3.04Å; S609-A611 VanDerWaalsContact C-N 3.34Å; S609-A611 PolarHBondContact O-N 2.93Å
610K85.4Confident86.4Confident96 Ų9658.5 Ų58.542%0.41729%0.293SS..Hα-helixtrans-59-37.2-176.2-178.8-177.8172.4-158.50114.5D465 H606 S617D465-K610 IonicContact OD2-NZ 2.72Å; D465-K610 PolarHBondContact OD2-NZ 3.49Å; H606-K610 VanDerWaalsContact O-CB 3.31Å; H606-K610 WeakPolarHBondContact O-CB 3.23Å; H606-K610 PolarHBondContact O-N 3.33Å; K610-S617 WeakPolarHBondContact CE-OG 3.38Å; K610-S617 PolarHBondContact NZ-OG 3.43Å; K610-S617 VanDerWaalsContact NZ-OG 3.08Å
611A80Confident85.6Confident2 Ų261.4 Ų61.42%0.01731%0.313CS..THydrogen-bonded Turntrans-143.437.7-176.500000112.5S609 G613 K614S609-A611 VanDerWaalsContact C-N 3.34Å; S609-A611 PolarHBondContact O-N 2.93Å; A611-G613 PolarHBondContact O-N 2.72Å; A611-G613 VanDerWaalsContact O-N 3.13Å; A611-K614 HydrophobicContact CB-CB 4.25Å; A611-K614 WeakPolarHBondContact CB-O 3.27Å; A611-K614 WeakPolarHBondContact O-CB 3.35Å; A611-K614 PolarHBondContact O-N 3.41Å
612E80Confident84.7Confident175 Ų17562.4 Ų62.482%0.81832%0.315SS*.THydrogen-bonded Turntrans51.539177.4-60-180177.400113.1R608R608-E612 CarbonylContact O-C 3.53Å; R608-E612 PolarHBondContact O-N 3.07Å
613G80.3Confident83.2Confident2 Ų262.8 Ų62.82%0.02132%0.317CS..THydrogen-bonded Turntrans90.6-16.4-177.900000115.4E568 I569 R608 A611E568-G613 CarbonylContact C-O 3.55Å; E568-G613 WeakPolarHBondContact CA-O 3.41Å; E568-G613 WeakPolarHBondContact CB-O 3.31Å; I569-G613 PolarHBondContact N-O 3.34Å; R608-G613 PolarHBondContact O-N 2.95Å; A611-G613 PolarHBondContact O-N 2.72Å; A611-G613 VanDerWaalsContact O-N 3.13Å
614K83.9Confident80.9Confident25 Ų2562.6 Ų62.611%0.10932%0.318CS..BIsolated β-bridgetrans-68138.2174-65.7-60.3-169.8-176.90111.1R430 E568 A611R430-K614 HydrophobicContact CB-CG 4.41Å; R430-K614 VanDerWaalsContact O-CE 3.23Å; R430-K614 WeakPolarHBondContact O-CE 3.23Å; E568-K614 HydrophobicContact CB-CD 3.98Å; E568-K614 WeakPolarHBondContact OE2-CD 3.42Å; E568-K614 WeakPolarHBondContact OE2-CE 3.46Å; E568-K614 IonicContact OE2-NZ 2.77Å; E568-K614 PolarHBondContact OE2-NZ 3.15Å; A611-K614 HydrophobicContact CB-CB 4.25Å; A611-K614 WeakPolarHBondContact CB-O 3.27Å; A611-K614 WeakPolarHBondContact O-CB 3.35Å; A611-K614 PolarHBondContact O-N 3.41Å
615L86.8Confident78.3Confident1 Ų169 Ų691%0.00535%0.353CS..SBendtrans-94.6-4176.3-68.7167.1000113M464 D465 L467 A566 A567 I569M464-L615 WeakPolarHBondContact CA-O 3.32Å; M464-L615 HydrophobicContact CE-CB 3.86Å; D465-L615 HydrophobicContact CB-CD2 4.42Å; D465-L615 PolarHBondContact N-O 3.27Å; L467-L615 HydrophobicContact CD1-CD1 3.57Å; L467-L615 HydrophobicContact CD1-CD2 4.06Å; L467-L615 HydrophobicContact CD1-CG 4.46Å; A566-L615 HydrophobicContact CB-CD1 3.69Å; A566-L615 VanDerWaalsContact O-CD1 3.32Å; A566-L615 WeakPolarHBondContact O-CD1 3.15Å; A567-L615 PolarHBondContact O-N 3.07Å; I569-L615 HydrophobicContact CD1-CD2 4.11Å; I569-L615 HydrophobicContact CG1-CD1 4.47Å; I569-L615 HydrophobicContact CG1-CD2 4.32Å; I569-L615 HydrophobicContact CG1-CG 4.43Å
616A84.6Confident76Confident11 Ų1172.7 Ų72.79%0.09138%0.375CS..BIsolated β-bridgetrans-96.9104.5169.300000109P457 M464P457-A616 HydrophobicContact CB-CB 3.44Å; P457-A616 VanDerWaalsContact CB-CB 3.44Å; P457-A616 HydrophobicContact CG-CB 3.88Å; M464-A616 HydrophobicContact CE-CB 4.32Å; M464-A616 HydrophobicContact SD-CB 3.63Å
617S82.1Confident73.2Confident36 Ų3674 Ų7425%0.25238%0.382SS..  trans-131.94.3177.887.20000113.2K610K610-S617 WeakPolarHBondContact CE-OG 3.38Å; K610-S617 PolarHBondContact NZ-OG 3.43Å; K610-S617 VanDerWaalsContact NZ-OG 3.08Å
618K84.5Confident70.7Confident88 Ų8878.7 Ų78.738%0.38341%0.414SS..  trans-109.1140.1-177.5-64.2173.9-169.1152.50108.5L463 D465L463-K618 HydrophobicContact CD2-CB 4.48Å; D465-K618 WeakPolarHBondContact OD1-CE 3.3Å; D465-K618 IonicContact OD1-NZ 3.96Å; D465-K618 PolarHBondContact OD1-NZ 3.45Å
619H86.2Confident68.1Low95 Ų9583.7 Ų83.744%0.4444%0.44SS..PPolyproline II helixtrans-77.9149.1171-70.2179.7000110.9N424 D428 P621N424-H619 VanDerWaalsContact OD1-CA 3.29Å; N424-H619 WeakPolarHBondContact OD1-CA 3.47Å; D428-H619 VanDerWaalsContact CG-NE2 3.26Å; D428-H619 IonicContact OD1-CD2 2.82Å; D428-H619 IonicContact OD1-CE1 2.67Å; D428-H619 IonicContact OD1-NE2 3.35Å; D428-H619 PolarHBondContact OD1-NE2 3.45Å; D428-H619 IonicContact OD2-CE1 3.84Å; D428-H619 PolarHBondContact OD2-CE1 3.01Å; D428-H619 VanDerWaalsContact OD2-CE1 3.3Å; D428-H619 IonicContact OD2-NE2 3.96Å; D428-H619 PolarHBondContact OD2-NE2 3.14Å; H619-P621 WeakPolarHBondContact O-CD 3.45Å
620L82.5Confident65.6Low21 Ų2188.8 Ų88.811%0.1146%0.455CS..PPolyproline II helixtrans-77.7120.2167.3-178.960.1000108.1V261 I420 L423 N424 V460 L463 I622V261-L620 HydrophobicContact CG1-CD2 4.15Å; I420-L620 HydrophobicContact CD1-CD2 4.23Å; I420-L620 HydrophobicContact CG1-CD2 3.87Å; I420-L620 HydrophobicContact CG2-CB 4.06Å; I420-L620 HydrophobicContact CG2-CD2 4.2Å; I420-L620 HydrophobicContact CG2-CG 4.16Å; I420-L620 WeakPolarHBondContact CG2-O 3.42Å; L423-L620 HydrophobicContact CD2-CD2 4.48Å; N424-L620 PolarHBondContact ND2-O 2.79Å; N424-L620 PolarHBondContact OD1-N 2.88Å; V460-L620 HydrophobicContact CG1-CD1 3.87Å; V460-L620 HydrophobicContact CG1-CD2 4.39Å; L463-L620 HydrophobicContact CD1-CB 4.13Å; L463-L620 HydrophobicContact CD2-CB 4.1Å; L463-L620 HydrophobicContact CD2-CD1 4.45Å; L620-I622 PolarHBondContact O-N 2.83Å
621P78.2Confident63.1Low86 Ų8693.1 Ų93.156%0.55847%0.474SS*.PPolyproline II helixtrans-62.1138.3175.924.8-34.9000110.6H619 D623H619-P621 WeakPolarHBondContact O-CD 3.45Å; P621-D623 PolarHBondContact O-N 3.09Å
622I70.8Confident60.9Low57 Ų57102.7 Ų102.729%0.29252%0.515SS..  trans-8393.6168.7-54.1165.8000105.4K417 I420 D421 L620 D624K417-I622 HydrophobicContact CD-CG2 4.14Å; K417-I622 HydrophobicContact CG-CD1 4.23Å; K417-I622 HydrophobicContact CG-CG2 4.01Å; I420-I622 HydrophobicContact CG2-CG1 3.87Å; D421-I622 WeakPolarHBondContact OD1-CD1 3.2Å; L620-I622 PolarHBondContact O-N 2.83Å; I622-D624 PolarHBondContact O-N 3.18Å
623D58.2Low58.7Low104 Ų104104.4 Ų104.456%0.55652%0.52SS*.  trans-67.6102.3169.8-73.3-29.8000107.7R416 P621R416-D623 PolarHBondContact NH2-O 3.37Å; P621-D623 PolarHBondContact O-N 3.09Å
624D43.1Very low56.2Low107 Ų107112 Ų11257%0.57255%0.552SS**  trans-109.48.8174.3-105.8-13.9000112.5K417 I622K417-D624 IonicContact NZ-OD2 3.92Å; K417-D624 PolarHBondContact NZ-OD2 3.48Å; I622-D624 PolarHBondContact O-N 3.18Å
625D37.3Very low53.8Low143 Ų143117.2 Ų117.277%0.76559%0.587SS**  trans-120.7113.3178.3-86.3-37.1000113.5E627D625-E627 PolarHBondContact O-N 3.38Å; D625-E627 VanDerWaalsContact O-N 3.1Å
626D40.1Very low51.1Low178 Ų178123.8 Ų123.895%0.95263%0.627SS**  trans-7648157.4-133.5-7.7000109.6
627E31.1Very low48.6Very low153 Ų153127.3 Ų127.372%0.71565%0.648SS**SBendtrans-123.5137.2168.4-86.8-150.9168.100111.9D625 Q629D625-E627 PolarHBondContact O-N 3.38Å; D625-E627 VanDerWaalsContact O-N 3.1Å; E627-Q629 PolarHBondContact O-N 3.23Å
628P35.8Very low46.5Very low122 Ų122135 Ų13579%0.79268%0.677SS**  trans-70.9105.1-174.127.9-31.5000110.3E630P628-E630 PolarHBondContact O-N 3.02Å; P628-E630 VanDerWaalsContact O-N 3.14Å
629Q32.2Very low44Very low177 Ų177137.4 Ų137.483%0.82770%0.699SS**  trans-46.8122.8172.7-79.1-172.7-12.600111.7E627 K631E627-Q629 PolarHBondContact O-N 3.23Å; Q629-K631 PolarHBondContact O-N 3.1Å
630E33.8Very low41.3Very low185 Ų185142 Ų14286%0.86472%0.718SS**  trans-51.7124.3175.3-74-170.4142.200111.2P628 K632P628-E630 PolarHBondContact O-N 3.02Å; P628-E630 VanDerWaalsContact O-N 3.14Å; E630-K632 PolarHBondContact O-N 3.31Å
631K34.7Very low38.8Very low188 Ų188150 Ų15082%0.81775%0.752SS**  trans-61.795.7175.3-71.7171.4-178.3161.70110.1Q629 K633Q629-K631 PolarHBondContact O-N 3.1Å; K631-K633 PolarHBondContact O-N 3.31Å
632K32.9Very low36.5Very low203 Ų203153.4 Ų153.488%0.88376%0.763SS**  trans-57.3128.2158.5-80.2-178.7178.1173.20109E630 K634E630-K632 PolarHBondContact O-N 3.31Å; K632-K634 PolarHBondContact O-N 2.84Å
633K32.8Very low34.8Very low211 Ų211158.9 Ų158.992%0.91779%0.792SS**  trans-34.5111.3-170.3-75.9172.9174.6173.60113.6K631 T635K631-K633 PolarHBondContact O-N 3.31Å; K633-T635 PolarHBondContact O-N 3.08Å
634K29.1Very low33.6Very low161 Ų161156.1 Ų156.170%0.779%0.788SS**  trans-65.4115163.6-76.8-178.3177.4177.60109K632K632-K634 PolarHBondContact O-N 2.84Å
635T32.3Very low33.3Very low135 Ų135157 Ų15783%0.82879%0.791SS**  trans-53.2138.9147.920.80000108.7K633 P637K633-T635 PolarHBondContact O-N 3.08Å; T635-P637 VanDerWaalsContact O-N 3.17Å
636V31.1Very low33.6Very low139 Ų139152.5 Ų152.584%0.84277%0.773SS**  trans-40.8117.4-170.9-176.40000111.4K638V636-K638 PolarHBondContact O-N 2.78Å
637P32.7Very low33.9Very low84 Ų84152.8 Ų152.855%0.54577%0.769SS.*  trans-73.1116.4177.827-28.7000109T635 V639T635-P637 VanDerWaalsContact O-N 3.17Å; P637-V639 PolarHBondContact O-N 3.17Å
638K36.7Very low34.6Very low199 Ų199150.5 Ų150.587%0.86576%0.758SS**  trans-51.7124.7147.5-81.2-178.5177.1176.30106.5V636 K640V636-K638 PolarHBondContact O-N 2.78Å; K638-K640 PolarHBondContact O-N 3.27Å
639V31.8Very low35Very low138 Ų138149.8 Ų149.884%0.83674%0.743SS**  trans-39.6100.2-177.6179.10000110.6P637 K641P637-V639 PolarHBondContact O-N 3.17Å; V639-K641 PolarHBondContact O-N 2.86Å
640K31Very low35.9Very low191 Ų191148.6 Ų148.683%0.8374%0.735SS**  trans-72110166-80.8-175.3175.7-176.90105.9K638 I642K638-K640 PolarHBondContact O-N 3.27Å; K640-I642 PolarHBondContact O-N 2.86Å
641K29.3Very low36.8Very low190 Ų190143.3 Ų143.383%0.82672%0.723SS**  trans-53.1111162.9-82.9-179175178.80107.2V639 I643V639-K641 PolarHBondContact O-N 2.86Å; K641-I643 PolarHBondContact O-N 2.79Å; K641-I643 VanDerWaalsContact O-N 3.17Å
642I29.1Very low37.8Very low156 Ų156135.7 Ų135.780%0.869%0.693SS**  trans-52.1120.6160.7-64164.5000104.7K640 G644K640-I642 PolarHBondContact O-N 2.86Å; I642-G644 PolarHBondContact O-N 3.24Å
643I35.6Very low38.7Very low173 Ų173132.4 Ų132.489%0.88769%0.685SS**  trans-71.477.6167.2-58.5170.7000105K641K641-I643 PolarHBondContact O-N 2.79Å; K641-I643 VanDerWaalsContact O-N 3.17Å
644G34.1Very low40Very low46 Ų46125.8 Ų125.847%0.47466%0.659SS.*  trans-68.3145.5160.300000107.6I642 A646I642-G644 PolarHBondContact O-N 3.24Å; G644-A646 PolarHBondContact O-N 2.63Å; G644-A646 VanDerWaalsContact O-N 3.08Å
645I36.1Very low41.1Very low126 Ų126122.1 Ų122.165%0.64665%0.654SS**  trans-42.7120.5161.1-64.7169.4000106.8E647 F649I645-E647 PolarHBondContact O-N 3.35Å; I645-F649 HydrophobicContact CG2-CB 3.39Å; I645-F649 HydrophobicContact CG2-CG 4.49Å
646A43.4Very low41.9Very low47 Ų47122.8 Ų122.839%0.38865%0.652SS.*  trans-54.1139-178.400000109G644 Q648 F649G644-A646 PolarHBondContact O-N 2.63Å; G644-A646 VanDerWaalsContact O-N 3.08Å; A646-Q648 HydrophobicContact CB-CG 3.96Å; A646-Q648 PolarHBondContact O-N 2.86Å; A646-F649 HydrophobicContact CB-CD2 4Å; A646-F649 HydrophobicContact CB-CE2 4.39Å; A646-F649 PolarHBondContact O-N 3.04Å
647E46.9Very low43.2Very low184 Ų184118.7 Ų118.786%0.8663%0.625SS**G310 helixtrans-46.2-33.5-172.5-75.9-175.1148.700113.7I645 F649 K650I645-E647 PolarHBondContact O-N 3.35Å; E647-F649 PolarHBondContact O-N 3.04Å; E647-F649 VanDerWaalsContact O-N 3.12Å; E647-K650 PolarHBondContact O-N 3.19Å
648Q45.5Very low44.2Very low105 Ų105121.5 Ų121.549%0.49164%0.636SS.*G310 helixtrans-61.1-12.4175.267.1-166.10.300116.7A646 K680A646-Q648 HydrophobicContact CB-CG 3.96Å; A646-Q648 PolarHBondContact O-N 2.86Å; Q648-K680 PolarHBondContact O-NZ 3.03Å
649F43.3Very low45.4Very low108 Ų108117 Ų11747%0.47462%0.616SS.*G310 helixtrans-116.53.6180-63-72.1000113I645 A646 E647I645-F649 HydrophobicContact CG2-CB 3.39Å; I645-F649 HydrophobicContact CG2-CG 4.49Å; A646-F649 HydrophobicContact CB-CD2 4Å; A646-F649 HydrophobicContact CB-CE2 4.39Å; A646-F649 PolarHBondContact O-N 3.04Å; E647-F649 PolarHBondContact O-N 3.04Å; E647-F649 VanDerWaalsContact O-N 3.12Å
650K51Low47Very low151 Ų151115.9 Ų115.966%0.65761%0.609SS**SBendtrans-90.1125.3175.4-143.3177.1-177.3-172.40107.7E647E647-K650 PolarHBondContact O-N 3.19Å
651A53.2Low48.6Very low75 Ų75108.6 Ų108.662%0.6258%0.582SS**PPolyproline II helixtrans-64.6135.3172.300000109
652P55.4Low50.8Low28 Ų28103.8 Ų103.818%0.18257%0.566CS.*PPolyproline II helixtrans-64.3144174.825.9-32.4000110.3L654 E684P652-L654 HydrophobicContact CB-CD2 4.2Å; P652-L654 HydrophobicContact CB-CG 4.4Å; P652-L654 HydrophobicContact CG-CD1 4.41Å; P652-L654 HydrophobicContact CG-CD2 4.1Å; P652-L654 HydrophobicContact CG-CG 4.15Å; P652-L654 PolarHBondContact O-N 2.87Å; P652-E684 HydrophobicContact CG-CB 4.19Å; P652-E684 WeakPolarHBondContact CG-OE2 3.25Å
653D52.6Low53Low134 Ų13498.1 Ų98.172%0.71754%0.538SS*.  trans-79.196.4173.1-169.9-3.6000108.6S655D653-S655 VanDerWaalsContact C-N 3.3Å; D653-S655 WeakPolarHBondContact OD1-CB 3.15Å; D653-S655 PolarHBondContact OD1-N 2.96Å; D653-S655 PolarHBondContact OD1-OG 3.05Å
654L59Low55.1Low71 Ų7190 Ų9037%0.37250%0.496SS..  trans-89.69.4-175.6-60.6170.5000112.8P652 N656 I657 A688P652-L654 HydrophobicContact CB-CD2 4.2Å; P652-L654 HydrophobicContact CB-CG 4.4Å; P652-L654 HydrophobicContact CG-CD1 4.41Å; P652-L654 HydrophobicContact CG-CD2 4.1Å; P652-L654 HydrophobicContact CG-CG 4.15Å; P652-L654 PolarHBondContact O-N 2.87Å; L654-N656 PolarHBondContact O-N 3.39Å; L654-N656 VanDerWaalsContact O-N 3.16Å; L654-I657 HydrophobicContact CD2-CD1 3.52Å; L654-A688 HydrophobicContact CD2-CB 4.19Å
655S52.7Low57.2Low85 Ų8592.1 Ų92.159%0.59449%0.494SS*.THydrogen-bonded Turntrans-64.5-18.3-172.8550000115.2D653D653-S655 VanDerWaalsContact C-N 3.3Å; D653-S655 WeakPolarHBondContact OD1-CB 3.15Å; D653-S655 PolarHBondContact OD1-N 2.96Å; D653-S655 PolarHBondContact OD1-OG 3.05Å
656N49.4Very low59Low148 Ų14894 Ų9479%0.79151%0.506SS*.THydrogen-bonded Turntrans-114.613.6-174.1-75.7-27.3000115L654L654-N656 PolarHBondContact O-N 3.39Å; L654-N656 VanDerWaalsContact O-N 3.16Å
657I58.3Low60.8Low54 Ų5493.6 Ų93.628%0.27750%0.498SS..PPolyproline II helixtrans-96.7118.9-175.2-58.1-178.5000110.7L654 E689L654-I657 HydrophobicContact CD2-CD1 3.52Å; I657-E689 HydrophobicContact CG2-CB 4.46Å; I657-E689 HydrophobicContact CG2-CG 3.46Å; I657-E689 VanDerWaalsContact CG2-CG 3.46Å
658N54.7Low62.6Low142 Ų14286.9 Ų86.976%0.75947%0.467SS*.PPolyproline II helixtrans-83.6127.6175.5-69.8-29.2000110.4V660N658-V660 WeakPolarHBondContact O-CG2 3.48Å; N658-V660 PolarHBondContact O-N 3.2Å
659K61.5Low64.6Low106 Ų10681.9 Ų81.946%0.46144%0.443SS..PPolyproline II helixtrans-61.9120.6177.6-164.1-176.6-170.2-168.10110.3N662 E665K659-N662 WeakPolarHBondContact CE-OD1 3.42Å; K659-N662 PolarHBondContact NZ-OD1 3Å; K659-E665 IonicContact NZ-OE1 3.56Å; K659-E665 PolarHBondContact NZ-OE1 3.08Å
660V64.1Low66.7Low113 Ų11376.8 Ų76.869%0.68542%0.421SS*.  trans-100.9-26.8-177.6-177.20000111.6N658 E689N658-V660 WeakPolarHBondContact O-CG2 3.48Å; N658-V660 PolarHBondContact O-N 3.2Å; V660-E689 PolarHBondContact N-O 2.85Å
661S66.3Low68.3Low38 Ų3869.6 Ų69.627%0.26639%0.39SS..  trans-153.7161.8-177.2-163.90000111.7V663 E689 C690 G691S661-V663 WeakPolarHBondContact OG-CG2 3.41Å; S661-E689 PolarHBondContact N-O 3.15Å; S661-C690 CarbonylContact O-C 3.53Å; S661-C690 WeakPolarHBondContact O-CA 3.48Å; S661-C690 VanDerWaalsContact O-O 3.07Å; S661-G691 PolarHBondContact O-N 3.28Å
662N74.3Confident69.7Low89 Ų8966.6 Ų66.648%0.47636%0.363SS..  trans-110.923.9-179.2-67.35.8000112.9K659 F664 E665 C690K659-N662 WeakPolarHBondContact CE-OD1 3.42Å; K659-N662 PolarHBondContact NZ-OD1 3Å; N662-F664 PolarHBondContact O-N 3.45Å; N662-E665 HydrophobicContact CB-CB 4.42Å; N662-E665 PolarHBondContact ND2-OE2 3.22Å; N662-E665 PolarHBondContact O-N 3.34Å; N662-C690 CarbonylContact C-O 3.47Å
663V75.4Confident70.8Confident38 Ų3866.2 Ų66.223%0.2336%0.36CS..THydrogen-bonded Turntrans-64.6-27.9-173.8174.90000112.9S661 C690 K738S661-V663 WeakPolarHBondContact OG-CG2 3.41Å; V663-C690 PolarHBondContact N-O 2.85Å; V663-K738 VanDerWaalsContact CG2-O 3.24Å; V663-K738 WeakPolarHBondContact CG2-O 3.21Å
664F80.1Confident72Confident1 Ų160.5 Ų60.50%0.00433%0.333CS..THydrogen-bonded Turntrans-117.324.3-177.8-63.2-47000113.4N662 D666 V667 F669 C690 G691 G692 W730 L731 C734 F735 L740N662-F664 PolarHBondContact O-N 3.45Å; F664-D666 PolarHBondContact O-N 3.21Å; F664-V667 PolarHBondContact O-N 3.35Å; F664-V667 VanDerWaalsContact O-N 3.14Å; F664-F669 HydrophobicContact CB-CE2 3.97Å; F664-F669 AromaticContact CD1-CE2 3.98Å; F664-F669 HydrophobicContact CD1-CE2 3.98Å; F664-F669 AromaticContact CD1-CZ 3.72Å; F664-F669 HydrophobicContact CD1-CZ 3.72Å; F664-F669 HydrophobicContact CD2-CE2 4.5Å; F664-F669 HydrophobicContact CE1-CZ 4.03Å; F664-F669 AromaticContact CG-CE2 3.92Å; F664-F669 HydrophobicContact CG-CE2 3.92Å; F664-F669 HydrophobicContact CG-CZ 4.13Å; F664-C690 HydrophobicContact CD2-CB 3.51Å; F664-C690 HydrophobicContact CE2-CB 4.05Å; F664-C690 HydrophobicContact CG-CB 4.42Å; F664-C690 PolarHBondContact N-O 3.31Å; F664-G691 CarbonylContact O-C 3.31Å; F664-G692 WeakPolarHBondContact O-CA 3.07Å; F664-G692 PolarHBondContact O-N 3.19Å; F664-W730 HydrophobicContact CE1-CH2 4.48Å; F664-L731 HydrophobicContact CE2-CD1 4.49Å; F664-L731 HydrophobicContact CZ-CD1 4.39Å; F664-C734 HydrophobicContact CE1-CB 4.48Å; F664-C734 HydrophobicContact CZ-CB 3.74Å; F664-F735 HydrophobicContact CE2-CD1 4.26Å; F664-F735 AromaticContact CE2-CE1 3.81Å; F664-F735 HydrophobicContact CE2-CE1 3.81Å; F664-L740 HydrophobicContact CD1-CD1 4.14Å; F664-L740 HydrophobicContact CE1-CD1 3.62Å
665E77.7Confident72.8Confident92 Ų9258.2 Ų58.243%0.4332%0.322SS..THydrogen-bonded Turntrans-55.6130.4179.1-170.3152.1-122.300111.4K659 N662 V667K659-E665 IonicContact NZ-OE1 3.56Å; K659-E665 PolarHBondContact NZ-OE1 3.08Å; N662-E665 HydrophobicContact CB-CB 4.42Å; N662-E665 PolarHBondContact ND2-OE2 3.22Å; N662-E665 PolarHBondContact O-N 3.34Å; E665-V667 PolarHBondContact O-N 3.22Å
666D73.4Confident73.6Confident165 Ų16558.4 Ų58.488%0.88234%0.338SS*.THydrogen-bonded Turntrans61.717.3-176.8-56.6-37.7000116.5F664F664-D666 PolarHBondContact O-N 3.21Å
667V81.5Confident74.7Confident38 Ų3862.2 Ų62.223%0.2334%0.341CS..  trans-106.8127177.2-171.20000111.6F664 E665 F669 S693 Y703F664-V667 PolarHBondContact O-N 3.35Å; F664-V667 VanDerWaalsContact O-N 3.14Å; E665-V667 PolarHBondContact O-N 3.22Å; V667-F669 HydrophobicContact CB-CE2 3.72Å; V667-F669 HydrophobicContact CB-CZ 4.12Å; V667-F669 HydrophobicContact CG1-CD2 4.19Å; V667-F669 HydrophobicContact CG1-CE1 4.21Å; V667-F669 HydrophobicContact CG1-CE2 3.42Å; V667-F669 VanDerWaalsContact CG1-CE2 3.42Å; V667-F669 HydrophobicContact CG1-CZ 3.44Å; V667-F669 VanDerWaalsContact CG1-CZ 3.44Å; V667-S693 PolarHBondContact O-N 3.37Å; V667-S693 PolarHBondContact O-OG 3.28Å; V667-Y703 HydrophobicContact CG1-CD1 3.8Å; V667-Y703 HydrophobicContact CG1-CD2 4.29Å; V667-Y703 HydrophobicContact CG1-CG 3.61Å
668E85.5Confident75.7Confident44 Ų4463.3 Ų63.321%0.20634%0.342CS..EExtended strand (participates in β ladder)trans-96.2125.7178.7-173.2-175.289.700112.6S693 V695 T702 Y703E668-S693 VanDerWaalsContact CA-OG 3.25Å; E668-S693 WeakPolarHBondContact CA-OG 3.41Å; E668-S693 WeakPolarHBondContact CB-OG 3.36Å; E668-V695 HydrophobicContact CG-CB 4.43Å; E668-V695 HydrophobicContact CG-CG1 3.77Å; E668-V695 HydrophobicContact CG-CG2 3.87Å; E668-V695 WeakPolarHBondContact OE2-CG1 3.17Å; E668-T702 VanDerWaalsContact OE1-CA 3.31Å; E668-T702 WeakPolarHBondContact OE1-CA 3.42Å; E668-T702 WeakPolarHBondContact OE1-CB 3.44Å; E668-T702 PolarHBondContact OE1-N 2.83Å; E668-T702 PolarHBondContact OE1-OG1 2.93Å; E668-Y703 WeakPolarHBondContact O-CB 3.46Å; E668-Y703 PolarHBondContact O-N 3.49Å
