A0A060Y2S9_ONCMY Loading...

Polyamine oxidase

AlphaFold DB , UniProt , Accession A0A060Y2S9, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 505 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
1M42.2Very low70.8Confident216 Ų21678.5 Ų78.5100%1.06438%0.382SS*.  0-44.30-140.8167.3168.200111.5R4 H5M1-R4 PolarHBondContact O-N 2.83Å; M1-H5 PolarHBondContact O-N 3.4Å
2A44.4Very low73.1Confident46 Ų4672.3 Ų72.338%0.3835%0.352SS..Hα-helixtrans-58.6-45.9175.100000114.8R4 H5 G6A2-R4 VanDerWaalsContact C-N 3.3Å; A2-R4 PolarHBondContact O-N 2.65Å; A2-H5 WeakPolarHBondContact O-CB 3.29Å; A2-H5 PolarHBondContact O-N 3.03Å; A2-G6 PolarHBondContact O-N 3.07Å
3L46.9Very low75.1Confident107 Ų10766.8 Ų66.856%0.5633%0.325SS*.Hα-helixtrans-57.7-36.7175.9-100.5135.4000113.5H5 G6 L7L3-H5 VanDerWaalsContact C-N 3.28Å; L3-H5 PolarHBondContact O-N 2.97Å; L3-G6 PolarHBondContact O-N 3.2Å; L3-L7 WeakPolarHBondContact O-CG 3.49Å; L3-L7 PolarHBondContact O-N 2.75Å
4R53.6Low76.8Confident201 Ų20162.7 Ų62.776%0.75831%0.306SS*.Hα-helixtrans-66.3-31.3175.8-74.7-169.9180-168.90.1112.3M1 A2M1-R4 PolarHBondContact O-N 2.83Å; A2-R4 VanDerWaalsContact C-N 3.3Å; A2-R4 PolarHBondContact O-N 2.65Å
5H61.9Low78.3Confident129 Ų12959.5 Ų59.560%0.59730%0.295SS*.Hα-helixtrans-74.6-28.5179.8-150.8-56.2000112.6M1 A2 L3 S9M1-H5 PolarHBondContact O-N 3.4Å; A2-H5 WeakPolarHBondContact O-CB 3.29Å; A2-H5 PolarHBondContact O-N 3.03Å; L3-H5 VanDerWaalsContact C-N 3.28Å; L3-H5 PolarHBondContact O-N 2.97Å; H5-S9 PolarHBondContact O-OG 3.18Å
6G72.1Confident79.6Confident0 Ų055.8 Ų55.80%028%0.277CS..Hα-helixtrans-74.5-38.5175.800000114.1A2 L3 D8 S9 F32A2-G6 PolarHBondContact O-N 3.07Å; L3-G6 PolarHBondContact O-N 3.2Å; G6-D8 PolarHBondContact O-N 3.21Å; G6-S9 VanDerWaalsContact O-CB 3.29Å; G6-S9 WeakPolarHBondContact O-CB 3.48Å; G6-S9 PolarHBondContact O-N 2.65Å; G6-S9 VanDerWaalsContact O-N 3.07Å; G6-S9 PolarHBondContact O-OG 2.72Å; G6-F32 WeakPolarHBondContact O-CD1 3.44Å; G6-F32 WeakPolarHBondContact O-CE1 3.36Å
7L82.6Confident80.7Confident40 Ų4053.2 Ų53.221%0.20927%0.268CS..Hα-helixtrans-62.3-28-177.3-61.4170.7000113.1L3 H30 G31 R33L3-L7 WeakPolarHBondContact O-CG 3.49Å; L3-L7 PolarHBondContact O-N 2.75Å; L7-H30 WeakPolarHBondContact CD2-O 3.33Å; L7-G31 VanDerWaalsContact CD2-C 3.42Å; L7-G31 VanDerWaalsContact CD2-O 3.3Å; L7-G31 WeakPolarHBondContact CD2-O 3.38Å; L7-R33 PolarHBondContact O-N 3.01Å
8D88.3Confident81.7Confident67 Ų6750.7 Ų50.736%0.35826%0.256SS..THydrogen-bonded Turntrans-99.910.4-180-59.6-37.1000113G6 R33 N34 R257G6-D8 PolarHBondContact O-N 3.21Å; D8-R33 IonicContact OD1-NH1 3.17Å; D8-R33 PolarHBondContact OD1-NH1 3.48Å; D8-R33 VanDerWaalsContact OD1-NH1 3.09Å; D8-N34 WeakPolarHBondContact CA-ND2 3.37Å; D8-N34 PolarHBondContact O-ND2 3.28Å; D8-R257 PolarHBondContact O-NH1 2.96Å
9S92.4Very high82.6Confident0 Ų048.4 Ų48.40%025%0.245CC..  trans-68.8133.5173.5-660000112.4H5 G6 I11 N34 D274 Y492H5-S9 PolarHBondContact O-OG 3.18Å; G6-S9 VanDerWaalsContact O-CB 3.29Å; G6-S9 WeakPolarHBondContact O-CB 3.48Å; G6-S9 PolarHBondContact O-N 2.65Å; G6-S9 VanDerWaalsContact O-N 3.07Å; G6-S9 PolarHBondContact O-OG 2.72Å; S9-I11 PolarHBondContact O-N 2.99Å; S9-N34 WeakPolarHBondContact O-CB 3.31Å; S9-D274 WeakPolarHBondContact CA-OD2 3.37Å; S9-Y492 PolarHBondContact OG-OH 3.03Å
10Q96.2Very high83.4Confident57 Ų5746 Ų4627%0.26623%0.233SC..EExtended strand (participates in β ladder)trans-76.2105.5173.2-60.9-63.3-42.700109N34 Y259 D274 H275Q10-N34 WeakPolarHBondContact CA-O 3.45Å; Q10-N34 VanDerWaalsContact NE2-CB 3.32Å; Q10-N34 PolarHBondContact NE2-ND2 3.02Å; Q10-Y259 HydrophobicContact CB-CE1 4.1Å; Q10-Y259 HydrophobicContact CG-CE1 3.59Å; Q10-D274 WeakPolarHBondContact CB-OD2 3.44Å; Q10-D274 PolarHBondContact N-OD2 2.92Å; Q10-D274 PolarHBondContact O-N 2.97Å; Q10-H275 PolarHBondContact O-N 2.84Å
11I98.3Very high84.1Confident1 Ų143.8 Ų43.81%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-111.8122.9178.7-58.5169.3000108.2S9 L27 F32 N34 V35 R36 H275 L488S9-I11 PolarHBondContact O-N 2.99Å; I11-L27 HydrophobicContact CD1-CD1 4.04Å; I11-L27 HydrophobicContact CD1-CD2 4.04Å; I11-L27 HydrophobicContact CG2-CD1 3.92Å; I11-F32 HydrophobicContact CD1-CD1 3.4Å; I11-F32 HydrophobicContact CD1-CE1 3.77Å; I11-F32 HydrophobicContact CD1-CG 4.17Å; I11-N34 PolarHBondContact N-O 2.86Å; I11-V35 HydrophobicContact CB-CG2 4.49Å; I11-V35 CarbonylContact O-C 3.59Å; I11-V35 WeakPolarHBondContact O-CA 3.03Å; I11-R36 PolarHBondContact O-N 2.9Å; I11-H275 WeakPolarHBondContact CA-O 3.35Å; I11-H275 HydrophobicContact CG1-CB 4.39Å; I11-L488 HydrophobicContact CD1-CD1 3.87Å; I11-L488 HydrophobicContact CG1-CD1 4.26Å; I11-L488 HydrophobicContact CG2-CD1 4.01Å
12V98.8Very high86.8Confident4 Ų433.5 Ų33.52%0.02417%0.171CC..EExtended strand (participates in β ladder)trans-108.9135.7175.3-176.90000109.8R36 L38 L263 I271 A273 H275 V276 I277V12-R36 CarbonylContact C-O 3.59Å; V12-R36 WeakPolarHBondContact CA-O 3.29Å; V12-L38 HydrophobicContact CG1-CD1 3.73Å; V12-L38 HydrophobicContact CG1-CG 3.74Å; V12-L263 HydrophobicContact CB-CD1 3.75Å; V12-L263 HydrophobicContact CB-CD2 4.16Å; V12-L263 HydrophobicContact CG1-CD1 3.93Å; V12-L263 HydrophobicContact CG1-CD2 3.52Å; V12-L263 HydrophobicContact CG1-CG 4.37Å; V12-L263 HydrophobicContact CG2-CD1 3.93Å; V12-I271 HydrophobicContact CG2-CG2 4.08Å; V12-A273 HydrophobicContact CB-CB 4.42Å; V12-A273 HydrophobicContact CG2-CB 3.82Å; V12-H275 PolarHBondContact N-O 3.31Å; V12-V276 CarbonylContact O-C 3.49Å; V12-V276 WeakPolarHBondContact O-CA 3.49Å; V12-V276 WeakPolarHBondContact O-CG2 3.39Å; V12-I277 PolarHBondContact O-N 2.95Å
13I98.9Very high89.4Confident0 Ų031.3 Ų31.30%015%0.153CC..EExtended strand (participates in β ladder)trans-114.5125.3176.8-59.1169.8000106.9A23 A24 L27 V35 R36 I37 L38 I277 T279I13-A23 HydrophobicContact CD1-CB 4.15Å; I13-A24 HydrophobicContact CD1-CB 3.67Å; I13-L27 HydrophobicContact CD1-CD1 4.45Å; I13-V35 HydrophobicContact CD1-CG1 3.81Å; I13-V35 HydrophobicContact CG1-CG1 4.49Å; I13-R36 PolarHBondContact N-O 2.66Å; I13-I37 HydrophobicContact CB-CG1 4.18Å; I13-I37 HydrophobicContact CD1-CG1 4.32Å; I13-I37 CarbonylContact O-C 3.34Å; I13-I37 VanDerWaalsContact O-CA 3.31Å; I13-I37 WeakPolarHBondContact O-CA 3.42Å; I13-L38 PolarHBondContact O-N 2.94Å; I13-I277 WeakPolarHBondContact CA-O 3.4Å; I13-I277 HydrophobicContact CG1-CB 4.18Å; I13-I277 HydrophobicContact CG1-CD1 4.31Å; I13-I277 HydrophobicContact CG1-CG1 4.45Å; I13-T279 HydrophobicContact CG2-CG2 4.17Å
14V98.9Very high91.9Very high10 Ų1026.2 Ų26.26%0.06113%0.126CC..EExtended strand (participates in β ladder)trans-98.8111.3178.9-176.70000108.5V243 L263 V276 I277 L278 T279 V280V14-V243 HydrophobicContact CG1-CB 4.11Å; V14-V243 HydrophobicContact CG1-CG2 3.95Å; V14-V243 HydrophobicContact CG2-CG2 4.07Å; V14-L263 HydrophobicContact CG2-CD2 3.44Å; V14-L263 VanDerWaalsContact CG2-CD2 3.44Å; V14-V276 HydrophobicContact CG2-CG2 3.79Å; V14-I277 PolarHBondContact N-O 3.11Å; V14-L278 HydrophobicContact CB-CD2 3.73Å; V14-L278 HydrophobicContact CG1-CD2 4.3Å; V14-L278 HydrophobicContact CG2-CD2 3.69Å; V14-T279 WeakPolarHBondContact O-CA 3.27Å; V14-T279 WeakPolarHBondContact O-CB 3.45Å; V14-T279 PolarHBondContact O-N 3.28Å; V14-T279 PolarHBondContact O-OG1 2.89Å; V14-V280 HydrophobicContact CG1-CG1 4.06Å
15G98.8Very high94Very high14 Ų1417.1 Ų17.114%0.1449%0.092CC..  trans104.8128.4-175.300000113G17 I37 L38 T279G15-G17 VanDerWaalsContact C-N 3.35Å; G15-I37 WeakPolarHBondContact O-CG2 3.46Å; G15-L38 PolarHBondContact N-O 3.4Å; G15-T279 PolarHBondContact O-OG1 2.86Å
16C98.7Very high95.8Very high0 Ų014 Ų140%08%0.077CC..  trans-101.136.2173.7-161.10000111.5I21 I37 E39 S44 G45 V237C16-I21 WeakPolarHBondContact O-CD1 3.19Å; C16-I37 HydrophobicContact CB-CG2 3.71Å; C16-E39 HydrophobicContact CB-CB 3.76Å; C16-E39 HydrophobicContact CB-CG 3.85Å; C16-E39 WeakPolarHBondContact CB-OE2 3.47Å; C16-E39 PolarHBondContact N-OE2 3.46Å; C16-S44 PolarHBondContact SG-OG 2.95Å; C16-G45 PolarHBondContact O-N 3.22Å; C16-V237 HydrophobicContact CB-CG1 4.3Å
17G98.8Very high97Very high13 Ų1314 Ų1413%0.1348%0.077CC..BIsolated β-bridgetrans-75.3174.6163.200000111.7G15 S19 G20 I21G15-G17 VanDerWaalsContact C-N 3.35Å; G17-S19 PolarHBondContact O-N 2.8Å; G17-G20 PolarHBondContact O-N 3.04Å; G17-I21 WeakPolarHBondContact O-CG1 3.09Å; G17-I21 PolarHBondContact O-N 3.25Å
18I98.8Very high97.7Very high8 Ų813.6 Ų13.64%0.0418%0.076CC..Hα-helixtrans-58.8-32.4-175.8-162.3171.8000114G22 I48 V74 L224 I225 L228 V474 A477 L478I18-G22 PolarHBondContact O-N 3.07Å; I18-I48 HydrophobicContact CB-CD1 3.87Å; I18-I48 HydrophobicContact CD1-CD1 4.12Å; I18-I48 HydrophobicContact CG1-CD1 4.5Å; I18-I48 HydrophobicContact CG2-CD1 4.19Å; I18-V74 HydrophobicContact CD1-CG2 4.42Å; I18-L224 HydrophobicContact CD1-CD2 3.89Å; I18-I225 HydrophobicContact CB-CD1 4.22Å; I18-I225 HydrophobicContact CG1-CD1 4.32Å; I18-L228 HydrophobicContact CG1-CD1 4.37Å; I18-V474 HydrophobicContact CD1-CG1 3.36Å; I18-V474 HydrophobicContact CG2-CG1 4.19Å; I18-A477 HydrophobicContact CG2-CB 3.55Å; I18-L478 HydrophobicContact CD1-CB 4.23Å; I18-L478 HydrophobicContact CG1-CB 4.27Å; I18-L478 HydrophobicContact CG1-CD1 4.24Å
19S98.8Very high98.1Very high7 Ų717.1 Ų17.15%0.0499%0.088CC..Hα-helixtrans-64.7-46.6174.5500000111.6G17 G22 A23 T279 A477 G481G17-S19 PolarHBondContact O-N 2.8Å; S19-G22 PolarHBondContact O-N 3.23Å; S19-A23 WeakPolarHBondContact O-CB 3.14Å; S19-A23 PolarHBondContact O-N 3Å; S19-T279 WeakPolarHBondContact OG-CB 3.43Å; S19-A477 VanDerWaalsContact CA-O 3.28Å; S19-A477 WeakPolarHBondContact CA-O 3.4Å; S19-A477 WeakPolarHBondContact CB-O 3.46Å; S19-G481 VanDerWaalsContact O-CA 3.27Å; S19-G481 WeakPolarHBondContact O-CA 3.35Å
20G98.9Very high98.3Very high0 Ų021.8 Ų21.80%011%0.11CC..Hα-helixtrans-65.7-43.6177.200000112.5G17 A23 A24G17-G20 PolarHBondContact O-N 3.04Å; G20-A23 PolarHBondContact O-N 3.28Å; G20-A24 WeakPolarHBondContact O-CB 3.47Å; G20-A24 PolarHBondContact O-N 3.03Å