669F88.1Confident77Confident0 Ų059.2 Ų59.20%032%0.324CS..EExtended strand (participates in β ladder)trans-116.6147.5178.8-63.7-88000112.2F664 V667 I687 S693 V694 V695 Y703 I706 W730F664-F669 HydrophobicContact CB-CE2 3.97Å; F664-F669 AromaticContact CD1-CE2 3.98Å; F664-F669 HydrophobicContact CD1-CE2 3.98Å; F664-F669 AromaticContact CD1-CZ 3.72Å; F664-F669 HydrophobicContact CD1-CZ 3.72Å; F664-F669 HydrophobicContact CD2-CE2 4.5Å; F664-F669 HydrophobicContact CE1-CZ 4.03Å; F664-F669 AromaticContact CG-CE2 3.92Å; F664-F669 HydrophobicContact CG-CE2 3.92Å; F664-F669 HydrophobicContact CG-CZ 4.13Å; V667-F669 HydrophobicContact CB-CE2 3.72Å; V667-F669 HydrophobicContact CB-CZ 4.12Å; V667-F669 HydrophobicContact CG1-CD2 4.19Å; V667-F669 HydrophobicContact CG1-CE1 4.21Å; V667-F669 HydrophobicContact CG1-CE2 3.42Å; V667-F669 VanDerWaalsContact CG1-CE2 3.42Å; V667-F669 HydrophobicContact CG1-CZ 3.44Å; V667-F669 VanDerWaalsContact CG1-CZ 3.44Å; F669-I687 HydrophobicContact CB-CD1 4.15Å; F669-I687 HydrophobicContact CB-CG2 4.48Å; F669-I687 HydrophobicContact CD2-CG2 3.7Å; F669-I687 HydrophobicContact CE2-CG2 4.32Å; F669-I687 HydrophobicContact CG-CD1 4.44Å; F669-I687 HydrophobicContact CG-CG2 4.34Å; F669-S693 PolarHBondContact N-O 3.41Å; F669-V694 CarbonylContact O-C 3.04Å; F669-V694 WeakPolarHBondContact O-CA 3.45Å; F669-V695 PolarHBondContact O-N 2.85Å; F669-Y703 AromaticContact CE1-CD1 3.88Å; F669-Y703 HydrophobicContact CE1-CD1 3.88Å; F669-Y703 HydrophobicContact CZ-CD1 4.27Å; F669-I706 HydrophobicContact CD1-CD1 4.49Å; F669-I706 HydrophobicContact CD1-CG1 4.36Å; F669-W730 HydrophobicContact CE1-CH2 4.06Å; F669-W730 AromaticContact CE1-CZ3 3.96Å; F669-W730 HydrophobicContact CE1-CZ3 3.96Å
670C86.1Confident77.9Confident0 Ų055.4 Ų55.40%031%0.308CS..EExtended strand (participates in β ladder)trans-118.7110.2171.8-1660000111.3M672 V695 P698 T702 C704 V705 I706C670-M672 HydrophobicContact CB-CE 4.44Å; C670-M672 WeakPolarHBondContact SG-CE 3.36Å; C670-V695 HydrophobicContact CB-CG2 3.85Å; C670-V695 PolarHBondContact SG-O 3.02Å; C670-P698 HydrophobicContact CB-CB 4.39Å; C670-T702 HydrophobicContact CB-CG2 3.81Å; C670-C704 PolarHBondContact N-O 3.04Å; C670-V705 HydrophobicContact CB-CG2 4.37Å; C670-V705 CarbonylContact O-C 3.43Å; C670-V705 WeakPolarHBondContact O-CA 3.35Å; C670-I706 PolarHBondContact O-N 3.42Å
671V86Confident78.6Confident1 Ų152.8 Ų52.81%0.00630%0.295CS..EExtended strand (participates in β ladder)trans-94.5114.7-178.5-171.20000110.5K680 L683 E684 I687 I706V671-K680 HydrophobicContact CG1-CG 4.06Å; V671-K680 WeakPolarHBondContact O-CE 3.46Å; V671-K680 PolarHBondContact O-NZ 3.46Å; V671-L683 HydrophobicContact CG1-CB 4.32Å; V671-L683 HydrophobicContact CG1-CD1 4.29Å; V671-E684 HydrophobicContact CB-CG 3.91Å; V671-E684 HydrophobicContact CG1-CG 4.47Å; V671-E684 HydrophobicContact CG2-CG 3.9Å; V671-I687 HydrophobicContact CG2-CD1 3.61Å; V671-I706 HydrophobicContact CG2-CB 4.36Å
672M81.4Confident79.3Confident11 Ų1155.5 Ų55.55%0.05430%0.303CS..EExtended strand (participates in β ladder)trans-88.4-40.6-176.7-71.9-66.5155.200113.1C670 P698 V705 I706 V707 V714 I717C670-M672 HydrophobicContact CB-CE 4.44Å; C670-M672 WeakPolarHBondContact SG-CE 3.36Å; M672-P698 HydrophobicContact CE-CG 4.38Å; M672-V705 HydrophobicContact CE-CG1 4.12Å; M672-V705 HydrophobicContact CG-CG1 3.47Å; M672-V705 VanDerWaalsContact CG-CG1 3.47Å; M672-I706 PolarHBondContact N-O 3.3Å; M672-V707 HydrophobicContact CB-CG2 4.31Å; M672-V714 HydrophobicContact CB-CG2 4.01Å; M672-V714 HydrophobicContact CG-CG2 4.38Å; M672-I717 HydrophobicContact CE-CD1 3.54Å; M672-I717 HydrophobicContact CG-CD1 4.16Å; M672-I717 HydrophobicContact SD-CD1 3.8Å
673T79.6Confident79.6Confident21 Ų2151.2 Ų51.213%0.12928%0.28CS..EExtended strand (participates in β ladder)trans-152.3141.2-17453.10000110.3G708 T709 N711T673-G708 PolarHBondContact O-N 3.38Å; T673-G708 PolarHBondContact OG1-N 3.19Å; T673-T709 WeakPolarHBondContact CG2-O 3.44Å; T673-T709 PolarHBondContact OG1-N 2.77Å; T673-T709 PolarHBondContact OG1-O 2.85Å; T673-N711 WeakPolarHBondContact CG2-ND2 3.4Å
674G76.4Confident80.1Confident14 Ų1449.6 Ų49.614%0.14427%0.27CS..  trans-68.8173.2169.300000113.2Y678 G708 T709G674-Y678 CarbonylContact C-O 3.59Å; G674-Y678 VanDerWaalsContact CA-O 3.23Å; G674-Y678 WeakPolarHBondContact CA-O 3.48Å; G674-G708 CarbonylContact O-C 3.05Å; G674-G708 WeakPolarHBondContact O-CA 3.47Å; G674-T709 PolarHBondContact O-OG1 2.98Å
675T75.4Confident80.1Confident23 Ų2351 Ų5114%0.14128%0.28CS..  trans-91.9167.1167.461.90000109.2R677 Y678 A728T675-R677 PolarHBondContact O-N 3.2Å; T675-R677 PolarHBondContact OG1-N 3.38Å; T675-Y678 PolarHBondContact N-O 3.04Å; T675-Y678 CarbonylContact O-C 3.57Å; T675-Y678 PolarHBondContact O-N 3.08Å; T675-Y678 PolarHBondContact OG1-N 3.42Å; T675-A728 HydrophobicContact CG2-CB 3.48Å; T675-A728 VanDerWaalsContact CG2-CB 3.48Å
676G70.3Confident80.3Confident89 Ų8949.6 Ų49.692%0.91827%0.272SS*.SBendtrans-59.1-14.9173.900000114.6
677R73.6Confident80.8Confident228 Ų22841.8 Ų41.886%0.8623%0.23SC*.SBendtrans-105.7-24178.3-62.2-171.1-165.2-162.85.1114.6T675T675-R677 PolarHBondContact O-N 3.2Å; T675-R677 PolarHBondContact OG1-N 3.38Å
678Y78.4Confident80.8Confident76 Ų7641.1 Ų41.130%0.29823%0.229SC..SBendtrans-129.6122.9-179.3-66.5-78.3000109.7G674 T675 E682 L683 L732G674-Y678 CarbonylContact C-O 3.59Å; G674-Y678 VanDerWaalsContact CA-O 3.23Å; G674-Y678 WeakPolarHBondContact CA-O 3.48Å; T675-Y678 PolarHBondContact N-O 3.04Å; T675-Y678 CarbonylContact O-C 3.57Å; T675-Y678 PolarHBondContact O-N 3.08Å; T675-Y678 PolarHBondContact OG1-N 3.42Å; Y678-E682 WeakPolarHBondContact CA-OE2 3.39Å; Y678-L683 HydrophobicContact CG-CD2 4.33Å; Y678-L732 HydrophobicContact CD2-CD1 3.94Å; Y678-L732 HydrophobicContact CD2-CD2 3.63Å; Y678-L732 HydrophobicContact CD2-CG 4.44Å; Y678-L732 HydrophobicContact CE2-CD1 3.9Å; Y678-L732 HydrophobicContact CE2-CD2 3.51Å; Y678-L732 HydrophobicContact CE2-CG 4.38Å; Y678-L732 HydrophobicContact CG-CD2 4.33Å
679S81.7Confident80.6Confident56 Ų5642.5 Ų42.539%0.39224%0.236SC..  trans-65.3160.3174.876.60000110.9S681 E682 L683S679-S681 VanDerWaalsContact C-N 3.28Å; S679-S681 PolarHBondContact O-N 3.05Å; S679-E682 PolarHBondContact N-OE2 3.49Å; S679-E682 PolarHBondContact O-N 3.46Å; S679-E682 VanDerWaalsContact OG-CG 3.27Å; S679-E682 WeakPolarHBondContact OG-CG 3.35Å; S679-E682 PolarHBondContact OG-N 2.88Å; S679-E682 PolarHBondContact OG-OE2 3.27Å; S679-L683 PolarHBondContact O-N 2.91Å
680K81.6Confident80.1Confident27 Ų2743.5 Ų43.512%0.11724%0.242CC..Hα-helixtrans-54.1-47.9175.7174.1178.5163.8175.50110.8Q648 V671 E682 L683 E684Q648-K680 PolarHBondContact O-NZ 3.03Å; V671-K680 HydrophobicContact CG1-CG 4.06Å; V671-K680 WeakPolarHBondContact O-CE 3.46Å; V671-K680 PolarHBondContact O-NZ 3.46Å; K680-E682 VanDerWaalsContact C-N 3.3Å; K680-E682 PolarHBondContact O-N 3.46Å; K680-L683 PolarHBondContact O-N 3.25Å; K680-E684 WeakPolarHBondContact CE-OE1 3.44Å; K680-E684 HydrophobicContact CG-CG 4.41Å; K680-E684 IonicContact NZ-OE1 3.21Å; K680-E684 VanDerWaalsContact O-CG 3.32Å; K680-E684 WeakPolarHBondContact O-CG 3.42Å; K680-E684 PolarHBondContact O-N 3.48Å; K680-E684 VanDerWaalsContact O-N 3.08Å
681S77.6Confident79.5Confident58 Ų5844.4 Ų44.441%0.40625%0.252SS..Hα-helixtrans-62.4-35.7-178.7-170.70000112.7S679 E684 S685S679-S681 VanDerWaalsContact C-N 3.28Å; S679-S681 PolarHBondContact O-N 3.05Å; S681-E684 PolarHBondContact O-N 3.13Å; S681-S685 PolarHBondContact O-N 3.43Å; S681-S685 PolarHBondContact O-OG 2.88Å; S681-S685 VanDerWaalsContact O-OG 3.12Å
682E80.3Confident79.3Confident94 Ų9444.8 Ų44.844%0.43926%0.256SS..Hα-helixtrans-69-36.1178-73.3166168.300112.5Y678 S679 K680 K686Y678-E682 WeakPolarHBondContact CA-OE2 3.39Å; S679-E682 PolarHBondContact N-OE2 3.49Å; S679-E682 PolarHBondContact O-N 3.46Å; S679-E682 VanDerWaalsContact OG-CG 3.27Å; S679-E682 WeakPolarHBondContact OG-CG 3.35Å; S679-E682 PolarHBondContact OG-N 2.88Å; S679-E682 PolarHBondContact OG-OE2 3.27Å; K680-E682 VanDerWaalsContact C-N 3.3Å; K680-E682 PolarHBondContact O-N 3.46Å; E682-K686 WeakPolarHBondContact O-CG 3.39Å; E682-K686 PolarHBondContact O-N 3.25Å; E682-K686 VanDerWaalsContact O-N 3.15Å
683L82Confident79.3Confident0 Ų047 Ų470%027%0.272CS..Hα-helixtrans-67.8-42.1174.2-65.5173.6000110.8V671 Y678 S679 K680 K686 I687 A728 L731 L732 F735V671-L683 HydrophobicContact CG1-CB 4.32Å; V671-L683 HydrophobicContact CG1-CD1 4.29Å; Y678-L683 HydrophobicContact CG-CD2 4.33Å; S679-L683 PolarHBondContact O-N 2.91Å; K680-L683 PolarHBondContact O-N 3.25Å; L683-K686 PolarHBondContact O-N 3.17Å; L683-I687 VanDerWaalsContact O-CG1 3.27Å; L683-I687 WeakPolarHBondContact O-CG1 3.45Å; L683-I687 PolarHBondContact O-N 3.48Å; L683-A728 HydrophobicContact CD1-CB 4.29Å; L683-L731 HydrophobicContact CB-CD2 4.4Å; L683-L731 HydrophobicContact CD2-CD2 4.09Å; L683-L732 HydrophobicContact CD2-CD2 4.13Å; L683-F735 HydrophobicContact CD2-CE2 4.49Å
684E84.9Confident79.5Confident4 Ų447.5 Ų47.52%0.01928%0.275CS..Hα-helixtrans-63.1-42.9177.4-64.1177.4146.900111.7P652 V671 K680 S681 K686 I687 A688 V694 Q696P652-E684 HydrophobicContact CG-CB 4.19Å; P652-E684 WeakPolarHBondContact CG-OE2 3.25Å; V671-E684 HydrophobicContact CB-CG 3.91Å; V671-E684 HydrophobicContact CG1-CG 4.47Å; V671-E684 HydrophobicContact CG2-CG 3.9Å; K680-E684 WeakPolarHBondContact CE-OE1 3.44Å; K680-E684 HydrophobicContact CG-CG 4.41Å; K680-E684 IonicContact NZ-OE1 3.21Å; K680-E684 VanDerWaalsContact O-CG 3.32Å; K680-E684 WeakPolarHBondContact O-CG 3.42Å; K680-E684 PolarHBondContact O-N 3.48Å; K680-E684 VanDerWaalsContact O-N 3.08Å; S681-E684 PolarHBondContact O-N 3.13Å; E684-K686 PolarHBondContact O-N 2.96Å; E684-I687 PolarHBondContact O-N 2.95Å; E684-A688 PolarHBondContact O-N 2.67Å; E684-A688 VanDerWaalsContact O-N 3.13Å; E684-V694 HydrophobicContact CB-CG1 4.04Å; E684-V694 HydrophobicContact CB-CG2 4.32Å; E684-V694 HydrophobicContact CG-CG1 3.62Å; E684-Q696 PolarHBondContact OE1-NE2 2.93Å
685S81.7Confident79.7Confident29 Ų2948.5 Ų48.520%0.20328%0.278CS..Hα-helixtrans-61.2-42.9174.7-65.50000112.6S681 A688 E689S681-S685 PolarHBondContact O-N 3.43Å; S681-S685 PolarHBondContact O-OG 2.88Å; S681-S685 VanDerWaalsContact O-OG 3.12Å; S685-A688 WeakPolarHBondContact O-CB 3.4Å; S685-A688 PolarHBondContact O-N 3.24Å; S685-E689 WeakPolarHBondContact O-CG 3.25Å; S685-E689 PolarHBondContact O-N 2.88Å
686K81.3Confident79.8Confident64 Ų6449.5 Ų49.528%0.27828%0.281SS..Hα-helixtrans-69.9-31.5179.3-74.9-175.4173.4-171.30113.8E682 L683 E684 A688 E689 C690 F735E682-K686 WeakPolarHBondContact O-CG 3.39Å; E682-K686 PolarHBondContact O-N 3.25Å; E682-K686 VanDerWaalsContact O-N 3.15Å; L683-K686 PolarHBondContact O-N 3.17Å; E684-K686 PolarHBondContact O-N 2.96Å; K686-A688 VanDerWaalsContact C-N 3.33Å; K686-E689 PolarHBondContact O-N 3.02Å; K686-C690 PolarHBondContact O-N 3.36Å; K686-C690 PolarHBondContact O-SG 2.79Å; K686-F735 HydrophobicContact CB-CD2 4.34Å; K686-F735 HydrophobicContact CB-CE1 3.9Å; K686-F735 HydrophobicContact CB-CE2 3.63Å; K686-F735 HydrophobicContact CB-CZ 3.38Å; K686-F735 HydrophobicContact CD-CD2 4.01Å; K686-F735 HydrophobicContact CD-CE2 3.89Å; K686-F735 HydrophobicContact CD-CZ 4.47Å; K686-F735 HydrophobicContact CG-CE2 4.44Å
687I83.7Confident80.2Confident0 Ų050.3 Ų50.30%027%0.265CS..Hα-helixtrans-63.5-44.6171.5-68.1165.8000109.5F669 V671 L683 E684 C690 G691 G692 V694 L731 F735F669-I687 HydrophobicContact CB-CD1 4.15Å; F669-I687 HydrophobicContact CB-CG2 4.48Å; F669-I687 HydrophobicContact CD2-CG2 3.7Å; F669-I687 HydrophobicContact CE2-CG2 4.32Å; F669-I687 HydrophobicContact CG-CD1 4.44Å; F669-I687 HydrophobicContact CG-CG2 4.34Å; V671-I687 HydrophobicContact CG2-CD1 3.61Å; L683-I687 VanDerWaalsContact O-CG1 3.27Å; L683-I687 WeakPolarHBondContact O-CG1 3.45Å; L683-I687 PolarHBondContact O-N 3.48Å; E684-I687 PolarHBondContact O-N 2.95Å; I687-C690 CarbonylContact O-C 3.54Å; I687-C690 PolarHBondContact O-N 3.34Å; I687-G691 PolarHBondContact O-N 3.04Å; I687-G692 PolarHBondContact O-N 2.89Å; I687-V694 HydrophobicContact CB-CG2 3.91Å; I687-V694 HydrophobicContact CD1-CG2 4.28Å; I687-V694 HydrophobicContact CG2-CG2 3.69Å; I687-L731 HydrophobicContact CD1-CD1 4.13Å; I687-L731 HydrophobicContact CD1-CD2 3.87Å; I687-L731 HydrophobicContact CG1-CD1 4.03Å; I687-L731 HydrophobicContact CG1-CD2 3.85Å; I687-L731 HydrophobicContact CG1-CG 4.43Å; I687-F735 HydrophobicContact CG1-CZ 4.1Å
688A81.5Confident80.5Confident24 Ų2440.9 Ų40.920%0.19823%0.233CC..Hα-helixtrans-64.7-39.9176.800000112.7L654 E684 S685 K686 C690 G691L654-A688 HydrophobicContact CD2-CB 4.19Å; E684-A688 PolarHBondContact O-N 2.67Å; E684-A688 VanDerWaalsContact O-N 3.13Å; S685-A688 WeakPolarHBondContact O-CB 3.4Å; S685-A688 PolarHBondContact O-N 3.24Å; K686-A688 VanDerWaalsContact C-N 3.33Å; A688-C690 PolarHBondContact O-N 3.33Å; A688-G691 PolarHBondContact O-N 3.49Å
689E80.7Confident80.5Confident74 Ų7438.2 Ų38.235%0.34623%0.229SC..Hα-helixtrans-58.8-30.9173.5-75.2174.9-174.800113I657 V660 S661 S685 K686I657-E689 HydrophobicContact CG2-CB 4.46Å; I657-E689 HydrophobicContact CG2-CG 3.46Å; I657-E689 VanDerWaalsContact CG2-CG 3.46Å; V660-E689 PolarHBondContact N-O 2.85Å; S661-E689 PolarHBondContact N-O 3.15Å; S685-E689 WeakPolarHBondContact O-CG 3.25Å; S685-E689 PolarHBondContact O-N 2.88Å; K686-E689 PolarHBondContact O-N 3.02Å
690C77.2Confident80.1Confident21 Ų2141.5 Ų41.514%0.14225%0.248CC..THydrogen-bonded Turntrans-92.17178.4-63.90000113.6S661 N662 V663 F664 K686 I687 A688S661-C690 CarbonylContact O-C 3.53Å; S661-C690 WeakPolarHBondContact O-CA 3.48Å; S661-C690 VanDerWaalsContact O-O 3.07Å; N662-C690 CarbonylContact C-O 3.47Å; V663-C690 PolarHBondContact N-O 2.85Å; F664-C690 HydrophobicContact CD2-CB 3.51Å; F664-C690 HydrophobicContact CE2-CB 4.05Å; F664-C690 HydrophobicContact CG-CB 4.42Å; F664-C690 PolarHBondContact N-O 3.31Å; K686-C690 PolarHBondContact O-N 3.36Å; K686-C690 PolarHBondContact O-SG 2.79Å; I687-C690 CarbonylContact O-C 3.54Å; I687-C690 PolarHBondContact O-N 3.34Å; A688-C690 PolarHBondContact O-N 3.33Å
691G74.1Confident80.1Confident19 Ų1946.4 Ų46.420%0.19628%0.276CS..THydrogen-bonded Turntrans89.77.4173.100000116.5S661 F664 I687 A688S661-G691 PolarHBondContact O-N 3.28Å; F664-G691 CarbonylContact O-C 3.31Å; I687-G691 PolarHBondContact O-N 3.04Å; A688-G691 PolarHBondContact O-N 3.49Å
692G82Confident80.4Confident9 Ų944.2 Ų44.29%0.09326%0.26CS..  trans-90.5155.317900000114F664 I687F664-G692 WeakPolarHBondContact O-CA 3.07Å; F664-G692 PolarHBondContact O-N 3.19Å; I687-G692 PolarHBondContact O-N 2.89Å
693S80.4Confident80.6Confident56 Ų5644.6 Ų44.639%0.39226%0.258SS..EExtended strand (participates in β ladder)trans-94.6145.9175.664.40000111.2V667 E668 F669V667-S693 PolarHBondContact O-N 3.37Å; V667-S693 PolarHBondContact O-OG 3.28Å; E668-S693 VanDerWaalsContact CA-OG 3.25Å; E668-S693 WeakPolarHBondContact CA-OG 3.41Å; E668-S693 WeakPolarHBondContact CB-OG 3.36Å; F669-S693 PolarHBondContact N-O 3.41Å
694V84Confident80.8Confident33 Ų3344.6 Ų44.620%0.226%0.259CS..EExtended strand (participates in β ladder)trans-122.6126.5-177177.70000110.5F669 E684 I687F669-V694 CarbonylContact O-C 3.04Å; F669-V694 WeakPolarHBondContact O-CA 3.45Å; E684-V694 HydrophobicContact CB-CG1 4.04Å; E684-V694 HydrophobicContact CB-CG2 4.32Å; E684-V694 HydrophobicContact CG-CG1 3.62Å; I687-V694 HydrophobicContact CB-CG2 3.91Å; I687-V694 HydrophobicContact CD1-CG2 4.28Å; I687-V694 HydrophobicContact CG2-CG2 3.69Å
695V81.9Confident80.9Confident34 Ų3444.5 Ų44.521%0.20626%0.258CS..EExtended strand (participates in β ladder)trans-113.4149.5175.2-67.10000112.6E668 F669 C670 N697E668-V695 HydrophobicContact CG-CB 4.43Å; E668-V695 HydrophobicContact CG-CG1 3.77Å; E668-V695 HydrophobicContact CG-CG2 3.87Å; E668-V695 WeakPolarHBondContact OE2-CG1 3.17Å; F669-V695 PolarHBondContact O-N 2.85Å; C670-V695 HydrophobicContact CB-CG2 3.85Å; C670-V695 PolarHBondContact SG-O 3.02Å; V695-N697 WeakPolarHBondContact CG2-O 3.5Å
696Q77.8Confident81.3Confident44 Ų4443.1 Ų43.121%0.20625%0.248CC..SBendtrans-85.9-15.9-179.4-64.4-58.5-43.600113.6E684 R713E684-Q696 PolarHBondContact OE1-NE2 2.93Å; Q696-R713 PolarHBondContact O-NH2 2.79Å; Q696-R713 VanDerWaalsContact O-NH2 3.14Å
697N78.7Confident81.5Confident107 Ų10740.1 Ų40.157%0.57224%0.236SC*.SBendtrans-138.4138.1173.9-68.2-63.6000108.5V695 G699 R713V695-N697 WeakPolarHBondContact CG2-O 3.5Å; N697-G699 PolarHBondContact O-N 3.38Å; N697-R713 PolarHBondContact OD1-NH2 2.86Å
698P79.4Confident81.3Confident30 Ų3041.1 Ų41.120%0.19525%0.246CC..  trans-68.5127.8178.828.1-33000110.5C670 M672 T702 V705 Y723C670-P698 HydrophobicContact CB-CB 4.39Å; M672-P698 HydrophobicContact CE-CG 4.38Å; P698-T702 WeakPolarHBondContact CA-OG1 3.18Å; P698-T702 HydrophobicContact CB-CG2 4.22Å; P698-V705 HydrophobicContact CB-CG2 4.07Å; P698-V705 HydrophobicContact CG-CG2 4.43Å; P698-Y723 HydrophobicContact CB-CD1 4.27Å; P698-Y723 HydrophobicContact CB-CD2 4.26Å; P698-Y723 HydrophobicContact CB-CE1 4.11Å; P698-Y723 HydrophobicContact CB-CE2 4.08Å; P698-Y723 HydrophobicContact CB-CG 4.34Å; P698-Y723 HydrophobicContact CG-CD2 4.25Å; P698-Y723 HydrophobicContact CG-CE2 4.04Å; P698-Y723 PolarHBondContact O-OH 2.81Å
699G77.6Confident81.1Confident20 Ų2044 Ų4421%0.20626%0.261CS..  trans-103.8-172.6174.400000111.9N697 D701 T702 Y723N697-G699 PolarHBondContact O-N 3.38Å; G699-D701 VanDerWaalsContact C-N 3.27Å; G699-D701 PolarHBondContact O-N 2.9Å; G699-T702 PolarHBondContact N-OG1 3.26Å; G699-Y723 WeakPolarHBondContact O-CE1 3.46Å; G699-Y723 PolarHBondContact O-OH 2.97Å
700P74.6Confident80.7Confident124 Ų12446.2 Ų46.281%0.80527%0.271SS*.THydrogen-bonded Turntrans-67-26.7176.727.3-33000113.4
701D80.2Confident80.5Confident130 Ų13047.8 Ų47.870%0.69528%0.278SS*.THydrogen-bonded Turntrans-95.21.5-176.5-53.7-49.7000113.3G699 Y703G699-D701 VanDerWaalsContact C-N 3.27Å; G699-D701 PolarHBondContact O-N 2.9Å; D701-Y703 PolarHBondContact O-N 3.44Å
702T84.8Confident80.1Confident13 Ų1352.1 Ų52.18%0.0830%0.301CS..EExtended strand (participates in β ladder)trans-71.4118.5-179.8-57.30000110.3E668 C670 P698 G699E668-T702 VanDerWaalsContact OE1-CA 3.31Å; E668-T702 WeakPolarHBondContact OE1-CA 3.42Å; E668-T702 WeakPolarHBondContact OE1-CB 3.44Å; E668-T702 PolarHBondContact OE1-N 2.83Å; E668-T702 PolarHBondContact OE1-OG1 2.93Å; C670-T702 HydrophobicContact CB-CG2 3.81Å; P698-T702 WeakPolarHBondContact CA-OG1 3.18Å; P698-T702 HydrophobicContact CB-CG2 4.22Å; G699-T702 PolarHBondContact N-OG1 3.26Å
703Y83.8Confident79.3Confident101 Ų10155.1 Ų55.140%0.39631%0.309SS..EExtended strand (participates in β ladder)trans-65.4-50.1-179.3-179.8-107.4000112.3V667 E668 F669 D701 W730 W743V667-Y703 HydrophobicContact CG1-CD1 3.8Å; V667-Y703 HydrophobicContact CG1-CD2 4.29Å; V667-Y703 HydrophobicContact CG1-CG 3.61Å; E668-Y703 WeakPolarHBondContact O-CB 3.46Å; E668-Y703 PolarHBondContact O-N 3.49Å; F669-Y703 AromaticContact CE1-CD1 3.88Å; F669-Y703 HydrophobicContact CE1-CD1 3.88Å; F669-Y703 HydrophobicContact CZ-CD1 4.27Å; D701-Y703 PolarHBondContact O-N 3.44Å; Y703-W730 HydrophobicContact CE1-CH2 4.45Å; Y703-W743 AromaticContact CD1-CZ2 3.98Å; Y703-W743 HydrophobicContact CD1-CZ2 3.98Å; Y703-W743 AromaticContact CE1-CE2 4Å; Y703-W743 HydrophobicContact CE1-CH2 4.03Å; Y703-W743 AromaticContact CE1-CZ2 3.31Å; Y703-W743 HydrophobicContact CE1-CZ2 3.31Å; Y703-W743 HydrophobicContact CE2-CH2 4.43Å; Y703-W743 HydrophobicContact CE2-CZ2 4.47Å; Y703-W743 AromaticContact CZ-CH2 3.94Å; Y703-W743 AromaticContact CZ-CZ2 3.6Å
704C86Confident79.2Confident1 Ų152.5 Ų52.51%0.00729%0.291CS..EExtended strand (participates in β ladder)trans-157.7161.4173.169.10000113.7C670 V726 W743C670-C704 PolarHBondContact N-O 3.04Å; C704-V726 HydrophobicContact CB-CG2 3.87Å; C704-W743 HydrophobicContact CB-CH2 4.12Å; C704-W743 HydrophobicContact CB-CZ2 3.73Å
705V87.8Confident78.9Confident1 Ų157 Ų571%0.00631%0.308CS..EExtended strand (participates in β ladder)trans-100.8118.7177.1-177.40000109.7C670 M672 P698 V707 I717 D724 V725 V726C670-V705 HydrophobicContact CB-CG2 4.37Å; C670-V705 CarbonylContact O-C 3.43Å; C670-V705 WeakPolarHBondContact O-CA 3.35Å; M672-V705 HydrophobicContact CE-CG1 4.12Å; M672-V705 HydrophobicContact CG-CG1 3.47Å; M672-V705 VanDerWaalsContact CG-CG1 3.47Å; P698-V705 HydrophobicContact CB-CG2 4.07Å; P698-V705 HydrophobicContact CG-CG2 4.43Å; V705-V707 HydrophobicContact CG1-CG2 4.35Å; V705-I717 HydrophobicContact CG1-CD1 4.49Å; V705-I717 HydrophobicContact CG2-CG2 4.45Å; V705-D724 PolarHBondContact N-O 3.25Å; V705-V725 HydrophobicContact CB-CG2 4.45Å; V705-V725 WeakPolarHBondContact O-CA 3.37Å; V705-V726 PolarHBondContact O-N 2.89Å
706I88.9Confident78.4Confident0 Ų060.4 Ų60.40%033%0.325CS..EExtended strand (participates in β ladder)trans-92.6129.3-178.2-54.5-59.7000111.1F669 C670 V671 M672 V726 A728 W730 L731F669-I706 HydrophobicContact CD1-CD1 4.49Å; F669-I706 HydrophobicContact CD1-CG1 4.36Å; C670-I706 PolarHBondContact O-N 3.42Å; V671-I706 HydrophobicContact CG2-CB 4.36Å; M672-I706 PolarHBondContact N-O 3.3Å; I706-V726 WeakPolarHBondContact CA-O 3.39Å; I706-V726 HydrophobicContact CD1-CB 4.1Å; I706-A728 HydrophobicContact CG2-CB 3.86Å; I706-W730 HydrophobicContact CD1-CE3 4.08Å; I706-W730 HydrophobicContact CD1-CZ3 4.08Å; I706-L731 HydrophobicContact CD1-CD1 4.44Å; I706-L731 HydrophobicContact CG1-CD1 4.49Å
707V86.1Confident78.4Confident2 Ų259.1 Ų59.11%0.01232%0.319CS..EExtended strand (participates in β ladder)trans-132.2117.7-177.3-179.20000110.9M672 V705 V714 V725 V726 K727 A728 I749M672-V707 HydrophobicContact CB-CG2 4.31Å; V705-V707 HydrophobicContact CG1-CG2 4.35Å; V707-V714 HydrophobicContact CB-CG2 4.45Å; V707-V714 HydrophobicContact CG1-CG1 4.18Å; V707-V714 HydrophobicContact CG1-CG2 3.87Å; V707-V714 HydrophobicContact CG2-CB 4.46Å; V707-V714 HydrophobicContact CG2-CG1 3.88Å; V707-V714 HydrophobicContact CG2-CG2 3.66Å; V707-V725 HydrophobicContact CB-CG1 4.29Å; V707-V725 HydrophobicContact CG2-CG1 3.44Å; V707-V725 VanDerWaalsContact CG2-CG1 3.44Å; V707-V726 PolarHBondContact N-O 3.24Å; V707-K727 WeakPolarHBondContact O-CA 3.17Å; V707-A728 PolarHBondContact O-N 3.25Å; V707-I749 HydrophobicContact CB-CD1 3.83Å; V707-I749 HydrophobicContact CG1-CD1 3.97Å
708G79.9Confident78.6Confident20 Ų2056.2 Ų56.221%0.20630%0.303CS..SBendtrans-90-29.2167.500000115.3T673 G674T673-G708 PolarHBondContact O-N 3.38Å; T673-G708 PolarHBondContact OG1-N 3.19Å; G674-G708 CarbonylContact O-C 3.05Å; G674-G708 WeakPolarHBondContact O-CA 3.47Å
709T77.3Confident78.5Confident85 Ų8558.8 Ų58.852%0.52133%0.327SS..SBendtrans-141.9130.3177.4-50.60000110.4T673 G674 N711T673-T709 WeakPolarHBondContact CG2-O 3.44Å; T673-T709 PolarHBondContact OG1-N 2.77Å; T673-T709 PolarHBondContact OG1-O 2.85Å; G674-T709 PolarHBondContact O-OG1 2.98Å; T709-N711 PolarHBondContact O-N 3.46Å
710E72Confident78.5Confident121 Ų12160.2 Ų60.257%0.56533%0.334SS*.  trans-67.6123.9-178.9-67.3-174.3-170.400112.5
711N73Confident78.8Confident53 Ų5358 Ų5828%0.28332%0.315SS..  trans-125.2174.5172.57321.7000111.3T673 T709 R713 V714 K715T673-N711 WeakPolarHBondContact CG2-ND2 3.4Å; T709-N711 PolarHBondContact O-N 3.46Å; N711-R713 PolarHBondContact O-N 2.97Å; N711-R713 WeakPolarHBondContact OD1-CA 3.45Å; N711-R713 WeakPolarHBondContact OD1-CB 3.42Å; N711-R713 PolarHBondContact OD1-N 2.87Å; N711-V714 PolarHBondContact O-N 2.87Å; N711-V714 WeakPolarHBondContact OD1-CG2 3.35Å; N711-V714 PolarHBondContact OD1-N 2.93Å; N711-K715 PolarHBondContact O-N 3.48Å
712V65.1Low78.8Confident110 Ų11059.3 Ų59.367%0.66732%0.315SS*.Hα-helixtrans-60.2-31.4-177.7-179.50000112.5K715 N716V712-K715 PolarHBondContact O-N 2.76Å; V712-N716 PolarHBondContact O-N 2.85Å; V712-N716 VanDerWaalsContact O-N 3.12Å
713R65.8Low78.8Confident72 Ų7261.3 Ų61.327%0.27232%0.321SS..Hα-helixtrans-72-39.3179.5-169.1175.3176.6-164.5-7.3111.7Q696 N697 N711 K715 N716 I717Q696-R713 PolarHBondContact O-NH2 2.79Å; Q696-R713 VanDerWaalsContact O-NH2 3.14Å; N697-R713 PolarHBondContact OD1-NH2 2.86Å; N711-R713 PolarHBondContact O-N 2.97Å; N711-R713 WeakPolarHBondContact OD1-CA 3.45Å; N711-R713 WeakPolarHBondContact OD1-CB 3.42Å; N711-R713 PolarHBondContact OD1-N 2.87Å; R713-K715 VanDerWaalsContact C-N 3.31Å; R713-K715 PolarHBondContact O-N 3.34Å; R713-N716 WeakPolarHBondContact O-CB 3.37Å; R713-N716 PolarHBondContact O-N 3.47Å; R713-I717 HydrophobicContact CG-CD1 4.49Å; R713-I717 WeakPolarHBondContact O-CG1 3.44Å; R713-I717 PolarHBondContact O-N 3.44Å
714V77.8Confident79Confident1 Ų157.2 Ų57.21%0.00631%0.306CS..Hα-helixtrans-59.9-43.8171.8174.60000110.2M672 V707 N711 N716 I717 I718 V725M672-V714 HydrophobicContact CB-CG2 4.01Å; M672-V714 HydrophobicContact CG-CG2 4.38Å; V707-V714 HydrophobicContact CB-CG2 4.45Å; V707-V714 HydrophobicContact CG1-CG1 4.18Å; V707-V714 HydrophobicContact CG1-CG2 3.87Å; V707-V714 HydrophobicContact CG2-CB 4.46Å; V707-V714 HydrophobicContact CG2-CG1 3.88Å; V707-V714 HydrophobicContact CG2-CG2 3.66Å; N711-V714 PolarHBondContact O-N 2.87Å; N711-V714 WeakPolarHBondContact OD1-CG2 3.35Å; N711-V714 PolarHBondContact OD1-N 2.93Å; V714-N716 VanDerWaalsContact C-N 3.27Å; V714-N716 PolarHBondContact O-N 3.03Å; V714-I717 PolarHBondContact O-N 3.34Å; V714-I717 VanDerWaalsContact O-N 3.09Å; V714-I718 HydrophobicContact CG1-CD1 3.78Å; V714-I718 HydrophobicContact CG1-CG1 4.28Å; V714-I718 VanDerWaalsContact O-CG1 3.29Å; V714-I718 WeakPolarHBondContact O-CG1 3.28Å; V714-I718 PolarHBondContact O-N 2.91Å; V714-V725 HydrophobicContact CG1-CG1 4.23Å
715K77.6Confident79.1Confident127 Ų12757.1 Ų57.155%0.55231%0.306SS*.Hα-helixtrans-60.1-36.1175.6-67.4-175.6179.1-177.80112.9N711 V712 R713 A719N711-K715 PolarHBondContact O-N 3.48Å; V712-K715 PolarHBondContact O-N 2.76Å; R713-K715 VanDerWaalsContact C-N 3.31Å; R713-K715 PolarHBondContact O-N 3.34Å; K715-A719 WeakPolarHBondContact O-CB 3.47Å; K715-A719 PolarHBondContact O-N 3.33Å
716N72.3Confident79.2Confident106 Ų10657.1 Ų57.157%0.56731%0.306SS*.Hα-helixtrans-69.5-36.5175.1-67.9-17.3000112.5V712 R713 V714 A719 S720V712-N716 PolarHBondContact O-N 2.85Å; V712-N716 VanDerWaalsContact O-N 3.12Å; R713-N716 WeakPolarHBondContact O-CB 3.37Å; R713-N716 PolarHBondContact O-N 3.47Å; V714-N716 VanDerWaalsContact C-N 3.27Å; V714-N716 PolarHBondContact O-N 3.03Å; N716-A719 PolarHBondContact O-N 3.2Å; N716-S720 PolarHBondContact O-N 2.87Å; N716-S720 VanDerWaalsContact O-N 3.13Å
717I77.1Confident79.2Confident18 Ų1860.5 Ų60.59%0.09232%0.32CS..Hα-helixtrans-68.6-44.1175.7-66.8164.6000110.3M672 V705 R713 V714 A719 S720 Y723 V725M672-I717 HydrophobicContact CE-CD1 3.54Å; M672-I717 HydrophobicContact CG-CD1 4.16Å; M672-I717 HydrophobicContact SD-CD1 3.8Å; V705-I717 HydrophobicContact CG1-CD1 4.49Å; V705-I717 HydrophobicContact CG2-CG2 4.45Å; R713-I717 HydrophobicContact CG-CD1 4.49Å; R713-I717 WeakPolarHBondContact O-CG1 3.44Å; R713-I717 PolarHBondContact O-N 3.44Å; V714-I717 PolarHBondContact O-N 3.34Å; V714-I717 VanDerWaalsContact O-N 3.09Å; I717-A719 VanDerWaalsContact C-N 3.29Å; I717-A719 PolarHBondContact O-N 2.89Å; I717-S720 VanDerWaalsContact O-CB 3.31Å; I717-S720 WeakPolarHBondContact O-CB 3.33Å; I717-S720 PolarHBondContact O-N 3.33Å; I717-S720 PolarHBondContact O-OG 2.61Å; I717-Y723 HydrophobicContact CG2-CD2 4.28Å; I717-V725 HydrophobicContact CG2-CG2 4.16Å
718I83.1Confident79.2Confident46 Ų4660.4 Ų60.424%0.23632%0.32CS..Hα-helixtrans-58.2-43.3173.4-67.3172.6000110.5V714 S720 N721 V725 I749 H750V714-I718 HydrophobicContact CG1-CD1 3.78Å; V714-I718 HydrophobicContact CG1-CG1 4.28Å; V714-I718 VanDerWaalsContact O-CG1 3.29Å; V714-I718 WeakPolarHBondContact O-CG1 3.28Å; V714-I718 PolarHBondContact O-N 2.91Å; I718-S720 PolarHBondContact O-N 3.25Å; I718-N721 PolarHBondContact O-N 2.78Å; I718-N721 VanDerWaalsContact O-N 3.14Å; I718-V725 HydrophobicContact CG1-CG2 4.02Å; I718-I749 HydrophobicContact CD1-CG2 3.9Å; I718-H750 HydrophobicContact CB-CB 4.39Å; I718-H750 HydrophobicContact CD1-CB 4.31Å; I718-H750 HydrophobicContact CG1-CB 3.78Å; I718-H750 HydrophobicContact CG2-CB 4.07Å; I718-H750 PolarHBondContact O-NE2 3Å
719A77.1Confident79.4Confident84 Ų8463.9 Ų63.969%0.69433%0.331SS*.Hα-helixtrans-65.2-21.9176.500000113.6K715 N716 I717 N721K715-A719 WeakPolarHBondContact O-CB 3.47Å; K715-A719 PolarHBondContact O-N 3.33Å; N716-A719 PolarHBondContact O-N 3.2Å; I717-A719 VanDerWaalsContact C-N 3.29Å; I717-A719 PolarHBondContact O-N 2.89Å; A719-N721 VanDerWaalsContact C-N 3.31Å
720S78.4Confident79.9Confident50 Ų5059.9 Ų59.935%0.3531%0.306SS..Hα-helixtrans-74.2-22.917681.60000112.9N716 I717 I718 K722N716-S720 PolarHBondContact O-N 2.87Å; N716-S720 VanDerWaalsContact O-N 3.13Å; I717-S720 VanDerWaalsContact O-CB 3.31Å; I717-S720 WeakPolarHBondContact O-CB 3.33Å; I717-S720 PolarHBondContact O-N 3.33Å; I717-S720 PolarHBondContact O-OG 2.61Å; I718-S720 PolarHBondContact O-N 3.25Å; S720-K722 WeakPolarHBondContact O-CG 3.02Å; S720-K722 PolarHBondContact O-N 2.78Å; S720-K722 VanDerWaalsContact O-N 3.16Å
721N80.3Confident80.6Confident78 Ų7854.1 Ų54.142%0.41728%0.279SS..THydrogen-bonded Turntrans54.728.5176.4-16172.6000114.6I718 A719 H750 P753I718-N721 PolarHBondContact O-N 2.78Å; I718-N721 VanDerWaalsContact O-N 3.14Å; A719-N721 VanDerWaalsContact C-N 3.31Å; N721-H750 PolarHBondContact OD1-CE1 3.24Å; N721-H750 PolarHBondContact OD1-NE2 2.8Å; N721-P753 WeakPolarHBondContact ND2-CG 3.48Å
722K80.5Confident81.1Confident157 Ų15753.2 Ų53.268%0.68327%0.274SS*.  trans-108.2-21.5-176.9-74.8-176.2-179.5-169.20114.9S720S720-K722 WeakPolarHBondContact O-CG 3.02Å; S720-K722 PolarHBondContact O-N 2.78Å; S720-K722 VanDerWaalsContact O-N 3.16Å
723Y84.9Confident81.9Confident54 Ų5451.3 Ų51.321%0.21226%0.258CS..SBendtrans-130145.3-170.3-57.5-72.2000110.5P698 G699 I717 H750P698-Y723 HydrophobicContact CB-CD1 4.27Å; P698-Y723 HydrophobicContact CB-CD2 4.26Å; P698-Y723 HydrophobicContact CB-CE1 4.11Å; P698-Y723 HydrophobicContact CB-CE2 4.08Å; P698-Y723 HydrophobicContact CB-CG 4.34Å; P698-Y723 HydrophobicContact CG-CD2 4.25Å; P698-Y723 HydrophobicContact CG-CE2 4.04Å; P698-Y723 PolarHBondContact O-OH 2.81Å; G699-Y723 WeakPolarHBondContact O-CE1 3.46Å; G699-Y723 PolarHBondContact O-OH 2.97Å; I717-Y723 HydrophobicContact CG2-CD2 4.28Å; Y723-H750 PolarHBondContact O-CD2 3.39Å
724D88.1Confident82.8Confident15 Ų1548 Ų488%0.0825%0.246CC..  trans-76.3126.8170.7-72.2-52.3000110.6V705 W743 M748 M751 C752 T755V705-D724 PolarHBondContact N-O 3.25Å; D724-W743 HydrophobicContact CB-CH2 4.1Å; D724-W743 HydrophobicContact CB-CZ3 4.24Å; D724-M748 HydrophobicContact CB-CE 3.91Å; D724-M751 VanDerWaalsContact OD1-CA 3.29Å; D724-M751 WeakPolarHBondContact OD1-CA 3.41Å; D724-C752 PolarHBondContact OD1-N 3.12Å; D724-C752 PolarHBondContact OD2-SG 3.1Å; D724-C752 VanDerWaalsContact OD2-SG 3.34Å; D724-T755 WeakPolarHBondContact OD1-CB 3.48Å; D724-T755 PolarHBondContact OD1-OG1 2.86Å; D724-T755 PolarHBondContact OD2-OG1 3.31Å
725V88.6Confident83Confident0 Ų049.6 Ų49.60%025%0.253CS..EExtended strand (participates in β ladder)trans-109.7113-178.4-172.90000108.9V705 V707 V714 I717 I718 I749 H750V705-V725 HydrophobicContact CB-CG2 4.45Å; V705-V725 WeakPolarHBondContact O-CA 3.37Å; V707-V725 HydrophobicContact CB-CG1 4.29Å; V707-V725 HydrophobicContact CG2-CG1 3.44Å; V707-V725 VanDerWaalsContact CG2-CG1 3.44Å; V714-V725 HydrophobicContact CG1-CG1 4.23Å; I717-V725 HydrophobicContact CG2-CG2 4.16Å; I718-V725 HydrophobicContact CG1-CG2 4.02Å; V725-I749 HydrophobicContact CB-CB 4.38Å; V725-I749 HydrophobicContact CG1-CB 4.11Å; V725-I749 HydrophobicContact CG1-CD1 4.39Å; V725-I749 PolarHBondContact O-N 2.71Å; V725-H750 HydrophobicContact CB-CB 4.01Å; V725-H750 HydrophobicContact CG2-CB 4.07Å; V725-H750 PolarHBondContact N-O 3.05Å; V725-H750 PolarHBondContact O-N 2.85Å
726V90.2Very high83.2Confident0 Ų051.2 Ų51.20%026%0.262CS..EExtended strand (participates in β ladder)trans-113.5142-171.2-1690000110.2C704 V705 I706 V707 W730 W743 F747 M748C704-V726 HydrophobicContact CB-CG2 3.87Å; V705-V726 PolarHBondContact O-N 2.89Å; I706-V726 WeakPolarHBondContact CA-O 3.39Å; I706-V726 HydrophobicContact CD1-CB 4.1Å; V707-V726 PolarHBondContact N-O 3.24Å; V726-W730 HydrophobicContact CG1-CB 3.9Å; V726-W730 HydrophobicContact CG1-CD2 4.14Å; V726-W730 HydrophobicContact CG1-CE3 4.06Å; V726-W730 HydrophobicContact CG1-CG 4.09Å; V726-W743 HydrophobicContact CG2-CZ2 4.22Å; V726-F747 HydrophobicContact CG1-CB 4.24Å; V726-F747 WeakPolarHBondContact CG1-O 3.3Å; V726-M748 HydrophobicContact CG1-SD 4.41Å; V726-M748 HydrophobicContact CG2-CE 4.2Å; V726-M748 HydrophobicContact CG2-SD 3.8Å
727K88.1Confident83.4Confident71 Ų7149.6 Ų49.631%0.30926%0.256SS..EExtended strand (participates in β ladder)trans-65.8139.8174.2-74.8-174.2-170.4162.90111.2V707 E729 W730 A746 F747 I749V707-K727 WeakPolarHBondContact O-CA 3.17Å; K727-E729 WeakPolarHBondContact CB-OE2 3.15Å; K727-E729 PolarHBondContact O-N 3.41Å; K727-E729 VanDerWaalsContact O-N 3.15Å; K727-W730 PolarHBondContact O-N 2.88Å; K727-A746 PolarHBondContact NZ-O 2.99Å; K727-F747 VanDerWaalsContact CB-O 3.31Å; K727-F747 WeakPolarHBondContact CB-O 3.46Å; K727-F747 WeakPolarHBondContact CG-O 3.34Å; K727-F747 PolarHBondContact N-O 3.23Å; K727-I749 HydrophobicContact CG-CD1 3.89Å; K727-I749 HydrophobicContact CG-CG1 3.55Å
728A86.6Confident83.4Confident0 Ų056.1 Ų56.10%028%0.284CS..Hα-helixtrans-62.2-21.517900000113.6T675 L683 I706 V707 W730 L731 L732T675-A728 HydrophobicContact CG2-CB 3.48Å; T675-A728 VanDerWaalsContact CG2-CB 3.48Å; L683-A728 HydrophobicContact CD1-CB 4.29Å; I706-A728 HydrophobicContact CG2-CB 3.86Å; V707-A728 PolarHBondContact O-N 3.25Å; A728-W730 VanDerWaalsContact C-N 3.26Å; A728-W730 PolarHBondContact O-N 3.2Å; A728-L731 WeakPolarHBondContact O-CB 3.42Å; A728-L731 PolarHBondContact O-N 2.94Å; A728-L731 VanDerWaalsContact O-N 3.15Å; A728-L732 PolarHBondContact O-N 3.35Å
729E84.3Confident83.1Confident93 Ų9360.3 Ų60.344%0.43530%0.304SS..Hα-helixtrans-57.6-35.5174.8-7178-177.400112.9K727 L731 L732 Q733K727-E729 WeakPolarHBondContact CB-OE2 3.15Å; K727-E729 PolarHBondContact O-N 3.41Å; K727-E729 VanDerWaalsContact O-N 3.15Å; E729-L731 VanDerWaalsContact C-N 3.35Å; E729-L731 PolarHBondContact O-N 3.31Å; E729-L732 PolarHBondContact O-N 3.12Å; E729-Q733 PolarHBondContact O-N 3.32Å; E729-Q733 VanDerWaalsContact O-N 3.08Å
730W87.7Confident83.2Confident1 Ų160.7 Ų60.70%0.00429%0.294CS..Hα-helixtrans-62.7-42.7175.6169.177.6000111.9F664 F669 Y703 I706 V726 K727 A728 L732 Q733 C734 L740 V741 W743 F747F664-W730 HydrophobicContact CE1-CH2 4.48Å; F669-W730 HydrophobicContact CE1-CH2 4.06Å; F669-W730 AromaticContact CE1-CZ3 3.96Å; F669-W730 HydrophobicContact CE1-CZ3 3.96Å; Y703-W730 HydrophobicContact CE1-CH2 4.45Å; I706-W730 HydrophobicContact CD1-CE3 4.08Å; I706-W730 HydrophobicContact CD1-CZ3 4.08Å; V726-W730 HydrophobicContact CG1-CB 3.9Å; V726-W730 HydrophobicContact CG1-CD2 4.14Å; V726-W730 HydrophobicContact CG1-CE3 4.06Å; V726-W730 HydrophobicContact CG1-CG 4.09Å; K727-W730 PolarHBondContact O-N 2.88Å; A728-W730 VanDerWaalsContact C-N 3.26Å; A728-W730 PolarHBondContact O-N 3.2Å; W730-L732 VanDerWaalsContact C-N 3.31Å; W730-L732 PolarHBondContact O-N 3.09Å; W730-Q733 PolarHBondContact O-N 3.4Å; W730-C734 VanDerWaalsContact CE2-SG 3.6Å; W730-C734 PolarHBondContact O-N 3.27Å; W730-C734 PolarHBondContact O-SG 3.44Å; W730-L740 HydrophobicContact CH2-CD1 4.11Å; W730-L740 HydrophobicContact CZ2-CD1 3.83Å; W730-V741 PolarHBondContact NE1-O 3.06Å; W730-W743 AromaticContact CE2-CD1 3.55Å; W730-W743 AromaticContact CE2-NE1 3.57Å; W730-W743 AromaticContact CH2-NE1 3.85Å; W730-W743 AromaticContact CZ2-CD1 3.82Å; W730-W743 AromaticContact CZ2-NE1 3.45Å; W730-W743 AromaticContact NE1-CD1 3.53Å; W730-F747 HydrophobicContact CB-CB 3.94Å; W730-F747 HydrophobicContact CB-CD1 4.01Å; W730-F747 HydrophobicContact CB-CD2 4.36Å; W730-F747 HydrophobicContact CB-CG 3.84Å; W730-F747 AromaticContact CD1-CD2 3.97Å; W730-F747 HydrophobicContact CG-CG 4.43Å
731L85.1Confident83.4Confident0 Ų059.3 Ų59.30%028%0.283CS..Hα-helixtrans-63.2-40.5178.4-162.389.1000110.9F664 L683 I687 I706 A728 E729 Q733 C734 F735F664-L731 HydrophobicContact CE2-CD1 4.49Å; F664-L731 HydrophobicContact CZ-CD1 4.39Å; L683-L731 HydrophobicContact CB-CD2 4.4Å; L683-L731 HydrophobicContact CD2-CD2 4.09Å; I687-L731 HydrophobicContact CD1-CD1 4.13Å; I687-L731 HydrophobicContact CD1-CD2 3.87Å; I687-L731 HydrophobicContact CG1-CD1 4.03Å; I687-L731 HydrophobicContact CG1-CD2 3.85Å; I687-L731 HydrophobicContact CG1-CG 4.43Å; I706-L731 HydrophobicContact CD1-CD1 4.44Å; I706-L731 HydrophobicContact CG1-CD1 4.49Å; A728-L731 WeakPolarHBondContact O-CB 3.42Å; A728-L731 PolarHBondContact O-N 2.94Å; A728-L731 VanDerWaalsContact O-N 3.15Å; E729-L731 VanDerWaalsContact C-N 3.35Å; E729-L731 PolarHBondContact O-N 3.31Å; L731-Q733 VanDerWaalsContact C-N 3.31Å; L731-Q733 PolarHBondContact O-N 2.9Å; L731-C734 WeakPolarHBondContact O-CB 3.21Å; L731-C734 PolarHBondContact O-N 3.4Å; L731-F735 HydrophobicContact CD1-CZ 4.39Å; L731-F735 HydrophobicContact CD2-CE1 4.44Å; L731-F735 HydrophobicContact CD2-CE2 3.46Å; L731-F735 VanDerWaalsContact CD2-CE2 3.46Å; L731-F735 HydrophobicContact CD2-CZ 3.39Å; L731-F735 HydrophobicContact CG-CD2 4.49Å; L731-F735 HydrophobicContact CG-CE1 4.21Å; L731-F735 HydrophobicContact CG-CE2 3.73Å; L731-F735 HydrophobicContact CG-CZ 3.56Å; L731-F735 VanDerWaalsContact O-CD2 3.3Å; L731-F735 WeakPolarHBondContact O-CD2 3.22Å; L731-F735 VanDerWaalsContact O-CG 3.25Å; L731-F735 WeakPolarHBondContact O-CG 3.28Å; L731-F735 PolarHBondContact O-N 3.24Å
732L84.3Confident83.4Confident34 Ų3460.1 Ų60.118%0.17829%0.293CS..Hα-helixtrans-63.1-37.5175.9-63.7177.2000112.1Y678 L683 A728 E729 W730 F735 Q736Y678-L732 HydrophobicContact CD2-CD1 3.94Å; Y678-L732 HydrophobicContact CD2-CD2 3.63Å; Y678-L732 HydrophobicContact CD2-CG 4.44Å; Y678-L732 HydrophobicContact CE2-CD1 3.9Å; Y678-L732 HydrophobicContact CE2-CD2 3.51Å; Y678-L732 HydrophobicContact CE2-CG 4.38Å; Y678-L732 HydrophobicContact CG-CD2 4.33Å; L683-L732 HydrophobicContact CD2-CD2 4.13Å; A728-L732 PolarHBondContact O-N 3.35Å; E729-L732 PolarHBondContact O-N 3.12Å; W730-L732 VanDerWaalsContact C-N 3.31Å; W730-L732 PolarHBondContact O-N 3.09Å; L732-F735 HydrophobicContact CD2-CD2 4.14Å; L732-F735 PolarHBondContact O-N 3.28Å; L732-Q736 WeakPolarHBondContact O-CG 3.16Å; L732-Q736 PolarHBondContact O-N 2.64Å
733Q82.6Confident83.5Confident71 Ų7154.6 Ų54.633%0.33227%0.268SS..Hα-helixtrans-69.1-37.6176.1-164.4175.8-13.600111.9E729 W730 L731 F735 Q736 T737 V741E729-Q733 PolarHBondContact O-N 3.32Å; E729-Q733 VanDerWaalsContact O-N 3.08Å; W730-Q733 PolarHBondContact O-N 3.4Å; L731-Q733 VanDerWaalsContact C-N 3.31Å; L731-Q733 PolarHBondContact O-N 2.9Å; Q733-F735 VanDerWaalsContact C-N 3.34Å; Q733-Q736 PolarHBondContact O-N 3.37Å; Q733-T737 WeakPolarHBondContact O-CB 3.39Å; Q733-T737 WeakPolarHBondContact O-CG2 3.5Å; Q733-T737 PolarHBondContact O-N 2.95Å; Q733-T737 PolarHBondContact O-OG1 3.12Å; Q733-V741 HydrophobicContact CG-CG2 4.18Å