21I98.9Very high98.2Very high0 Ų020.7 Ų20.70%011%0.114CC..Hα-helixtrans-61.8-46.8175.1-65.9168.9000110.6C16 G17 A23 A24 L25 I225 L228 M229 L232C16-I21 WeakPolarHBondContact O-CD1 3.19Å; G17-I21 WeakPolarHBondContact O-CG1 3.09Å; G17-I21 PolarHBondContact O-N 3.25Å; I21-A23 VanDerWaalsContact C-N 3.34Å; I21-A23 PolarHBondContact O-N 2.65Å; I21-A24 PolarHBondContact O-N 2.91Å; I21-L25 HydrophobicContact CG2-CD1 3.97Å; I21-L25 HydrophobicContact CG2-CG 4.48Å; I21-L25 WeakPolarHBondContact O-CB 3.48Å; I21-L25 WeakPolarHBondContact O-CG 3.32Å; I21-L25 PolarHBondContact O-N 3.5Å; I21-I225 HydrophobicContact CD1-CD1 4.13Å; I21-I225 HydrophobicContact CD1-CG2 3.92Å; I21-L228 HydrophobicContact CG2-CB 3.67Å; I21-L228 HydrophobicContact CG2-CD1 4.3Å; I21-M229 HydrophobicContact CD1-CG 4.23Å; I21-M229 HydrophobicContact CD1-SD 3.72Å; I21-M229 HydrophobicContact CG1-SD 3.78Å; I21-M229 HydrophobicContact CG2-SD 4.35Å; I21-L232 HydrophobicContact CG2-CD1 4.28Å
22G98.8Very high98.1Very high0 Ų021.1 Ų21.10%012%0.116CC..Hα-helixtrans-60.3-42.4177.500000112.7I18 S19 K26 W482I18-G22 PolarHBondContact O-N 3.07Å; S19-G22 PolarHBondContact O-N 3.23Å; G22-K26 WeakPolarHBondContact O-CB 3.3Å; G22-K26 PolarHBondContact O-N 3.47Å; G22-K26 VanDerWaalsContact O-N 3.1Å; G22-W482 VanDerWaalsContact O-CD1 3.3Å
23A98.9Very high97.9Very high0 Ų029.1 Ų29.10%015%0.145CC..Hα-helixtrans-62.5-48174.700000111.6I13 S19 G20 I21 L25 K26 L27 I277 G481 A485I13-A23 HydrophobicContact CD1-CB 4.15Å; S19-A23 WeakPolarHBondContact O-CB 3.14Å; S19-A23 PolarHBondContact O-N 3Å; G20-A23 PolarHBondContact O-N 3.28Å; I21-A23 VanDerWaalsContact C-N 3.34Å; I21-A23 PolarHBondContact O-N 2.65Å; A23-L25 PolarHBondContact O-N 2.94Å; A23-K26 PolarHBondContact O-N 3.02Å; A23-L27 WeakPolarHBondContact O-CG 3.41Å; A23-L27 PolarHBondContact O-N 3.34Å; A23-I277 HydrophobicContact CB-CD1 3.97Å; A23-G481 WeakPolarHBondContact CA-O 3.46Å; A23-G481 WeakPolarHBondContact CB-O 3.29Å; A23-A485 HydrophobicContact CB-CB 4.29Å; A23-A485 WeakPolarHBondContact O-CB 3.46Å
24A98.8Very high97.7Very high0 Ų031.8 Ų31.80%016%0.159CC..Hα-helixtrans-59.2-48.6178.900000111.9I13 G20 I21 K26 L27 T28 V35 I37 L232 I236I13-A24 HydrophobicContact CD1-CB 3.67Å; G20-A24 WeakPolarHBondContact O-CB 3.47Å; G20-A24 PolarHBondContact O-N 3.03Å; I21-A24 PolarHBondContact O-N 2.91Å; A24-K26 VanDerWaalsContact C-N 3.31Å; A24-K26 PolarHBondContact O-N 2.96Å; A24-L27 PolarHBondContact O-N 2.7Å; A24-T28 WeakPolarHBondContact O-CG2 3.25Å; A24-T28 PolarHBondContact O-N 2.73Å; A24-T28 PolarHBondContact O-OG1 3.43Å; A24-T28 VanDerWaalsContact O-OG1 3.05Å; A24-V35 HydrophobicContact CB-CG1 4.29Å; A24-I37 HydrophobicContact CB-CD1 3.73Å; A24-I37 HydrophobicContact CB-CG1 4.17Å; A24-L232 HydrophobicContact CB-CD1 4.3Å; A24-L232 HydrophobicContact CB-CD2 3.86Å; A24-I236 HydrophobicContact CB-CD1 4.3Å
25L98.4Very high97.7Very high9 Ų932 Ų325%0.04716%0.161CC..Hα-helixtrans-58.4-44.3178.5-81.5169.4000111.8I21 A23 T28 K29 L228 E231 L232I21-L25 HydrophobicContact CG2-CD1 3.97Å; I21-L25 HydrophobicContact CG2-CG 4.48Å; I21-L25 WeakPolarHBondContact O-CB 3.48Å; I21-L25 WeakPolarHBondContact O-CG 3.32Å; I21-L25 PolarHBondContact O-N 3.5Å; A23-L25 PolarHBondContact O-N 2.94Å; L25-T28 PolarHBondContact O-OG1 3.39Å; L25-T28 VanDerWaalsContact O-OG1 3.12Å; L25-K29 VanDerWaalsContact O-CB 3.28Å; L25-K29 WeakPolarHBondContact O-CB 3.27Å; L25-K29 VanDerWaalsContact O-CG 3.24Å; L25-K29 WeakPolarHBondContact O-CG 3.41Å; L25-K29 PolarHBondContact O-N 3.4Å; L25-L228 HydrophobicContact CD1-CB 3.87Å; L25-L228 HydrophobicContact CD1-CD2 3.4Å; L25-L228 VanDerWaalsContact CD1-CD2 3.4Å; L25-L228 HydrophobicContact CD1-CG 4.19Å; L25-E231 HydrophobicContact CD2-CB 3.5Å; L25-L232 HydrophobicContact CB-CD2 4.31Å; L25-L232 HydrophobicContact CD2-CD2 3.58Å; L25-L232 HydrophobicContact CD2-CG 3.75Å; L25-L232 HydrophobicContact CG-CD2 3.67Å; L25-L232 HydrophobicContact CG-CG 3.94Å
26K98.4Very high97.7Very high64 Ų6436.3 Ų36.328%0.27817%0.173SC..Hα-helixtrans-66.7-42.8-179.9-167.8167.7-176177.70111G22 A23 A24 H30 W482 A485 I489G22-K26 WeakPolarHBondContact O-CB 3.3Å; G22-K26 PolarHBondContact O-N 3.47Å; G22-K26 VanDerWaalsContact O-N 3.1Å; A23-K26 PolarHBondContact O-N 3.02Å; A24-K26 VanDerWaalsContact C-N 3.31Å; A24-K26 PolarHBondContact O-N 2.96Å; K26-H30 PolarHBondContact O-N 2.89Å; K26-H30 PolarHBondContact O-ND1 3.18Å; K26-W482 HydrophobicContact CD-CB 3.86Å; K26-W482 HydrophobicContact CD-CG 4.03Å; K26-W482 WeakPolarHBondContact CD-O 3.39Å; K26-W482 PolarHBondContact NZ-O 2.77Å; K26-A485 HydrophobicContact CB-CB 3.8Å; K26-A485 HydrophobicContact CD-CB 4.09Å; K26-A485 HydrophobicContact CG-CB 4.09Å; K26-I489 HydrophobicContact CG-CD1 4.15Å
27L98.3Very high97.7Very high0 Ų036.3 Ų36.30%017%0.173CC..Hα-helixtrans-63.4-47.9176.7-71.2168.6000112.3I11 I13 A23 A24 K29 H30 G31 F32 V35 I277 A485 L488 I489I11-L27 HydrophobicContact CD1-CD1 4.04Å; I11-L27 HydrophobicContact CD1-CD2 4.04Å; I11-L27 HydrophobicContact CG2-CD1 3.92Å; I13-L27 HydrophobicContact CD1-CD1 4.45Å; A23-L27 WeakPolarHBondContact O-CG 3.41Å; A23-L27 PolarHBondContact O-N 3.34Å; A24-L27 PolarHBondContact O-N 2.7Å; L27-K29 PolarHBondContact O-N 3.5Å; L27-H30 CarbonylContact O-C 3.57Å; L27-H30 PolarHBondContact O-N 2.78Å; L27-H30 VanDerWaalsContact O-N 3.1Å; L27-G31 PolarHBondContact O-N 3.02Å; L27-F32 HydrophobicContact CB-CB 4.21Å; L27-F32 HydrophobicContact CB-CD2 4.46Å; L27-F32 HydrophobicContact CB-CG 4.44Å; L27-F32 HydrophobicContact CD2-CD2 4.04Å; L27-F32 HydrophobicContact CD2-CE2 4.2Å; L27-F32 HydrophobicContact CD2-CG 4.2Å; L27-F32 HydrophobicContact CD2-CZ 4.48Å; L27-F32 WeakPolarHBondContact O-CB 3.42Å; L27-F32 WeakPolarHBondContact O-CD2 3.13Å; L27-F32 PolarHBondContact O-N 3.43Å; L27-F32 VanDerWaalsContact O-N 3.16Å; L27-V35 HydrophobicContact CB-CG2 3.96Å; L27-V35 HydrophobicContact CD1-CG1 4.41Å; L27-V35 HydrophobicContact CD1-CG2 4.32Å; L27-I277 HydrophobicContact CD1-CD1 4.09Å; L27-A485 HydrophobicContact CD2-CB 4.15Å; L27-A485 HydrophobicContact CG-CB 3.82Å; L27-L488 HydrophobicContact CD2-CB 4.16Å; L27-L488 HydrophobicContact CD2-CD1 4.42Å; L27-I489 HydrophobicContact CD2-CG1 4.3Å
28T97.1Very high97.7Very high31 Ų3135.8 Ų35.819%0.1917%0.167CC..Hα-helixtrans-66-39.7-178.856.20000111.8A24 L25 H30 G31 V35 P233 I236A24-T28 WeakPolarHBondContact O-CG2 3.25Å; A24-T28 PolarHBondContact O-N 2.73Å; A24-T28 PolarHBondContact O-OG1 3.43Å; A24-T28 VanDerWaalsContact O-OG1 3.05Å; L25-T28 PolarHBondContact O-OG1 3.39Å; L25-T28 VanDerWaalsContact O-OG1 3.12Å; T28-H30 PolarHBondContact O-N 2.9Å; T28-G31 PolarHBondContact O-N 3.01Å; T28-V35 HydrophobicContact CG2-CB 4.42Å; T28-V35 HydrophobicContact CG2-CG2 4.36Å; T28-P233 HydrophobicContact CG2-CG 4.17Å; T28-I236 HydrophobicContact CG2-CD1 3.95Å
29K96.3Very high97.7Very high141 Ų14136.1 Ų36.161%0.61317%0.168SC*.Hα-helixtrans-61.9-26.6172.8-75.3179.8179179.80113.2L25 L27 G31 E231L25-K29 VanDerWaalsContact O-CB 3.28Å; L25-K29 WeakPolarHBondContact O-CB 3.27Å; L25-K29 VanDerWaalsContact O-CG 3.24Å; L25-K29 WeakPolarHBondContact O-CG 3.41Å; L25-K29 PolarHBondContact O-N 3.4Å; L27-K29 PolarHBondContact O-N 3.5Å; K29-G31 VanDerWaalsContact C-N 3.29Å; K29-E231 WeakPolarHBondContact CE-OE2 3.46Å; K29-E231 IonicContact NZ-OE2 3.21Å; K29-E231 PolarHBondContact NZ-OE2 2.67Å
30H95.9Very high97.7Very high99 Ų9936.9 Ų36.946%0.45818%0.175SC..THydrogen-bonded Turntrans-90.410.7173.5-69.974.9000113.2L7 K26 L27 T28 F32 I489L7-H30 WeakPolarHBondContact CD2-O 3.33Å; K26-H30 PolarHBondContact O-N 2.89Å; K26-H30 PolarHBondContact O-ND1 3.18Å; L27-H30 CarbonylContact O-C 3.57Å; L27-H30 PolarHBondContact O-N 2.78Å; L27-H30 VanDerWaalsContact O-N 3.1Å; T28-H30 PolarHBondContact O-N 2.9Å; H30-F32 HydrophobicContact CB-CD2 4.35Å; H30-F32 HydrophobicContact CB-CE2 4.5Å; H30-I489 HydrophobicContact CB-CD1 3.89Å; H30-I489 HydrophobicContact CB-CG1 4.05Å; H30-I489 VanDerWaalsContact CG-CD1 3.47Å
31G94.9Very high97.7Very high33 Ų3338.2 Ų38.234%0.3418%0.183SC..THydrogen-bonded Turntrans87.75.4170.300000115.7L7 L27 T28 K29 R33L7-G31 VanDerWaalsContact CD2-C 3.42Å; L7-G31 VanDerWaalsContact CD2-O 3.3Å; L7-G31 WeakPolarHBondContact CD2-O 3.38Å; L27-G31 PolarHBondContact O-N 3.02Å; T28-G31 PolarHBondContact O-N 3.01Å; K29-G31 VanDerWaalsContact C-N 3.29Å; G31-R33 WeakPolarHBondContact O-CG 3.21Å; G31-R33 PolarHBondContact O-N 3.35Å
32F96Very high97.6Very high11 Ų1140.3 Ų40.35%0.04821%0.205CC..  trans-64.4124.3171.9-73.2-102.3000109.6G6 I11 L27 H30 V35 I489 Y492G6-F32 WeakPolarHBondContact O-CD1 3.44Å; G6-F32 WeakPolarHBondContact O-CE1 3.36Å; I11-F32 HydrophobicContact CD1-CD1 3.4Å; I11-F32 HydrophobicContact CD1-CE1 3.77Å; I11-F32 HydrophobicContact CD1-CG 4.17Å; L27-F32 HydrophobicContact CB-CB 4.21Å; L27-F32 HydrophobicContact CB-CD2 4.46Å; L27-F32 HydrophobicContact CB-CG 4.44Å; L27-F32 HydrophobicContact CD2-CD2 4.04Å; L27-F32 HydrophobicContact CD2-CE2 4.2Å; L27-F32 HydrophobicContact CD2-CG 4.2Å; L27-F32 HydrophobicContact CD2-CZ 4.48Å; L27-F32 WeakPolarHBondContact O-CB 3.42Å; L27-F32 WeakPolarHBondContact O-CD2 3.13Å; L27-F32 PolarHBondContact O-N 3.43Å; L27-F32 VanDerWaalsContact O-N 3.16Å; H30-F32 HydrophobicContact CB-CD2 4.35Å; H30-F32 HydrophobicContact CB-CE2 4.5Å; F32-V35 HydrophobicContact CB-CG2 3.9Å; F32-I489 HydrophobicContact CE2-CG1 3.74Å; F32-I489 HydrophobicContact CZ-CG1 4.43Å; F32-Y492 AromaticContact CE1-CD2 3.72Å; F32-Y492 HydrophobicContact CE1-CD2 3.72Å; F32-Y492 HydrophobicContact CE1-CE2 4.08Å; F32-Y492 AromaticContact CZ-CD2 3.84Å; F32-Y492 HydrophobicContact CZ-CD2 3.84Å
33R94.5Very high97.6Very high172 Ų17243.2 Ų43.265%0.64922%0.215SC*.  trans-96.6-27.9-169.6-60.7176.3-177.7151.9-7.3113.6L7 D8 G31L7-R33 PolarHBondContact O-N 3.01Å; D8-R33 IonicContact OD1-NH1 3.17Å; D8-R33 PolarHBondContact OD1-NH1 3.48Å; D8-R33 VanDerWaalsContact OD1-NH1 3.09Å; G31-R33 WeakPolarHBondContact O-CG 3.21Å; G31-R33 PolarHBondContact O-N 3.35Å
34N96.1Very high97.5Very high55 Ų5544 Ų4429%0.29422%0.221SC..EExtended strand (participates in β ladder)trans-109.657.3-172.5-57.6-44.5000110.9D8 S9 Q10 I11D8-N34 WeakPolarHBondContact CA-ND2 3.37Å; D8-N34 PolarHBondContact O-ND2 3.28Å; S9-N34 WeakPolarHBondContact O-CB 3.31Å; Q10-N34 WeakPolarHBondContact CA-O 3.45Å; Q10-N34 VanDerWaalsContact NE2-CB 3.32Å; Q10-N34 PolarHBondContact NE2-ND2 3.02Å; I11-N34 PolarHBondContact N-O 2.86Å
35V98.4Very high97.5Very high14 Ų1444 Ų449%0.08522%0.221CC..EExtended strand (participates in β ladder)trans-98.8136.1173.7-174.90000108.4I11 I13 A24 L27 T28 F32 I236I11-V35 HydrophobicContact CB-CG2 4.49Å; I11-V35 CarbonylContact O-C 3.59Å; I11-V35 WeakPolarHBondContact O-CA 3.03Å; I13-V35 HydrophobicContact CD1-CG1 3.81Å; I13-V35 HydrophobicContact CG1-CG1 4.49Å; A24-V35 HydrophobicContact CB-CG1 4.29Å; L27-V35 HydrophobicContact CB-CG2 3.96Å; L27-V35 HydrophobicContact CD1-CG1 4.41Å; L27-V35 HydrophobicContact CD1-CG2 4.32Å; T28-V35 HydrophobicContact CG2-CB 4.42Å; T28-V35 HydrophobicContact CG2-CG2 4.36Å; F32-V35 HydrophobicContact CB-CG2 3.9Å; V35-I236 HydrophobicContact CB-CD1 4.14Å; V35-I236 HydrophobicContact CG1-CD1 4.11Å; V35-I236 VanDerWaalsContact O-CG1 3.31Å; V35-I236 WeakPolarHBondContact O-CG1 3.49Å