734C83.6Confident83.3Confident2 Ų255.5 Ų55.51%0.01427%0.274CS..Hα-helixtrans-62.7-40.8172.2-630000111.5F664 W730 L731 Q736 T737 K738 M739F664-C734 HydrophobicContact CE1-CB 4.48Å; F664-C734 HydrophobicContact CZ-CB 3.74Å; W730-C734 VanDerWaalsContact CE2-SG 3.6Å; W730-C734 PolarHBondContact O-N 3.27Å; W730-C734 PolarHBondContact O-SG 3.44Å; L731-C734 WeakPolarHBondContact O-CB 3.21Å; L731-C734 PolarHBondContact O-N 3.4Å; C734-Q736 PolarHBondContact O-N 2.85Å; C734-T737 PolarHBondContact O-OG1 3.28Å; C734-K738 WeakPolarHBondContact O-CA 3.44Å; C734-K738 PolarHBondContact O-N 3Å; C734-M739 WeakPolarHBondContact CA-O 3.43Å
735F82.4Confident82.8Confident35 Ų3555.7 Ų55.715%0.15428%0.276CS..Hα-helixtrans-64.6-39175.2-62.2-34.3000113.1F664 L683 K686 I687 L731 L732 Q733F664-F735 HydrophobicContact CE2-CD1 4.26Å; F664-F735 AromaticContact CE2-CE1 3.81Å; F664-F735 HydrophobicContact CE2-CE1 3.81Å; L683-F735 HydrophobicContact CD2-CE2 4.49Å; K686-F735 HydrophobicContact CB-CD2 4.34Å; K686-F735 HydrophobicContact CB-CE1 3.9Å; K686-F735 HydrophobicContact CB-CE2 3.63Å; K686-F735 HydrophobicContact CB-CZ 3.38Å; K686-F735 HydrophobicContact CD-CD2 4.01Å; K686-F735 HydrophobicContact CD-CE2 3.89Å; K686-F735 HydrophobicContact CD-CZ 4.47Å; K686-F735 HydrophobicContact CG-CE2 4.44Å; I687-F735 HydrophobicContact CG1-CZ 4.1Å; L731-F735 HydrophobicContact CD1-CZ 4.39Å; L731-F735 HydrophobicContact CD2-CE1 4.44Å; L731-F735 HydrophobicContact CD2-CE2 3.46Å; L731-F735 VanDerWaalsContact CD2-CE2 3.46Å; L731-F735 HydrophobicContact CD2-CZ 3.39Å; L731-F735 HydrophobicContact CG-CD2 4.49Å; L731-F735 HydrophobicContact CG-CE1 4.21Å; L731-F735 HydrophobicContact CG-CE2 3.73Å; L731-F735 HydrophobicContact CG-CZ 3.56Å; L731-F735 VanDerWaalsContact O-CD2 3.3Å; L731-F735 WeakPolarHBondContact O-CD2 3.22Å; L731-F735 VanDerWaalsContact O-CG 3.25Å; L731-F735 WeakPolarHBondContact O-CG 3.28Å; L731-F735 PolarHBondContact O-N 3.24Å; L732-F735 HydrophobicContact CD2-CD2 4.14Å; L732-F735 PolarHBondContact O-N 3.28Å; Q733-F735 VanDerWaalsContact C-N 3.34Å
736Q81.3Confident82.2Confident161 Ų16156.6 Ų56.675%0.75228%0.283SS*.Hα-helixtrans-70.7-41.3-179.9-75.7176.3-300112.5L732 Q733 C734L732-Q736 WeakPolarHBondContact O-CG 3.16Å; L732-Q736 PolarHBondContact O-N 2.64Å; Q733-Q736 PolarHBondContact O-N 3.37Å; C734-Q736 PolarHBondContact O-N 2.85Å
737T77.9Confident81.9Confident72 Ų7257.9 Ų57.944%0.44229%0.289SS..Hα-helixtrans-84-14.1-178.755.20000113Q733 C734 M739Q733-T737 WeakPolarHBondContact O-CB 3.39Å; Q733-T737 WeakPolarHBondContact O-CG2 3.5Å; Q733-T737 PolarHBondContact O-N 2.95Å; Q733-T737 PolarHBondContact O-OG1 3.12Å; C734-T737 PolarHBondContact O-OG1 3.28Å; T737-M739 PolarHBondContact O-N 2.79Å; T737-M739 PolarHBondContact OG1-O 2.86Å
738K75.7Confident81.6Confident155 Ų15555.2 Ų55.267%0.67428%0.278SS*.THydrogen-bonded Turntrans53.229.3-172.6-59.3-174177.4-175.50113.1V663 C734V663-K738 VanDerWaalsContact CG2-O 3.24Å; V663-K738 WeakPolarHBondContact CG2-O 3.21Å; C734-K738 WeakPolarHBondContact O-CA 3.44Å; C734-K738 PolarHBondContact O-N 3Å
739M77.8Confident81.5Confident134 Ų13457.5 Ų57.566%0.6629%0.29SS*.SBendtrans-139.6155.5177.8-71.3-170.76500109.9C734 T737 V741C734-M739 WeakPolarHBondContact CA-O 3.43Å; T737-M739 PolarHBondContact O-N 2.79Å; T737-M739 PolarHBondContact OG1-O 2.86Å; M739-V741 PolarHBondContact O-N 3.5Å
740L79.3Confident81.5Confident92 Ų9254.6 Ų54.648%0.48228%0.276SS..  trans-72.3107.3173.6-173.270.3000109.4F664 W730F664-L740 HydrophobicContact CD1-CD1 4.14Å; F664-L740 HydrophobicContact CE1-CD1 3.62Å; W730-L740 HydrophobicContact CH2-CD1 4.11Å; W730-L740 HydrophobicContact CZ2-CD1 3.83Å
741V82.4Confident81.4Confident20 Ų2057 Ų5712%0.12129%0.288CS..PPolyproline II helixtrans-77.3129.6177.1-176.70000108.9W730 Q733 M739W730-V741 PolarHBondContact NE1-O 3.06Å; Q733-V741 HydrophobicContact CG-CG2 4.18Å; M739-V741 PolarHBondContact O-N 3.5Å
742P80.1Confident81.4Confident96 Ų9657.8 Ų57.862%0.62329%0.293SS*.PPolyproline II helixtrans-61.3147.7176.625-33.2000111.2
743W83.4Confident81.3Confident41 Ų4159.5 Ų59.516%0.15531%0.306CS..PPolyproline II helixtrans-65.7143.3177.6-70.6-17.2000111.3Y703 C704 D724 V726 W730 M748 T755 F759Y703-W743 AromaticContact CD1-CZ2 3.98Å; Y703-W743 HydrophobicContact CD1-CZ2 3.98Å; Y703-W743 AromaticContact CE1-CE2 4Å; Y703-W743 HydrophobicContact CE1-CH2 4.03Å; Y703-W743 AromaticContact CE1-CZ2 3.31Å; Y703-W743 HydrophobicContact CE1-CZ2 3.31Å; Y703-W743 HydrophobicContact CE2-CH2 4.43Å; Y703-W743 HydrophobicContact CE2-CZ2 4.47Å; Y703-W743 AromaticContact CZ-CH2 3.94Å; Y703-W743 AromaticContact CZ-CZ2 3.6Å; C704-W743 HydrophobicContact CB-CH2 4.12Å; C704-W743 HydrophobicContact CB-CZ2 3.73Å; D724-W743 HydrophobicContact CB-CH2 4.1Å; D724-W743 HydrophobicContact CB-CZ3 4.24Å; V726-W743 HydrophobicContact CG2-CZ2 4.22Å; W730-W743 AromaticContact CE2-CD1 3.55Å; W730-W743 AromaticContact CE2-NE1 3.57Å; W730-W743 AromaticContact CH2-NE1 3.85Å; W730-W743 AromaticContact CZ2-CD1 3.82Å; W730-W743 AromaticContact CZ2-NE1 3.45Å; W730-W743 AromaticContact NE1-CD1 3.53Å; W743-M748 HydrophobicContact CB-SD 4.45Å; W743-M748 HydrophobicContact CD2-SD 4.31Å; W743-M748 HydrophobicContact CE3-CE 4.16Å; W743-M748 HydrophobicContact CE3-SD 4.47Å; W743-M748 HydrophobicContact CG-SD 4.32Å; W743-M748 HydrophobicContact CZ3-CE 4.44Å; W743-T755 HydrophobicContact CE3-CG2 4.29Å; W743-T755 HydrophobicContact CZ3-CG2 4.27Å; W743-F759 HydrophobicContact CB-CE2 4.27Å; W743-F759 HydrophobicContact CB-CZ 3.71Å; W743-F759 WeakPolarHBondContact O-CZ 3.48Å
744Q79.3Confident81.3Confident73 Ų7362.3 Ų62.334%0.34132%0.323SS..  trans-129.1152.2173.7-64.1-177.6-18.600108.7A746 F747Q744-A746 PolarHBondContact O-N 2.8Å; Q744-F747 HydrophobicContact CB-CD2 3.8Å; Q744-F747 HydrophobicContact CB-CE2 4.01Å; Q744-F747 HydrophobicContact CG-CD2 4.35Å; Q744-F747 HydrophobicContact CG-CE2 4.19Å; Q744-F747 PolarHBondContact O-N 2.85Å
745P77.6Confident81.3Confident18 Ų1863.2 Ų63.212%0.11733%0.329CS..G310 helixtrans-55.2-28.2180-25.735.1000113.5F747 M748 F759 Y763P745-F747 VanDerWaalsContact C-N 3.27Å; P745-F747 PolarHBondContact O-N 3.2Å; P745-M748 PolarHBondContact O-N 3Å; P745-F759 HydrophobicContact CG-CD1 3.67Å; P745-F759 HydrophobicContact CG-CE1 3.94Å; P745-Y763 HydrophobicContact CG-CD1 3.62Å; P745-Y763 HydrophobicContact CG-CD2 3.97Å; P745-Y763 HydrophobicContact CG-CE1 4.07Å; P745-Y763 HydrophobicContact CG-CE2 4.38Å; P745-Y763 HydrophobicContact CG-CG 3.57Å
746A76.6Confident81.4Confident19 Ų1968 Ų6816%0.15735%0.35CS..G310 helixtrans-63.5-29.7177.600000114.2K727 Q744 R785K727-A746 PolarHBondContact NZ-O 2.99Å; Q744-A746 PolarHBondContact O-N 2.8Å; A746-R785 VanDerWaalsContact CA-NH2 3.32Å
747F83.3Confident81.5Confident27 Ų2765.6 Ų65.612%0.11834%0.339CS..G310 helixtrans-88-11179.3-58.7-52.5000113.2V726 K727 W730 Q744 P745V726-F747 HydrophobicContact CG1-CB 4.24Å; V726-F747 WeakPolarHBondContact CG1-O 3.3Å; K727-F747 VanDerWaalsContact CB-O 3.31Å; K727-F747 WeakPolarHBondContact CB-O 3.46Å; K727-F747 WeakPolarHBondContact CG-O 3.34Å; K727-F747 PolarHBondContact N-O 3.23Å; W730-F747 HydrophobicContact CB-CB 3.94Å; W730-F747 HydrophobicContact CB-CD1 4.01Å; W730-F747 HydrophobicContact CB-CD2 4.36Å; W730-F747 HydrophobicContact CB-CG 3.84Å; W730-F747 AromaticContact CD1-CD2 3.97Å; W730-F747 HydrophobicContact CG-CG 4.43Å; Q744-F747 HydrophobicContact CB-CD2 3.8Å; Q744-F747 HydrophobicContact CB-CE2 4.01Å; Q744-F747 HydrophobicContact CG-CD2 4.35Å; Q744-F747 HydrophobicContact CG-CE2 4.19Å; Q744-F747 PolarHBondContact O-N 2.85Å; P745-F747 VanDerWaalsContact C-N 3.27Å; P745-F747 PolarHBondContact O-N 3.2Å
748M83.6Confident81.7Confident15 Ų1566.8 Ų66.87%0.07434%0.339CS..EExtended strand (participates in β ladder)trans-90.5131.4-176.5-56.6-57.5-81.600111.1D724 V726 W743 P745 M751 T755D724-M748 HydrophobicContact CB-CE 3.91Å; V726-M748 HydrophobicContact CG1-SD 4.41Å; V726-M748 HydrophobicContact CG2-CE 4.2Å; V726-M748 HydrophobicContact CG2-SD 3.8Å; W743-M748 HydrophobicContact CB-SD 4.45Å; W743-M748 HydrophobicContact CD2-SD 4.31Å; W743-M748 HydrophobicContact CE3-CE 4.16Å; W743-M748 HydrophobicContact CE3-SD 4.47Å; W743-M748 HydrophobicContact CG-SD 4.32Å; W743-M748 HydrophobicContact CZ3-CE 4.44Å; P745-M748 PolarHBondContact O-N 3Å; M748-M751 HydrophobicContact CB-CE 3.95Å; M748-M751 HydrophobicContact CB-CG 3.91Å; M748-M751 HydrophobicContact CE-CG 3.88Å; M748-M751 HydrophobicContact CG-CE 4.37Å; M748-M751 HydrophobicContact CG-CG 4.08Å; M748-T755 HydrophobicContact CE-CG2 4.12Å
749I83Confident82.1Confident49 Ų4960.1 Ų60.125%0.25131%0.31SS..EExtended strand (participates in β ladder)trans-93.4-39.8168-55.6-176.9000109.4V707 I718 V725 K727V707-I749 HydrophobicContact CB-CD1 3.83Å; V707-I749 HydrophobicContact CG1-CD1 3.97Å; I718-I749 HydrophobicContact CD1-CG2 3.9Å; V725-I749 HydrophobicContact CB-CB 4.38Å; V725-I749 HydrophobicContact CG1-CB 4.11Å; V725-I749 HydrophobicContact CG1-CD1 4.39Å; V725-I749 PolarHBondContact O-N 2.71Å; K727-I749 HydrophobicContact CG-CD1 3.89Å; K727-I749 HydrophobicContact CG-CG1 3.55Å
750H85.1Confident82.3Confident32 Ų3256.6 Ų56.615%0.14830%0.302CS..EExtended strand (participates in β ladder)trans-147.6138.4175.9176.971.8000109.8I718 N721 Y723 V725I718-H750 HydrophobicContact CB-CB 4.39Å; I718-H750 HydrophobicContact CD1-CB 4.31Å; I718-H750 HydrophobicContact CG1-CB 3.78Å; I718-H750 HydrophobicContact CG2-CB 4.07Å; I718-H750 PolarHBondContact O-NE2 3Å; N721-H750 PolarHBondContact OD1-CE1 3.24Å; N721-H750 PolarHBondContact OD1-NE2 2.8Å; Y723-H750 PolarHBondContact O-CD2 3.39Å; V725-H750 HydrophobicContact CB-CB 4.01Å; V725-H750 HydrophobicContact CG2-CB 4.07Å; V725-H750 PolarHBondContact N-O 3.05Å; V725-H750 PolarHBondContact O-N 2.85Å
751M85.7Confident82.5Confident52 Ų5260.4 Ų60.426%0.25631%0.31SS..  trans-114.1133.5177.7-56.7172.9-135.800108.6D724 M748 T755 K756 F759D724-M751 VanDerWaalsContact OD1-CA 3.29Å; D724-M751 WeakPolarHBondContact OD1-CA 3.41Å; M748-M751 HydrophobicContact CB-CE 3.95Å; M748-M751 HydrophobicContact CB-CG 3.91Å; M748-M751 HydrophobicContact CE-CG 3.88Å; M748-M751 HydrophobicContact CG-CE 4.37Å; M748-M751 HydrophobicContact CG-CG 4.08Å; M751-T755 HydrophobicContact CB-CG2 4.35Å; M751-T755 HydrophobicContact CG-CG2 4.48Å; M751-K756 HydrophobicContact CB-CB 4.04Å; M751-F759 HydrophobicContact SD-CB 4.17Å; M751-F759 HydrophobicContact SD-CD2 3.94Å; M751-F759 HydrophobicContact SD-CG 4.17Å
752C84.8Confident82.3Confident16 Ų1663.6 Ų63.611%0.10832%0.324CS..  trans-66.3164.6169.276.40000110.5D724 D754 T755 K756D724-C752 PolarHBondContact OD1-N 3.12Å; D724-C752 PolarHBondContact OD2-SG 3.1Å; D724-C752 VanDerWaalsContact OD2-SG 3.34Å; C752-D754 VanDerWaalsContact C-N 3.29Å; C752-D754 PolarHBondContact O-N 3.05Å; C752-T755 PolarHBondContact O-N 3.27Å; C752-T755 PolarHBondContact SG-OG1 3.01Å; C752-K756 WeakPolarHBondContact O-CB 3.37Å; C752-K756 PolarHBondContact O-N 3.18Å
753P82Confident82.4Confident70 Ų7061 Ų6146%0.45530%0.302SS..Hα-helixtrans-53.6-42-175.7-28.336.6000114.4N721 K756 E757N721-P753 WeakPolarHBondContact ND2-CG 3.48Å; P753-K756 PolarHBondContact O-N 3.32Å; P753-E757 PolarHBondContact O-N 2.94Å
754D82.8Confident82.3Confident129 Ų12961.1 Ų61.169%0.6931%0.306SS*.Hα-helixtrans-70.7-48.6-175.5-59.4-15.8000110.9C752 K756 E757 H758C752-D754 VanDerWaalsContact C-N 3.29Å; C752-D754 PolarHBondContact O-N 3.05Å; D754-K756 VanDerWaalsContact C-N 3.28Å; D754-K756 PolarHBondContact O-N 2.82Å; D754-E757 PolarHBondContact O-N 3.47Å; D754-H758 PolarHBondContact O-N 3.35Å
755T83.6Confident82Confident22 Ų2262.6 Ų62.614%0.13532%0.324CS..Hα-helixtrans-60.6-39.2174.6-59.50000111D724 W743 M748 M751 C752 E757 H758 F759D724-T755 WeakPolarHBondContact OD1-CB 3.48Å; D724-T755 PolarHBondContact OD1-OG1 2.86Å; D724-T755 PolarHBondContact OD2-OG1 3.31Å; W743-T755 HydrophobicContact CE3-CG2 4.29Å; W743-T755 HydrophobicContact CZ3-CG2 4.27Å; M748-T755 HydrophobicContact CE-CG2 4.12Å; M751-T755 HydrophobicContact CB-CG2 4.35Å; M751-T755 HydrophobicContact CG-CG2 4.48Å; C752-T755 PolarHBondContact O-N 3.27Å; C752-T755 PolarHBondContact SG-OG1 3.01Å; T755-E757 PolarHBondContact O-N 2.95Å; T755-H758 PolarHBondContact O-N 3.25Å; T755-F759 HydrophobicContact CG2-CD2 3.67Å; T755-F759 HydrophobicContact CG2-CE2 3.68Å; T755-F759 VanDerWaalsContact O-CD2 3.31Å; T755-F759 WeakPolarHBondContact O-CD2 3.48Å; T755-F759 PolarHBondContact O-N 3.5Å
756K83.8Confident82Confident135 Ų13566.7 Ų66.759%0.58734%0.338SS*.Hα-helixtrans-65-39.1177.2-172178.5-179-178.90112.6M751 C752 P753 D754 H758 A760M751-K756 HydrophobicContact CB-CB 4.04Å; C752-K756 WeakPolarHBondContact O-CB 3.37Å; C752-K756 PolarHBondContact O-N 3.18Å; P753-K756 PolarHBondContact O-N 3.32Å; D754-K756 VanDerWaalsContact C-N 3.28Å; D754-K756 PolarHBondContact O-N 2.82Å; K756-H758 VanDerWaalsContact C-N 3.35Å; K756-A760 WeakPolarHBondContact O-CB 3.44Å; K756-A760 PolarHBondContact O-N 2.86Å
757E83.5Confident81.8Confident110 Ų11066.6 Ų66.651%0.51434%0.339SS..Hα-helixtrans-67.1-39176-165-173.7149.100111.3P753 D754 T755 A760 R761P753-E757 PolarHBondContact O-N 2.94Å; D754-E757 PolarHBondContact O-N 3.47Å; T755-E757 PolarHBondContact O-N 2.95Å; E757-A760 PolarHBondContact O-N 3.01Å; E757-R761 IonicContact OE1-CZ 3.53Å; E757-R761 IonicContact OE1-NH2 3.9Å; E757-R761 PolarHBondContact OE1-NH2 3.43Å
758H83.4Confident81.7Confident97 Ų9767.5 Ų67.545%0.44935%0.345SS..Hα-helixtrans-62.7-51175.2-177.356.6000111.7D754 T755 K756 A760 R761 E762D754-H758 PolarHBondContact O-N 3.35Å; T755-H758 PolarHBondContact O-N 3.25Å; K756-H758 VanDerWaalsContact C-N 3.35Å; H758-A760 VanDerWaalsContact C-N 3.29Å; H758-A760 PolarHBondContact O-N 3.43Å; H758-R761 WeakPolarHBondContact O-CB 3.32Å; H758-R761 PolarHBondContact O-N 3.48Å; H758-R761 VanDerWaalsContact O-N 3.12Å; H758-E762 IonicContact CE1-OE1 3.39Å
759F82.6Confident81.6Confident15 Ų1567.7 Ų67.77%0.06635%0.348CS..Hα-helixtrans-61.2-34.5177.4-88-75.4000113W743 P745 M751 T755 R761 E762 Y763W743-F759 HydrophobicContact CB-CE2 4.27Å; W743-F759 HydrophobicContact CB-CZ 3.71Å; W743-F759 WeakPolarHBondContact O-CZ 3.48Å; P745-F759 HydrophobicContact CG-CD1 3.67Å; P745-F759 HydrophobicContact CG-CE1 3.94Å; M751-F759 HydrophobicContact SD-CB 4.17Å; M751-F759 HydrophobicContact SD-CD2 3.94Å; M751-F759 HydrophobicContact SD-CG 4.17Å; T755-F759 HydrophobicContact CG2-CD2 3.67Å; T755-F759 HydrophobicContact CG2-CE2 3.68Å; T755-F759 VanDerWaalsContact O-CD2 3.31Å; T755-F759 WeakPolarHBondContact O-CD2 3.48Å; T755-F759 PolarHBondContact O-N 3.5Å; F759-R761 PolarHBondContact O-N 3.15Å; F759-E762 PolarHBondContact O-N 3.46Å; F759-E762 VanDerWaalsContact O-N 3.15Å; F759-Y763 AromaticContact CD1-CD2 3.49Å; F759-Y763 HydrophobicContact CD1-CD2 3.49Å; F759-Y763 VanDerWaalsContact CD1-CD2 3.49Å; F759-Y763 AromaticContact CD1-CE2 3.73Å; F759-Y763 HydrophobicContact CD1-CE2 3.73Å; F759-Y763 HydrophobicContact CD1-CG 4.33Å; F759-Y763 HydrophobicContact CE1-CD2 4.06Å; F759-Y763 AromaticContact CE1-CE2 3.8Å; F759-Y763 HydrophobicContact CE1-CE2 3.8Å; F759-Y763 PolarHBondContact O-N 3.04Å
760A81.9Confident81.4Confident61 Ų6172.2 Ų72.250%0.50436%0.363SS..Hα-helixtrans-64.6-17.6178.400000114K756 E757 H758K756-A760 WeakPolarHBondContact O-CB 3.44Å; K756-A760 PolarHBondContact O-N 2.86Å; E757-A760 PolarHBondContact O-N 3.01Å; H758-A760 VanDerWaalsContact C-N 3.29Å; H758-A760 PolarHBondContact O-N 3.43Å
761R83Confident80.9Confident172 Ų17276.8 Ų76.865%0.64939%0.393SS*.Hα-helixtrans-83.3-26.1176-63.8176.1-171.11804112.9E757 H758 F759 Y770E757-R761 IonicContact OE1-CZ 3.53Å; E757-R761 IonicContact OE1-NH2 3.9Å; E757-R761 PolarHBondContact OE1-NH2 3.43Å; H758-R761 WeakPolarHBondContact O-CB 3.32Å; H758-R761 PolarHBondContact O-N 3.48Å; H758-R761 VanDerWaalsContact O-N 3.12Å; F759-R761 PolarHBondContact O-N 3.15Å; R761-Y770 WeakPolarHBondContact O-CD2 3.2Å
762E79.9Confident80.5Confident87 Ų8777 Ų7741%0.40740%0.403SS..Hα-helixtrans-111.6-20.4-172.4-64.5-174.9179.200113.1H758 F759 S769 Y770H758-E762 IonicContact CE1-OE1 3.39Å; F759-E762 PolarHBondContact O-N 3.46Å; F759-E762 VanDerWaalsContact O-N 3.15Å; E762-S769 WeakPolarHBondContact O-CA 3.16Å; E762-S769 PolarHBondContact O-OG 2.97Å; E762-Y770 WeakPolarHBondContact O-CD2 3.46Å; E762-Y770 PolarHBondContact O-N 2.83Å
763Y82.6Confident80Confident40 Ų4084.2 Ų84.216%0.15744%0.441CS..BIsolated β-bridgetrans-132.9150.9-177.4-60.9-95.9000112.2P745 F759 D768 Y770P745-Y763 HydrophobicContact CG-CD1 3.62Å; P745-Y763 HydrophobicContact CG-CD2 3.97Å; P745-Y763 HydrophobicContact CG-CE1 4.07Å; P745-Y763 HydrophobicContact CG-CE2 4.38Å; P745-Y763 HydrophobicContact CG-CG 3.57Å; F759-Y763 AromaticContact CD1-CD2 3.49Å; F759-Y763 HydrophobicContact CD1-CD2 3.49Å; F759-Y763 VanDerWaalsContact CD1-CD2 3.49Å; F759-Y763 AromaticContact CD1-CE2 3.73Å; F759-Y763 HydrophobicContact CD1-CE2 3.73Å; F759-Y763 HydrophobicContact CD1-CG 4.33Å; F759-Y763 HydrophobicContact CE1-CD2 4.06Å; F759-Y763 AromaticContact CE1-CE2 3.8Å; F759-Y763 HydrophobicContact CE1-CE2 3.8Å; F759-Y763 PolarHBondContact O-N 3.04Å; Y763-D768 CarbonylContact C-O 3.54Å; Y763-D768 WeakPolarHBondContact CA-O 3.41Å; Y763-Y770 VanDerWaalsContact C-CE2 3.46Å; Y763-Y770 WeakPolarHBondContact O-CE2 3.29Å; Y763-Y770 PolarHBondContact O-OH 3Å
764D80.8Confident79.6Confident44 Ų4483.3 Ų83.324%0.23543%0.434CS..  trans-77.5177.8174.987.2-10.4000112.8Y766 G767 D768 Y770D764-Y766 PolarHBondContact O-N 2.89Å; D764-Y766 VanDerWaalsContact O-N 3.1Å; D764-Y766 WeakPolarHBondContact OD1-CA 3.44Å; D764-Y766 PolarHBondContact OD1-N 3.38Å; D764-G767 PolarHBondContact O-N 3.43Å; D764-G767 PolarHBondContact OD1-N 3.15Å; D764-D768 PolarHBondContact N-O 2.93Å; D764-D768 PolarHBondContact OD1-N 3.31Å; D764-Y770 WeakPolarHBondContact CA-OH 3.44Å; D764-Y770 HydrophobicContact CB-CE1 3.87Å
765S72.9Confident79.5Confident104 Ų10481.1 Ų81.173%0.72742%0.422SS*.THydrogen-bonded Turntrans-65.6-11-179.153.70000114.9
766Y76.3Confident79.1Confident104 Ų10485 Ų8541%0.40845%0.446SS..THydrogen-bonded Turntrans-110.2-6.7-178.5-56.6-71.9000112.5D764 R785 M786D764-Y766 PolarHBondContact O-N 2.89Å; D764-Y766 VanDerWaalsContact O-N 3.1Å; D764-Y766 WeakPolarHBondContact OD1-CA 3.44Å; D764-Y766 PolarHBondContact OD1-N 3.38Å; Y766-R785 PolarHBondContact O-NH1 3.46Å; Y766-M786 HydrophobicContact CD1-CB 4.41Å; Y766-M786 HydrophobicContact CD1-CE 4.28Å; Y766-M786 HydrophobicContact CD1-CG 3.45Å; Y766-M786 VanDerWaalsContact CD1-CG 3.45Å; Y766-M786 HydrophobicContact CD2-CE 3.34Å; Y766-M786 HydrophobicContact CD2-CG 4.21Å; Y766-M786 HydrophobicContact CE1-CB 4.37Å; Y766-M786 HydrophobicContact CE1-CG 3.68Å; Y766-M786 HydrophobicContact CE2-CE 3.89Å; Y766-M786 HydrophobicContact CE2-CG 4.4Å; Y766-M786 HydrophobicContact CG-CE 3.55Å; Y766-M786 HydrophobicContact CG-CG 3.72Å; Y766-M786 HydrophobicContact CG-SD 4.49Å
767G74.1Confident78.6Confident17 Ų1781.8 Ų81.818%0.17544%0.444CS..SBendtrans9521174.800000114.1D764D764-G767 PolarHBondContact O-N 3.43Å; D764-G767 PolarHBondContact OD1-N 3.15Å
768D80.5Confident78.1Confident46 Ų4680.2 Ų80.225%0.24644%0.437CS..  trans-87.1143.2170.4-166.117.9000110.6Y763 D764 T774 V782Y763-D768 CarbonylContact C-O 3.54Å; Y763-D768 WeakPolarHBondContact CA-O 3.41Å; D764-D768 PolarHBondContact N-O 2.93Å; D764-D768 PolarHBondContact OD1-N 3.31Å; D768-T774 PolarHBondContact OD1-OG1 3.18Å; D768-V782 HydrophobicContact CB-CG1 4.37Å; D768-V782 HydrophobicContact CB-CG2 4.21Å
769S80.4Confident77.8Confident20 Ų2078.7 Ų78.714%0.1443%0.431CS..BIsolated β-bridgetrans-84.5141.1-176.4-176.70000111.1E762 T771 A772E762-S769 WeakPolarHBondContact O-CA 3.16Å; E762-S769 PolarHBondContact O-OG 2.97Å; S769-T771 VanDerWaalsContact C-N 3.26Å; S769-T771 PolarHBondContact O-N 3.49Å; S769-T771 PolarHBondContact OG-N 3.01Å; S769-A772 PolarHBondContact OG-N 3.28Å
770Y78.8Confident77.6Confident144 Ų14485 Ų8557%0.56546%0.459SS*.SBendtrans-73.1-17.8174-60.5-55.1000113.8R761 E762 Y763 D764R761-Y770 WeakPolarHBondContact O-CD2 3.2Å; E762-Y770 WeakPolarHBondContact O-CD2 3.46Å; E762-Y770 PolarHBondContact O-N 2.83Å; Y763-Y770 VanDerWaalsContact C-CE2 3.46Å; Y763-Y770 WeakPolarHBondContact O-CE2 3.29Å; Y763-Y770 PolarHBondContact O-OH 3Å; D764-Y770 WeakPolarHBondContact CA-OH 3.44Å; D764-Y770 HydrophobicContact CB-CE1 3.87Å
771T76.3Confident77.3Confident128 Ų12886 Ų8679%0.78545%0.453SS*.SBendtrans-128.1-11.5-166.855.40000114.8S769S769-T771 VanDerWaalsContact C-N 3.26Å; S769-T771 PolarHBondContact O-N 3.49Å; S769-T771 PolarHBondContact OG-N 3.01Å
772A76.6Confident77Confident56 Ų5678.3 Ų78.346%0.46343%0.425SS..SBendtrans-106.4138.6-178.500000111.4S769 T774S769-A772 PolarHBondContact OG-N 3.28Å; A772-T774 PolarHBondContact O-N 3.13Å
773D74.4Confident76.9Confident168 Ų16880.2 Ų80.290%0.89843%0.433SS*.PPolyproline II helixtrans-65.3130.9174.9-68.2-30.6000110.4
774T73.9Confident76.5Confident50 Ų5081.7 Ų81.731%0.30745%0.449SS..PPolyproline II helixtrans-102.6141.1-175.4-102.60000110.9D768 A772 Q778 L779D768-T774 PolarHBondContact OD1-OG1 3.18Å; A772-T774 PolarHBondContact O-N 3.13Å; T774-Q778 HydrophobicContact CG2-CB 4.21Å; T774-L779 HydrophobicContact CG2-CB 4.45Å; T774-L779 HydrophobicContact CG2-CD1 4.05Å; T774-L779 HydrophobicContact CG2-CD2 3.82Å; T774-L779 HydrophobicContact CG2-CG 3.4Å; T774-L779 VanDerWaalsContact CG2-CG 3.4Å
775D79.3Confident76Confident84 Ų8483.6 Ų83.645%0.44945%0.452SS..PPolyproline II helixtrans-96.9171.517876.231.4000114A777 Q778 L779D775-A777 PolarHBondContact O-N 3.41Å; D775-A777 WeakPolarHBondContact OD1-CA 3.46Å; D775-A777 WeakPolarHBondContact OD1-CB 3.38Å; D775-A777 PolarHBondContact OD1-N 2.9Å; D775-Q778 PolarHBondContact O-N 3.43Å; D775-Q778 WeakPolarHBondContact OD1-CG 3.36Å; D775-Q778 PolarHBondContact OD1-N 2.85Å; D775-L779 PolarHBondContact O-N 2.82Å
776V76.3Confident76Confident104 Ų10482.3 Ų82.363%0.6344%0.436SS*.Hα-helixtrans-62.5-28.6-177.9178.70000112.6K780V776-K780 WeakPolarHBondContact O-CG 3.41Å; V776-K780 PolarHBondContact O-N 3.46Å
777A74Confident75.1Confident67 Ų6785.8 Ų85.855%0.55445%0.453SS*.Hα-helixtrans-76.5-42.5178.500000110.9D775 K780 E781D775-A777 PolarHBondContact O-N 3.41Å; D775-A777 WeakPolarHBondContact OD1-CA 3.46Å; D775-A777 WeakPolarHBondContact OD1-CB 3.38Å; D775-A777 PolarHBondContact OD1-N 2.9Å; A777-K780 PolarHBondContact O-N 3.09Å; A777-E781 PolarHBondContact O-N 3.45Å; A777-E781 VanDerWaalsContact O-N 3.1Å
778Q72Confident74.2Confident77 Ų7792.5 Ų92.536%0.3649%0.485SS..Hα-helixtrans-62.8-42.5175.3-71.1172.1-24.600111.5T774 D775 K780 E781 V782T774-Q778 HydrophobicContact CG2-CB 4.21Å; D775-Q778 PolarHBondContact O-N 3.43Å; D775-Q778 WeakPolarHBondContact OD1-CG 3.36Å; D775-Q778 PolarHBondContact OD1-N 2.85Å; Q778-K780 PolarHBondContact O-N 2.84Å; Q778-E781 WeakPolarHBondContact O-CB 3.38Å; Q778-E781 PolarHBondContact O-N 3.2Å; Q778-E781 VanDerWaalsContact O-N 3.12Å; Q778-V782 WeakPolarHBondContact O-CG2 3.24Å; Q778-V782 PolarHBondContact O-N 2.9Å
779L77.1Confident72.8Confident64 Ų6498.2 Ų98.234%0.33552%0.516SS..Hα-helixtrans-58.3-45.2174.2-81.5164.1000112.6T774 D775 E781 V782 F783T774-L779 HydrophobicContact CG2-CB 4.45Å; T774-L779 HydrophobicContact CG2-CD1 4.05Å; T774-L779 HydrophobicContact CG2-CD2 3.82Å; T774-L779 HydrophobicContact CG2-CG 3.4Å; T774-L779 VanDerWaalsContact CG2-CG 3.4Å; D775-L779 PolarHBondContact O-N 2.82Å; L779-E781 VanDerWaalsContact C-N 3.26Å; L779-E781 PolarHBondContact O-N 2.67Å; L779-V782 PolarHBondContact O-N 3.03Å; L779-F783 HydrophobicContact CD2-CE2 4.48Å; L779-F783 HydrophobicContact CD2-CZ 4.1Å; L779-F783 WeakPolarHBondContact O-CB 3.39Å; L779-F783 WeakPolarHBondContact O-CD2 3.25Å; L779-F783 VanDerWaalsContact O-CG 3.29Å; L779-F783 WeakPolarHBondContact O-CG 3.2Å; L779-F783 PolarHBondContact O-N 2.82Å
780K78.4Confident71.3Confident148 Ų148101 Ų10164%0.64354%0.535SS*.Hα-helixtrans-62-37.3177.6-76.3175.3-179.8176.90111.5V776 A777 Q778 S784V776-K780 WeakPolarHBondContact O-CG 3.41Å; V776-K780 PolarHBondContact O-N 3.46Å; A777-K780 PolarHBondContact O-N 3.09Å; Q778-K780 PolarHBondContact O-N 2.84Å; K780-S784 WeakPolarHBondContact O-CB 3.42Å; K780-S784 PolarHBondContact O-N 3.49Å; K780-S784 VanDerWaalsContact O-N 3.09Å
781E75.4Confident70.1Confident83 Ų83104.2 Ų104.239%0.38855%0.552SS.*Hα-helixtrans-67.4-48.5176.2-169.7179.7-178.600111.8A777 Q778 L779 F783 S784 R785A777-E781 PolarHBondContact O-N 3.45Å; A777-E781 VanDerWaalsContact O-N 3.1Å; Q778-E781 WeakPolarHBondContact O-CB 3.38Å; Q778-E781 PolarHBondContact O-N 3.2Å; Q778-E781 VanDerWaalsContact O-N 3.12Å; L779-E781 VanDerWaalsContact C-N 3.26Å; L779-E781 PolarHBondContact O-N 2.67Å; E781-F783 PolarHBondContact O-N 3.41Å; E781-S784 WeakPolarHBondContact O-CB 3.34Å; E781-S784 PolarHBondContact O-N 3.45Å; E781-S784 VanDerWaalsContact O-N 3.12Å; E781-S784 PolarHBondContact O-OG 2.72Å; E781-R785 VanDerWaalsContact CD-NH2 3.27Å; E781-R785 PolarHBondContact O-N 3.47Å; E781-R785 IonicContact OE1-CZ 3.99Å; E781-R785 IonicContact OE1-NE 2.81Å; E781-R785 IonicContact OE1-NH2 2.87Å; E781-R785 PolarHBondContact OE1-NH2 3.46Å
782V77.2Confident69.1Low10 Ų10105.7 Ų105.76%0.06155%0.552CS.*Hα-helixtrans-57.4-48.2177.4171.80000110.6D768 Q778 L779 S784 R785 M786D768-V782 HydrophobicContact CB-CG1 4.37Å; D768-V782 HydrophobicContact CB-CG2 4.21Å; Q778-V782 WeakPolarHBondContact O-CG2 3.24Å; Q778-V782 PolarHBondContact O-N 2.9Å; L779-V782 PolarHBondContact O-N 3.03Å; V782-S784 VanDerWaalsContact C-N 3.29Å; V782-S784 PolarHBondContact O-N 3.06Å; V782-R785 WeakPolarHBondContact O-CB 3.48Å; V782-R785 PolarHBondContact O-N 3.44Å; V782-R785 VanDerWaalsContact O-N 3.09Å; V782-M786 HydrophobicContact CG1-CE 3.88Å; V782-M786 PolarHBondContact O-N 2.88Å
783F76.8Confident68.2Low127 Ų127107.7 Ų107.756%0.55755%0.553SS**Hα-helixtrans-63.4-32.1177.6-67.2-20.2000113.3L779 E781 R785 M786L779-F783 HydrophobicContact CD2-CE2 4.48Å; L779-F783 HydrophobicContact CD2-CZ 4.1Å; L779-F783 WeakPolarHBondContact O-CB 3.39Å; L779-F783 WeakPolarHBondContact O-CD2 3.25Å; L779-F783 VanDerWaalsContact O-CG 3.29Å; L779-F783 WeakPolarHBondContact O-CG 3.2Å; L779-F783 PolarHBondContact O-N 2.82Å; E781-F783 PolarHBondContact O-N 3.41Å; F783-R785 PolarHBondContact O-N 3.23Å; F783-M786 HydrophobicContact CD1-CE 4.46Å; F783-M786 HydrophobicContact CD1-SD 3.86Å; F783-M786 HydrophobicContact CE1-SD 4.42Å; F783-M786 PolarHBondContact O-N 3.48Å
784S76Confident67.6Low71 Ų71103.2 Ų103.250%0.49753%0.533SS..Hα-helixtrans-65.3-24.5176.480.70000113.5K780 E781 V782K780-S784 WeakPolarHBondContact O-CB 3.42Å; K780-S784 PolarHBondContact O-N 3.49Å; K780-S784 VanDerWaalsContact O-N 3.09Å; E781-S784 WeakPolarHBondContact O-CB 3.34Å; E781-S784 PolarHBondContact O-N 3.45Å; E781-S784 VanDerWaalsContact O-N 3.12Å; E781-S784 PolarHBondContact O-OG 2.72Å; V782-S784 VanDerWaalsContact C-N 3.29Å; V782-S784 PolarHBondContact O-N 3.06Å
785R69.8Low67.1Low83 Ų83104.3 Ų104.331%0.31354%0.537SS..Hα-helixtrans-85.5-20.8178.5-62175-171.7168.81.4112.7A746 Y766 E781 V782 F783 K787A746-R785 VanDerWaalsContact CA-NH2 3.32Å; Y766-R785 PolarHBondContact O-NH1 3.46Å; E781-R785 VanDerWaalsContact CD-NH2 3.27Å; E781-R785 PolarHBondContact O-N 3.47Å; E781-R785 IonicContact OE1-CZ 3.99Å; E781-R785 IonicContact OE1-NE 2.81Å; E781-R785 IonicContact OE1-NH2 2.87Å; E781-R785 PolarHBondContact OE1-NH2 3.46Å; V782-R785 WeakPolarHBondContact O-CB 3.48Å; V782-R785 PolarHBondContact O-N 3.44Å; V782-R785 VanDerWaalsContact O-N 3.09Å; F783-R785 PolarHBondContact O-N 3.23Å; R785-K787 PolarHBondContact O-N 3.3Å
786M73.1Confident66.4Low77 Ų77105.3 Ų105.338%0.37954%0.542SS..  trans-7559172.8-65.3177.1175.900111.4Y766 V782 F783 D788Y766-M786 HydrophobicContact CD1-CB 4.41Å; Y766-M786 HydrophobicContact CD1-CE 4.28Å; Y766-M786 HydrophobicContact CD1-CG 3.45Å; Y766-M786 VanDerWaalsContact CD1-CG 3.45Å; Y766-M786 HydrophobicContact CD2-CE 3.34Å; Y766-M786 HydrophobicContact CD2-CG 4.21Å; Y766-M786 HydrophobicContact CE1-CB 4.37Å; Y766-M786 HydrophobicContact CE1-CG 3.68Å; Y766-M786 HydrophobicContact CE2-CE 3.89Å; Y766-M786 HydrophobicContact CE2-CG 4.4Å; Y766-M786 HydrophobicContact CG-CE 3.55Å; Y766-M786 HydrophobicContact CG-CG 3.72Å; Y766-M786 HydrophobicContact CG-SD 4.49Å; V782-M786 HydrophobicContact CG1-CE 3.88Å; V782-M786 PolarHBondContact O-N 2.88Å; F783-M786 HydrophobicContact CD1-CE 4.46Å; F783-M786 HydrophobicContact CD1-SD 3.86Å; F783-M786 HydrophobicContact CE1-SD 4.42Å; F783-M786 PolarHBondContact O-N 3.48Å; M786-D788 PolarHBondContact O-N 3.28Å
787K57Low66Low177 Ų177105.6 Ų105.677%0.7754%0.538SS*.  trans-77.7121.3172.2-70.7-175.1-179.9177.80109.4R785 N789R785-K787 PolarHBondContact O-N 3.3Å; K787-N789 PolarHBondContact O-N 3.4Å
788D55.4Low65.7Low159 Ų159104.4 Ų104.485%0.8552%0.521SS*.SBendtrans-32.695.4-179.3-92.3-33.4000113.6M786M786-D788 PolarHBondContact O-N 3.28Å
789N51.4Low65.4Low166 Ų166102 Ų10289%0.88852%0.515SS*.  trans-139.434.6172.6-114.8-4.6000110.6K787K787-N789 PolarHBondContact O-N 3.4Å
790S48.2Very low65Low78 Ų78102.9 Ų102.955%0.54552%0.523SS..  trans-87.2114.9167.360.50000108.4M792S790-M792 PolarHBondContact O-N 3.24Å; S790-M792 WeakPolarHBondContact OG-CG 3.43Å
791K52.8Low64.5Low211 Ų21199 Ų9992%0.91751%0.509SS*.  trans-58.886.2148.7-75.9177.7177.6175.60106M793K791-M793 PolarHBondContact O-N 3.33Å
792M55.8Low64.1Low159 Ų15997 Ų9778%0.78350%0.499SS*.PPolyproline II helixtrans-61.8126.1177.3-68.7-159.788.400108S790S790-M792 PolarHBondContact O-N 3.24Å; S790-M792 WeakPolarHBondContact OG-CG 3.43Å
793M57.1Low63.6Low99 Ų99104 Ų10449%0.48853%0.531SS..PPolyproline II helixtrans-60.7139.1169.4-76.1-150.4-66.100108.8K791 L795 I798 L801K791-M793 PolarHBondContact O-N 3.33Å; M793-L795 PolarHBondContact O-N 3.12Å; M793-I798 HydrophobicContact CB-CD1 4.29Å; M793-I798 HydrophobicContact CB-CG1 4.09Å; M793-I798 HydrophobicContact CE-CG1 4.41Å; M793-L801 HydrophobicContact CE-CD1 3.74Å
794P63.2Low63.1Low74 Ų74106.6 Ų106.648%0.48154%0.537SS..PPolyproline II helixtrans-53.8133.7174.5-23.532.7000110.1D796 M797 I798P794-D796 PolarHBondContact O-N 3.23Å; P794-M797 HydrophobicContact CG-SD 4.5Å; P794-M797 WeakPolarHBondContact O-CB 3.23Å; P794-M797 PolarHBondContact O-N 3.09Å; P794-I798 PolarHBondContact O-N 3.38Å
795L62.8Low62.6Low73 Ų73110.6 Ų110.638%0.38254%0.543SS..Hα-helixtrans-51.6-29.4179.3-76.1160.8000112.6M793 I798 A799 R816 K853M793-L795 PolarHBondContact O-N 3.12Å; L795-I798 PolarHBondContact O-N 2.85Å; L795-A799 WeakPolarHBondContact O-CB 3.49Å; L795-A799 PolarHBondContact O-N 3.31Å; L795-R816 VanDerWaalsContact CD2-NH1 3.27Å; L795-K853 HydrophobicContact CD1-CB 4.48Å; L795-K853 HydrophobicContact CD1-CG 4.35Å
796D65.3Low62Low104 Ų104110.9 Ų110.956%0.55656%0.558SS**Hα-helixtrans-69.3-36.7177.8-50.6-34000112.1P794 V800P794-D796 PolarHBondContact O-N 3.23Å; D796-V800 VanDerWaalsContact O-CG2 3.3Å; D796-V800 WeakPolarHBondContact O-CG2 3.07Å; D796-V800 PolarHBondContact O-N 3.15Å; D796-V800 VanDerWaalsContact O-N 3.14Å
797M67.1Low61.3Low110 Ų110114.2 Ų114.254%0.54257%0.566SS.*Hα-helixtrans-70.8-35.1172.5-74-171.882.200111.6P794 V800 L801P794-M797 HydrophobicContact CG-SD 4.5Å; P794-M797 WeakPolarHBondContact O-CB 3.23Å; P794-M797 PolarHBondContact O-N 3.09Å; M797-V800 PolarHBondContact O-N 3.45Å; M797-L801 VanDerWaalsContact O-CG 3.25Å; M797-L801 WeakPolarHBondContact O-CG 3.38Å; M797-L801 PolarHBondContact O-N 2.85Å
798I68.1Low61.1Low42 Ų42113.6 Ų113.622%0.21557%0.571CS.*Hα-helixtrans-64.1-45.4175.2-62.8173000109.8M793 P794 L795 V800 L801 E802M793-I798 HydrophobicContact CB-CD1 4.29Å; M793-I798 HydrophobicContact CB-CG1 4.09Å; M793-I798 HydrophobicContact CE-CG1 4.41Å; P794-I798 PolarHBondContact O-N 3.38Å; L795-I798 PolarHBondContact O-N 2.85Å; I798-V800 PolarHBondContact O-N 3.5Å; I798-L801 PolarHBondContact O-N 3.1Å; I798-L801 VanDerWaalsContact O-N 3.15Å; I798-E802 HydrophobicContact CG2-CG 4.28Å; I798-E802 WeakPolarHBondContact CG2-OE1 3.08Å; I798-E802 WeakPolarHBondContact O-CG 3.38Å; I798-E802 PolarHBondContact O-N 3.1Å
799A65.4Low61.2Low27 Ų27111.4 Ų111.422%0.22357%0.569CS.*Hα-helixtrans-59.4-43.5176.500000112.5L795 L801 E802 E803 R816L795-A799 WeakPolarHBondContact O-CB 3.49Å; L795-A799 PolarHBondContact O-N 3.31Å; A799-L801 VanDerWaalsContact C-N 3.3Å; A799-L801 PolarHBondContact O-N 3.35Å; A799-E802 PolarHBondContact O-N 3.25Å; A799-E803 WeakPolarHBondContact O-CB 3.36Å; A799-E803 PolarHBondContact O-N 3.48Å; A799-R816 HydrophobicContact CB-CG 3.97Å
800V68.8Low61.8Low83 Ų83105.5 Ų105.550%0.50354%0.54SS..Hα-helixtrans-64.1-34.3176.7170.50000112.2D796 M797 I798 R804D796-V800 VanDerWaalsContact O-CG2 3.3Å; D796-V800 WeakPolarHBondContact O-CG2 3.07Å; D796-V800 PolarHBondContact O-N 3.15Å; D796-V800 VanDerWaalsContact O-N 3.14Å; M797-V800 PolarHBondContact O-N 3.45Å; I798-V800 PolarHBondContact O-N 3.5Å; V800-R804 VanDerWaalsContact O-CB 3.25Å; V800-R804 WeakPolarHBondContact O-CB 3.34Å; V800-R804 PolarHBondContact O-N 2.86Å; V800-R804 VanDerWaalsContact O-N 3.12Å
801L67Low62.7Low66 Ų66108 Ų10835%0.34654%0.543SS..Hα-helixtrans-72.8-44175.8-70.2166.9000111.4M793 M797 I798 A799 E803 R804 Y805M793-L801 HydrophobicContact CE-CD1 3.74Å; M797-L801 VanDerWaalsContact O-CG 3.25Å; M797-L801 WeakPolarHBondContact O-CG 3.38Å; M797-L801 PolarHBondContact O-N 2.85Å; I798-L801 PolarHBondContact O-N 3.1Å; I798-L801 VanDerWaalsContact O-N 3.15Å; A799-L801 VanDerWaalsContact C-N 3.3Å; A799-L801 PolarHBondContact O-N 3.35Å; L801-E803 VanDerWaalsContact C-N 3.34Å; L801-E803 PolarHBondContact O-N 2.84Å; L801-R804 PolarHBondContact O-N 3Å; L801-Y805 HydrophobicContact CD2-CD2 4.41Å; L801-Y805 HydrophobicContact CD2-CE2 3.83Å; L801-Y805 WeakPolarHBondContact O-CD2 3.39Å; L801-Y805 PolarHBondContact O-N 2.81Å
802E68.4Low63.7Low41 Ų41102 Ų10219%0.19252%0.521CS..Hα-helixtrans-61.7-40.1177-72.8171.6170.400111.8I798 A799 S806 R816I798-E802 HydrophobicContact CG2-CG 4.28Å; I798-E802 WeakPolarHBondContact CG2-OE1 3.08Å; I798-E802 WeakPolarHBondContact O-CG 3.38Å; I798-E802 PolarHBondContact O-N 3.1Å; A799-E802 PolarHBondContact O-N 3.25Å; E802-S806 PolarHBondContact O-N 2.9Å; E802-S806 VanDerWaalsContact O-N 3.13Å; E802-R816 IonicContact OE1-CZ 2.69Å; E802-R816 IonicContact OE1-NE 3.81Å; E802-R816 IonicContact OE1-NH2 2.69Å; E802-R816 PolarHBondContact OE1-NH2 2.77Å; E802-R816 WeakPolarHBondContact OE2-CG 3.41Å; E802-R816 IonicContact OE2-CZ 2.8Å; E802-R816 IonicContact OE2-NE 2.7Å; E802-R816 PolarHBondContact OE2-NE 3.42Å; E802-R816 IonicContact OE2-NH2 3.52Å
803E66.3Low64.5Low157 Ų15795.7 Ų95.773%0.73449%0.492SS*.Hα-helixtrans-66.4-43.5174.6-172.8178.5-16700111.8A799 L801 Y805A799-E803 WeakPolarHBondContact O-CB 3.36Å; A799-E803 PolarHBondContact O-N 3.48Å; L801-E803 VanDerWaalsContact C-N 3.34Å; L801-E803 PolarHBondContact O-N 2.84Å; E803-Y805 PolarHBondContact O-N 2.83Å
804R66.6Low65.6Low181 Ų18192.2 Ų92.268%0.68348%0.475SS*.Hα-helixtrans-66.9-33.9-178.8179175.3-81.2-173.2-4.4113.2V800 L801V800-R804 VanDerWaalsContact O-CB 3.25Å; V800-R804 WeakPolarHBondContact O-CB 3.34Å; V800-R804 PolarHBondContact O-N 2.86Å; V800-R804 VanDerWaalsContact O-N 3.12Å; L801-R804 PolarHBondContact O-N 3Å
805Y65.9Low66.5Low155 Ų15588.7 Ų88.761%0.60845%0.452SS*.Hα-helixtrans-108.410.3-174.1-61.2-69.6000114.2L801 E803L801-Y805 HydrophobicContact CD2-CD2 4.41Å; L801-Y805 HydrophobicContact CD2-CE2 3.83Å; L801-Y805 WeakPolarHBondContact O-CD2 3.39Å; L801-Y805 PolarHBondContact O-N 2.81Å; E803-Y805 PolarHBondContact O-N 2.83Å
806S57Low67.4Low90 Ų9088.6 Ų88.663%0.62945%0.446SS*.THydrogen-bonded Turntrans5782.7169.7-65.40000115.5E802E802-S806 PolarHBondContact O-N 2.9Å; E802-S806 VanDerWaalsContact O-N 3.13Å
807W57.1Low67.9Low147 Ų14786.8 Ų86.856%0.55745%0.452SS*.  trans-112.239171.9-74.532.1000112.5S809 C810W807-S809 PolarHBondContact O-N 2.63Å; W807-C810 HydrophobicContact CB-CB 4.49Å; W807-C810 HydrophobicContact CE3-CB 4.28Å; W807-C810 PolarHBondContact O-N 2.5Å; W807-C810 VanDerWaalsContact O-N 3.09Å
808N53.2Low68.7Low163 Ų16383.3 Ų83.387%0.87244%0.436SS*.THydrogen-bonded Turntrans-64.56.4-177.9-70.9-17.2000115.1
809S57Low69.6Low114 Ų11482.6 Ų82.680%0.79743%0.434SS*.THydrogen-bonded Turntrans-114.41.1177.449.50000113.6W807 Q811W807-S809 PolarHBondContact O-N 2.63Å; S809-Q811 PolarHBondContact O-N 3.35Å
810C63.8Low70.7Confident42 Ų4281.3 Ų81.328%0.28442%0.423SS..  trans-86.3103-178.4-165.80000111.1W807 L812 S813W807-C810 HydrophobicContact CB-CB 4.49Å; W807-C810 HydrophobicContact CE3-CB 4.28Å; W807-C810 PolarHBondContact O-N 2.5Å; W807-C810 VanDerWaalsContact O-N 3.09Å; C810-L812 PolarHBondContact O-N 2.89Å; C810-S813 PolarHBondContact O-N 3.13Å; C810-S813 PolarHBondContact O-OG 3.49Å
811Q68.1Low71.7Confident130 Ų13077.4 Ų77.461%0.60740%0.399SS*.G310 helixtrans-52-29.7176.3-70.3178.7-15.900112.7S809 S813 M814 Y850S809-Q811 PolarHBondContact O-N 3.35Å; Q811-S813 PolarHBondContact O-N 3.47Å; Q811-M814 WeakPolarHBondContact O-CE 3.37Å; Q811-M814 WeakPolarHBondContact O-CG 3.45Å; Q811-M814 PolarHBondContact O-N 3.04Å; Q811-Y850 WeakPolarHBondContact O-CD1 3.12Å
812L72.9Confident72.7Confident86 Ų8674.4 Ų74.445%0.4538%0.384SS..G310 helixtrans-74.5-3.3179.7-59.6177.1000114.8C810 F849 Y850 G851C810-L812 PolarHBondContact O-N 2.89Å; L812-F849 HydrophobicContact CD2-CD1 4.04Å; L812-F849 HydrophobicContact CD2-CE1 3.37Å; L812-F849 HydrophobicContact CD2-CZ 3.83Å; L812-Y850 HydrophobicContact CD2-CD1 4.06Å; L812-Y850 HydrophobicContact CD2-CE1 3.87Å; L812-Y850 CarbonylContact O-C 3.48Å; L812-Y850 VanDerWaalsContact O-CA 3.32Å; L812-Y850 WeakPolarHBondContact O-CA 3.27Å; L812-G851 PolarHBondContact O-N 3.49Å
813S73.8Confident73.5Confident26 Ų2673.4 Ų73.418%0.18238%0.38CS..G310 helixtrans-114.17.6179.567.70000113.8C810 Q811 F815 R816 Y850C810-S813 PolarHBondContact O-N 3.13Å; C810-S813 PolarHBondContact O-OG 3.49Å; Q811-S813 PolarHBondContact O-N 3.47Å; S813-F815 PolarHBondContact O-N 3.47Å; S813-R816 WeakPolarHBondContact O-CB 3.13Å; S813-R816 PolarHBondContact O-N 3.06Å; S813-Y850 CarbonylContact C-O 3.57Å
814M80.3Confident74.1Confident26 Ų2666.3 Ų66.313%0.12835%0.347CS..THydrogen-bonded Turntrans-56.9-26.7-170.862168.484.200115.2Q811 Y850Q811-M814 WeakPolarHBondContact O-CE 3.37Å; Q811-M814 WeakPolarHBondContact O-CG 3.45Å; Q811-M814 PolarHBondContact O-N 3.04Å; M814-Y850 HydrophobicContact CE-CD1 3.51Å; M814-Y850 HydrophobicContact CE-CE1 3.73Å; M814-Y850 HydrophobicContact CE-CG 4.05Å; M814-Y850 HydrophobicContact CG-CD1 4.25Å; M814-Y850 HydrophobicContact CG-CG 4.24Å; M814-Y850 PolarHBondContact N-O 3.2Å; M814-Y850 HydrophobicContact SD-CD1 4.23Å; M814-Y850 HydrophobicContact SD-CG 4.2Å
815F82.7Confident74.8Confident0 Ų058.8 Ų58.80%032%0.319CS..THydrogen-bonded Turntrans-108.513.4177.3-62.3-68.9000113.3S813 G817 N818 L847 Y850 A852 W895 V900 P905S813-F815 PolarHBondContact O-N 3.47Å; F815-G817 PolarHBondContact O-N 2.98Å; F815-N818 WeakPolarHBondContact O-CB 3.39Å; F815-N818 PolarHBondContact O-N 3.06Å; F815-N818 VanDerWaalsContact O-N 3.09Å; F815-L847 HydrophobicContact CD1-CD2 4.29Å; F815-L847 HydrophobicContact CD2-CD2 3.77Å; F815-L847 HydrophobicContact CE1-CD2 4.37Å; F815-L847 HydrophobicContact CE2-CD2 3.88Å; F815-L847 HydrophobicContact CG-CD2 3.99Å; F815-L847 HydrophobicContact CZ-CD2 4.16Å; F815-Y850 PolarHBondContact N-O 2.93Å; F815-A852 HydrophobicContact CB-CB 3.65Å; F815-A852 WeakPolarHBondContact O-CA 3.35Å; F815-W895 AromaticContact CD1-CH2 3.9Å; F815-W895 HydrophobicContact CD1-CH2 3.9Å; F815-W895 HydrophobicContact CD1-CZ2 4.36Å; F815-W895 HydrophobicContact CD1-CZ3 4.42Å; F815-W895 HydrophobicContact CE1-CE3 4.48Å; F815-W895 AromaticContact CE1-CH2 3.57Å; F815-W895 HydrophobicContact CE1-CH2 3.57Å; F815-W895 AromaticContact CE1-CZ2 3.75Å; F815-W895 HydrophobicContact CE1-CZ2 3.75Å; F815-W895 AromaticContact CE1-CZ3 3.95Å; F815-W895 HydrophobicContact CE1-CZ3 3.95Å; F815-V900 HydrophobicContact CE2-CG2 4.48Å; F815-P905 HydrophobicContact CE1-CB 4.23Å