36R98.3Very high97.5Very high106 Ų10644.5 Ų44.540%0.423%0.229SC..EExtended strand (participates in β ladder)trans-137.1138.3173.5-175.7178.3-66.3-175.1-1.3110.4I11 V12 I13 L38 I236I11-R36 PolarHBondContact O-N 2.9Å; V12-R36 CarbonylContact C-O 3.59Å; V12-R36 WeakPolarHBondContact CA-O 3.29Å; I13-R36 PolarHBondContact N-O 2.66Å; R36-L38 HydrophobicContact CG-CD2 4.02Å; R36-I236 CarbonylContact C-O 3.54Å; R36-I236 WeakPolarHBondContact CA-O 3.31Å
37I98.9Very high97.4Very high0 Ų044 Ų440%023%0.225CC..EExtended strand (participates in β ladder)trans-102.7131171-51.6178.7000108.7I13 G15 C16 A24 L232 I236 V237 S238I13-I37 HydrophobicContact CB-CG1 4.18Å; I13-I37 HydrophobicContact CD1-CG1 4.32Å; I13-I37 CarbonylContact O-C 3.34Å; I13-I37 VanDerWaalsContact O-CA 3.31Å; I13-I37 WeakPolarHBondContact O-CA 3.42Å; G15-I37 WeakPolarHBondContact O-CG2 3.46Å; C16-I37 HydrophobicContact CB-CG2 3.71Å; A24-I37 HydrophobicContact CB-CD1 3.73Å; A24-I37 HydrophobicContact CB-CG1 4.17Å; I37-L232 HydrophobicContact CD1-CD1 4.29Å; I37-I236 PolarHBondContact N-O 3.4Å; I37-V237 HydrophobicContact CB-CB 4.48Å; I37-V237 HydrophobicContact CB-CG1 4.27Å; I37-V237 HydrophobicContact CB-CG2 4.15Å; I37-V237 HydrophobicContact CD1-CG2 4.14Å; I37-V237 HydrophobicContact CG2-CG1 4.37Å; I37-V237 CarbonylContact O-C 3.6Å; I37-V237 WeakPolarHBondContact O-CA 3.4Å; I37-S238 PolarHBondContact O-N 3.48Å
38L98.9Very high97.5Very high2 Ų244.2 Ų44.21%0.0123%0.226CC..EExtended strand (participates in β ladder)trans-105.3121169.9-52.1-176.5000108.5V12 I13 G15 R36 R241 V243 L263 I271V12-L38 HydrophobicContact CG1-CD1 3.73Å; V12-L38 HydrophobicContact CG1-CG 3.74Å; I13-L38 PolarHBondContact O-N 2.94Å; G15-L38 PolarHBondContact N-O 3.4Å; R36-L38 HydrophobicContact CG-CD2 4.02Å; L38-R241 HydrophobicContact CB-CB 4.48Å; L38-R241 HydrophobicContact CB-CG 4.46Å; L38-R241 HydrophobicContact CD2-CG 4.09Å; L38-V243 HydrophobicContact CB-CG2 4.08Å; L38-V243 HydrophobicContact CD1-CG2 3.64Å; L38-L263 HydrophobicContact CD1-CD2 3.97Å; L38-I271 HydrophobicContact CD1-CD1 3.69Å; L38-I271 HydrophobicContact CD2-CD1 3.96Å; L38-I271 HydrophobicContact CG-CD1 4.49Å
39E98.8Very high97.5Very high14 Ų1446.4 Ų46.47%0.06523%0.233CC..  trans-118.5124.3-177.9175.945-130.900109.5C16 T41 R43 V237 S238 Y239 H240 R241C16-E39 HydrophobicContact CB-CB 3.76Å; C16-E39 HydrophobicContact CB-CG 3.85Å; C16-E39 WeakPolarHBondContact CB-OE2 3.47Å; C16-E39 PolarHBondContact N-OE2 3.46Å; E39-T41 VanDerWaalsContact C-N 3.27Å; E39-T41 PolarHBondContact O-N 3Å; E39-T41 VanDerWaalsContact OE1-CB 3.3Å; E39-T41 WeakPolarHBondContact OE1-CB 2.91Å; E39-T41 WeakPolarHBondContact OE1-CG2 3.38Å; E39-T41 PolarHBondContact OE1-N 3.38Å; E39-T41 PolarHBondContact OE1-OG1 2.98Å; E39-R43 VanDerWaalsContact CG-O 3.31Å; E39-R43 WeakPolarHBondContact CG-O 3.5Å; E39-V237 HydrophobicContact CB-CG1 4.08Å; E39-S238 PolarHBondContact N-O 2.95Å; E39-Y239 HydrophobicContact CB-CD1 3.91Å; E39-Y239 HydrophobicContact CB-CE1 4.35Å; E39-Y239 HydrophobicContact CG-CD1 3.71Å; E39-Y239 HydrophobicContact CG-CE1 4.08Å; E39-Y239 CarbonylContact O-C 3.56Å; E39-H240 PolarHBondContact O-N 2.89Å; E39-R241 PolarHBondContact O-N 3.47Å
40A98.5Very high97.5Very high23 Ų2341 Ų4119%0.1921%0.212CC..SBendtrans-66.2-33.7-178.300000111.9H240 P242 W425A40-H240 WeakPolarHBondContact O-CA 3.49Å; A40-P242 HydrophobicContact CB-CB 4.01Å; A40-W425 HydrophobicContact CB-CD2 3.58Å; A40-W425 HydrophobicContact CB-CE3 3.48Å; A40-W425 VanDerWaalsContact CB-CE3 3.48Å; A40-W425 HydrophobicContact CB-CG 4.26Å; A40-W425 HydrophobicContact CB-CH2 4.04Å; A40-W425 HydrophobicContact CB-CZ2 4.1Å; A40-W425 HydrophobicContact CB-CZ3 3.73Å
41T98Very high97.5Very high28 Ų2837 Ų3717%0.17220%0.198CC..SBendtrans-91.5179.3-178.2750000112.8E39 R43 Y239 H240 W425E39-T41 VanDerWaalsContact C-N 3.27Å; E39-T41 PolarHBondContact O-N 3Å; E39-T41 VanDerWaalsContact OE1-CB 3.3Å; E39-T41 WeakPolarHBondContact OE1-CB 2.91Å; E39-T41 WeakPolarHBondContact OE1-CG2 3.38Å; E39-T41 PolarHBondContact OE1-N 3.38Å; E39-T41 PolarHBondContact OE1-OG1 2.98Å; T41-R43 VanDerWaalsContact C-N 3.31Å; T41-R43 PolarHBondContact OG1-N 2.99Å; T41-R43 PolarHBondContact OG1-O 2.84Å; T41-R43 VanDerWaalsContact OG1-O 3.07Å; T41-Y239 WeakPolarHBondContact O-CB 3.26Å; T41-H240 PolarHBondContact O-N 3.42Å; T41-W425 VanDerWaalsContact CG2-CD1 3.47Å; T41-W425 HydrophobicContact CG2-CG 3.99Å
42G97.9Very high97.4Very high44 Ų4443.2 Ų43.245%0.45422%0.216SC..SBendtrans-86.710.4172.600000114.8H240G42-H240 WeakPolarHBondContact CA-CE1 3.16Å; G42-H240 VanDerWaalsContact CA-NE2 3.32Å; G42-H240 WeakPolarHBondContact CA-NE2 3.33Å; G42-H240 PolarHBondContact N-CE1 2.91Å
43R97.7Very high97.2Very high61 Ų6142.7 Ų42.723%0.2321%0.213CC..SBendtrans-144.2158.4-174.770.2175.8-174.389.66.8113.3E39 T41 G46 I48 E222E39-R43 VanDerWaalsContact CG-O 3.31Å; E39-R43 WeakPolarHBondContact CG-O 3.5Å; T41-R43 VanDerWaalsContact C-N 3.31Å; T41-R43 PolarHBondContact OG1-N 2.99Å; T41-R43 PolarHBondContact OG1-O 2.84Å; T41-R43 VanDerWaalsContact OG1-O 3.07Å; R43-G46 VanDerWaalsContact CZ-O 3.32Å; R43-G46 PolarHBondContact NH1-O 3.39Å; R43-G46 VanDerWaalsContact NH1-O 3.17Å; R43-G46 PolarHBondContact NH2-O 3.34Å; R43-I48 PolarHBondContact NH1-O 3.12Å; R43-E222 IonicContact NH1-OE1 2.81Å
44S98.3Very high96.9Very high16 Ų1636 Ų3611%0.11220%0.198CC..SBendtrans-87167.3168.9-65.50000111.5C16 Y239C16-S44 PolarHBondContact SG-OG 2.95Å; S44-Y239 PolarHBondContact OG-OH 3.26Å
45G97.8Very high96.5Very high1 Ų141.2 Ų41.21%0.0123%0.226CC..BIsolated β-bridgetrans103.3-25.2171.400000114.6C16 R47 I48C16-G45 PolarHBondContact O-N 3.22Å; G45-R47 PolarHBondContact O-N 2.87Å; G45-I48 PolarHBondContact O-N 3.07Å
46G97.8Very high96.1Very high20 Ų2041.9 Ų41.921%0.20623%0.229CC..THydrogen-bonded Turntrans56.8-120.2179.700000111.1R43 I48R43-G46 VanDerWaalsContact CZ-O 3.32Å; R43-G46 PolarHBondContact NH1-O 3.39Å; R43-G46 VanDerWaalsContact NH1-O 3.17Å; R43-G46 PolarHBondContact NH2-O 3.34Å; G46-I48 PolarHBondContact O-N 2.83Å; G46-I48 VanDerWaalsContact O-N 3.17Å
47R98.2Very high95.8Very high54 Ų5439.1 Ų39.120%0.20422%0.222CC..THydrogen-bonded Turntrans-72.1-2.2179-73.2172.5-77.9168.3-0114.9G45 G61 A62 W420 T426 S429 E464G45-R47 PolarHBondContact O-N 2.87Å; R47-G61 VanDerWaalsContact O-CA 3.31Å; R47-G61 WeakPolarHBondContact O-CA 3.35Å; R47-A62 PolarHBondContact O-N 3.17Å; R47-W420 HydrophobicContact CB-CH2 4.34Å; R47-W420 HydrophobicContact CB-CZ3 4.32Å; R47-W420 HydrophobicContact CG-CE3 4.18Å; R47-W420 HydrophobicContact CG-CH2 4.3Å; R47-W420 HydrophobicContact CG-CZ3 3.79Å; R47-T426 HydrophobicContact CG-CG2 3.72Å; R47-S429 WeakPolarHBondContact CD-O 3.48Å; R47-S429 PolarHBondContact NH1-O 2.79Å; R47-E464 IonicContact CZ-OE1 2.69Å; R47-E464 IonicContact NH1-OE1 3.22Å; R47-E464 PolarHBondContact NH1-OE1 2.82Å; R47-E464 IonicContact NH2-OE1 3.94Å; R47-E464 PolarHBondContact NH2-OE1 3.29Å
48I98.4Very high95.7Very high4 Ų439.2 Ų39.22%0.02122%0.222CC..  trans-86.4113.3162.3-61.1157.3000106.2I18 R43 G45 G46 A62 Y221 E222 I225 V474I18-I48 HydrophobicContact CB-CD1 3.87Å; I18-I48 HydrophobicContact CD1-CD1 4.12Å; I18-I48 HydrophobicContact CG1-CD1 4.5Å; I18-I48 HydrophobicContact CG2-CD1 4.19Å; R43-I48 PolarHBondContact NH1-O 3.12Å; G45-I48 PolarHBondContact O-N 3.07Å; G46-I48 PolarHBondContact O-N 2.83Å; G46-I48 VanDerWaalsContact O-N 3.17Å; I48-A62 HydrophobicContact CG1-CB 4.02Å; I48-Y221 HydrophobicContact CG2-CD2 3.95Å; I48-Y221 HydrophobicContact CG2-CG 3.92Å; I48-E222 HydrophobicContact CG2-CG 4.37Å; I48-I225 HydrophobicContact CB-CG1 4.36Å; I48-I225 HydrophobicContact CD1-CD1 3.77Å; I48-I225 HydrophobicContact CD1-CG1 4.23Å; I48-I225 HydrophobicContact CG2-CG1 4.06Å; I48-V474 HydrophobicContact CD1-CG1 3.84Å; I48-V474 HydrophobicContact CD1-CG2 4.18Å; I48-V474 HydrophobicContact CG1-CG2 4.04Å
49K97.6Very high95.5Very high76 Ų7639.8 Ų39.833%0.3323%0.225SC..  trans-147.4112.2-175-172.7179-175.2178.80109.6I60 G61 W420K49-I60 HydrophobicContact CB-CB 4.28Å; K49-I60 HydrophobicContact CD-CB 4.21Å; K49-I60 HydrophobicContact CD-CG2 4.13Å; K49-I60 HydrophobicContact CG-CB 4.17Å; K49-I60 WeakPolarHBondContact O-CA 3.39Å; K49-I60 WeakPolarHBondContact O-CB 3.49Å; K49-I60 PolarHBondContact O-N 3.21Å; K49-G61 PolarHBondContact O-N 3.37Å; K49-G61 VanDerWaalsContact O-N 3.15Å; K49-W420 HydrophobicContact CB-CH2 4.05Å; K49-W420 HydrophobicContact CB-CZ2 4.31Å; K49-W420 HydrophobicContact CD-CH2 4.29Å
50T97Very high95.5Very high27 Ų2740.3 Ų40.317%0.16623%0.228CC..EExtended strand (participates in β ladder)trans-95133.6175.1-57.40000108.5I57 E59 Y221 E222T50-I57 HydrophobicContact CG2-CG2 3.38Å; T50-E59 WeakPolarHBondContact CA-OE2 3.17Å; T50-E59 PolarHBondContact OG1-OE1 2.85Å; T50-E59 PolarHBondContact OG1-OE2 2.93Å; T50-Y221 PolarHBondContact OG1-N 2.84Å; T50-E222 PolarHBondContact N-OE1 3Å; T50-E222 PolarHBondContact OG1-N 3.2Å
51G95.2Very high95.4Very high17 Ų1739.8 Ų39.818%0.17522%0.224CC..EExtended strand (participates in β ladder)trans-119.6-177.3179.200000111.8I58G51-I58 WeakPolarHBondContact CA-O 3.31Å; G51-I58 PolarHBondContact N-O 2.81Å; G51-I58 PolarHBondContact O-N 2.86Å
52K93.8Very high95.3Very high162 Ų16239.7 Ų39.770%0.70423%0.227SC*.EExtended strand (participates in β ladder)trans-130.1136.9175.2-66.3-173.3178.8-176.70110.7N56K52-N56 CarbonylContact C-O 3.56Å; K52-N56 WeakPolarHBondContact CA-O 3.12Å
53M91.1Very high95Very high1 Ų138.4 Ų38.41%0.00521%0.209CC..EExtended strand (participates in β ladder)trans-113.285.6164.3-167.8155.665.700108.4N55 N56 I58 F317 E319 V372 R414 L416M53-N55 PolarHBondContact O-N 3.08Å; M53-N56 PolarHBondContact N-O 2.81Å; M53-N56 PolarHBondContact O-N 3.48Å; M53-I58 HydrophobicContact CB-CD1 4.11Å; M53-I58 HydrophobicContact CB-CG2 4.09Å; M53-F317 HydrophobicContact CE-CB 3.84Å; M53-F317 HydrophobicContact SD-CB 3.82Å; M53-E319 HydrophobicContact CE-CB 3.58Å; M53-E319 HydrophobicContact CE-CG 4.34Å; M53-E319 HydrophobicContact CG-CB 4.48Å; M53-E319 HydrophobicContact SD-CB 4.05Å; M53-V372 HydrophobicContact CE-CB 3.97Å; M53-V372 HydrophobicContact CE-CG1 3.29Å; M53-V372 HydrophobicContact CE-CG2 3.39Å; M53-R414 VanDerWaalsContact C-NH2 3.31Å; M53-R414 HydrophobicContact CG-CB 4.48Å; M53-R414 PolarHBondContact O-NH2 3.48Å; M53-R414 HydrophobicContact SD-CB 4.3Å; M53-L416 HydrophobicContact CB-CD1 3.96Å; M53-L416 HydrophobicContact CG-CD1 3.76Å; M53-L416 HydrophobicContact SD-CD1 3.89Å; M53-L416 HydrophobicContact SD-CG 4.18Å