816R80.9Confident75.2Confident70 Ų7055.7 Ų55.726%0.26432%0.316SS..THydrogen-bonded Turntrans-60.7134.8177.8-171.575.278.1-166.84.6110.5L795 A799 E802 S813 N818 G851L795-R816 VanDerWaalsContact CD2-NH1 3.27Å; A799-R816 HydrophobicContact CB-CG 3.97Å; E802-R816 IonicContact OE1-CZ 2.69Å; E802-R816 IonicContact OE1-NE 3.81Å; E802-R816 IonicContact OE1-NH2 2.69Å; E802-R816 PolarHBondContact OE1-NH2 2.77Å; E802-R816 WeakPolarHBondContact OE2-CG 3.41Å; E802-R816 IonicContact OE2-CZ 2.8Å; E802-R816 IonicContact OE2-NE 2.7Å; E802-R816 PolarHBondContact OE2-NE 3.42Å; E802-R816 IonicContact OE2-NH2 3.52Å; S813-R816 WeakPolarHBondContact O-CB 3.13Å; S813-R816 PolarHBondContact O-N 3.06Å; R816-N818 VanDerWaalsContact C-N 3.27Å; R816-N818 PolarHBondContact O-N 2.7Å; R816-G851 WeakPolarHBondContact CA-O 3.37Å
817G74.9Confident76.1Confident66 Ų6654.7 Ų54.768%0.6831%0.306SS*.THydrogen-bonded Turntrans87.3-14.4-175.700000114.2F815 T819F815-G817 PolarHBondContact O-N 2.98Å; G817-T819 PolarHBondContact O-N 2.59Å
818N84.1Confident76.9Confident37 Ų3748.4 Ų48.420%0.19828%0.284CS..  trans-81.2118.8171-66.4-42000110.2F815 R816 I820 K853F815-N818 WeakPolarHBondContact O-CB 3.39Å; F815-N818 PolarHBondContact O-N 3.06Å; F815-N818 VanDerWaalsContact O-N 3.09Å; R816-N818 VanDerWaalsContact C-N 3.27Å; R816-N818 PolarHBondContact O-N 2.7Å; N818-I820 HydrophobicContact CB-CD1 3.91Å; N818-I820 HydrophobicContact CB-CG1 3.85Å; N818-K853 PolarHBondContact O-N 3.2Å
819T87.5Confident77.9Confident28 Ų2843.2 Ų43.217%0.17226%0.256CS..EExtended strand (participates in β ladder)trans-91.6115.6166.2-590000107.9G817 K853 V855 V862 S863 H864G817-T819 PolarHBondContact O-N 2.59Å; T819-K853 CarbonylContact C-O 3.52Å; T819-K853 WeakPolarHBondContact CA-O 3.13Å; T819-K853 HydrophobicContact CG2-CD 4.46Å; T819-V855 HydrophobicContact CG2-CB 4.49Å; T819-V855 HydrophobicContact CG2-CG1 3.65Å; T819-V855 HydrophobicContact CG2-CG2 3.99Å; T819-V862 HydrophobicContact CG2-CG2 4.26Å; T819-S863 PolarHBondContact N-OG 3.3Å; T819-S863 PolarHBondContact O-N 2.88Å; T819-S863 PolarHBondContact O-OG 3.41Å; T819-H864 PolarHBondContact O-N 3.44Å
820I89.4Confident79Confident0 Ų041.9 Ų41.90%024%0.237CC..EExtended strand (participates in β ladder)trans-122.4132.4-168.2-54.4-175.9000109.8N818 V822 L847 A852 K853 V854 V855 H864 I866 W895N818-I820 HydrophobicContact CB-CD1 3.91Å; N818-I820 HydrophobicContact CB-CG1 3.85Å; I820-V822 HydrophobicContact CG2-CG2 4.33Å; I820-L847 HydrophobicContact CB-CD1 4.5Å; I820-L847 HydrophobicContact CD1-CD1 4.12Å; I820-L847 HydrophobicContact CD1-CD2 3.74Å; I820-L847 HydrophobicContact CD1-CG 4.49Å; I820-L847 HydrophobicContact CG2-CD1 3.93Å; I820-A852 HydrophobicContact CD1-CB 3.96Å; I820-A852 HydrophobicContact CG1-CB 4.42Å; I820-K853 PolarHBondContact N-O 3.09Å; I820-V854 CarbonylContact O-C 3.59Å; I820-V854 VanDerWaalsContact O-CA 3.27Å; I820-V854 WeakPolarHBondContact O-CA 3.42Å; I820-V855 PolarHBondContact O-N 2.57Å; I820-H864 WeakPolarHBondContact CA-O 3.4Å; I820-H864 HydrophobicContact CG1-CB 4.16Å; I820-H864 HydrophobicContact CG2-CB 4.23Å; I820-I866 HydrophobicContact CG2-CD1 4.07Å; I820-I866 HydrophobicContact CG2-CG1 3.55Å; I820-W895 HydrophobicContact CD1-CZ3 4.29Å
821Y88.8Confident79.4Confident0 Ų042.5 Ų42.50%024%0.241CC..EExtended strand (participates in β ladder)trans-101134.1168.4177.6-97.3000109.1D823 Y825 L858 H864 V865 I866 M877Y821-D823 HydrophobicContact CE1-CB 4.49Å; Y821-Y825 HydrophobicContact CE2-CD2 4.18Å; Y821-Y825 HydrophobicContact CE2-CE2 4.13Å; Y821-Y825 WeakPolarHBondContact OH-CD2 3.47Å; Y821-L858 HydrophobicContact CD1-CB 4.38Å; Y821-L858 HydrophobicContact CD1-CD1 4.22Å; Y821-L858 HydrophobicContact CD2-CB 4.25Å; Y821-L858 HydrophobicContact CE2-CB 4.45Å; Y821-L858 HydrophobicContact CG-CB 4.21Å; Y821-L858 HydrophobicContact CG-CD1 4.13Å; Y821-H864 PolarHBondContact N-O 2.88Å; Y821-V865 HydrophobicContact CD1-CG1 4.16Å; Y821-V865 HydrophobicContact CD1-CG2 4.4Å; Y821-V865 CarbonylContact O-C 3.56Å; Y821-V865 VanDerWaalsContact O-CA 3.32Å; Y821-V865 WeakPolarHBondContact O-CA 3.43Å; Y821-I866 PolarHBondContact O-N 2.95Å; Y821-M877 HydrophobicContact CE1-CE 4.04Å
822V87.4Confident79.9Confident4 Ų447.5 Ų47.52%0.02425%0.254CS..EExtended strand (participates in β ladder)trans-116.4129.8176.8-1720000107.7I820 C824 L840 A844 L847 V854 I866I820-V822 HydrophobicContact CG2-CG2 4.33Å; V822-C824 WeakPolarHBondContact CG1-SG 3.43Å; V822-C824 PolarHBondContact O-N 3.47Å; V822-L840 HydrophobicContact CG1-CB 3.87Å; V822-L840 HydrophobicContact CG1-CD2 4.04Å; V822-L840 HydrophobicContact CG1-CG 4.42Å; V822-A844 HydrophobicContact CB-CB 4.46Å; V822-A844 HydrophobicContact CG2-CB 4.14Å; V822-L847 HydrophobicContact CG2-CD1 4.06Å; V822-V854 HydrophobicContact CG2-CG1 4.04Å; V822-I866 HydrophobicContact CG1-CB 4.3Å; V822-I866 HydrophobicContact CG2-CB 4.28Å; V822-I866 HydrophobicContact CG2-CG1 4.24Å
823D85Confident80.1Confident20 Ų2045 Ų4511%0.10724%0.242CC..  trans-75.165-175.4-166.624.7000112.5Y821 L840 I866Y821-D823 HydrophobicContact CE1-CB 4.49Å; D823-L840 WeakPolarHBondContact O-CD1 3.2Å; D823-I866 PolarHBondContact N-O 3.12Å; D823-I866 VanDerWaalsContact N-O 3.16Å
824C79.4Confident80.3Confident7 Ų747.8 Ų47.85%0.04725%0.251CS..  trans-97.816.8-179.4-62.90000113.4V822 I835 L840V822-C824 WeakPolarHBondContact CG1-SG 3.43Å; V822-C824 PolarHBondContact O-N 3.47Å; C824-I835 PolarHBondContact O-N 3.3Å; C824-L840 VanDerWaalsContact SG-CB 3.59Å
825Y80.7Confident80.1Confident24 Ų2450.1 Ų50.19%0.09426%0.264CS..BIsolated β-bridgetrans-124.3140.4-169.8-57.1-84000111.4Y821 V827 E830 P831 K834 P856 R873Y821-Y825 HydrophobicContact CE2-CD2 4.18Å; Y821-Y825 HydrophobicContact CE2-CE2 4.13Å; Y821-Y825 WeakPolarHBondContact OH-CD2 3.47Å; Y825-V827 WeakPolarHBondContact CB-O 3.43Å; Y825-V827 PolarHBondContact O-N 2.88Å; Y825-E830 WeakPolarHBondContact CD1-O 3.43Å; Y825-P831 HydrophobicContact CE1-CB 4.37Å; Y825-K834 HydrophobicContact CD1-CB 3.89Å; Y825-K834 HydrophobicContact CD1-CG 4.27Å; Y825-K834 HydrophobicContact CE1-CB 3.76Å; Y825-K834 HydrophobicContact CE1-CD 4.34Å; Y825-K834 HydrophobicContact CE1-CG 3.92Å; Y825-P856 WeakPolarHBondContact OH-CA 3.27Å; Y825-P856 WeakPolarHBondContact OH-CB 3.47Å; Y825-R873 PolarHBondContact O-NH1 3.09Å
826V74.5Confident79.7Confident90 Ų9057.4 Ų57.455%0.54530%0.297SS..SBendtrans-65.6-32.4176.4-1770000110.8T833 I835 R873V826-T833 WeakPolarHBondContact CG2-O 3.36Å; V826-T833 PolarHBondContact N-O 2.63Å; V826-T833 PolarHBondContact N-OG1 3.06Å; V826-I835 HydrophobicContact CG2-CD1 3.88Å; V826-I835 HydrophobicContact CG2-CG1 3.65Å; V826-R873 PolarHBondContact O-NH1 3.25Å
827V75.8Confident79.2Confident68 Ų6857.8 Ų57.841%0.41232%0.323SS..SBendtrans-121.6128.1173.7-1790000108.6Y825 N829 E830 T833Y825-V827 WeakPolarHBondContact CB-O 3.43Å; Y825-V827 PolarHBondContact O-N 2.88Å; V827-N829 PolarHBondContact O-N 3.06Å; V827-E830 HydrophobicContact CB-CB 3.94Å; V827-E830 HydrophobicContact CG1-CB 4.13Å; V827-E830 PolarHBondContact O-N 2.87Å; V827-E830 VanDerWaalsContact O-N 3.14Å; V827-T833 HydrophobicContact CB-CG2 4.36Å; V827-T833 HydrophobicContact CG2-CG2 4.25Å; V827-T833 PolarHBondContact N-OG1 2.87Å; V827-T833 VanDerWaalsContact N-OG1 3.1Å
828V75.3Confident79.5Confident16 Ų1656.6 Ų56.610%0.09730%0.303CS..THydrogen-bonded Turntrans-54.4134.9177.6-172.90000108.8E830 M877 L880V828-E830 PolarHBondContact O-N 3.08Å; V828-M877 HydrophobicContact CB-CE 4.2Å; V828-M877 HydrophobicContact CG1-CE 3.75Å; V828-M877 HydrophobicContact CG1-SD 4.13Å; V828-M877 HydrophobicContact CG2-CE 3.38Å; V828-M877 HydrophobicContact CG2-SD 4.3Å; V828-L880 HydrophobicContact CG1-CD1 4.12Å
829N73.7Confident79.3Confident53 Ų5361.1 Ų61.128%0.28332%0.317SS..THydrogen-bonded Turntrans64.414.7178.4-62.7-10.3000116.1V827 P831 H857 L858V827-N829 PolarHBondContact O-N 3.06Å; N829-P831 WeakPolarHBondContact O-CD 3.48Å; N829-H857 PolarHBondContact O-CE1 3.16Å; N829-H857 PolarHBondContact O-ND1 3.27Å; N829-L858 PolarHBondContact ND2-O 3.1Å; N829-L858 WeakPolarHBondContact OD1-CA 3.49Å; N829-L858 WeakPolarHBondContact OD1-CB 3.39Å; N829-L858 PolarHBondContact OD1-N 3.35Å
830E79.4Confident79.1Confident86 Ų8660.8 Ų60.840%0.40231%0.314SS..  trans-111.996.5174.6-164.6167.7-162.900112.3Y825 V827 V828 R832 T833Y825-E830 WeakPolarHBondContact CD1-O 3.43Å; V827-E830 HydrophobicContact CB-CB 3.94Å; V827-E830 HydrophobicContact CG1-CB 4.13Å; V827-E830 PolarHBondContact O-N 2.87Å; V827-E830 VanDerWaalsContact O-N 3.14Å; V828-E830 PolarHBondContact O-N 3.08Å; E830-R832 PolarHBondContact O-N 3.38Å; E830-T833 HydrophobicContact CB-CG2 4.19Å; E830-T833 HydrophobicContact CG-CG2 3.97Å; E830-T833 PolarHBondContact O-N 3.2Å; E830-T833 PolarHBondContact O-OG1 3.26Å
831P73.9Confident78.7Confident56 Ų5662 Ų6236%0.36432%0.322SS..G310 helixtrans-62.9-21.9-172.1-24.133.6000114.6Y825 N829 T833 P856 H857Y825-P831 HydrophobicContact CE1-CB 4.37Å; N829-P831 WeakPolarHBondContact O-CD 3.48Å; P831-T833 PolarHBondContact O-N 2.97Å; P831-P856 HydrophobicContact CG-CB 4.32Å; P831-H857 WeakPolarHBondContact CD-CE1 3.41Å; P831-H857 WeakPolarHBondContact CG-CE1 3.19Å; P831-H857 WeakPolarHBondContact CG-NE2 3.3Å
832R77.3Confident78.5Confident235 Ų23565.5 Ų65.589%0.88734%0.343SS*.G310 helixtrans-70.9-16.5178.6-64.1-178.6-179.5-1760.4112.7E830E830-R832 PolarHBondContact O-N 3.38Å
833T78.4Confident78.5Confident33 Ų3367.2 Ų67.220%0.20235%0.35CS..G310 helixtrans-100.224.4-177.870.60000112.9V826 V827 E830 P831 I835V826-T833 WeakPolarHBondContact CG2-O 3.36Å; V826-T833 PolarHBondContact N-O 2.63Å; V826-T833 PolarHBondContact N-OG1 3.06Å; V827-T833 HydrophobicContact CB-CG2 4.36Å; V827-T833 HydrophobicContact CG2-CG2 4.25Å; V827-T833 PolarHBondContact N-OG1 2.87Å; V827-T833 VanDerWaalsContact N-OG1 3.1Å; E830-T833 HydrophobicContact CB-CG2 4.19Å; E830-T833 HydrophobicContact CG-CG2 3.97Å; E830-T833 PolarHBondContact O-N 3.2Å; E830-T833 PolarHBondContact O-OG1 3.26Å; P831-T833 PolarHBondContact O-N 2.97Å; T833-I835 PolarHBondContact O-N 2.93Å
834K77.6Confident78.6Confident85 Ų8566.9 Ų66.937%0.3735%0.35SS..BIsolated β-bridgetrans-64127.2-177.4-168.3177.9-179.1-178.50111.2Y825 H836Y825-K834 HydrophobicContact CD1-CB 3.89Å; Y825-K834 HydrophobicContact CD1-CG 4.27Å; Y825-K834 HydrophobicContact CE1-CB 3.76Å; Y825-K834 HydrophobicContact CE1-CD 4.34Å; Y825-K834 HydrophobicContact CE1-CG 3.92Å; K834-H836 PolarHBondContact O-CD2 3.21Å
835I76.3Confident78.8Confident75 Ų7571.9 Ų71.939%0.38538%0.375SS..PPolyproline II helixtrans-84.9117.7173.7-48.3175.2000107.8C824 V826 T833 T838C824-I835 PolarHBondContact O-N 3.3Å; V826-I835 HydrophobicContact CG2-CD1 3.88Å; V826-I835 HydrophobicContact CG2-CG1 3.65Å; T833-I835 PolarHBondContact O-N 2.93Å; I835-T838 HydrophobicContact CB-CG2 4.02Å; I835-T838 HydrophobicContact CG2-CG2 3.48Å; I835-T838 VanDerWaalsContact CG2-CG2 3.48Å
836H74.3Confident79.1Confident153 Ų15372.9 Ų72.971%0.70838%0.381SS*.PPolyproline II helixtrans-88.2144.4179.3-67.8-83.5000111K834K834-H836 PolarHBondContact O-CD2 3.21Å
837G70.4Confident79.7Confident78 Ų7868.6 Ų68.680%0.80436%0.355SS*.SBendtrans81.121.4173.200000115.9
838T79.4Confident80.2Confident41 Ų4171.5 Ų71.525%0.25236%0.358SS..  trans-91.5158.7177.260.80000112.2I835 L840 S841 V842I835-T838 HydrophobicContact CB-CG2 4.02Å; I835-T838 HydrophobicContact CG2-CG2 3.48Å; I835-T838 VanDerWaalsContact CG2-CG2 3.48Å; T838-L840 PolarHBondContact O-N 3.36Å; T838-S841 PolarHBondContact N-OG 3.47Å; T838-S841 WeakPolarHBondContact O-CA 3.37Å; T838-S841 WeakPolarHBondContact O-CB 3.29Å; T838-S841 PolarHBondContact O-N 3.13Å; T838-S841 PolarHBondContact O-OG 2.75Å; T838-S841 PolarHBondContact OG1-N 3.03Å; T838-V842 PolarHBondContact O-N 3.22Å
839R80.9Confident80.6Confident132 Ų13277.1 Ų77.150%0.49838%0.381SS..Hα-helixtrans-54.8-41.2172.1-73.7173.462-176.9-5.9111.8S841 V842 R843 E869 E893R839-S841 PolarHBondContact O-N 3.35Å; R839-V842 WeakPolarHBondContact O-CB 3.2Å; R839-V842 PolarHBondContact O-N 3.43Å; R839-R843 WeakPolarHBondContact O-CG 3.48Å; R839-R843 PolarHBondContact O-N 3.35Å; R839-E869 IonicContact CZ-OE1 2.78Å; R839-E869 IonicContact NH1-OE1 2.75Å; R839-E869 PolarHBondContact NH1-OE1 2.8Å; R839-E869 IonicContact NH2-OE1 3.59Å; R839-E893 IonicContact CZ-OE1 3.2Å; R839-E893 IonicContact NE-OE1 3.28Å; R839-E893 PolarHBondContact NE-OE1 3.14Å; R839-E893 IonicContact NH2-OE1 3Å; R839-E893 PolarHBondContact NH2-OE1 3.36Å
840L83.3Confident81.1Confident20 Ų2076.6 Ų76.611%0.10538%0.376CS..Hα-helixtrans-60-30.5174.2-68.4175.2000113.6V822 D823 C824 T838 V842 R843 A844 I866 E893V822-L840 HydrophobicContact CG1-CB 3.87Å; V822-L840 HydrophobicContact CG1-CD2 4.04Å; V822-L840 HydrophobicContact CG1-CG 4.42Å; D823-L840 WeakPolarHBondContact O-CD1 3.2Å; C824-L840 VanDerWaalsContact SG-CB 3.59Å; T838-L840 PolarHBondContact O-N 3.36Å; L840-V842 VanDerWaalsContact C-N 3.33Å; L840-R843 PolarHBondContact O-N 2.99Å; L840-A844 WeakPolarHBondContact O-CB 3.19Å; L840-A844 PolarHBondContact O-N 2.73Å; L840-I866 HydrophobicContact CD2-CG2 4.17Å; L840-E893 HydrophobicContact CD2-CB 3.89Å; L840-E893 WeakPolarHBondContact CD2-OE2 3.34Å
841S81.9Confident81.2Confident25 Ų2572.8 Ų72.818%0.17536%0.36CS..Hα-helixtrans-68.9-32.4175.476.50000112.7T838 R839 L845T838-S841 PolarHBondContact N-OG 3.47Å; T838-S841 WeakPolarHBondContact O-CA 3.37Å; T838-S841 WeakPolarHBondContact O-CB 3.29Å; T838-S841 PolarHBondContact O-N 3.13Å; T838-S841 PolarHBondContact O-OG 2.75Å; T838-S841 PolarHBondContact OG1-N 3.03Å; R839-S841 PolarHBondContact O-N 3.35Å; S841-L845 WeakPolarHBondContact O-CG 3.47Å; S841-L845 PolarHBondContact O-N 3.36Å
842V84.3Confident81.7Confident74 Ų7470.4 Ų70.445%0.44835%0.345SS..Hα-helixtrans-69.5-46.4171.9-178.80000109.8T838 R839 L840 A844 L845 E846T838-V842 PolarHBondContact O-N 3.22Å; R839-V842 WeakPolarHBondContact O-CB 3.2Å; R839-V842 PolarHBondContact O-N 3.43Å; L840-V842 VanDerWaalsContact C-N 3.33Å; V842-A844 VanDerWaalsContact C-N 3.27Å; V842-A844 PolarHBondContact O-N 2.76Å; V842-L845 WeakPolarHBondContact O-CA 3.36Å; V842-L845 WeakPolarHBondContact O-CB 3.1Å; V842-L845 PolarHBondContact O-N 2.82Å; V842-E846 PolarHBondContact O-N 2.93Å
843R87.6Confident82.2Confident41 Ų4163.2 Ų63.216%0.15532%0.32CS..Hα-helixtrans-60.5-36.2177.1-58.7-64.5165.1-142.94.4112.5R839 L840 L845 E846 L847 E893 V896 T897R839-R843 WeakPolarHBondContact O-CG 3.48Å; R839-R843 PolarHBondContact O-N 3.35Å; L840-R843 PolarHBondContact O-N 2.99Å; R843-L845 VanDerWaalsContact C-N 3.32Å; R843-L845 PolarHBondContact O-N 2.99Å; R843-E846 VanDerWaalsContact CD-OE2 3.28Å; R843-E846 WeakPolarHBondContact CD-OE2 3.38Å; R843-E846 IonicContact CZ-OE2 2.65Å; R843-E846 IonicContact NE-OE2 2.8Å; R843-E846 IonicContact NH1-OE1 3.75Å; R843-E846 PolarHBondContact NH1-OE1 3.06Å; R843-E846 IonicContact NH1-OE2 3.86Å; R843-E846 PolarHBondContact NH1-OE2 3.46Å; R843-E846 PolarHBondContact O-N 3.33Å; R843-L847 WeakPolarHBondContact O-CB 3.34Å; R843-L847 VanDerWaalsContact O-CG 3.3Å; R843-L847 WeakPolarHBondContact O-CG 3.28Å; R843-L847 PolarHBondContact O-N 3.32Å; R843-E893 HydrophobicContact CG-CB 4.38Å; R843-V896 HydrophobicContact CB-CG1 4.41Å; R843-T897 PolarHBondContact NE-OG1 3.34Å; R843-T897 VanDerWaalsContact NE-OG1 3.07Å; R843-T897 PolarHBondContact NH2-OG1 3.23Å
844A85.6Confident82.6Confident13 Ų1362.6 Ų62.611%0.10732%0.316CS..Hα-helixtrans-65.2-33.4173.800000113.1V822 L840 V842 R848 V854V822-A844 HydrophobicContact CB-CB 4.46Å; V822-A844 HydrophobicContact CG2-CB 4.14Å; L840-A844 WeakPolarHBondContact O-CB 3.19Å; L840-A844 PolarHBondContact O-N 2.73Å; V842-A844 VanDerWaalsContact C-N 3.27Å; V842-A844 PolarHBondContact O-N 2.76Å; A844-R848 WeakPolarHBondContact O-CG 3.33Å; A844-R848 PolarHBondContact O-N 3.41Å; A844-V854 HydrophobicContact CB-CG1 4.36Å
845L84.8Confident83.1Confident112 Ų11259 Ų5959%0.58630%0.301SS*.Hα-helixtrans-72.1-43.6174.7-71.8171.3000111.3S841 V842 R843 R848 F849S841-L845 WeakPolarHBondContact O-CG 3.47Å; S841-L845 PolarHBondContact O-N 3.36Å; V842-L845 WeakPolarHBondContact O-CA 3.36Å; V842-L845 WeakPolarHBondContact O-CB 3.1Å; V842-L845 PolarHBondContact O-N 2.82Å; R843-L845 VanDerWaalsContact C-N 3.32Å; R843-L845 PolarHBondContact O-N 2.99Å; L845-R848 PolarHBondContact O-N 3.19Å; L845-F849 WeakPolarHBondContact O-CB 3.25Å; L845-F849 PolarHBondContact O-N 2.77Å
846E86.7Confident83.3Confident44 Ų4457.9 Ų57.921%0.20630%0.299CS..Hα-helixtrans-60.5-46.5175.7-69.9172.4165.600111.5V842 R843 R848 F849 Y850V842-E846 PolarHBondContact O-N 2.93Å; R843-E846 VanDerWaalsContact CD-OE2 3.28Å; R843-E846 WeakPolarHBondContact CD-OE2 3.38Å; R843-E846 IonicContact CZ-OE2 2.65Å; R843-E846 IonicContact NE-OE2 2.8Å; R843-E846 IonicContact NH1-OE1 3.75Å; R843-E846 PolarHBondContact NH1-OE1 3.06Å; R843-E846 IonicContact NH1-OE2 3.86Å; R843-E846 PolarHBondContact NH1-OE2 3.46Å; R843-E846 PolarHBondContact O-N 3.33Å; E846-R848 VanDerWaalsContact C-N 3.26Å; E846-R848 PolarHBondContact O-N 2.95Å; E846-F849 WeakPolarHBondContact O-CB 3.46Å; E846-F849 PolarHBondContact O-N 3.29Å; E846-Y850 HydrophobicContact CB-CD2 4.36Å; E846-Y850 WeakPolarHBondContact O-CD2 3.26Å; E846-Y850 PolarHBondContact O-N 3.24Å
847L87.4Confident83.8Confident0 Ų054.2 Ų54.20%028%0.282CS..Hα-helixtrans-55.6-41.9175.5-78.6174.1000112.2F815 I820 V822 R843 Y850 G851 A852 V854 I866 V896F815-L847 HydrophobicContact CD1-CD2 4.29Å; F815-L847 HydrophobicContact CD2-CD2 3.77Å; F815-L847 HydrophobicContact CE1-CD2 4.37Å; F815-L847 HydrophobicContact CE2-CD2 3.88Å; F815-L847 HydrophobicContact CG-CD2 3.99Å; F815-L847 HydrophobicContact CZ-CD2 4.16Å; I820-L847 HydrophobicContact CB-CD1 4.5Å; I820-L847 HydrophobicContact CD1-CD1 4.12Å; I820-L847 HydrophobicContact CD1-CD2 3.74Å; I820-L847 HydrophobicContact CD1-CG 4.49Å; I820-L847 HydrophobicContact CG2-CD1 3.93Å; V822-L847 HydrophobicContact CG2-CD1 4.06Å; R843-L847 WeakPolarHBondContact O-CB 3.34Å; R843-L847 VanDerWaalsContact O-CG 3.3Å; R843-L847 WeakPolarHBondContact O-CG 3.28Å; R843-L847 PolarHBondContact O-N 3.32Å; L847-Y850 CarbonylContact O-C 3.46Å; L847-G851 PolarHBondContact O-N 2.93Å; L847-A852 HydrophobicContact CB-CB 4Å; L847-A852 HydrophobicContact CD2-CB 4.35Å; L847-A852 WeakPolarHBondContact O-CA 3.36Å; L847-A852 WeakPolarHBondContact O-CB 3.38Å; L847-A852 PolarHBondContact O-N 3.16Å; L847-V854 HydrophobicContact CB-CG2 3.76Å; L847-V854 HydrophobicContact CD1-CG2 4.37Å; L847-I866 HydrophobicContact CD1-CG1 4.12Å; L847-V896 HydrophobicContact CD1-CG2 4.03Å; L847-V896 HydrophobicContact CD2-CG1 3.93Å; L847-V896 HydrophobicContact CD2-CG2 3.91Å; L847-V896 HydrophobicContact CG-CG1 3.87Å; L847-V896 HydrophobicContact CG-CG2 4.04Å
848R85.8Confident84.4Confident129 Ų12950.7 Ų50.749%0.48725%0.245SC..Hα-helixtrans-67.7-40.5175.8-73.5174.2178.8176.2-0.4112.2A844 L845 E846 Y850 G851 V854A844-R848 WeakPolarHBondContact O-CG 3.33Å; A844-R848 PolarHBondContact O-N 3.41Å; L845-R848 PolarHBondContact O-N 3.19Å; E846-R848 VanDerWaalsContact C-N 3.26Å; E846-R848 PolarHBondContact O-N 2.95Å; R848-Y850 VanDerWaalsContact C-N 3.28Å; R848-Y850 PolarHBondContact O-N 3.47Å; R848-G851 PolarHBondContact O-N 2.98Å; R848-V854 HydrophobicContact CG-CB 4.03Å; R848-V854 HydrophobicContact CG-CG2 3.79Å; R848-V854 PolarHBondContact NH2-O 3.47Å