54G88.2Confident94.8Very high32 Ų3238.1 Ų38.133%0.3321%0.208SC..THydrogen-bonded Turntrans69.4-116.9-169.100000110.6R414G54-R414 VanDerWaalsContact CA-NH2 3.29Å
55N87Confident94.6Very high164 Ų16437.4 Ų37.488%0.87720%0.203SC*.THydrogen-bonded Turntrans-89.6-13.5179.2-62.7-18000112.3M53M53-N55 PolarHBondContact O-N 3.08Å
56N90.5Very high94.4Very high28 Ų2840 Ų4015%0.1522%0.215CC..EExtended strand (participates in β ladder)trans-87.3141.3-175.6-57.1-33.1000110.9K52 M53 Y369K52-N56 CarbonylContact C-O 3.56Å; K52-N56 WeakPolarHBondContact CA-O 3.12Å; M53-N56 PolarHBondContact N-O 2.81Å; M53-N56 PolarHBondContact O-N 3.48Å; N56-Y369 WeakPolarHBondContact CB-O 3.25Å; N56-Y369 VanDerWaalsContact CG-C 3.47Å; N56-Y369 PolarHBondContact ND2-O 3.19Å
57I92.9Very high94.1Very high48 Ų4839.1 Ų39.125%0.24621%0.206CC..EExtended strand (participates in β ladder)trans-80.4137.8173.6-65.7174.6000108.7T50 Y369T50-I57 HydrophobicContact CG2-CG2 3.38Å; I57-Y369 HydrophobicContact CB-CE1 4.48Å; I57-Y369 VanDerWaalsContact O-CD1 3.31Å; I57-Y369 WeakPolarHBondContact O-CD1 3.22Å
58I95.5Very high93.8Very high2 Ų236.5 Ų36.51%0.0120%0.196CC..EExtended strand (participates in β ladder)trans-132.8142.6172.954.3167.6000109.3G51 M53 I60 F317 L363 L416G51-I58 WeakPolarHBondContact CA-O 3.31Å; G51-I58 PolarHBondContact N-O 2.81Å; G51-I58 PolarHBondContact O-N 2.86Å; M53-I58 HydrophobicContact CB-CD1 4.11Å; M53-I58 HydrophobicContact CB-CG2 4.09Å; I58-I60 HydrophobicContact CD1-CD1 3.57Å; I58-I60 HydrophobicContact CG1-CD1 3.98Å; I58-I60 PolarHBondContact O-N 3.13Å; I58-F317 HydrophobicContact CB-CD1 3.92Å; I58-F317 HydrophobicContact CB-CD2 4.5Å; I58-F317 HydrophobicContact CB-CE1 3.74Å; I58-F317 HydrophobicContact CB-CE2 4.33Å; I58-F317 HydrophobicContact CB-CG 4.29Å; I58-F317 HydrophobicContact CB-CZ 3.95Å; I58-F317 HydrophobicContact CD1-CB 4.36Å; I58-F317 HydrophobicContact CD1-CD1 4.34Å; I58-F317 HydrophobicContact CD1-CD2 3.6Å; I58-F317 HydrophobicContact CD1-CE2 3.92Å; I58-F317 HydrophobicContact CD1-CG 3.82Å; I58-F317 HydrophobicContact CD1-CZ 4.41Å; I58-F317 HydrophobicContact CG2-CD1 3.7Å; I58-F317 HydrophobicContact CG2-CE1 3.96Å; I58-F317 HydrophobicContact CG2-CG 4.17Å; I58-L363 HydrophobicContact CG2-CD1 4Å; I58-L416 HydrophobicContact CD1-CD1 4.16Å
59E96.6Very high93.6Very high13 Ų1336.7 Ų36.76%0.06120%0.198CC..EExtended strand (participates in β ladder)trans-91.2106.3175-64.4-62.6171.300110.5T50 G61 A62 N63 G220 Y221 K315 F317T50-E59 WeakPolarHBondContact CA-OE2 3.17Å; T50-E59 PolarHBondContact OG1-OE1 2.85Å; T50-E59 PolarHBondContact OG1-OE2 2.93Å; E59-G61 VanDerWaalsContact C-N 3.28Å; E59-G61 PolarHBondContact O-N 3.03Å; E59-A62 WeakPolarHBondContact CB-O 3.43Å; E59-N63 HydrophobicContact CB-CB 4.35Å; E59-N63 WeakPolarHBondContact CB-OD1 3.12Å; E59-G220 WeakPolarHBondContact OE1-CA 3.34Å; E59-Y221 WeakPolarHBondContact OE1-CB 3.32Å; E59-Y221 PolarHBondContact OE1-N 3.14Å; E59-K315 VanDerWaalsContact O-CD 3.28Å; E59-K315 WeakPolarHBondContact O-CD 3.41Å; E59-K315 WeakPolarHBondContact O-CE 3.41Å; E59-K315 PolarHBondContact O-NZ 3.28Å; E59-F317 VanDerWaalsContact O-CZ 3.31Å; E59-F317 WeakPolarHBondContact O-CZ 3.44Å
60I97.4Very high93.5Very high26 Ų2638.5 Ų38.513%0.13321%0.207CC..SBendtrans-68.4-33.5176.9-53.1-57.6000110.7K49 I58 F317 W420K49-I60 HydrophobicContact CB-CB 4.28Å; K49-I60 HydrophobicContact CD-CB 4.21Å; K49-I60 HydrophobicContact CD-CG2 4.13Å; K49-I60 HydrophobicContact CG-CB 4.17Å; K49-I60 WeakPolarHBondContact O-CA 3.39Å; K49-I60 WeakPolarHBondContact O-CB 3.49Å; K49-I60 PolarHBondContact O-N 3.21Å; I58-I60 HydrophobicContact CD1-CD1 3.57Å; I58-I60 HydrophobicContact CG1-CD1 3.98Å; I58-I60 PolarHBondContact O-N 3.13Å; I60-F317 HydrophobicContact CD1-CD2 4.46Å; I60-F317 HydrophobicContact CD1-CE2 3.92Å; I60-W420 HydrophobicContact CG2-CZ2 4.19Å; I60-W420 PolarHBondContact O-NE1 2.9Å
61G96.9Very high93.3Very high11 Ų1140.1 Ų40.111%0.11322%0.223CC..SBendtrans-108.5-128.8-17900000113.6R47 K49 E59 N63 K315 W420R47-G61 VanDerWaalsContact O-CA 3.31Å; R47-G61 WeakPolarHBondContact O-CA 3.35Å; K49-G61 PolarHBondContact O-N 3.37Å; K49-G61 VanDerWaalsContact O-N 3.15Å; E59-G61 VanDerWaalsContact C-N 3.28Å; E59-G61 PolarHBondContact O-N 3.03Å; G61-N63 PolarHBondContact O-N 3.21Å; G61-K315 VanDerWaalsContact O-CE 3.26Å; G61-K315 WeakPolarHBondContact O-CE 3.21Å; G61-K315 PolarHBondContact O-NZ 2.93Å; G61-W420 VanDerWaalsContact CA-CZ2 3.42Å
62A96.2Very high93.4Very high27 Ų2739.3 Ų39.322%0.22322%0.215CC..  trans-52.3135.6175.400000111.6R47 I48 E59 Y221 V474R47-A62 PolarHBondContact O-N 3.17Å; I48-A62 HydrophobicContact CG1-CB 4.02Å; E59-A62 WeakPolarHBondContact CB-O 3.43Å; A62-Y221 HydrophobicContact CB-CD1 3.84Å; A62-Y221 HydrophobicContact CB-CE1 3.69Å; A62-Y221 VanDerWaalsContact O-CD1 3.27Å; A62-Y221 WeakPolarHBondContact O-CD1 3.37Å; A62-V474 HydrophobicContact CB-CG2 3.51Å
63N92Very high93.6Very high16 Ų1632.3 Ų32.39%0.08619%0.186CC..  trans-116.1-35.5-173.1-15989.5000113.4E59 G61 K315 W376E59-N63 HydrophobicContact CB-CB 4.35Å; E59-N63 WeakPolarHBondContact CB-OD1 3.12Å; G61-N63 PolarHBondContact O-N 3.21Å; N63-K315 PolarHBondContact OD1-NZ 2.83Å; N63-W376 HydrophobicContact CB-CH2 4.43Å
64W92.8Very high93.9Very high55 Ų5532.2 Ų32.221%0.20819%0.186CC..  trans-123.4155.8-168.4-57.4-79.6000113.1H66 W104 C215 Y221 W376W64-H66 AromaticContact CE3-CE1 3.85Å; W64-W104 HydrophobicContact CZ2-CZ2 4.44Å; W64-C215 CarbonylContact C-O 3.43Å; W64-C215 WeakPolarHBondContact CA-O 3.46Å; W64-Y221 WeakPolarHBondContact O-CE1 3.49Å; W64-Y221 PolarHBondContact O-OH 3.47Å; W64-W376 HydrophobicContact CE3-CH2 4.49Å; W64-W376 AromaticContact CH2-CE2 3.92Å; W64-W376 AromaticContact CH2-CH2 3.21Å; W64-W376 HydrophobicContact CH2-CH2 3.21Å; W64-W376 AromaticContact CH2-CZ2 3.08Å; W64-W376 HydrophobicContact CH2-CZ2 3.08Å; W64-W376 HydrophobicContact CH2-CZ3 4.18Å; W64-W376 HydrophobicContact CZ2-CH2 4.2Å; W64-W376 AromaticContact CZ2-CZ2 3.8Å; W64-W376 HydrophobicContact CZ2-CZ2 3.8Å; W64-W376 AromaticContact CZ3-CH2 3.37Å; W64-W376 HydrophobicContact CZ3-CH2 3.37Å; W64-W376 AromaticContact CZ3-CZ2 3.8Å; W64-W376 HydrophobicContact CZ3-CZ2 3.8Å; W64-W376 HydrophobicContact CZ3-CZ3 4.12Å
65I94.8Very high94.4Very high1 Ų130.7 Ų30.71%0.00517%0.17CC..BIsolated β-bridgetrans-94.5108.7154.4-55.7-174.7000106.6G67 P68 N72 V74 F75 L84 D214 C215 F217I65-G67 PolarHBondContact O-N 3.31Å; I65-P68 HydrophobicContact CG2-CB 4.25Å; I65-N72 VanDerWaalsContact CG2-ND2 3.31Å; I65-N72 WeakPolarHBondContact CG2-ND2 3.27Å; I65-V74 HydrophobicContact CD1-CG1 4.07Å; I65-V74 HydrophobicContact CG1-CG1 4.07Å; I65-F75 HydrophobicContact CG2-CB 4.01Å; I65-L84 HydrophobicContact CD1-CD1 4.36Å; I65-L84 HydrophobicContact CD1-CD2 3.67Å; I65-D214 WeakPolarHBondContact O-CA 3.41Å; I65-C215 PolarHBondContact N-O 3.01Å; I65-C215 PolarHBondContact O-N 2.5Å; I65-F217 HydrophobicContact CD1-CE1 4.34Å; I65-F217 HydrophobicContact CD1-CE2 3.8Å; I65-F217 HydrophobicContact CD1-CZ 3.52Å; I65-F217 HydrophobicContact CG1-CE2 3.46Å; I65-F217 VanDerWaalsContact CG1-CE2 3.46Å; I65-F217 HydrophobicContact CG1-CZ 3.67Å
66H92.1Very high94.9Very high56 Ų5624.3 Ų24.326%0.25914%0.138SC..SBendtrans-76119.8177.4-60.2-63.1000111W64 N72 D214W64-H66 AromaticContact CE3-CE1 3.85Å; H66-N72 PolarHBondContact O-ND2 3.41Å; H66-D214 VanDerWaalsContact CA-OD1 3.24Å; H66-D214 WeakPolarHBondContact CA-OD1 3.32Å; H66-D214 IonicContact CE1-OD2 2.83Å; H66-D214 IonicContact CG-OD2 3.79Å; H66-D214 IonicContact ND1-OD1 3.86Å; H66-D214 IonicContact ND1-OD2 3.93Å; H66-D214 PolarHBondContact ND1-OD2 2.69Å
67G91.9Very high95.3Very high1 Ų124 Ų241%0.0114%0.136CC..SBendtrans59.972-174.600000113.2I65 S69 N72 L210 P211 D214I65-G67 PolarHBondContact O-N 3.31Å; G67-S69 PolarHBondContact O-N 2.78Å; G67-S69 PolarHBondContact O-OG 2.94Å; G67-N72 WeakPolarHBondContact O-CB 3.47Å; G67-N72 PolarHBondContact O-ND2 2.94Å; G67-L210 WeakPolarHBondContact CA-O 3.25Å; G67-P211 CarbonylContact C-O 3.55Å; G67-P211 WeakPolarHBondContact CA-O 3.35Å; G67-D214 PolarHBondContact N-OD1 2.94Å
68P92.2Very high95.5Very high0 Ų021.8 Ų21.80%013%0.125CC..  trans-6793.3175.828.3-34.6000110.8I65 F75 Q94 L213 C215I65-P68 HydrophobicContact CG2-CB 4.25Å; P68-F75 HydrophobicContact CB-CB 4.38Å; P68-F75 HydrophobicContact CB-CD2 3.3Å; P68-F75 HydrophobicContact CB-CE2 3.66Å; P68-F75 HydrophobicContact CB-CG 3.94Å; P68-Q94 WeakPolarHBondContact O-CG 3.37Å; P68-L213 WeakPolarHBondContact CD-O 3.25Å; P68-L213 WeakPolarHBondContact CG-O 3.27Å; P68-C215 HydrophobicContact CG-CB 4.33Å
69S94.1Very high95.6Very high8 Ų825.9 Ų25.96%0.05614%0.14CC..SBendtrans-146.1173.1178.5570000110.5G67 A71 N72 F75 P211G67-S69 PolarHBondContact O-N 2.78Å; G67-S69 PolarHBondContact O-OG 2.94Å; S69-A71 PolarHBondContact O-N 2.92Å; S69-A71 VanDerWaalsContact O-N 3.1Å; S69-N72 WeakPolarHBondContact O-CB 3.43Å; S69-N72 PolarHBondContact O-N 3.29Å; S69-F75 VanDerWaalsContact O-CD1 3.29Å; S69-F75 WeakPolarHBondContact O-CD1 3.48Å; S69-P211 WeakPolarHBondContact CB-O 3.16Å; S69-P211 PolarHBondContact OG-O 2.99Å; S69-P211 VanDerWaalsContact OG-O 3.11Å
70E94.5Very high95.6Very high113 Ų11331.6 Ų31.653%0.52817%0.166SC..THydrogen-bonded Turntrans-58.6-23.2177-65.3-62.9161.900113.6N72 R79E70-N72 PolarHBondContact O-N 2.83Å; E70-R79 VanDerWaalsContact CD-NH2 3.27Å; E70-R79 IonicContact OE1-CZ 2.84Å; E70-R79 IonicContact OE1-NH1 3.2Å; E70-R79 PolarHBondContact OE1-NH1 2.73Å; E70-R79 IonicContact OE1-NH2 3.49Å; E70-R79 PolarHBondContact OE1-NH2 2.88Å; E70-R79 IonicContact OE2-CZ 3.75Å; E70-R79 IonicContact OE2-NH2 3.75Å; E70-R79 PolarHBondContact OE2-NH2 2.77Å
71A94Very high95.7Very high62 Ų6231.9 Ų31.951%0.51217%0.166SC..THydrogen-bonded Turntrans-72-19.5174.800000112.7S69 P73 L210S69-A71 PolarHBondContact O-N 2.92Å; S69-A71 VanDerWaalsContact O-N 3.1Å; A71-P73 WeakPolarHBondContact O-CD 3.32Å; A71-L210 HydrophobicContact CB-CD2 3.92Å
72N97.4Very high95.7Very high0 Ų035.5 Ų35.50%019%0.19CC..  trans-96.8106.8-179.4-169.9-30.1000111.1I65 H66 G67 S69 E70 V74 F75 C76 L210 H475I65-N72 VanDerWaalsContact CG2-ND2 3.31Å; I65-N72 WeakPolarHBondContact CG2-ND2 3.27Å; H66-N72 PolarHBondContact O-ND2 3.41Å; G67-N72 WeakPolarHBondContact O-CB 3.47Å; G67-N72 PolarHBondContact O-ND2 2.94Å; S69-N72 WeakPolarHBondContact O-CB 3.43Å; S69-N72 PolarHBondContact O-N 3.29Å; E70-N72 PolarHBondContact O-N 2.83Å; N72-V74 PolarHBondContact O-N 3.34Å; N72-V74 VanDerWaalsContact O-N 3.15Å; N72-V74 WeakPolarHBondContact OD1-CB 3.21Å; N72-V74 PolarHBondContact OD1-N 2.89Å; N72-F75 HydrophobicContact CB-CB 3.99Å; N72-F75 WeakPolarHBondContact O-CB 3.5Å; N72-F75 PolarHBondContact O-N 3.31Å; N72-F75 VanDerWaalsContact O-N 3.07Å; N72-F75 PolarHBondContact OD1-N 3.47Å; N72-C76 PolarHBondContact O-N 2.93Å; N72-C76 VanDerWaalsContact O-N 3.13Å; N72-C76 PolarHBondContact O-SG 3.45Å; N72-C76 VanDerWaalsContact O-SG 3.41Å; N72-L210 HydrophobicContact CB-CD1 3.71Å; N72-H475 WeakPolarHBondContact OD1-CB 3.33Å
73P97.8Very high95.7Very high14 Ų1434.8 Ų34.89%0.09118%0.182CC..Hα-helixtrans-64.8-24.7-177.226.7-36.2000113.7A71 L77 H475 L478 L479 W482A71-P73 WeakPolarHBondContact O-CD 3.32Å; P73-L77 WeakPolarHBondContact O-CB 3.34Å; P73-L77 VanDerWaalsContact O-CG 3.31Å; P73-L77 WeakPolarHBondContact O-CG 3.1Å; P73-L77 PolarHBondContact O-N 2.97Å; P73-L77 VanDerWaalsContact O-N 3.08Å; P73-H475 HydrophobicContact CG-CB 4.24Å; P73-L478 HydrophobicContact CB-CD2 4.01Å; P73-L478 HydrophobicContact CG-CD2 4.19Å; P73-L479 HydrophobicContact CG-CD1 4.35Å; P73-L479 HydrophobicContact CG-CD2 3.89Å; P73-L479 HydrophobicContact CG-CG 3.9Å; P73-W482 HydrophobicContact CB-CH2 3.53Å; P73-W482 HydrophobicContact CB-CZ3 3.55Å; P73-W482 HydrophobicContact CG-CZ3 4.28Å
74V98.3Very high95.9Very high0 Ų034.9 Ų34.90%018%0.183CC..Hα-helixtrans-70.8-39.7176.5175.10000110.1I18 I65 N72 S78 F217 Y221 L224 V474 H475 L478I18-V74 HydrophobicContact CD1-CG2 4.42Å; I65-V74 HydrophobicContact CD1-CG1 4.07Å; I65-V74 HydrophobicContact CG1-CG1 4.07Å; N72-V74 PolarHBondContact O-N 3.34Å; N72-V74 VanDerWaalsContact O-N 3.15Å; N72-V74 WeakPolarHBondContact OD1-CB 3.21Å; N72-V74 PolarHBondContact OD1-N 2.89Å; V74-S78 WeakPolarHBondContact O-CB 3.36Å; V74-S78 PolarHBondContact O-N 2.95Å; V74-S78 PolarHBondContact O-OG 3.44Å; V74-F217 HydrophobicContact CG1-CZ 4.3Å; V74-Y221 HydrophobicContact CG1-CE2 4.16Å; V74-L224 HydrophobicContact CG1-CD2 3.75Å; V74-V474 HydrophobicContact CG1-CG1 4.32Å; V74-V474 HydrophobicContact CG2-CB 4.48Å; V74-V474 HydrophobicContact CG2-CG1 3.82Å; V74-H475 HydrophobicContact CB-CB 4.33Å; V74-H475 HydrophobicContact CG2-CB 3.65Å; V74-L478 HydrophobicContact CG2-CD2 4.02Å
75F97.8Very high96Very high0 Ų034 Ų340%018%0.182CC..Hα-helixtrans-59.7-51.2171.4174.4-107.2000111.1I65 P68 S69 N72 L77 S78 R79 L84 S88 L89 Q94I65-F75 HydrophobicContact CG2-CB 4.01Å; P68-F75 HydrophobicContact CB-CB 4.38Å; P68-F75 HydrophobicContact CB-CD2 3.3Å; P68-F75 HydrophobicContact CB-CE2 3.66Å; P68-F75 HydrophobicContact CB-CG 3.94Å; S69-F75 VanDerWaalsContact O-CD1 3.29Å; S69-F75 WeakPolarHBondContact O-CD1 3.48Å; N72-F75 HydrophobicContact CB-CB 3.99Å; N72-F75 WeakPolarHBondContact O-CB 3.5Å; N72-F75 PolarHBondContact O-N 3.31Å; N72-F75 VanDerWaalsContact O-N 3.07Å; N72-F75 PolarHBondContact OD1-N 3.47Å; F75-L77 VanDerWaalsContact C-N 3.35Å; F75-L77 PolarHBondContact O-N 3.34Å; F75-S78 PolarHBondContact O-N 2.89Å; F75-S78 VanDerWaalsContact O-N 3.12Å; F75-R79 WeakPolarHBondContact O-CB 2.97Å; F75-R79 PolarHBondContact O-N 2.98Å; F75-L84 HydrophobicContact CD2-CD1 3.37Å; F75-L84 HydrophobicContact CE2-CD1 3.49Å; F75-L84 VanDerWaalsContact CE2-CD1 3.49Å; F75-L84 HydrophobicContact CG-CD1 4.43Å; F75-S88 WeakPolarHBondContact CE2-O 3.32Å; F75-L89 HydrophobicContact CE2-CD2 3.97Å; F75-L89 HydrophobicContact CZ-CD2 3.96Å; F75-Q94 HydrophobicContact CZ-CG 4.31Å
76C97.9Very high95.9Very high30 Ų3038.9 Ų38.920%0.20321%0.214CC..Hα-helixtrans-58.3-45-177.4-61.20000112.6N72 Q80N72-C76 PolarHBondContact O-N 2.93Å; N72-C76 VanDerWaalsContact O-N 3.13Å; N72-C76 PolarHBondContact O-SG 3.45Å; N72-C76 VanDerWaalsContact O-SG 3.41Å; C76-Q80 WeakPolarHBondContact O-CB 3.42Å; C76-Q80 PolarHBondContact O-N 2.97Å
77L97.9Very high95.9Very high22 Ų2243.3 Ų43.312%0.11524%0.235CC..Hα-helixtrans-65.7-44175.6-71.9169000111.8P73 F75 R79 Q80 Y81 L224 L228 L478 W482P73-L77 WeakPolarHBondContact O-CB 3.34Å; P73-L77 VanDerWaalsContact O-CG 3.31Å; P73-L77 WeakPolarHBondContact O-CG 3.1Å; P73-L77 PolarHBondContact O-N 2.97Å; P73-L77 VanDerWaalsContact O-N 3.08Å; F75-L77 VanDerWaalsContact C-N 3.35Å; F75-L77 PolarHBondContact O-N 3.34Å; L77-R79 VanDerWaalsContact C-N 3.31Å; L77-R79 PolarHBondContact O-N 3.05Å; L77-Q80 WeakPolarHBondContact O-CB 3.37Å; L77-Q80 PolarHBondContact O-N 3.08Å; L77-Q80 VanDerWaalsContact O-N 3.14Å; L77-Y81 HydrophobicContact CB-CD2 4.45Å; L77-Y81 HydrophobicContact CB-CE2 4.09Å; L77-Y81 HydrophobicContact CD2-CE2 4.31Å; L77-Y81 WeakPolarHBondContact O-CD2 3.31Å; L77-Y81 PolarHBondContact O-N 3.4Å; L77-L224 HydrophobicContact CB-CD1 4.01Å; L77-L228 HydrophobicContact CD1-CD2 4.17Å; L77-L228 HydrophobicContact CD2-CD2 4.48Å; L77-L478 HydrophobicContact CD1-CD2 3.57Å; L77-W482 HydrophobicContact CD1-CZ2 4.17Å
78S98Very high95.8Very high0 Ų043.9 Ų43.90%024%0.238CC..Hα-helixtrans-65-37.1-178.9-57.10000111.8V74 F75 Y81 S82 L83 F217V74-S78 WeakPolarHBondContact O-CB 3.36Å; V74-S78 PolarHBondContact O-N 2.95Å; V74-S78 PolarHBondContact O-OG 3.44Å; F75-S78 PolarHBondContact O-N 2.89Å; F75-S78 VanDerWaalsContact O-N 3.12Å; S78-Y81 CarbonylContact O-C 3.5Å; S78-Y81 PolarHBondContact O-N 3.4Å; S78-S82 PolarHBondContact O-N 3.26Å; S78-S82 VanDerWaalsContact O-N 3.13Å; S78-L83 WeakPolarHBondContact O-CB 3.17Å; S78-L83 PolarHBondContact O-N 2.82Å; S78-F217 VanDerWaalsContact OG-CE1 3.25Å; S78-F217 WeakPolarHBondContact OG-CE1 3.03Å; S78-F217 WeakPolarHBondContact OG-CZ 3.24Å
79R97.3Very high95.9Very high89 Ų8947 Ų4734%0.33626%0.255SS..Hα-helixtrans-62.2-48.3169.7178.4178.166.5-173.2-3.7111.4E70 F75 L77 Y81 S82 L84 L89E70-R79 VanDerWaalsContact CD-NH2 3.27Å; E70-R79 IonicContact OE1-CZ 2.84Å; E70-R79 IonicContact OE1-NH1 3.2Å; E70-R79 PolarHBondContact OE1-NH1 2.73Å; E70-R79 IonicContact OE1-NH2 3.49Å; E70-R79 PolarHBondContact OE1-NH2 2.88Å; E70-R79 IonicContact OE2-CZ 3.75Å; E70-R79 IonicContact OE2-NH2 3.75Å; E70-R79 PolarHBondContact OE2-NH2 2.77Å; F75-R79 WeakPolarHBondContact O-CB 2.97Å; F75-R79 PolarHBondContact O-N 2.98Å; L77-R79 VanDerWaalsContact C-N 3.31Å; L77-R79 PolarHBondContact O-N 3.05Å; R79-Y81 PolarHBondContact O-N 3.48Å; R79-S82 PolarHBondContact O-N 3.35Å; R79-L84 HydrophobicContact CB-CD1 4.49Å; R79-L89 HydrophobicContact CB-CD2 3.97Å; R79-L89 HydrophobicContact CG-CD2 3.69Å
80Q97.5Very high95.9Very high132 Ų13249 Ų4962%0.61727%0.267SS*.Hα-helixtrans-57-38.4177.9-177.8-176.1-1700111.9C76 L77 S82C76-Q80 WeakPolarHBondContact O-CB 3.42Å; C76-Q80 PolarHBondContact O-N 2.97Å; L77-Q80 WeakPolarHBondContact O-CB 3.37Å; L77-Q80 PolarHBondContact O-N 3.08Å; L77-Q80 VanDerWaalsContact O-N 3.14Å; Q80-S82 VanDerWaalsContact C-N 3.32Å
81Y97.8Very high95.8Very high32 Ų3247.3 Ų47.313%0.12527%0.266CS..THydrogen-bonded Turntrans-86.34.4177.9-58.4-42.9000114.3L77 S78 R79 L83 L224 N227 L228 E231L77-Y81 HydrophobicContact CB-CD2 4.45Å; L77-Y81 HydrophobicContact CB-CE2 4.09Å; L77-Y81 HydrophobicContact CD2-CE2 4.31Å; L77-Y81 WeakPolarHBondContact O-CD2 3.31Å; L77-Y81 PolarHBondContact O-N 3.4Å; S78-Y81 CarbonylContact O-C 3.5Å; S78-Y81 PolarHBondContact O-N 3.4Å; R79-Y81 PolarHBondContact O-N 3.48Å; Y81-L83 VanDerWaalsContact C-N 3.34Å; Y81-L83 HydrophobicContact CD2-CD1 4.22Å; Y81-L83 HydrophobicContact CG-CD1 4.48Å; Y81-L83 PolarHBondContact O-N 2.85Å; Y81-L224 HydrophobicContact CD2-CD1 3.91Å; Y81-L224 HydrophobicContact CE2-CD1 3.93Å; Y81-N227 HydrophobicContact CD1-CB 3.84Å; Y81-N227 HydrophobicContact CD2-CB 3.6Å; Y81-N227 HydrophobicContact CE1-CB 4.05Å; Y81-N227 HydrophobicContact CE2-CB 3.82Å; Y81-N227 HydrophobicContact CG-CB 3.62Å; Y81-L228 HydrophobicContact CE2-CD2 4.02Å; Y81-L228 HydrophobicContact CE2-CG 4.17Å; Y81-L228 WeakPolarHBondContact OH-CD2 3.39Å; Y81-E231 VanDerWaalsContact CE1-OE1 3.29Å; Y81-E231 WeakPolarHBondContact CE1-OE1 3.39Å; Y81-E231 VanDerWaalsContact CZ-OE1 3.29Å; Y81-E231 PolarHBondContact OH-OE1 2.96Å
82S97.4Very high95.7Very high88 Ų8851 Ų5162%0.61527%0.272SS*.THydrogen-bonded Turntrans54.747.8-178.9-55.30000113S78 R79 Q80 R219S78-S82 PolarHBondContact O-N 3.26Å; S78-S82 VanDerWaalsContact O-N 3.13Å; R79-S82 PolarHBondContact O-N 3.35Å; Q80-S82 VanDerWaalsContact C-N 3.32Å; S82-R219 PolarHBondContact O-NH2 3.41Å
83L96.9Very high95.3Very high11 Ų1151.9 Ų51.96%0.05828%0.277CS..  trans-103.50.3-176.5-60.6178.3000114.2S78 Y81 F217 P218 L224S78-L83 WeakPolarHBondContact O-CB 3.17Å; S78-L83 PolarHBondContact O-N 2.82Å; Y81-L83 VanDerWaalsContact C-N 3.34Å; Y81-L83 HydrophobicContact CD2-CD1 4.22Å; Y81-L83 HydrophobicContact CG-CD1 4.48Å; Y81-L83 PolarHBondContact O-N 2.85Å; L83-F217 HydrophobicContact CB-CD1 4.15Å; L83-F217 HydrophobicContact CB-CE1 4.39Å; L83-F217 HydrophobicContact CD1-CE1 4.48Å; L83-P218 WeakPolarHBondContact O-CD 3.39Å; L83-L224 HydrophobicContact CD1-CB 4.09Å
84L96.4Very high95Very high19 Ų1952.6 Ų52.610%0.09928%0.279CS..SBendtrans-113.4155.5-173.8-55.9-179.5000111.4I65 F75 R79 L89 F217I65-L84 HydrophobicContact CD1-CD1 4.36Å; I65-L84 HydrophobicContact CD1-CD2 3.67Å; F75-L84 HydrophobicContact CD2-CD1 3.37Å; F75-L84 HydrophobicContact CE2-CD1 3.49Å; F75-L84 VanDerWaalsContact CE2-CD1 3.49Å; F75-L84 HydrophobicContact CG-CD1 4.43Å; R79-L84 HydrophobicContact CB-CD1 4.49Å; L84-L89 HydrophobicContact CB-CD2 4.3Å; L84-L89 HydrophobicContact CD1-CD2 4.07Å; L84-F217 HydrophobicContact CD2-CE1 4.38Å
85D93.2Very high94.5Very high37 Ų3759 Ų5920%0.19831%0.313CS..  trans-69.3147.9170.3-79.6-39.2000110.3E87 S88 P218 R368D85-E87 PolarHBondContact O-N 2.88Å; D85-S88 PolarHBondContact O-N 2.9Å; D85-S88 VanDerWaalsContact O-N 3.14Å; D85-P218 HydrophobicContact CB-CG 4.29Å; D85-P218 WeakPolarHBondContact OD1-CG 3.31Å; D85-P218 VanDerWaalsContact OD2-CG 3.31Å; D85-P218 WeakPolarHBondContact OD2-CG 3.38Å; D85-R368 IonicContact OD1-CZ 2.8Å; D85-R368 IonicContact OD1-NH1 3.31Å; D85-R368 IonicContact OD1-NH2 2.72Å; D85-R368 PolarHBondContact OD1-NH2 2.92Å; D85-R368 IonicContact OD2-CZ 2.65Å; D85-R368 IonicContact OD2-NH1 2.72Å; D85-R368 PolarHBondContact OD2-NH1 3.1Å; D85-R368 IonicContact OD2-NH2 3.05Å; D85-R368 PolarHBondContact OD2-NH2 2.92Å