849F83.8Confident84.6Confident134 Ų13453.7 Ų53.759%0.58826%0.256SS*.Hα-helixtrans-61.6-39.1177.8-176.3-102.2000111.5L812 L845 E846 G851L812-F849 HydrophobicContact CD2-CD1 4.04Å; L812-F849 HydrophobicContact CD2-CE1 3.37Å; L812-F849 HydrophobicContact CD2-CZ 3.83Å; L845-F849 WeakPolarHBondContact O-CB 3.25Å; L845-F849 PolarHBondContact O-N 2.77Å; E846-F849 WeakPolarHBondContact O-CB 3.46Å; E846-F849 PolarHBondContact O-N 3.29Å; F849-G851 VanDerWaalsContact C-N 3.3Å; F849-G851 PolarHBondContact O-N 3.3Å
850Y84.7Confident84.6Confident43 Ų4353.3 Ų53.317%0.16926%0.26CS..THydrogen-bonded Turntrans-90.518.4178.2-68.7-66.4000114.2Q811 L812 S813 M814 F815 E846 L847 R848 V900Q811-Y850 WeakPolarHBondContact O-CD1 3.12Å; L812-Y850 HydrophobicContact CD2-CD1 4.06Å; L812-Y850 HydrophobicContact CD2-CE1 3.87Å; L812-Y850 CarbonylContact O-C 3.48Å; L812-Y850 VanDerWaalsContact O-CA 3.32Å; L812-Y850 WeakPolarHBondContact O-CA 3.27Å; S813-Y850 CarbonylContact C-O 3.57Å; M814-Y850 HydrophobicContact CE-CD1 3.51Å; M814-Y850 HydrophobicContact CE-CE1 3.73Å; M814-Y850 HydrophobicContact CE-CG 4.05Å; M814-Y850 HydrophobicContact CG-CD1 4.25Å; M814-Y850 HydrophobicContact CG-CG 4.24Å; M814-Y850 PolarHBondContact N-O 3.2Å; M814-Y850 HydrophobicContact SD-CD1 4.23Å; M814-Y850 HydrophobicContact SD-CG 4.2Å; F815-Y850 PolarHBondContact N-O 2.93Å; E846-Y850 HydrophobicContact CB-CD2 4.36Å; E846-Y850 WeakPolarHBondContact O-CD2 3.26Å; E846-Y850 PolarHBondContact O-N 3.24Å; L847-Y850 CarbonylContact O-C 3.46Å; R848-Y850 VanDerWaalsContact C-N 3.28Å; R848-Y850 PolarHBondContact O-N 3.47Å; Y850-V900 HydrophobicContact CD2-CG1 4.48Å; Y850-V900 HydrophobicContact CD2-CG2 3.54Å; Y850-V900 HydrophobicContact CE2-CB 4.08Å; Y850-V900 HydrophobicContact CE2-CG1 3.51Å; Y850-V900 HydrophobicContact CE2-CG2 3.4Å; Y850-V900 HydrophobicContact CG-CG2 4.47Å
851G80.1Confident84.4Confident6 Ų654.3 Ų54.36%0.06227%0.274CS..THydrogen-bonded Turntrans951.4165.300000117.1L812 R816 L847 R848 F849L812-G851 PolarHBondContact O-N 3.49Å; R816-G851 WeakPolarHBondContact CA-O 3.37Å; L847-G851 PolarHBondContact O-N 2.93Å; R848-G851 PolarHBondContact O-N 2.98Å; F849-G851 VanDerWaalsContact C-N 3.3Å; F849-G851 PolarHBondContact O-N 3.3Å
852A85.5Confident84.7Confident6 Ų653.2 Ų53.25%0.0527%0.267CS..  trans-74.2148.5178.600000113.1F815 I820 L847 V854F815-A852 HydrophobicContact CB-CB 3.65Å; F815-A852 WeakPolarHBondContact O-CA 3.35Å; I820-A852 HydrophobicContact CD1-CB 3.96Å; I820-A852 HydrophobicContact CG1-CB 4.42Å; L847-A852 HydrophobicContact CB-CB 4Å; L847-A852 HydrophobicContact CD2-CB 4.35Å; L847-A852 WeakPolarHBondContact O-CA 3.36Å; L847-A852 WeakPolarHBondContact O-CB 3.38Å; L847-A852 PolarHBondContact O-N 3.16Å; A852-V854 PolarHBondContact O-N 2.99Å
853K87.3Confident84.8Confident83 Ų8351.2 Ų51.236%0.36126%0.256SS..EExtended strand (participates in β ladder)trans-90.295170.9-174.1-179.4-179.9-179.90109.8L795 N818 T819 I820 V855L795-K853 HydrophobicContact CD1-CB 4.48Å; L795-K853 HydrophobicContact CD1-CG 4.35Å; N818-K853 PolarHBondContact O-N 3.2Å; T819-K853 CarbonylContact C-O 3.52Å; T819-K853 WeakPolarHBondContact CA-O 3.13Å; T819-K853 HydrophobicContact CG2-CD 4.46Å; I820-K853 PolarHBondContact N-O 3.09Å; K853-V855 HydrophobicContact CG-CG1 4.28Å; K853-V855 PolarHBondContact O-N 3.35Å
854V87.5Confident84.9Confident20 Ų2049.7 Ų49.712%0.12125%0.251CS..EExtended strand (participates in β ladder)trans-85.4111.8178.5-178.70000111.1I820 V822 A844 L847 R848 A852I820-V854 CarbonylContact O-C 3.59Å; I820-V854 VanDerWaalsContact O-CA 3.27Å; I820-V854 WeakPolarHBondContact O-CA 3.42Å; V822-V854 HydrophobicContact CG2-CG1 4.04Å; A844-V854 HydrophobicContact CB-CG1 4.36Å; L847-V854 HydrophobicContact CB-CG2 3.76Å; L847-V854 HydrophobicContact CD1-CG2 4.37Å; R848-V854 HydrophobicContact CG-CB 4.03Å; R848-V854 HydrophobicContact CG-CG2 3.79Å; R848-V854 PolarHBondContact NH2-O 3.47Å; A852-V854 PolarHBondContact O-N 2.99Å
855V86.9Confident85.1Confident10 Ų1049.1 Ų49.16%0.06125%0.246CC..EExtended strand (participates in β ladder)trans-97.2146.1-175.1-68.40000112.5T819 I820 K853 H857 V862T819-V855 HydrophobicContact CG2-CB 4.49Å; T819-V855 HydrophobicContact CG2-CG1 3.65Å; T819-V855 HydrophobicContact CG2-CG2 3.99Å; I820-V855 PolarHBondContact O-N 2.57Å; K853-V855 HydrophobicContact CG-CG1 4.28Å; K853-V855 PolarHBondContact O-N 3.35Å; V855-H857 VanDerWaalsContact C-N 3.35Å; V855-H857 VanDerWaalsContact CG2-O 3.27Å; V855-H857 WeakPolarHBondContact CG2-O 3.5Å; V855-V862 HydrophobicContact CG2-CG2 3.81Å
856P82Confident85.3Confident51 Ų5143.8 Ų43.833%0.33122%0.218SC..SBendtrans-82.2-12.3179.432.9-34.5000113.7Y825 P831Y825-P856 WeakPolarHBondContact OH-CA 3.27Å; Y825-P856 WeakPolarHBondContact OH-CB 3.47Å; P831-P856 HydrophobicContact CG-CB 4.32Å
857H83.6Confident85.3Confident77 Ų7741.7 Ų41.736%0.35621%0.208SC..SBendtrans-125.8138.9178.9-55.9-77.8000110.1N829 P831 V855 E859N829-H857 PolarHBondContact O-CE1 3.16Å; N829-H857 PolarHBondContact O-ND1 3.27Å; P831-H857 WeakPolarHBondContact CD-CE1 3.41Å; P831-H857 WeakPolarHBondContact CG-CE1 3.19Å; P831-H857 WeakPolarHBondContact CG-NE2 3.3Å; V855-H857 VanDerWaalsContact C-N 3.35Å; V855-H857 VanDerWaalsContact CG2-O 3.27Å; V855-H857 WeakPolarHBondContact CG2-O 3.5Å; H857-E859 PolarHBondContact O-N 3.23Å
858L83.6Confident85Confident4 Ų442.1 Ų42.12%0.02121%0.213CC..  trans-76.597.5166.8-170.967.6000108.5Y821 N829 V862 V865 M877 L880 F884 F888Y821-L858 HydrophobicContact CD1-CB 4.38Å; Y821-L858 HydrophobicContact CD1-CD1 4.22Å; Y821-L858 HydrophobicContact CD2-CB 4.25Å; Y821-L858 HydrophobicContact CE2-CB 4.45Å; Y821-L858 HydrophobicContact CG-CB 4.21Å; Y821-L858 HydrophobicContact CG-CD1 4.13Å; N829-L858 PolarHBondContact ND2-O 3.1Å; N829-L858 WeakPolarHBondContact OD1-CA 3.49Å; N829-L858 WeakPolarHBondContact OD1-CB 3.39Å; N829-L858 PolarHBondContact OD1-N 3.35Å; L858-V862 HydrophobicContact CD1-CB 4.23Å; L858-V862 HydrophobicContact CD1-CG1 3.98Å; L858-V862 HydrophobicContact CD1-CG2 4.31Å; L858-V865 HydrophobicContact CD1-CG2 3.45Å; L858-V865 VanDerWaalsContact CD1-CG2 3.45Å; L858-M877 HydrophobicContact CD2-SD 3.83Å; L858-L880 HydrophobicContact CD2-CB 4.28Å; L858-L880 HydrophobicContact CD2-CD1 4.08Å; L858-F884 HydrophobicContact CG-CE2 4.36Å; L858-F888 HydrophobicContact CD1-CD1 4.19Å; L858-F888 HydrophobicContact CD1-CE1 3.96Å; L858-F888 HydrophobicContact CD1-CZ 4.17Å; L858-F888 HydrophobicContact CD2-CE1 4.03Å; L858-F888 HydrophobicContact CD2-CZ 3.83Å; L858-F888 HydrophobicContact CG-CE1 4.19Å; L858-F888 HydrophobicContact CG-CZ 4.42Å
859E83.4Confident84.5Confident103 Ų10343 Ų4348%0.48122%0.222SC..  trans-124171.1-17764.9-173.7172.600111.9H857 G861 V862H857-E859 PolarHBondContact O-N 3.23Å; E859-G861 PolarHBondContact O-N 3.46Å; E859-V862 HydrophobicContact CG-CG2 4.42Å; E859-V862 WeakPolarHBondContact O-CG2 3.49Å; E859-V862 PolarHBondContact O-N 2.98Å
860E79.9Confident84.1Confident125 Ų12541.6 Ų41.658%0.58422%0.221SC*.THydrogen-bonded Turntrans-66.2125.2179.3-169.5142.8-143.500110.8F884 G885E860-F884 HydrophobicContact CB-CD1 3.88Å; E860-F884 HydrophobicContact CB-CE1 4.27Å; E860-F884 HydrophobicContact CG-CD1 4.38Å; E860-G885 WeakPolarHBondContact OE1-CA 3.23Å; E860-G885 PolarHBondContact OE1-N 3.37Å
861G80.6Confident83.9Confident40 Ų4044.1 Ų44.141%0.41223%0.234SC..THydrogen-bonded Turntrans110.5-9.3-174.300000114.6E859 S863E859-G861 PolarHBondContact O-N 3.46Å; G861-S863 PolarHBondContact O-N 3.31Å
862V87.3Confident83.7Confident3 Ų347.9 Ų47.92%0.01826%0.259CS..  trans-60.9131.9168.51750000110T819 V855 L858 E859 H864 V865 F888T819-V862 HydrophobicContact CG2-CG2 4.26Å; V855-V862 HydrophobicContact CG2-CG2 3.81Å; L858-V862 HydrophobicContact CD1-CB 4.23Å; L858-V862 HydrophobicContact CD1-CG1 3.98Å; L858-V862 HydrophobicContact CD1-CG2 4.31Å; E859-V862 HydrophobicContact CG-CG2 4.42Å; E859-V862 WeakPolarHBondContact O-CG2 3.49Å; E859-V862 PolarHBondContact O-N 2.98Å; V862-H864 VanDerWaalsContact CG1-O 3.28Å; V862-H864 WeakPolarHBondContact CG1-O 3.49Å; V862-V865 HydrophobicContact CG1-CG2 4.31Å; V862-F888 HydrophobicContact CG1-CB 4.32Å; V862-F888 WeakPolarHBondContact O-CB 3.47Å
863S87.1Confident83.2Confident32 Ų3250 Ų5022%0.22427%0.266CS..  trans-90.1-44.7179.862.70000112T819 G861 F888 K889T819-S863 PolarHBondContact N-OG 3.3Å; T819-S863 PolarHBondContact O-N 2.88Å; T819-S863 PolarHBondContact O-OG 3.41Å; G861-S863 PolarHBondContact O-N 3.31Å; S863-F888 WeakPolarHBondContact O-CA 3.44Å; S863-K889 PolarHBondContact O-N 3.43Å
864H90Very high82.9Confident9 Ų946.5 Ų46.54%0.04225%0.252CS..EExtended strand (participates in β ladder)trans-135.6144.3-173.6-61.985000111.5T819 I820 Y821 V862 K889 E908T819-H864 PolarHBondContact O-N 3.44Å; I820-H864 WeakPolarHBondContact CA-O 3.4Å; I820-H864 HydrophobicContact CG1-CB 4.16Å; I820-H864 HydrophobicContact CG2-CB 4.23Å; Y821-H864 PolarHBondContact N-O 2.88Å; V862-H864 VanDerWaalsContact CG1-O 3.28Å; V862-H864 WeakPolarHBondContact CG1-O 3.49Å; H864-K889 CarbonylContact C-O 3.6Å; H864-K889 WeakPolarHBondContact CA-O 3.28Å; H864-E908 IonicContact CE1-OE1 2.65Å; H864-E908 IonicContact CE1-OE2 3.2Å; H864-E908 IonicContact NE2-OE1 3.3Å; H864-E908 PolarHBondContact NE2-OE1 3.22Å; H864-E908 IonicContact NE2-OE2 2.76Å; H864-E908 PolarHBondContact NE2-OE2 3.19Å
865V89.6Confident82.6Confident0 Ų054.1 Ų54.10%028%0.283CS..EExtended strand (participates in β ladder)trans-117.4117.9170.5172.70000107.9Y821 L858 V862 I867 F888 K889 I890 V891Y821-V865 HydrophobicContact CD1-CG1 4.16Å; Y821-V865 HydrophobicContact CD1-CG2 4.4Å; Y821-V865 CarbonylContact O-C 3.56Å; Y821-V865 VanDerWaalsContact O-CA 3.32Å; Y821-V865 WeakPolarHBondContact O-CA 3.43Å; L858-V865 HydrophobicContact CD1-CG2 3.45Å; L858-V865 VanDerWaalsContact CD1-CG2 3.45Å; V862-V865 HydrophobicContact CG1-CG2 4.31Å; V865-I867 HydrophobicContact CG1-CD1 4.36Å; V865-I867 HydrophobicContact CG1-CG1 4.02Å; V865-F888 HydrophobicContact CB-CD2 4.03Å; V865-F888 HydrophobicContact CB-CE2 4.21Å; V865-F888 HydrophobicContact CG2-CD2 3.3Å; V865-F888 HydrophobicContact CG2-CE2 3.49Å; V865-F888 VanDerWaalsContact CG2-CE2 3.49Å; V865-F888 HydrophobicContact CG2-CG 3.92Å; V865-F888 HydrophobicContact CG2-CZ 4.22Å; V865-K889 PolarHBondContact N-O 2.61Å; V865-I890 HydrophobicContact CB-CG1 4.4Å; V865-I890 WeakPolarHBondContact O-CA 3.33Å; V865-V891 PolarHBondContact O-N 3.07Å
866I88.8Confident82.4Confident0 Ų057.9 Ų57.90%030%0.3CS..EExtended strand (participates in β ladder)trans-94.5124.6178-47.9-56.7000109.3I820 Y821 V822 D823 L840 L847 V891 E893 W895 V896I820-I866 HydrophobicContact CG2-CD1 4.07Å; I820-I866 HydrophobicContact CG2-CG1 3.55Å; Y821-I866 PolarHBondContact O-N 2.95Å; V822-I866 HydrophobicContact CG1-CB 4.3Å; V822-I866 HydrophobicContact CG2-CB 4.28Å; V822-I866 HydrophobicContact CG2-CG1 4.24Å; D823-I866 PolarHBondContact N-O 3.12Å; D823-I866 VanDerWaalsContact N-O 3.16Å; L840-I866 HydrophobicContact CD2-CG2 4.17Å; L847-I866 HydrophobicContact CD1-CG1 4.12Å; I866-V891 WeakPolarHBondContact CA-O 3.5Å; I866-V891 HydrophobicContact CD1-CG2 3.29Å; I866-E893 HydrophobicContact CG2-CB 3.98Å; I866-W895 HydrophobicContact CD1-CE3 3.86Å; I866-W895 HydrophobicContact CD1-CZ3 4.06Å; I866-V896 HydrophobicContact CD1-CG2 4.12Å; I866-V896 HydrophobicContact CG1-CG2 4.35Å; I866-V896 HydrophobicContact CG2-CG2 4.46Å
867I86.3Confident82.4Confident1 Ų155.4 Ų55.41%0.00528%0.284CS..EExtended strand (participates in β ladder)trans-118.4143.3177.1-55.2-178.3000109V865 D870 V874 M877 I890 V891 E893 I913V865-I867 HydrophobicContact CG1-CD1 4.36Å; V865-I867 HydrophobicContact CG1-CG1 4.02Å; I867-D870 VanDerWaalsContact CG2-O 3.26Å; I867-D870 WeakPolarHBondContact CG2-O 3.04Å; I867-V874 HydrophobicContact CD1-CG2 3.76Å; I867-M877 HydrophobicContact CD1-CG 4.46Å; I867-I890 HydrophobicContact CD1-CG2 3.36Å; I867-I890 HydrophobicContact CG1-CG2 3.98Å; I867-V891 PolarHBondContact N-O 3.06Å; I867-V891 VanDerWaalsContact N-O 3.09Å; I867-E893 PolarHBondContact O-N 3.39Å; I867-I913 HydrophobicContact CB-CD1 4.45Å
868G81Confident82.4Confident9 Ų955.4 Ų55.49%0.09328%0.283CS..  trans-78.9-159.6173.900000112.5D870 H871G868-D870 PolarHBondContact O-N 2.65Å; G868-H871 PolarHBondContact O-CE1 3.11Å; G868-H871 VanDerWaalsContact O-CE1 3.29Å; G868-H871 PolarHBondContact O-ND1 3.36Å
869E75.3Confident82.4Confident148 Ų14857.7 Ų57.769%0.69230%0.303SS*.SBendtrans-66.9-20.4-180-65.2173.8-170.900113.3R839 H871R839-E869 IonicContact CZ-OE1 2.78Å; R839-E869 IonicContact NH1-OE1 2.75Å; R839-E869 PolarHBondContact NH1-OE1 2.8Å; R839-E869 IonicContact NH2-OE1 3.59Å; E869-H871 PolarHBondContact O-N 3Å
870D76.1Confident82.2Confident104 Ų10455.1 Ų55.156%0.55629%0.292SS*.  trans-82110.7175.3-175.72.9000111.5I867 G868 S872I867-D870 VanDerWaalsContact CG2-O 3.26Å; I867-D870 WeakPolarHBondContact CG2-O 3.04Å; G868-D870 PolarHBondContact O-N 2.65Å; D870-S872 VanDerWaalsContact CG-OG 3.29Å; D870-S872 WeakPolarHBondContact OD1-CB 3.37Å; D870-S872 PolarHBondContact OD1-N 2.76Å; D870-S872 PolarHBondContact OD1-OG 2.99Å; D870-S872 PolarHBondContact OD2-OG 3.06Å
871H79.8Confident82.5Confident96 Ų9653.2 Ų53.244%0.44428%0.279SS..  trans-98.45.8179.5-63.4-22.3000114.3G868 E869 R873 V874G868-H871 PolarHBondContact O-CE1 3.11Å; G868-H871 VanDerWaalsContact O-CE1 3.29Å; G868-H871 PolarHBondContact O-ND1 3.36Å; E869-H871 PolarHBondContact O-N 3Å; H871-R873 PolarHBondContact O-N 3.36Å; H871-R873 VanDerWaalsContact O-N 3.16Å; H871-V874 HydrophobicContact CB-CG2 3.85Å; H871-V874 WeakPolarHBondContact O-CB 3.18Å; H871-V874 WeakPolarHBondContact O-CG2 3.45Å; H871-V874 PolarHBondContact O-N 2.77Å; H871-V874 VanDerWaalsContact O-N 3.14Å
872S77.4Confident82.6Confident85 Ų8561.5 Ų61.559%0.59430%0.298SS*.THydrogen-bonded Turntrans-56-34.6-178.662.20000112.8D870D870-S872 VanDerWaalsContact CG-OG 3.29Å; D870-S872 WeakPolarHBondContact OD1-CB 3.37Å; D870-S872 PolarHBondContact OD1-N 2.76Å; D870-S872 PolarHBondContact OD1-OG 2.99Å; D870-S872 PolarHBondContact OD2-OG 3.06Å
873R74.1Confident82.4Confident49 Ų4966.4 Ų66.419%0.18533%0.328CS..THydrogen-bonded Turntrans-88.5-5.1-177-54.8-169.971.2128.522.2115.2Y825 V826 H871 K875 E876 M877Y825-R873 PolarHBondContact O-NH1 3.09Å; V826-R873 PolarHBondContact O-NH1 3.25Å; H871-R873 PolarHBondContact O-N 3.36Å; H871-R873 VanDerWaalsContact O-N 3.16Å; R873-K875 PolarHBondContact O-N 2.7Å; R873-E876 IonicContact CZ-OE2 3.58Å; R873-E876 IonicContact NE-OE2 3.4Å; R873-E876 PolarHBondContact NE-OE2 3.35Å; R873-E876 IonicContact NH2-OE1 3.82Å; R873-E876 IonicContact NH2-OE2 2.9Å; R873-E876 PolarHBondContact NH2-OE2 3.04Å; R873-E876 WeakPolarHBondContact O-CB 3.49Å; R873-E876 PolarHBondContact O-N 2.98Å; R873-E876 VanDerWaalsContact O-N 3.07Å; R873-M877 PolarHBondContact O-N 2.79Å
874V81.8Confident82.2Confident11 Ų1166.6 Ų66.67%0.06733%0.325CS..Hα-helixtrans-59.4-34.6-178.2173.20000111.5I867 H871 M877 K878 I913I867-V874 HydrophobicContact CD1-CG2 3.76Å; H871-V874 HydrophobicContact CB-CG2 3.85Å; H871-V874 WeakPolarHBondContact O-CB 3.18Å; H871-V874 WeakPolarHBondContact O-CG2 3.45Å; H871-V874 PolarHBondContact O-N 2.77Å; H871-V874 VanDerWaalsContact O-N 3.14Å; V874-M877 PolarHBondContact O-N 3.19Å; V874-K878 HydrophobicContact CG1-CD 3.88Å; V874-K878 VanDerWaalsContact CG1-CE 3.49Å; V874-K878 HydrophobicContact CG1-CG 4.28Å; V874-K878 WeakPolarHBondContact O-CB 3.35Å; V874-K878 VanDerWaalsContact O-CG 3.3Å; V874-K878 WeakPolarHBondContact O-CG 3.17Å; V874-K878 PolarHBondContact O-N 2.92Å; V874-I913 HydrophobicContact CG1-CG2 4.11Å; V874-I913 HydrophobicContact CG2-CG2 3.88Å
875K81.1Confident81.6Confident180 Ų18069.6 Ų69.678%0.78336%0.358SS*.Hα-helixtrans-65.3-41.1177-69.6-178.1-178.7175.60112.3R873 K878 A879R873-K875 PolarHBondContact O-N 2.7Å; K875-K878 PolarHBondContact O-N 2.9Å; K875-A879 PolarHBondContact O-N 2.93Å
876E81.9Confident81.1Confident88 Ų8876.7 Ų76.741%0.41139%0.389SS..Hα-helixtrans-63.2-47.1175.9-171.9-177.1-167.200110.3R873 K878 A879 L880R873-E876 IonicContact CZ-OE2 3.58Å; R873-E876 IonicContact NE-OE2 3.4Å; R873-E876 PolarHBondContact NE-OE2 3.35Å; R873-E876 IonicContact NH2-OE1 3.82Å; R873-E876 IonicContact NH2-OE2 2.9Å; R873-E876 PolarHBondContact NH2-OE2 3.04Å; R873-E876 WeakPolarHBondContact O-CB 3.49Å; R873-E876 PolarHBondContact O-N 2.98Å; R873-E876 VanDerWaalsContact O-N 3.07Å; E876-K878 PolarHBondContact O-N 3.47Å; E876-A879 WeakPolarHBondContact O-CB 3.42Å; E876-A879 PolarHBondContact O-N 3.09Å; E876-A879 VanDerWaalsContact O-N 3.14Å; E876-L880 PolarHBondContact O-N 3.34Å
877M82Confident80.9Confident0 Ų083.8 Ų83.80%042%0.42CS..Hα-helixtrans-64.6-37.3177.2-62.2-61-179.400112.8Y821 V828 L858 I867 R873 V874 A879 L880 R881 I890Y821-M877 HydrophobicContact CE1-CE 4.04Å; V828-M877 HydrophobicContact CB-CE 4.2Å; V828-M877 HydrophobicContact CG1-CE 3.75Å; V828-M877 HydrophobicContact CG1-SD 4.13Å; V828-M877 HydrophobicContact CG2-CE 3.38Å; V828-M877 HydrophobicContact CG2-SD 4.3Å; L858-M877 HydrophobicContact CD2-SD 3.83Å; I867-M877 HydrophobicContact CD1-CG 4.46Å; R873-M877 PolarHBondContact O-N 2.79Å; V874-M877 PolarHBondContact O-N 3.19Å; M877-A879 VanDerWaalsContact C-N 3.32Å; M877-A879 PolarHBondContact O-N 3.16Å; M877-L880 PolarHBondContact O-N 3.13Å; M877-L880 HydrophobicContact SD-CD1 4.31Å; M877-R881 WeakPolarHBondContact O-CB 3.46Å; M877-R881 PolarHBondContact O-N 3.03Å; M877-I890 HydrophobicContact CB-CD1 4.04Å
878K83.4Confident80.9Confident76 Ų7683.9 Ų83.933%0.3342%0.42SS..Hα-helixtrans-67.8-30.4174.3-76.5177.8-179.5173.40112.2V874 K875 E876 I890 I913V874-K878 HydrophobicContact CG1-CD 3.88Å; V874-K878 VanDerWaalsContact CG1-CE 3.49Å; V874-K878 HydrophobicContact CG1-CG 4.28Å; V874-K878 WeakPolarHBondContact O-CB 3.35Å; V874-K878 VanDerWaalsContact O-CG 3.3Å; V874-K878 WeakPolarHBondContact O-CG 3.17Å; V874-K878 PolarHBondContact O-N 2.92Å; K875-K878 PolarHBondContact O-N 2.9Å; E876-K878 PolarHBondContact O-N 3.47Å; K878-I890 HydrophobicContact CG-CD1 3.78Å; K878-I913 VanDerWaalsContact CE-O 3.27Å; K878-I913 WeakPolarHBondContact CE-O 3.15Å; K878-I913 PolarHBondContact NZ-O 3.19Å; K878-I913 PolarHBondContact NZ-OXT 2.73Å
879A83.2Confident81.3Confident53 Ų5387.1 Ų87.144%0.43843%0.432SS..Hα-helixtrans-70.1-46.5172.600000111.2K875 E876 M877 R881 R882K875-A879 PolarHBondContact O-N 2.93Å; E876-A879 WeakPolarHBondContact O-CB 3.42Å; E876-A879 PolarHBondContact O-N 3.09Å; E876-A879 VanDerWaalsContact O-N 3.14Å; M877-A879 VanDerWaalsContact C-N 3.32Å; M877-A879 PolarHBondContact O-N 3.16Å; A879-R881 VanDerWaalsContact C-N 3.3Å; A879-R881 PolarHBondContact O-N 2.79Å; A879-R882 WeakPolarHBondContact O-CB 3.32Å; A879-R882 PolarHBondContact O-N 3.25Å
880L80.8Confident82Confident49 Ų4980.2 Ų80.226%0.25740%0.4SS..Hα-helixtrans-60.7-37.8173.9-70.8168.4000111.8V828 L858 E876 M877 R882 T883 F884V828-L880 HydrophobicContact CG1-CD1 4.12Å; L858-L880 HydrophobicContact CD2-CB 4.28Å; L858-L880 HydrophobicContact CD2-CD1 4.08Å; E876-L880 PolarHBondContact O-N 3.34Å; M877-L880 PolarHBondContact O-N 3.13Å; M877-L880 HydrophobicContact SD-CD1 4.31Å; L880-R882 PolarHBondContact O-N 3.29Å; L880-R882 VanDerWaalsContact O-N 3.09Å; L880-T883 PolarHBondContact O-N 2.94Å; L880-T883 PolarHBondContact O-OG1 3.39Å; L880-F884 HydrophobicContact CB-CE2 4.33Å; L880-F884 WeakPolarHBondContact O-CD2 3.44Å; L880-F884 WeakPolarHBondContact O-CE2 3.47Å