86P93.4Very high93.9Very high102 Ų10262.7 Ų62.766%0.66233%0.333SS*.G310 helixtrans-57.1-33.5-178.4-26.735.3000114.4S88 L89P86-S88 VanDerWaalsContact C-N 3.27Å; P86-S88 PolarHBondContact O-N 2.81Å; P86-L89 WeakPolarHBondContact O-CB 3.41Å; P86-L89 PolarHBondContact O-N 3.32Å
87E91.4Very high93.1Very high150 Ų15066 Ų6670%0.70136%0.361SS*.G310 helixtrans-61.1-35.7179.2-68.3162.8-170.500112.2D85 L89 T90 N93D85-E87 PolarHBondContact O-N 2.88Å; E87-L89 PolarHBondContact O-N 2.93Å; E87-T90 PolarHBondContact O-N 2.74Å; E87-T90 PolarHBondContact O-OG1 3.12Å; E87-N93 WeakPolarHBondContact O-CB 3.48Å
88S91.1Very high92.1Very high12 Ų1266.4 Ų66.48%0.08436%0.364CS..G310 helixtrans-73.3-12.7177.1-46.10000113F75 D85 P86 C215F75-S88 WeakPolarHBondContact CE2-O 3.32Å; D85-S88 PolarHBondContact O-N 2.9Å; D85-S88 VanDerWaalsContact O-N 3.14Å; P86-S88 VanDerWaalsContact C-N 3.27Å; P86-S88 PolarHBondContact O-N 2.81Å; S88-C215 WeakPolarHBondContact OG-CB 3.28Å
89L94Very high90.8Very high66 Ų6668.9 Ų68.935%0.34639%0.39SS..G310 helixtrans-94.7-3.7-178.8-59.3178.3000112.8F75 R79 L84 P86 E87 Q94F75-L89 HydrophobicContact CE2-CD2 3.97Å; F75-L89 HydrophobicContact CZ-CD2 3.96Å; R79-L89 HydrophobicContact CB-CD2 3.97Å; R79-L89 HydrophobicContact CG-CD2 3.69Å; L84-L89 HydrophobicContact CB-CD2 4.3Å; L84-L89 HydrophobicContact CD1-CD2 4.07Å; P86-L89 WeakPolarHBondContact O-CB 3.41Å; P86-L89 PolarHBondContact O-N 3.32Å; E87-L89 PolarHBondContact O-N 2.93Å; L89-Q94 VanDerWaalsContact C-NE2 3.31Å; L89-Q94 PolarHBondContact O-NE2 3.24Å
90T94.9Very high89.3Confident50 Ų5066.2 Ų66.231%0.30739%0.389SS..SBendtrans-76.2145.3-178.971.70000111.1E87 E92 N93 Q94E87-T90 PolarHBondContact O-N 2.74Å; E87-T90 PolarHBondContact O-OG1 3.12Å; T90-E92 WeakPolarHBondContact CB-OE2 3.34Å; T90-E92 PolarHBondContact O-N 3.36Å; T90-N93 PolarHBondContact O-N 3.06Å; T90-N93 WeakPolarHBondContact OG1-CB 3.5Å; T90-N93 PolarHBondContact OG1-N 2.8Å; T90-Q94 VanDerWaalsContact O-CG 3.31Å; T90-Q94 WeakPolarHBondContact O-CG 3.46Å; T90-Q94 PolarHBondContact O-N 3.42Å; T90-Q94 PolarHBondContact O-NE2 2.93Å
91P91.9Very high88Confident78 Ų7864 Ų6451%0.50638%0.379SS..Hα-helixtrans-57.9-37.6172.4-24.234.7000112.2N93 Q94 D95P91-N93 VanDerWaalsContact C-N 3.27Å; P91-N93 PolarHBondContact O-N 2.98Å; P91-Q94 PolarHBondContact O-N 2.89Å; P91-Q94 VanDerWaalsContact O-N 3.09Å; P91-D95 PolarHBondContact O-N 2.77Å
92E91.3Very high86.5Confident139 Ų13963.7 Ų63.765%0.6538%0.381SS*.Hα-helixtrans-60-38.3179.1-62.976.1-166.200111.8T90 L96T90-E92 WeakPolarHBondContact CB-OE2 3.34Å; T90-E92 PolarHBondContact O-N 3.36Å; E92-L96 WeakPolarHBondContact O-CG 3.11Å
93N90.1Very high85.2Confident18 Ų1864.3 Ų64.310%0.09638%0.383CS..Hα-helixtrans-67.9-45.8174.6-176.8-75.5000111E87 T90 P91 D95 L96 G212 L213E87-N93 WeakPolarHBondContact O-CB 3.48Å; T90-N93 PolarHBondContact O-N 3.06Å; T90-N93 WeakPolarHBondContact OG1-CB 3.5Å; T90-N93 PolarHBondContact OG1-N 2.8Å; P91-N93 VanDerWaalsContact C-N 3.27Å; P91-N93 PolarHBondContact O-N 2.98Å; N93-D95 VanDerWaalsContact C-N 3.31Å; N93-D95 PolarHBondContact O-N 2.7Å; N93-L96 WeakPolarHBondContact O-CB 3.44Å; N93-L96 PolarHBondContact O-N 2.76Å; N93-G212 VanDerWaalsContact O-CA 3.27Å; N93-G212 WeakPolarHBondContact O-CA 3.48Å; N93-L213 PolarHBondContact O-N 3.01Å; N93-L213 PolarHBondContact OD1-N 3.15Å; N93-L213 PolarHBondContact OD1-O 3.36Å
94Q90.6Very high84.4Confident29 Ų2967.4 Ų67.414%0.13639%0.394CS..Hα-helixtrans-66.7-28.7-173.7-66.9171.241.800113.4P68 F75 L89 T90 P91 L96 P211 G212P68-Q94 WeakPolarHBondContact O-CG 3.37Å; F75-Q94 HydrophobicContact CZ-CG 4.31Å; L89-Q94 VanDerWaalsContact C-NE2 3.31Å; L89-Q94 PolarHBondContact O-NE2 3.24Å; T90-Q94 VanDerWaalsContact O-CG 3.31Å; T90-Q94 WeakPolarHBondContact O-CG 3.46Å; T90-Q94 PolarHBondContact O-N 3.42Å; T90-Q94 PolarHBondContact O-NE2 2.93Å; P91-Q94 PolarHBondContact O-N 2.89Å; P91-Q94 VanDerWaalsContact O-N 3.09Å; Q94-L96 VanDerWaalsContact C-N 3.34Å; Q94-P211 CarbonylContact O-C 3.56Å; Q94-G212 PolarHBondContact O-N 3.01Å
95D88.4Confident83.7Confident136 Ų13669.4 Ų69.473%0.72741%0.406SS*.THydrogen-bonded Turntrans-85-4.6-179.2-70.4-22.8000113.4P91 N93 A97P91-D95 PolarHBondContact O-N 2.77Å; N93-D95 VanDerWaalsContact C-N 3.31Å; N93-D95 PolarHBondContact O-N 2.7Å; D95-A97 PolarHBondContact O-N 3.35Å
96L85.3Confident83.5Confident77 Ų7769.4 Ų69.440%0.40341%0.408SS..  trans-69.8127.6179.6-69.3169.7000112E92 N93 Q94 I98 G212 L213E92-L96 WeakPolarHBondContact O-CG 3.11Å; N93-L96 WeakPolarHBondContact O-CB 3.44Å; N93-L96 PolarHBondContact O-N 2.76Å; Q94-L96 VanDerWaalsContact C-N 3.34Å; L96-I98 HydrophobicContact CB-CG2 4.12Å; L96-I98 PolarHBondContact O-N 3.2Å; L96-G212 PolarHBondContact O-N 3.13Å; L96-L213 HydrophobicContact CD1-CB 3.81Å
97A81.3Confident83.6Confident98 Ų9865.1 Ų65.181%0.8138%0.38SS*.  trans-96.183.4171.600000110.3D95D95-A97 PolarHBondContact O-N 3.35Å
98I75.4Confident83.8Confident31 Ų3158.8 Ų58.816%0.15935%0.35CS..  trans-86.2-1.3-177.260158.3000114.5L96 G100 H101 G212 L213L96-I98 HydrophobicContact CB-CG2 4.12Å; L96-I98 PolarHBondContact O-N 3.2Å; I98-G100 PolarHBondContact O-N 2.93Å; I98-H101 PolarHBondContact O-N 3.27Å; I98-G212 WeakPolarHBondContact CD1-O 3.38Å; I98-G212 WeakPolarHBondContact CG1-O 3.48Å; I98-L213 HydrophobicContact CD1-CD1 4.22Å; I98-L213 HydrophobicContact CG2-CB 4.46Å; I98-L213 HydrophobicContact CG2-CD1 4.18Å
99G70.1Confident84.1Confident53 Ų5359.3 Ų59.355%0.54635%0.35SS..THydrogen-bonded Turntrans60.916178.300000115.4
100G67.1Low84.2Confident32 Ų3256.2 Ų56.233%0.3333%0.334SS..THydrogen-bonded Turntrans87.9-4.8-179.700000115.7I98I98-G100 PolarHBondContact O-N 2.93Å
101H69.9Low84.4Confident87 Ų8754.4 Ų54.440%0.40332%0.324SS..SBendtrans-117112.6176.2-63-83.1000110.1I98 E187I98-H101 PolarHBondContact O-N 3.27Å; H101-E187 IonicContact CE1-OE1 2.78Å; H101-E187 PolarHBondContact CE1-OE1 3.06Å; H101-E187 VanDerWaalsContact CE1-OE1 3.22Å
102P66.9Low84.6Confident25 Ų2553.5 Ų53.516%0.16232%0.319CS..  trans-62141.9177.4-22.733.7000111.5W104 L213 D214P102-W104 HydrophobicContact CB-CD2 4.29Å; P102-W104 HydrophobicContact CB-CG 4.3Å; P102-W104 HydrophobicContact CB-CZ2 4.21Å; P102-W104 HydrophobicContact CG-CZ2 3.86Å; P102-W104 PolarHBondContact O-N 3.42Å; P102-L213 HydrophobicContact CB-CD1 4.23Å; P102-D214 HydrophobicContact CG-CB 4.45Å
103P69.9Low84.9Confident101 Ų10147.6 Ų47.666%0.65630%0.296SS*.  trans-77.770.1178.233.5-35.8000110.6
104W79.6Confident85.1Confident76 Ų7652.4 Ų52.429%0.28832%0.318SS..  trans-72141.5-177.5-67.9-33.1000112.5W64 P102 P106 E330 V331 T361W64-W104 HydrophobicContact CZ2-CZ2 4.44Å; P102-W104 HydrophobicContact CB-CD2 4.29Å; P102-W104 HydrophobicContact CB-CG 4.3Å; P102-W104 HydrophobicContact CB-CZ2 4.21Å; P102-W104 HydrophobicContact CG-CZ2 3.86Å; P102-W104 PolarHBondContact O-N 3.42Å; W104-P106 WeakPolarHBondContact O-CD 3.07Å; W104-E330 VanDerWaalsContact CA-OE2 3.25Å; W104-E330 WeakPolarHBondContact CA-OE2 3.41Å; W104-E330 HydrophobicContact CB-CB 4.03Å; W104-E330 HydrophobicContact CG-CB 4.25Å; W104-V331 HydrophobicContact CB-CB 4.11Å; W104-V331 HydrophobicContact CB-CG1 3.59Å; W104-V331 HydrophobicContact CD2-CB 4.29Å; W104-V331 HydrophobicContact CE3-CB 3.82Å; W104-V331 HydrophobicContact CE3-CG1 4.11Å; W104-V331 HydrophobicContact CE3-CG2 3.94Å; W104-V331 HydrophobicContact CG-CB 4.45Å; W104-V331 HydrophobicContact CG-CG1 4.39Å; W104-V331 HydrophobicContact CZ3-CG2 4.34Å; W104-T361 HydrophobicContact CE3-CG2 4.41Å; W104-T361 HydrophobicContact CH2-CG2 3.79Å; W104-T361 HydrophobicContact CZ2-CG2 4.24Å; W104-T361 HydrophobicContact CZ3-CG2 3.87Å
105V82.7Confident85.3Confident60 Ų6056 Ų5636%0.36433%0.333SS..  trans-70.8108.6168-177.20000109.4E330 V331V105-E330 HydrophobicContact CB-CG 4.37Å; V105-E330 PolarHBondContact N-OE2 3.21Å; V105-E330 PolarHBondContact O-N 2.99Å; V105-E330 VanDerWaalsContact O-N 3.08Å; V105-V331 PolarHBondContact O-N 2.78Å
106P89.1Confident85.6Confident37 Ų3750.6 Ų50.624%0.2430%0.303CS..EExtended strand (participates in β ladder)trans-95.8142-169.437.7-31.7000112.3W104 W108 V331 Y333W104-P106 WeakPolarHBondContact O-CD 3.07Å; P106-W108 HydrophobicContact CB-CD2 4.42Å; P106-W108 HydrophobicContact CB-CH2 4.11Å; P106-W108 HydrophobicContact CB-CZ2 3.75Å; P106-W108 HydrophobicContact CG-CE3 4.49Å; P106-W108 HydrophobicContact CG-CH2 3.28Å; P106-W108 HydrophobicContact CG-CZ2 3.33Å; P106-W108 HydrophobicContact CG-CZ3 3.88Å; P106-V331 CarbonylContact C-O 3.58Å; P106-V331 WeakPolarHBondContact CA-O 3.44Å; P106-V331 HydrophobicContact CB-CG1 3.79Å; P106-Y333 HydrophobicContact CB-CD2 3.93Å; P106-Y333 HydrophobicContact CB-CE2 3.75Å
107N94.3Very high86.1Confident12 Ų1250.3 Ų50.36%0.06431%0.305CS..EExtended strand (participates in β ladder)trans-114.6117.8165.1-87.7-11.5000109.2F109 K115 D326 C329 V331 I332 Y333N107-F109 HydrophobicContact CB-CE2 3.91Å; N107-K115 PolarHBondContact ND2-NZ 3.38Å; N107-K115 WeakPolarHBondContact OD1-CE 3.45Å; N107-K115 PolarHBondContact OD1-NZ 3.09Å; N107-D326 PolarHBondContact ND2-OD2 2.93Å; N107-C329 PolarHBondContact ND2-SG 3.13Å; N107-V331 PolarHBondContact N-O 3.1Å; N107-I332 HydrophobicContact CB-CG1 4.42Å; N107-I332 CarbonylContact O-C 3.58Å; N107-I332 VanDerWaalsContact O-CA 3.26Å; N107-I332 WeakPolarHBondContact O-CA 3.49Å; N107-Y333 PolarHBondContact O-N 2.98Å
108W95.6Very high86.6Confident18 Ų1849.4 Ų49.47%0.06829%0.291CS..EExtended strand (participates in β ladder)trans-98.5132.8177.1-57.7-86.1000110.8P106 K115 L116 P118 M121 V125 Y333P106-W108 HydrophobicContact CB-CD2 4.42Å; P106-W108 HydrophobicContact CB-CH2 4.11Å; P106-W108 HydrophobicContact CB-CZ2 3.75Å; P106-W108 HydrophobicContact CG-CE3 4.49Å; P106-W108 HydrophobicContact CG-CH2 3.28Å; P106-W108 HydrophobicContact CG-CZ2 3.33Å; P106-W108 HydrophobicContact CG-CZ3 3.88Å; W108-K115 CarbonylContact O-C 3.58Å; W108-K115 WeakPolarHBondContact O-CA 3.31Å; W108-L116 HydrophobicContact CB-CB 3.91Å; W108-L116 HydrophobicContact CB-CD1 4.34Å; W108-L116 PolarHBondContact O-N 3.23Å; W108-P118 HydrophobicContact CH2-CB 4.43Å; W108-P118 HydrophobicContact CZ3-CB 4.02Å; W108-P118 HydrophobicContact CZ3-CG 4.02Å; W108-M121 HydrophobicContact CB-CG 4.16Å; W108-M121 HydrophobicContact CB-SD 4.47Å; W108-M121 HydrophobicContact CD2-CB 3.8Å; W108-M121 HydrophobicContact CD2-CG 3.66Å; W108-M121 HydrophobicContact CE3-CB 3.99Å; W108-M121 HydrophobicContact CE3-CG 3.89Å; W108-M121 HydrophobicContact CG-CB 4.34Å; W108-M121 HydrophobicContact CG-CG 3.79Å; W108-M121 HydrophobicContact CG-SD 4.31Å; W108-M121 HydrophobicContact CH2-CB 4.03Å; W108-M121 HydrophobicContact CZ2-CB 3.87Å; W108-M121 HydrophobicContact CZ3-CB 4.12Å; W108-M121 HydrophobicContact CZ3-CG 4.48Å; W108-V125 HydrophobicContact CZ2-CG2 4.23Å; W108-Y333 AromaticContact CD1-CD2 3.65Å; W108-Y333 AromaticContact CD1-CG 3.92Å; W108-Y333 AromaticContact NE1-CD2 3.42Å