881R84.4Confident82.6Confident84 Ų8475.2 Ų75.232%0.31737%0.373SS..Hα-helixtrans-56.4-28.2174.5-169.7-177.5-177.6-161.5-0.3113.4M877 A879 T883 K887 F888M877-R881 WeakPolarHBondContact O-CB 3.46Å; M877-R881 PolarHBondContact O-N 3.03Å; A879-R881 VanDerWaalsContact C-N 3.3Å; A879-R881 PolarHBondContact O-N 2.79Å; R881-T883 VanDerWaalsContact C-N 3.35Å; R881-K887 HydrophobicContact CG-CB 4.32Å; R881-K887 HydrophobicContact CG-CG 4.46Å; R881-F888 HydrophobicContact CB-CE1 4.03Å; R881-F888 HydrophobicContact CB-CE2 4.04Å; R881-F888 HydrophobicContact CB-CZ 3.62Å; R881-F888 HydrophobicContact CG-CD2 4.48Å; R881-F888 HydrophobicContact CG-CE1 4.28Å; R881-F888 HydrophobicContact CG-CE2 4.22Å; R881-F888 HydrophobicContact CG-CZ 4.12Å; R881-F888 VanDerWaalsContact CZ-O 3.23Å; R881-F888 PolarHBondContact NE-O 3.04Å; R881-F888 PolarHBondContact NH2-O 3.26Å
882R83.9Confident83.1Confident214 Ų21471.7 Ų71.781%0.80836%0.359SS*.THydrogen-bonded Turntrans-77.8-20.1179.2-65.5172.4-177.3178-0.6112.9A879 L880A879-R882 WeakPolarHBondContact O-CB 3.32Å; A879-R882 PolarHBondContact O-N 3.25Å; L880-R882 PolarHBondContact O-N 3.29Å; L880-R882 VanDerWaalsContact O-N 3.09Å
883T82.9Confident83.5Confident106 Ų10668 Ų6865%0.6533%0.333SS*.THydrogen-bonded Turntrans-85.9-17.3-178.760.60000113.1L880 R881L880-T883 PolarHBondContact O-N 2.94Å; L880-T883 PolarHBondContact O-OG1 3.39Å; R881-T883 VanDerWaalsContact C-N 3.35Å
884F82.1Confident84.1Confident37 Ų3769.7 Ų69.716%0.16235%0.345CS..SBendtrans-91143.5179.6-63.7-72.3000112.6L858 E860 L880 F888L858-F884 HydrophobicContact CG-CE2 4.36Å; E860-F884 HydrophobicContact CB-CD1 3.88Å; E860-F884 HydrophobicContact CB-CE1 4.27Å; E860-F884 HydrophobicContact CG-CD1 4.38Å; L880-F884 HydrophobicContact CB-CE2 4.33Å; L880-F884 WeakPolarHBondContact O-CD2 3.44Å; L880-F884 WeakPolarHBondContact O-CE2 3.47Å; F884-F888 HydrophobicContact CD2-CD1 4.33Å; F884-F888 AromaticContact CD2-CE1 3.74Å; F884-F888 HydrophobicContact CD2-CE1 3.74Å; F884-F888 AromaticContact CE2-CE1 3.97Å; F884-F888 HydrophobicContact CE2-CE1 3.97Å
885G76.9Confident84.5Confident71 Ų7169.2 Ų69.273%0.73234%0.342SS*.SBendtrans-69.4-35.6176.600000112.9E860E860-G885 WeakPolarHBondContact OE1-CA 3.23Å; E860-G885 PolarHBondContact OE1-N 3.37Å
886K80.6Confident84.8Confident149 Ų14960.6 Ų60.665%0.64831%0.305SS*.SBendtrans-105117172.6-165176.2-177.6-178.30110.3F888K886-F888 PolarHBondContact O-N 3.31Å
887K84.4Confident85Confident149 Ų14957.3 Ų57.365%0.64829%0.29SS*.PPolyproline II helixtrans-78.9119.7-176.1-64.5179-177.2174.10110.9R881R881-K887 HydrophobicContact CG-CB 4.32Å; R881-K887 HydrophobicContact CG-CG 4.46Å
888F86.8Confident85.3Confident3 Ų359.4 Ų59.41%0.01330%0.301CS..PPolyproline II helixtrans-72.9159.9168.755.5-98000111.8L858 V862 S863 V865 R881 F884 K886 I890L858-F888 HydrophobicContact CD1-CD1 4.19Å; L858-F888 HydrophobicContact CD1-CE1 3.96Å; L858-F888 HydrophobicContact CD1-CZ 4.17Å; L858-F888 HydrophobicContact CD2-CE1 4.03Å; L858-F888 HydrophobicContact CD2-CZ 3.83Å; L858-F888 HydrophobicContact CG-CE1 4.19Å; L858-F888 HydrophobicContact CG-CZ 4.42Å; V862-F888 HydrophobicContact CG1-CB 4.32Å; V862-F888 WeakPolarHBondContact O-CB 3.47Å; S863-F888 WeakPolarHBondContact O-CA 3.44Å; V865-F888 HydrophobicContact CB-CD2 4.03Å; V865-F888 HydrophobicContact CB-CE2 4.21Å; V865-F888 HydrophobicContact CG2-CD2 3.3Å; V865-F888 HydrophobicContact CG2-CE2 3.49Å; V865-F888 VanDerWaalsContact CG2-CE2 3.49Å; V865-F888 HydrophobicContact CG2-CG 3.92Å; V865-F888 HydrophobicContact CG2-CZ 4.22Å; R881-F888 HydrophobicContact CB-CE1 4.03Å; R881-F888 HydrophobicContact CB-CE2 4.04Å; R881-F888 HydrophobicContact CB-CZ 3.62Å; R881-F888 HydrophobicContact CG-CD2 4.48Å; R881-F888 HydrophobicContact CG-CE1 4.28Å; R881-F888 HydrophobicContact CG-CE2 4.22Å; R881-F888 HydrophobicContact CG-CZ 4.12Å; R881-F888 VanDerWaalsContact CZ-O 3.23Å; R881-F888 PolarHBondContact NE-O 3.04Å; R881-F888 PolarHBondContact NH2-O 3.26Å; F884-F888 HydrophobicContact CD2-CD1 4.33Å; F884-F888 AromaticContact CD2-CE1 3.74Å; F884-F888 HydrophobicContact CD2-CE1 3.74Å; F884-F888 AromaticContact CE2-CE1 3.97Å; F884-F888 HydrophobicContact CE2-CE1 3.97Å; K886-F888 PolarHBondContact O-N 3.31Å; F888-I890 HydrophobicContact CD2-CG1 4.05Å; F888-I890 HydrophobicContact CE2-CD1 4.18Å; F888-I890 HydrophobicContact CE2-CG1 3.83Å
889K88.4Confident85.5Confident78 Ų7855.8 Ų55.834%0.33929%0.286SS..EExtended strand (participates in β ladder)trans-96140.7172.3-65.7178.1-175.3179.20110.1S863 H864 V865 V891 E908 L912S863-K889 PolarHBondContact O-N 3.43Å; H864-K889 CarbonylContact C-O 3.6Å; H864-K889 WeakPolarHBondContact CA-O 3.28Å; V865-K889 PolarHBondContact N-O 2.61Å; K889-V891 HydrophobicContact CB-CG1 4.49Å; K889-E908 WeakPolarHBondContact CD-OE2 3.37Å; K889-E908 WeakPolarHBondContact CE-OE2 3.47Å; K889-E908 IonicContact NZ-OE2 3.6Å; K889-E908 PolarHBondContact NZ-OE2 3.14Å; K889-L912 HydrophobicContact CB-CD2 4.03Å; K889-L912 HydrophobicContact CG-CD2 4.4Å
890I89.3Confident85.6Confident2 Ų254.6 Ų54.61%0.0127%0.273CS..EExtended strand (participates in β ladder)trans-103.9117.9176.1-56.7175.4000106.6V865 I867 M877 K878 F888 L912 I913V865-I890 HydrophobicContact CB-CG1 4.4Å; V865-I890 WeakPolarHBondContact O-CA 3.33Å; I867-I890 HydrophobicContact CD1-CG2 3.36Å; I867-I890 HydrophobicContact CG1-CG2 3.98Å; M877-I890 HydrophobicContact CB-CD1 4.04Å; K878-I890 HydrophobicContact CG-CD1 3.78Å; F888-I890 HydrophobicContact CD2-CG1 4.05Å; F888-I890 HydrophobicContact CE2-CD1 4.18Å; F888-I890 HydrophobicContact CE2-CG1 3.83Å; I890-L912 WeakPolarHBondContact O-CA 3.46Å; I890-I913 HydrophobicContact CG2-CB 4.19Å; I890-I913 PolarHBondContact O-N 3.28Å
891V90.3Very high85.8Confident0 Ų059.5 Ų59.50%030%0.295CS..EExtended strand (participates in β ladder)trans-130.3152.5-175.4-62.50000111.3V865 I866 I867 K889 W895 Y911 L912V865-V891 PolarHBondContact O-N 3.07Å; I866-V891 WeakPolarHBondContact CA-O 3.5Å; I866-V891 HydrophobicContact CD1-CG2 3.29Å; I867-V891 PolarHBondContact N-O 3.06Å; I867-V891 VanDerWaalsContact N-O 3.09Å; K889-V891 HydrophobicContact CB-CG1 4.49Å; V891-W895 HydrophobicContact CG2-CD2 4.31Å; V891-W895 HydrophobicContact CG2-CE3 3.79Å; V891-W895 HydrophobicContact CG2-CZ3 4.39Å; V891-Y911 CarbonylContact C-O 3.52Å; V891-Y911 VanDerWaalsContact CA-O 3.23Å; V891-Y911 WeakPolarHBondContact CA-O 3.42Å; V891-L912 HydrophobicContact CG1-CD2 3.9Å
892S88.6Confident85.7Confident22 Ų2260.7 Ų60.715%0.15430%0.304CS..EExtended strand (participates in β ladder)trans-67.7151.1174.6177.80000112.1L894 W895 Y911S892-L894 PolarHBondContact O-N 2.85Å; S892-L894 VanDerWaalsContact O-N 3.13Å; S892-L894 PolarHBondContact OG-N 3.01Å; S892-W895 WeakPolarHBondContact O-CB 3.38Å; S892-W895 PolarHBondContact O-N 3.41Å; S892-W895 VanDerWaalsContact O-N 3.1Å; S892-Y911 PolarHBondContact N-O 3.44Å
893E87.1Confident85.4Confident7 Ų751.3 Ų51.33%0.03327%0.274CS..THydrogen-bonded Turntrans-57.7-20.6171.466.4164.4-144.800114.3R839 L840 R843 I866 I867 W895 V896 T897R839-E893 IonicContact CZ-OE1 3.2Å; R839-E893 IonicContact NE-OE1 3.28Å; R839-E893 PolarHBondContact NE-OE1 3.14Å; R839-E893 IonicContact NH2-OE1 3Å; R839-E893 PolarHBondContact NH2-OE1 3.36Å; L840-E893 HydrophobicContact CD2-CB 3.89Å; L840-E893 WeakPolarHBondContact CD2-OE2 3.34Å; R843-E893 HydrophobicContact CG-CB 4.38Å; I866-E893 HydrophobicContact CG2-CB 3.98Å; I867-E893 PolarHBondContact O-N 3.39Å; E893-W895 PolarHBondContact O-N 2.88Å; E893-V896 PolarHBondContact O-N 3.43Å; E893-T897 PolarHBondContact O-N 3.04Å; E893-T897 PolarHBondContact O-OG1 3.5Å
894L87.1Confident85.4Confident85 Ų8551.4 Ų51.445%0.44527%0.265SS..Hα-helixtrans-62.2-31174.9-67.4175.3000112.4S892 V896 T897 D898 Y911S892-L894 PolarHBondContact O-N 2.85Å; S892-L894 VanDerWaalsContact O-N 3.13Å; S892-L894 PolarHBondContact OG-N 3.01Å; L894-V896 PolarHBondContact O-N 3.45Å; L894-T897 PolarHBondContact O-N 3.06Å; L894-T897 VanDerWaalsContact O-N 3.12Å; L894-D898 WeakPolarHBondContact O-CB 3.4Å; L894-D898 VanDerWaalsContact O-CG 3.32Å; L894-D898 PolarHBondContact O-N 2.74Å; L894-Y911 HydrophobicContact CB-CD1 3.98Å; L894-Y911 HydrophobicContact CB-CE1 4.01Å
895W89.6Confident85.4Confident0 Ų052.6 Ų52.60%028%0.277CS..Hα-helixtrans-59.1-38.3177.1177.361.9000112.2F815 I820 I866 V891 S892 E893 S899 K906 E908 Y911F815-W895 AromaticContact CD1-CH2 3.9Å; F815-W895 HydrophobicContact CD1-CH2 3.9Å; F815-W895 HydrophobicContact CD1-CZ2 4.36Å; F815-W895 HydrophobicContact CD1-CZ3 4.42Å; F815-W895 HydrophobicContact CE1-CE3 4.48Å; F815-W895 AromaticContact CE1-CH2 3.57Å; F815-W895 HydrophobicContact CE1-CH2 3.57Å; F815-W895 AromaticContact CE1-CZ2 3.75Å; F815-W895 HydrophobicContact CE1-CZ2 3.75Å; F815-W895 AromaticContact CE1-CZ3 3.95Å; F815-W895 HydrophobicContact CE1-CZ3 3.95Å; I820-W895 HydrophobicContact CD1-CZ3 4.29Å; I866-W895 HydrophobicContact CD1-CE3 3.86Å; I866-W895 HydrophobicContact CD1-CZ3 4.06Å; V891-W895 HydrophobicContact CG2-CD2 4.31Å; V891-W895 HydrophobicContact CG2-CE3 3.79Å; V891-W895 HydrophobicContact CG2-CZ3 4.39Å; S892-W895 WeakPolarHBondContact O-CB 3.38Å; S892-W895 PolarHBondContact O-N 3.41Å; S892-W895 VanDerWaalsContact O-N 3.1Å; E893-W895 PolarHBondContact O-N 2.88Å; W895-S899 WeakPolarHBondContact O-CB 3.3Å; W895-S899 PolarHBondContact O-N 3.43Å; W895-S899 VanDerWaalsContact O-N 3.16Å; W895-S899 PolarHBondContact O-OG 2.83Å; W895-K906 PolarHBondContact NE1-O 2.78Å; W895-E908 HydrophobicContact CD2-CG 4.45Å; W895-E908 HydrophobicContact CH2-CG 4.41Å; W895-E908 HydrophobicContact CZ2-CG 3.53Å; W895-Y911 HydrophobicContact CB-CD1 4.09Å; W895-Y911 HydrophobicContact CB-CD2 4.2Å; W895-Y911 HydrophobicContact CB-CG 3.78Å; W895-Y911 AromaticContact CD1-CD2 3.79Å; W895-Y911 HydrophobicContact CG-CD2 4.37Å; W895-Y911 HydrophobicContact CG-CG 4.4Å
896V86.3Confident85.7Confident0 Ų051.4 Ų51.40%025%0.251CS..Hα-helixtrans-69.2-45.3177-177.70000110R843 L847 I866 E893 L894 S899 V900R843-V896 HydrophobicContact CB-CG1 4.41Å; L847-V896 HydrophobicContact CD1-CG2 4.03Å; L847-V896 HydrophobicContact CD2-CG1 3.93Å; L847-V896 HydrophobicContact CD2-CG2 3.91Å; L847-V896 HydrophobicContact CG-CG1 3.87Å; L847-V896 HydrophobicContact CG-CG2 4.04Å; I866-V896 HydrophobicContact CD1-CG2 4.12Å; I866-V896 HydrophobicContact CG1-CG2 4.35Å; I866-V896 HydrophobicContact CG2-CG2 4.46Å; E893-V896 PolarHBondContact O-N 3.43Å; L894-V896 PolarHBondContact O-N 3.45Å; V896-S899 PolarHBondContact O-N 3.1Å; V896-V900 HydrophobicContact CG1-CG2 4.47Å; V896-V900 WeakPolarHBondContact O-CB 3.36Å; V896-V900 WeakPolarHBondContact O-CG2 3.38Å; V896-V900 PolarHBondContact O-N 3.14Å
897T86.4Confident85.9Confident18 Ų1848.8 Ų48.811%0.1125%0.245CC..Hα-helixtrans-61.4-53.5-178-46.90000111R843 E893 L894 S899 V900 E901R843-T897 PolarHBondContact NE-OG1 3.34Å; R843-T897 VanDerWaalsContact NE-OG1 3.07Å; R843-T897 PolarHBondContact NH2-OG1 3.23Å; E893-T897 PolarHBondContact O-N 3.04Å; E893-T897 PolarHBondContact O-OG1 3.5Å; L894-T897 PolarHBondContact O-N 3.06Å; L894-T897 VanDerWaalsContact O-N 3.12Å; T897-S899 VanDerWaalsContact C-N 3.3Å; T897-S899 PolarHBondContact O-N 3.32Å; T897-V900 PolarHBondContact O-N 3.02Å; T897-V900 VanDerWaalsContact O-N 3.13Å; T897-E901 PolarHBondContact O-N 3.38Å
898D88.6Confident85.8Confident44 Ų4443.5 Ų43.524%0.23522%0.222CC..Hα-helixtrans-69.2-29.8-175.8-61.32.8000112L894 E902 K906 Y911L894-D898 WeakPolarHBondContact O-CB 3.4Å; L894-D898 VanDerWaalsContact O-CG 3.32Å; L894-D898 PolarHBondContact O-N 2.74Å; D898-E902 WeakPolarHBondContact O-CB 3.27Å; D898-E902 WeakPolarHBondContact O-CG 3.33Å; D898-E902 PolarHBondContact O-N 3.17Å; D898-K906 HydrophobicContact CB-CG 4.25Å; D898-Y911 WeakPolarHBondContact CB-OH 3.39Å; D898-Y911 WeakPolarHBondContact OD2-CE1 3.39Å; D898-Y911 VanDerWaalsContact OD2-CZ 3.26Å; D898-Y911 PolarHBondContact OD2-OH 3.42Å
899S87.3Confident85.6Confident0 Ų048.5 Ų48.50%025%0.249CC..Hα-helixtrans-71.9-34174.2-63.50000112.4W895 V896 T897 G903 F904 K906W895-S899 WeakPolarHBondContact O-CB 3.3Å; W895-S899 PolarHBondContact O-N 3.43Å; W895-S899 VanDerWaalsContact O-N 3.16Å; W895-S899 PolarHBondContact O-OG 2.83Å; V896-S899 PolarHBondContact O-N 3.1Å; T897-S899 VanDerWaalsContact C-N 3.3Å; T897-S899 PolarHBondContact O-N 3.32Å; S899-G903 PolarHBondContact O-N 3.35Å; S899-G903 VanDerWaalsContact O-N 3.12Å; S899-F904 WeakPolarHBondContact CA-O 3.48Å; S899-F904 PolarHBondContact O-N 2.95Å; S899-K906 PolarHBondContact OG-N 3.44Å
900V85.4Confident85.3Confident28 Ų2852 Ų5217%0.1727%0.267CS..Hα-helixtrans-73.5-43.5177.6167.20000111.1F815 Y850 V896 T897 E902 G903F815-V900 HydrophobicContact CE2-CG2 4.48Å; Y850-V900 HydrophobicContact CD2-CG1 4.48Å; Y850-V900 HydrophobicContact CD2-CG2 3.54Å; Y850-V900 HydrophobicContact CE2-CB 4.08Å; Y850-V900 HydrophobicContact CE2-CG1 3.51Å; Y850-V900 HydrophobicContact CE2-CG2 3.4Å; Y850-V900 HydrophobicContact CG-CG2 4.47Å; V896-V900 HydrophobicContact CG1-CG2 4.47Å; V896-V900 WeakPolarHBondContact O-CB 3.36Å; V896-V900 WeakPolarHBondContact O-CG2 3.38Å; V896-V900 PolarHBondContact O-N 3.14Å; T897-V900 PolarHBondContact O-N 3.02Å; T897-V900 VanDerWaalsContact O-N 3.13Å; V900-E902 VanDerWaalsContact C-N 3.27Å; V900-E902 PolarHBondContact O-N 3.05Å; V900-G903 PolarHBondContact O-N 2.86Å
901E86.1Confident85Confident152 Ų15253.5 Ų53.571%0.7127%0.273SS*.Hα-helixtrans-61.4-36.1178.9-73.8-178.1-179.700112.6T897T897-E901 PolarHBondContact O-N 3.38Å
902E82.3Confident84.7Confident110 Ų11057.5 Ų57.551%0.51429%0.293SS..Hα-helixtrans-93.9-9-176.5-68.6-106.5-143.900113.1D898 V900 F904 K906D898-E902 WeakPolarHBondContact O-CB 3.27Å; D898-E902 WeakPolarHBondContact O-CG 3.33Å; D898-E902 PolarHBondContact O-N 3.17Å; V900-E902 VanDerWaalsContact C-N 3.27Å; V900-E902 PolarHBondContact O-N 3.05Å; E902-F904 VanDerWaalsContact C-N 3.3Å; E902-F904 HydrophobicContact CB-CD1 4.26Å; E902-F904 HydrophobicContact CB-CE1 3.95Å; E902-F904 HydrophobicContact CB-CZ 4.44Å; E902-F904 WeakPolarHBondContact O-CD1 3.36Å; E902-F904 PolarHBondContact O-N 3.29Å; E902-K906 VanDerWaalsContact CG-CE 3.41Å; E902-K906 IonicContact OE1-NZ 3.98Å; E902-K906 PolarHBondContact OE1-NZ 3.28Å; E902-K906 IonicContact OE2-NZ 3.61Å
903G77.7Confident84.2Confident17 Ų1759.6 Ų59.618%0.17530%0.302CS..THydrogen-bonded Turntrans75.111.4175.900000115.2S899 V900S899-G903 PolarHBondContact O-N 3.35Å; S899-G903 VanDerWaalsContact O-N 3.12Å; V900-G903 PolarHBondContact O-N 2.86Å
904F81.9Confident84.1Confident107 Ų10762.2 Ų62.247%0.46932%0.315SS..SBendtrans-149.4152.4174.765.2-91.3000111.5S899 E902 K906S899-F904 WeakPolarHBondContact CA-O 3.48Å; S899-F904 PolarHBondContact O-N 2.95Å; E902-F904 VanDerWaalsContact C-N 3.3Å; E902-F904 HydrophobicContact CB-CD1 4.26Å; E902-F904 HydrophobicContact CB-CE1 3.95Å; E902-F904 HydrophobicContact CB-CZ 4.44Å; E902-F904 WeakPolarHBondContact O-CD1 3.36Å; E902-F904 PolarHBondContact O-N 3.29Å; F904-K906 HydrophobicContact CE2-CD 4.18Å; F904-K906 HydrophobicContact CZ-CD 4.5Å; F904-K906 PolarHBondContact O-N 3.28Å
905P81.7Confident83.9Confident63 Ų6361 Ų6141%0.40931%0.309SS..  trans-68.4119.5-175.827.2-30.3000110.7F815F815-P905 HydrophobicContact CE1-CB 4.23Å
906K84.8Confident83.6Confident45 Ų4564.4 Ų64.420%0.19633%0.326CS..  trans-69.7158.7177.9-69.6-71.1-168.2-179.60111.1W895 D898 S899 E902 F904 E908 Y911W895-K906 PolarHBondContact NE1-O 2.78Å; D898-K906 HydrophobicContact CB-CG 4.25Å; S899-K906 PolarHBondContact OG-N 3.44Å; E902-K906 VanDerWaalsContact CG-CE 3.41Å; E902-K906 IonicContact OE1-NZ 3.98Å; E902-K906 PolarHBondContact OE1-NZ 3.28Å; E902-K906 IonicContact OE2-NZ 3.61Å; F904-K906 HydrophobicContact CE2-CD 4.18Å; F904-K906 HydrophobicContact CZ-CD 4.5Å; F904-K906 PolarHBondContact O-N 3.28Å; K906-E908 PolarHBondContact O-N 2.75Å; K906-Y911 HydrophobicContact CB-CE2 4.05Å
907N83.8Confident83.5Confident95 Ų9568.2 Ų68.251%0.50835%0.345SS..  trans-63.6112.2178.2-171.1-33.8000110.8N909 Q910 Y911N907-N909 PolarHBondContact O-N 3.16Å; N907-N909 VanDerWaalsContact O-N 3.09Å; N907-N909 WeakPolarHBondContact OD1-CB 3.26Å; N907-N909 PolarHBondContact OD1-N 3.07Å; N907-N909 VanDerWaalsContact OD1-N 3.08Å; N907-N909 PolarHBondContact OD1-ND2 2.73Å; N907-Q910 PolarHBondContact O-N 3.41Å; N907-Y911 WeakPolarHBondContact O-CD2 3.48Å
908E82.7Confident83.3Confident38 Ų3871.3 Ų71.318%0.17836%0.36CS..G310 helixtrans-57.7-26.5-175.3-64.3157.2-158.800113.7H864 K889 W895 K906 Q910 Y911 L912H864-E908 IonicContact CE1-OE1 2.65Å; H864-E908 IonicContact CE1-OE2 3.2Å; H864-E908 IonicContact NE2-OE1 3.3Å; H864-E908 PolarHBondContact NE2-OE1 3.22Å; H864-E908 IonicContact NE2-OE2 2.76Å; H864-E908 PolarHBondContact NE2-OE2 3.19Å; K889-E908 WeakPolarHBondContact CD-OE2 3.37Å; K889-E908 WeakPolarHBondContact CE-OE2 3.47Å; K889-E908 IonicContact NZ-OE2 3.6Å; K889-E908 PolarHBondContact NZ-OE2 3.14Å; W895-E908 HydrophobicContact CD2-CG 4.45Å; W895-E908 HydrophobicContact CH2-CG 4.41Å; W895-E908 HydrophobicContact CZ2-CG 3.53Å; K906-E908 PolarHBondContact O-N 2.75Å; E908-Q910 PolarHBondContact O-N 2.91Å; E908-Q910 VanDerWaalsContact O-N 3.16Å; E908-Y911 PolarHBondContact O-N 2.9Å; E908-L912 PolarHBondContact O-N 3.4Å
909N82.8Confident82.9Confident108 Ų10873.1 Ų73.158%0.57837%0.368SS*.G310 helixtrans-61.7-26.2-176.4-69.7-26.2000113.3N907 Y911N907-N909 PolarHBondContact O-N 3.16Å; N907-N909 VanDerWaalsContact O-N 3.09Å; N907-N909 WeakPolarHBondContact OD1-CB 3.26Å; N907-N909 PolarHBondContact OD1-N 3.07Å; N907-N909 VanDerWaalsContact OD1-N 3.08Å; N907-N909 PolarHBondContact OD1-ND2 2.73Å; N909-Y911 PolarHBondContact O-N 3.42Å
910Q81.1Confident82.6Confident151 Ų15178.4 Ų78.471%0.70639%0.394SS*.G310 helixtrans-77.1-12.8178.4-66176.9-12.800112.8N907 E908N907-Q910 PolarHBondContact O-N 3.41Å; E908-Q910 PolarHBondContact O-N 2.91Å; E908-Q910 VanDerWaalsContact O-N 3.16Å
911Y83.5Confident82.4Confident34 Ų3482.2 Ų82.213%0.13341%0.411CS..G310 helixtrans-121.18.6-172.7-57.2-90.7000113.1V891 S892 L894 W895 D898 K906 N907 E908 N909V891-Y911 CarbonylContact C-O 3.52Å; V891-Y911 VanDerWaalsContact CA-O 3.23Å; V891-Y911 WeakPolarHBondContact CA-O 3.42Å; S892-Y911 PolarHBondContact N-O 3.44Å; L894-Y911 HydrophobicContact CB-CD1 3.98Å; L894-Y911 HydrophobicContact CB-CE1 4.01Å; W895-Y911 HydrophobicContact CB-CD1 4.09Å; W895-Y911 HydrophobicContact CB-CD2 4.2Å; W895-Y911 HydrophobicContact CB-CG 3.78Å; W895-Y911 AromaticContact CD1-CD2 3.79Å; W895-Y911 HydrophobicContact CG-CD2 4.37Å; W895-Y911 HydrophobicContact CG-CG 4.4Å; D898-Y911 WeakPolarHBondContact CB-OH 3.39Å; D898-Y911 WeakPolarHBondContact OD2-CE1 3.39Å; D898-Y911 VanDerWaalsContact OD2-CZ 3.26Å; D898-Y911 PolarHBondContact OD2-OH 3.42Å; K906-Y911 HydrophobicContact CB-CE2 4.05Å; N907-Y911 WeakPolarHBondContact O-CD2 3.48Å; E908-Y911 PolarHBondContact O-N 2.9Å; N909-Y911 PolarHBondContact O-N 3.42Å
912L85.1Confident82.1Confident84 Ų8476.4 Ų76.444%0.4439%0.387SS..BIsolated β-bridgetrans-70.3142179.9-74.5171.6000112.4K889 I890 V891 E908K889-L912 HydrophobicContact CB-CD2 4.03Å; K889-L912 HydrophobicContact CG-CD2 4.4Å; I890-L912 WeakPolarHBondContact O-CA 3.46Å; V891-L912 HydrophobicContact CG1-CD2 3.9Å; E908-L912 PolarHBondContact O-N 3.4Å
913I77.8Confident82.1Confident65 Ų6573.4 Ų73.433%0.33338%0.375SS..  trans-117.30179.6-56169.2000112.7I867 V874 K878 I890I867-I913 HydrophobicContact CB-CD1 4.45Å; V874-I913 HydrophobicContact CG1-CG2 4.11Å; V874-I913 HydrophobicContact CG2-CG2 3.88Å; K878-I913 VanDerWaalsContact CE-O 3.27Å; K878-I913 WeakPolarHBondContact CE-O 3.15Å; K878-I913 PolarHBondContact NZ-O 3.19Å; K878-I913 PolarHBondContact NZ-OXT 2.73Å; I890-I913 HydrophobicContact CG2-CB 4.19Å; I890-I913 PolarHBondContact O-N 3.28Å

Retrieved 913 of 913 residues in 1467 ms (Link to these results)

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