109F97.2Very high87.4Confident22 Ų2254.6 Ų54.610%0.09631%0.314CS..EExtended strand (participates in β ladder)trans-122.8136.6173-68.8-90.3000109.8N107 H114 K115 W324 I332 Y333 V335 F404N107-F109 HydrophobicContact CB-CE2 3.91Å; F109-H114 CarbonylContact C-O 3.54Å; F109-H114 WeakPolarHBondContact CA-O 3.33Å; F109-K115 HydrophobicContact CD1-CB 4.27Å; F109-K115 HydrophobicContact CE1-CB 4.05Å; F109-K115 HydrophobicContact CE1-CG 4.22Å; F109-K115 HydrophobicContact CZ-CD 4.47Å; F109-K115 HydrophobicContact CZ-CG 4.39Å; F109-W324 HydrophobicContact CE2-CZ3 4.29Å; F109-W324 HydrophobicContact CZ-CZ3 4.3Å; F109-I332 HydrophobicContact CD2-CG2 3.67Å; F109-I332 HydrophobicContact CE2-CG2 3.9Å; F109-Y333 PolarHBondContact N-O 2.84Å; F109-V335 PolarHBondContact O-N 3.21Å; F109-F404 HydrophobicContact CB-CB 4.1Å; F109-F404 HydrophobicContact CB-CD1 4.14Å; F109-F404 WeakPolarHBondContact CB-O 3.41Å; F109-F404 WeakPolarHBondContact CD1-O 3.46Å; F109-F404 VanDerWaalsContact O-CD1 3.31Å; F109-F404 WeakPolarHBondContact O-CD1 3.41Å
110S97.6Very high88.6Confident1 Ų153.9 Ų53.91%0.00730%0.298CS..EExtended strand (participates in β ladder)trans-86.9156.2172.972.50000111.6S112 G113 H114 V335 F404S110-S112 PolarHBondContact O-N 3.33Å; S110-S112 VanDerWaalsContact O-N 3.08Å; S110-S112 PolarHBondContact OG-OG 2.78Å; S110-G113 PolarHBondContact O-N 2.96Å; S110-H114 PolarHBondContact N-O 3.45Å; S110-H114 PolarHBondContact OG-N 3.34Å; S110-H114 PolarHBondContact OG-O 3.3Å; S110-V335 CarbonylContact C-O 3.57Å; S110-V335 WeakPolarHBondContact CA-O 3.37Å; S110-F404 VanDerWaalsContact C-CD1 3.44Å; S110-F404 WeakPolarHBondContact O-CD1 3.38Å
111S97.6Very high90Very high13 Ų1352.4 Ų52.49%0.09128%0.282CS..THydrogen-bonded Turntrans-65.6-10.2177.580.80000114.6V335 E337 R403 F404S111-V335 PolarHBondContact N-O 2.86Å; S111-E337 PolarHBondContact OG-OE2 3.31Å; S111-R403 WeakPolarHBondContact O-CG 3.5Å; S111-R403 PolarHBondContact O-NE 3.1Å; S111-R403 PolarHBondContact OG-NH2 3.39Å; S111-F404 VanDerWaalsContact N-CE1 3.35Å
112S97Very high91.1Very high59 Ų5949.1 Ų49.141%0.41327%0.272SS..THydrogen-bonded Turntrans-86.1-0.8171.453.70000114.1S110 H114 E337S110-S112 PolarHBondContact O-N 3.33Å; S110-S112 VanDerWaalsContact O-N 3.08Å; S110-S112 PolarHBondContact OG-OG 2.78Å; S112-H114 PolarHBondContact OG-ND1 3.28Å; S112-H114 VanDerWaalsContact OG-ND1 3.12Å; S112-E337 WeakPolarHBondContact CB-OE2 3.4Å; S112-E337 PolarHBondContact N-OE2 2.85Å; S112-E337 VanDerWaalsContact OG-CD 3.31Å; S112-E337 PolarHBondContact OG-OE1 2.94Å; S112-E337 VanDerWaalsContact OG-OE1 3.12Å; S112-E337 PolarHBondContact OG-OE2 3.46Å
113G96.9Very high92.5Very high15 Ų1549.7 Ų49.716%0.15528%0.276CS..SBendtrans9220.5174.900000114.7S110 R403 F404S110-G113 PolarHBondContact O-N 2.96Å; G113-R403 WeakPolarHBondContact CA-O 3.48Å; G113-R403 PolarHBondContact N-O 3.01Å; G113-F404 CarbonylContact C-O 3.57Å; G113-F404 WeakPolarHBondContact CA-O 3.49Å
114H94.9Very high93.7Very high119 Ų11944.9 Ų44.955%0.55125%0.245SC*.  trans-112.4139.7-177.7-58.397.9000111.6F109 S110 S112F109-H114 CarbonylContact C-O 3.54Å; F109-H114 WeakPolarHBondContact CA-O 3.33Å; S110-H114 PolarHBondContact N-O 3.45Å; S110-H114 PolarHBondContact OG-N 3.34Å; S110-H114 PolarHBondContact OG-O 3.3Å; S112-H114 PolarHBondContact OG-ND1 3.28Å; S112-H114 VanDerWaalsContact OG-ND1 3.12Å
115K94.9Very high94.4Very high104 Ų10444 Ų4445%0.45225%0.247SC..EExtended strand (participates in β ladder)trans-73.6128.3166.9-166.1175.5-176.4-177.70108.8N107 W108 F109 D326N107-K115 PolarHBondContact ND2-NZ 3.38Å; N107-K115 WeakPolarHBondContact OD1-CE 3.45Å; N107-K115 PolarHBondContact OD1-NZ 3.09Å; W108-K115 CarbonylContact O-C 3.58Å; W108-K115 WeakPolarHBondContact O-CA 3.31Å; F109-K115 HydrophobicContact CD1-CB 4.27Å; F109-K115 HydrophobicContact CE1-CB 4.05Å; F109-K115 HydrophobicContact CE1-CG 4.22Å; F109-K115 HydrophobicContact CZ-CD 4.47Å; F109-K115 HydrophobicContact CZ-CG 4.39Å; K115-D326 IonicContact NZ-OD2 2.64Å; K115-D326 PolarHBondContact NZ-OD2 2.82Å
116L95.1Very high95Very high22 Ų2246.9 Ų46.912%0.11526%0.257CS..EExtended strand (participates in β ladder)trans-93149.9178.9-56.7172.9000110.1W108 L120 M121 V175 V335W108-L116 HydrophobicContact CB-CB 3.91Å; W108-L116 HydrophobicContact CB-CD1 4.34Å; W108-L116 PolarHBondContact O-N 3.23Å; L116-L120 HydrophobicContact CD2-CD2 4.24Å; L116-M121 HydrophobicContact CB-CG 4.02Å; L116-M121 HydrophobicContact CB-SD 4.18Å; L116-M121 HydrophobicContact CD1-CE 4.19Å; L116-M121 HydrophobicContact CD1-SD 3.71Å; L116-V175 HydrophobicContact CD1-CG1 3.94Å; L116-V175 HydrophobicContact CD2-CG1 4.44Å; L116-V335 HydrophobicContact CD1-CB 4.02Å; L116-V335 HydrophobicContact CD1-CG1 4.32Å; L116-V335 HydrophobicContact CD1-CG2 3.97Å
117T94.4Very high95.4Very high72 Ų7245.1 Ų45.144%0.44225%0.246SC..PPolyproline II helixtrans-90.5152.1-174.181.70000112.4E119 L120 M121T117-E119 WeakPolarHBondContact CB-OE2 3.27Å; T117-E119 PolarHBondContact O-N 3.31Å; T117-E119 PolarHBondContact OG1-OE2 2.98Å; T117-L120 PolarHBondContact O-N 3.26Å; T117-L120 VanDerWaalsContact O-N 3.13Å; T117-L120 PolarHBondContact OG1-N 3.23Å; T117-M121 WeakPolarHBondContact O-CG 3.39Å; T117-M121 PolarHBondContact O-N 3.38Å
118P91.9Very high95.5Very high78 Ų7845 Ų4551%0.50625%0.245SC..Hα-helixtrans-55.4-36.7174.9-23.632.5000113.6W108 L120 M121 G122W108-P118 HydrophobicContact CH2-CB 4.43Å; W108-P118 HydrophobicContact CZ3-CB 4.02Å; W108-P118 HydrophobicContact CZ3-CG 4.02Å; P118-L120 VanDerWaalsContact C-N 3.27Å; P118-L120 PolarHBondContact O-N 3.15Å; P118-M121 PolarHBondContact O-N 3.28Å; P118-G122 WeakPolarHBondContact O-CA 3.23Å; P118-G122 PolarHBondContact O-N 2.98Å
119E93.6Very high95.4Very high140 Ų14046.7 Ų46.765%0.65426%0.262SS*.Hα-helixtrans-65.9-32.1-179.5-56.273.2-15700112T117T117-E119 WeakPolarHBondContact CB-OE2 3.27Å; T117-E119 PolarHBondContact O-N 3.31Å; T117-E119 PolarHBondContact OG1-OE2 2.98Å
120L94.8Very high95.3Very high39 Ų3948.8 Ų48.820%0.20427%0.272CS..Hα-helixtrans-74.8-40176.4-171.562.8000111.1L116 T117 P118 C172 V175 R176L116-L120 HydrophobicContact CD2-CD2 4.24Å; T117-L120 PolarHBondContact O-N 3.26Å; T117-L120 VanDerWaalsContact O-N 3.13Å; T117-L120 PolarHBondContact OG1-N 3.23Å; P118-L120 VanDerWaalsContact C-N 3.27Å; P118-L120 PolarHBondContact O-N 3.15Å; L120-C172 HydrophobicContact CD1-CB 4.04Å; L120-V175 HydrophobicContact CD2-CG1 4.2Å; L120-R176 WeakPolarHBondContact O-CG 3.3Å; L120-R176 PolarHBondContact O-NE 2.86Å
121M95.2Very high95.3Very high0 Ų048.8 Ų48.80%027%0.272CS..Hα-helixtrans-91.6-34-168.1-63.2-65.989.900114.1W108 L116 T117 P118 A124 V125 V175 R176 L179W108-M121 HydrophobicContact CB-CG 4.16Å; W108-M121 HydrophobicContact CB-SD 4.47Å; W108-M121 HydrophobicContact CD2-CB 3.8Å; W108-M121 HydrophobicContact CD2-CG 3.66Å; W108-M121 HydrophobicContact CE3-CB 3.99Å; W108-M121 HydrophobicContact CE3-CG 3.89Å; W108-M121 HydrophobicContact CG-CB 4.34Å; W108-M121 HydrophobicContact CG-CG 3.79Å; W108-M121 HydrophobicContact CG-SD 4.31Å; W108-M121 HydrophobicContact CH2-CB 4.03Å; W108-M121 HydrophobicContact CZ2-CB 3.87Å; W108-M121 HydrophobicContact CZ3-CB 4.12Å; W108-M121 HydrophobicContact CZ3-CG 4.48Å; L116-M121 HydrophobicContact CB-CG 4.02Å; L116-M121 HydrophobicContact CB-SD 4.18Å; L116-M121 HydrophobicContact CD1-CE 4.19Å; L116-M121 HydrophobicContact CD1-SD 3.71Å; T117-M121 WeakPolarHBondContact O-CG 3.39Å; T117-M121 PolarHBondContact O-N 3.38Å; P118-M121 PolarHBondContact O-N 3.28Å; M121-A124 WeakPolarHBondContact O-CB 3.45Å; M121-A124 PolarHBondContact O-N 2.76Å; M121-V125 PolarHBondContact O-N 2.75Å; M121-V175 HydrophobicContact CE-CG1 3.58Å; M121-R176 HydrophobicContact CE-CG 4.49Å; M121-L179 HydrophobicContact CB-CD2 3.74Å; M121-L179 HydrophobicContact CG-CD2 4.13Å; M121-L179 HydrophobicContact SD-CB 4.06Å; M121-L179 HydrophobicContact SD-CD2 3.5Å; M121-L179 WeakPolarHBondContact SD-CD2 3.37Å; M121-L179 HydrophobicContact SD-CG 4.25Å
122G94Very high95.1Very high18 Ų1849.1 Ų49.119%0.18627%0.273CS..Hα-helixtrans-47.6-50.7-176.800000114P118 A124 V125 E126P118-G122 WeakPolarHBondContact O-CA 3.23Å; P118-G122 PolarHBondContact O-N 2.98Å; G122-A124 PolarHBondContact O-N 2.83Å; G122-A124 VanDerWaalsContact O-N 3.13Å; G122-V125 PolarHBondContact O-N 2.85Å; G122-E126 WeakPolarHBondContact O-CG 3.37Å; G122-E126 PolarHBondContact O-N 3.29Å
123P95.6Very high94.8Very high38 Ų3853 Ų5325%0.24729%0.285CS..Hα-helixtrans-59.3-29.8-179.5-27.736.2000114.7L127 W165P123-L127 WeakPolarHBondContact O-CB 3.43Å; P123-L127 PolarHBondContact O-N 3.14Å; P123-L127 VanDerWaalsContact O-N 3.13Å; P123-W165 HydrophobicContact CB-CZ2 4.4Å
124A96.1Very high94.6Very high0 Ų055.2 Ų55.20%029%0.291CS..Hα-helixtrans-77.6-36.9177.400000112M121 G122 F128 W165 R176 L179 I180M121-A124 WeakPolarHBondContact O-CB 3.45Å; M121-A124 PolarHBondContact O-N 2.76Å; G122-A124 PolarHBondContact O-N 2.83Å; G122-A124 VanDerWaalsContact O-N 3.13Å; A124-F128 VanDerWaalsContact O-CB 3.29Å; A124-F128 WeakPolarHBondContact O-CB 3.31Å; A124-F128 PolarHBondContact O-N 3.25Å; A124-W165 HydrophobicContact CB-CH2 4.08Å; A124-W165 HydrophobicContact CB-CZ2 4.26Å; A124-R176 HydrophobicContact CB-CB 3.95Å; A124-R176 HydrophobicContact CB-CG 4.11Å; A124-L179 HydrophobicContact CB-CD2 3.97Å; A124-L179 HydrophobicContact CB-CG 4.44Å; A124-I180 HydrophobicContact CB-CD1 4.42Å; A124-I180 HydrophobicContact CB-CG1 4.1Å
125V94.9Very high94.4Very high56 Ų5649.6 Ų49.634%0.33927%0.265SS..Hα-helixtrans-64.4-46.9173.9179.60000110.3W108 M121 G122 F128 A129 L179W108-V125 HydrophobicContact CZ2-CG2 4.23Å; M121-V125 PolarHBondContact O-N 2.75Å; G122-V125 PolarHBondContact O-N 2.85Å; V125-F128 PolarHBondContact O-N 3.43Å; V125-A129 WeakPolarHBondContact O-CB 3.49Å; V125-A129 PolarHBondContact O-N 3.21Å; V125-L179 HydrophobicContact CG2-CD2 3.98Å
126E94.8Very high94.1Very high121 Ų12145.7 Ų45.757%0.56526%0.255SS*.Hα-helixtrans-58.6-52.9177.3-71.1169.1-173.400111.4G122 F128 A129 E130G122-E126 WeakPolarHBondContact O-CG 3.37Å; G122-E126 PolarHBondContact O-N 3.29Å; E126-F128 VanDerWaalsContact C-N 3.31Å; E126-F128 PolarHBondContact O-N 3.47Å; E126-A129 PolarHBondContact O-N 2.73Å; E126-E130 WeakPolarHBondContact O-CG 3.22Å; E126-E130 PolarHBondContact O-N 3.33Å
127L97Very high93.8Very high0 Ų049.5 Ų49.50%027%0.272CS..Hα-helixtrans-58.7-42.7178.717560.4000112.1P123 V131 V157 R160 A161 W165 I180P123-L127 WeakPolarHBondContact O-CB 3.43Å; P123-L127 PolarHBondContact O-N 3.14Å; P123-L127 VanDerWaalsContact O-N 3.13Å; L127-V131 HydrophobicContact CD1-CG2 4.13Å; L127-V131 VanDerWaalsContact O-CG2 3.32Å; L127-V131 WeakPolarHBondContact O-CG2 3.4Å; L127-V131 PolarHBondContact O-N 2.73Å; L127-V131 VanDerWaalsContact O-N 3.16Å; L127-V157 HydrophobicContact CD2-CG1 4.37Å; L127-R160 HydrophobicContact CD1-CB 3.63Å; L127-R160 HydrophobicContact CD1-CG 4.34Å; L127-R160 HydrophobicContact CD2-CB 4.48Å; L127-A161 HydrophobicContact CD2-CB 4.1Å; L127-W165 HydrophobicContact CB-CZ2 4.39Å; L127-W165 HydrophobicContact CD2-CH2 3.86Å; L127-W165 HydrophobicContact CD2-CZ2 3.81Å; L127-I180 HydrophobicContact CD2-CD1 4.31Å
128F96.5Very high93.4Very high11 Ų1147.5 Ų47.55%0.04826%0.257CS..Hα-helixtrans-66.4-42.9179.6-173.2-97.6000112A124 V125 E126 V131 L132 I153 I180 L183 L184 E187A124-F128 VanDerWaalsContact O-CB 3.29Å; A124-F128 WeakPolarHBondContact O-CB 3.31Å; A124-F128 PolarHBondContact O-N 3.25Å; V125-F128 PolarHBondContact O-N 3.43Å; E126-F128 VanDerWaalsContact C-N 3.31Å; E126-F128 PolarHBondContact O-N 3.47Å; F128-V131 PolarHBondContact O-N 3.15Å; F128-L132 HydrophobicContact CE1-CD2 4.24Å; F128-L132 VanDerWaalsContact O-CB 3.31Å; F128-L132 WeakPolarHBondContact O-CB 3.46Å; F128-L132 PolarHBondContact O-N 2.85Å; F128-I153 HydrophobicContact CD2-CG2 4.17Å; F128-I153 HydrophobicContact CE2-CD1 4.47Å; F128-I153 HydrophobicContact CE2-CG2 3.82Å; F128-I180 HydrophobicContact CD2-CG2 3.74Å; F128-I180 HydrophobicContact CE2-CG2 4.17Å; F128-L183 HydrophobicContact CB-CD1 3.65Å; F128-L183 HydrophobicContact CD1-CB 3.74Å; F128-L183 HydrophobicContact CD1-CD1 3.86Å; F128-L183 HydrophobicContact CD1-CG 4.34Å; F128-L183 HydrophobicContact CD2-CB 4.07Å; F128-L183 HydrophobicContact CD2-CD1 4.44Å; F128-L183 HydrophobicContact CE1-CB 3.69Å; F128-L183 HydrophobicContact CE2-CB 3.99Å; F128-L183 HydrophobicContact CG-CB 3.91Å; F128-L183 HydrophobicContact CG-CD1 3.72Å; F128-L183 HydrophobicContact CG-CG 4.47Å; F128-L183 HydrophobicContact CZ-CB 3.81Å; F128-L184 HydrophobicContact CE2-CD2 3.78Å; F128-L184 HydrophobicContact CE2-CG 4.1Å; F128-L184 HydrophobicContact CZ-CD2 4.33Å; F128-E187 HydrophobicContact CE1-CG 3.76Å; F128-E187 HydrophobicContact CZ-CG 3.62Å
129A93.9Very high92.7Very high53 Ų5345.5 Ų45.544%0.43825%0.245SC..Hα-helixtrans-61.8-45178.600000111.8V125 E126 L132 E133V125-A129 WeakPolarHBondContact O-CB 3.49Å; V125-A129 PolarHBondContact O-N 3.21Å; E126-A129 PolarHBondContact O-N 2.73Å; A129-L132 PolarHBondContact O-N 3.27Å; A129-E133 WeakPolarHBondContact O-CB 3.31Å; A129-E133 PolarHBondContact O-N 2.76Å
130E95.3Very high91.5Very high66 Ų6646.7 Ų46.731%0.30825%0.25SS..Hα-helixtrans-58.8-48.9175.9-70.3171.2-154.400111.9E126 L132 E133 E134 R164E126-E130 WeakPolarHBondContact O-CG 3.22Å; E126-E130 PolarHBondContact O-N 3.33Å; E130-L132 VanDerWaalsContact C-N 3.33Å; E130-L132 PolarHBondContact O-N 3.09Å; E130-E133 PolarHBondContact O-N 2.8Å; E130-E134 WeakPolarHBondContact O-CG 3.28Å; E130-E134 PolarHBondContact O-N 3.28Å; E130-E134 VanDerWaalsContact O-N 3.13Å; E130-R164 VanDerWaalsContact CD-NH1 3.27Å; E130-R164 IonicContact OE1-CZ 3.76Å; E130-R164 IonicContact OE1-NH1 2.7Å; E130-R164 PolarHBondContact OE1-NH1 3.34Å; E130-R164 IonicContact OE1-NH2 3.54Å; E130-R164 IonicContact OE2-CZ 3.75Å; E130-R164 IonicContact OE2-NH1 2.66Å; E130-R164 PolarHBondContact OE2-NH1 3.45Å; E130-R164 IonicContact OE2-NH2 3.56Å; E130-R164 PolarHBondContact OE2-NH2 3.11Å
131V96.1Very high90.2Very high0 Ų050.7 Ų50.70%027%0.268CS..Hα-helixtrans-65.2-38.8179.9174.50000110.8L127 F128 G135 F152 I153 E156 V157L127-V131 HydrophobicContact CD1-CG2 4.13Å; L127-V131 VanDerWaalsContact O-CG2 3.32Å; L127-V131 WeakPolarHBondContact O-CG2 3.4Å; L127-V131 PolarHBondContact O-N 2.73Å; L127-V131 VanDerWaalsContact O-N 3.16Å; F128-V131 PolarHBondContact O-N 3.15Å; V131-G135 PolarHBondContact O-N 3.23Å; V131-F152 HydrophobicContact CG1-CD1 4.45Å; V131-F152 HydrophobicContact CG1-CE1 3.93Å; V131-F152 HydrophobicContact CG1-CZ 4.28Å; V131-F152 VanDerWaalsContact O-CE1 3.22Å; V131-F152 WeakPolarHBondContact O-CE1 3.38Å; V131-I153 HydrophobicContact CG1-CB 4.28Å; V131-I153 HydrophobicContact CG1-CG1 4.09Å; V131-I153 HydrophobicContact CG1-CG2 4.27Å; V131-E156 HydrophobicContact CG1-CB 3.78Å; V131-E156 HydrophobicContact CG1-CG 4.38Å; V131-E156 HydrophobicContact CG2-CB 3.94Å; V131-V157 HydrophobicContact CG2-CG2 4.36Å
132L93.6Very high88.5Confident20 Ų2054.7 Ų54.711%0.10531%0.309CS..Hα-helixtrans-64.6-42.6178.2-17168000111.9F128 A129 E130 G135 G136 I153 E187 F204F128-L132 HydrophobicContact CE1-CD2 4.24Å; F128-L132 VanDerWaalsContact O-CB 3.31Å; F128-L132 WeakPolarHBondContact O-CB 3.46Å; F128-L132 PolarHBondContact O-N 2.85Å; A129-L132 PolarHBondContact O-N 3.27Å; E130-L132 VanDerWaalsContact C-N 3.33Å; E130-L132 PolarHBondContact O-N 3.09Å; L132-G135 PolarHBondContact O-N 3.38Å; L132-G136 PolarHBondContact O-N 3.05Å; L132-I153 HydrophobicContact CD1-CD1 4.07Å; L132-E187 HydrophobicContact CD1-CG 4.07Å; L132-E187 HydrophobicContact CD2-CG 4.22Å; L132-F204 HydrophobicContact CD1-CE1 3.99Å; L132-F204 HydrophobicContact CD1-CZ 3.73Å; L132-F204 HydrophobicContact CG-CZ 4.49Å
133E91.6Very high87.4Confident142 Ų14255.7 Ų55.766%0.66432%0.32SS*.Hα-helixtrans-58.9-49.8176.7-176.5172.3-16500111.1A129 E130 G135 G136A129-E133 WeakPolarHBondContact O-CB 3.31Å; A129-E133 PolarHBondContact O-N 2.76Å; E130-E133 PolarHBondContact O-N 2.8Å; E133-G135 PolarHBondContact O-N 3.02Å; E133-G136 PolarHBondContact O-N 3.35Å
134E92.8Very high86.7Confident60 Ų6058 Ų5828%0.2833%0.327SS..Hα-helixtrans-59.4-35176.3-69.8173.9-160.800112.6E130 G136 E137 F152 R160E130-E134 WeakPolarHBondContact O-CG 3.28Å; E130-E134 PolarHBondContact O-N 3.28Å; E130-E134 VanDerWaalsContact O-N 3.13Å; E134-G136 PolarHBondContact O-N 3.24Å; E134-E137 WeakPolarHBondContact O-CB 3.48Å; E134-E137 PolarHBondContact O-N 2.98Å; E134-E137 VanDerWaalsContact O-N 3.09Å; E134-F152 HydrophobicContact CB-CZ 4.05Å; E134-R160 IonicContact OE1-CZ 3.7Å; E134-R160 IonicContact OE1-NH1 2.64Å; E134-R160 PolarHBondContact OE1-NH1 3.07Å; E134-R160 IonicContact OE1-NH2 3.13Å; E134-R160 PolarHBondContact OE1-NH2 2.99Å; E134-R160 IonicContact OE2-CZ 2.62Å; E134-R160 IonicContact OE2-NH1 3.61Å; E134-R160 PolarHBondContact OE2-NH1 3.47Å; E134-R160 IonicContact OE2-NH2 3Å; E134-R160 PolarHBondContact OE2-NH2 3.45Å
135G91.4Very high86.2Confident1 Ų161.9 Ų61.91%0.0135%0.353CS..Hα-helixtrans-59.7-30.3175.400000113.1V131 L132 E133 E137V131-G135 PolarHBondContact O-N 3.23Å; L132-G135 PolarHBondContact O-N 3.38Å; E133-G135 PolarHBondContact O-N 3.02Å; G135-E137 VanDerWaalsContact C-N 3.31Å; G135-E137 PolarHBondContact O-N 3.34Å
136G88.4Confident86.1Confident23 Ų2361.7 Ų61.724%0.23735%0.346CS..Hα-helixtrans-72.7-19.9177.300000114.1L132 E133 E134 F138 S139 G205L132-G136 PolarHBondContact O-N 3.05Å; E133-G136 PolarHBondContact O-N 3.35Å; E134-G136 PolarHBondContact O-N 3.24Å; G136-F138 VanDerWaalsContact C-N 3.34Å; G136-F138 PolarHBondContact O-N 3.15Å; G136-S139 PolarHBondContact O-OG 2.86Å; G136-G205 VanDerWaalsContact O-CA 3.23Å; G136-G205 WeakPolarHBondContact O-CA 3.34Å
137E88.9Confident85.9Confident102 Ų10259.4 Ų59.448%0.47734%0.343SS..Hα-helixtrans-78-18.7-173.9-58.4-175.5168.300113.1E134 G135 S139 E140E134-E137 WeakPolarHBondContact O-CB 3.48Å; E134-E137 PolarHBondContact O-N 2.98Å; E134-E137 VanDerWaalsContact O-N 3.09Å; G135-E137 VanDerWaalsContact C-N 3.31Å; G135-E137 PolarHBondContact O-N 3.34Å; E137-S139 PolarHBondContact O-N 3.19Å; E137-S139 VanDerWaalsContact O-N 3.16Å; E137-E140 PolarHBondContact O-N 2.97Å
138F85.4Confident85.9Confident30 Ų3059.5 Ų59.513%0.13234%0.344CS..G310 helixtrans-65.9-19.4-176.3-73.7-72.8000114.7G136 E140 Q141 P145 F152 L201G136-F138 VanDerWaalsContact C-N 3.34Å; G136-F138 PolarHBondContact O-N 3.15Å; F138-E140 PolarHBondContact O-N 3.06Å; F138-E140 VanDerWaalsContact O-N 3.1Å; F138-Q141 PolarHBondContact O-N 3.14Å; F138-P145 HydrophobicContact CD1-CG 3.92Å; F138-P145 HydrophobicContact CE1-CG 3.32Å; F138-P145 HydrophobicContact CZ-CG 3.76Å; F138-F152 HydrophobicContact CE2-CD2 4.31Å; F138-F152 HydrophobicContact CE2-CE1 4.34Å; F138-F152 AromaticContact CE2-CE2 3.84Å; F138-F152 HydrophobicContact CE2-CE2 3.84Å; F138-F152 AromaticContact CE2-CZ 3.88Å; F138-F152 HydrophobicContact CE2-CZ 3.88Å; F138-F152 HydrophobicContact CZ-CE2 4.2Å; F138-L201 HydrophobicContact CB-CG 4.03Å; F138-L201 HydrophobicContact CD1-CD2 4.47Å; F138-L201 HydrophobicContact CD2-CD1 3.64Å; F138-L201 HydrophobicContact CD2-CD2 3.79Å; F138-L201 HydrophobicContact CD2-CG 3.67Å; F138-L201 HydrophobicContact CE2-CD1 4.23Å; F138-L201 HydrophobicContact CE2-CD2 4.02Å; F138-L201 HydrophobicContact CE2-CG 4.35Å; F138-L201 HydrophobicContact CG-CD1 4.32Å; F138-L201 HydrophobicContact CG-CD2 4.02Å; F138-L201 HydrophobicContact CG-CG 3.88Å; F138-L201 HydrophobicContact CZ-CD2 4.48Å
139S76.4Confident85.9Confident36 Ų3659 Ų5925%0.25234%0.342SS..G310 helixtrans-61.1-19.5176.866.40000113.9G136 E137 G202 G205G136-S139 PolarHBondContact O-OG 2.86Å; E137-S139 PolarHBondContact O-N 3.19Å; E137-S139 VanDerWaalsContact O-N 3.16Å; S139-G202 WeakPolarHBondContact CA-O 3.21Å; S139-G202 VanDerWaalsContact CB-O 3.26Å; S139-G202 WeakPolarHBondContact CB-O 3.48Å; S139-G205 PolarHBondContact OG-O 3.47Å
140E69.8Low86Confident164 Ų16456.5 Ų56.577%0.76632%0.321SS*.G310 helixtrans-101.1-12.6-178.6-58.4-174.5176.800113.1E137 F138E137-E140 PolarHBondContact O-N 2.97Å; F138-E140 PolarHBondContact O-N 3.06Å; F138-E140 VanDerWaalsContact O-N 3.1Å
141Q66.5Low86.1Confident123 Ų12356.6 Ų56.658%0.57532%0.322SS*.THydrogen-bonded Turntrans-99.8-3.1-168.6-60.3-174.911.300114.6F138 G143F138-Q141 PolarHBondContact O-N 3.14Å; Q141-G143 VanDerWaalsContact C-N 3.28Å; Q141-G143 PolarHBondContact O-N 2.93Å
142G59.7Low86.1Confident84 Ų8456.8 Ų56.887%0.86632%0.323SS*.SBendtrans72.68.4167.800000116.5
143G70Confident86.3Confident40 Ų4055.9 Ų55.941%0.41232%0.318SS..  trans-149.8150.4175.700000112.5Q141 P145Q141-G143 VanDerWaalsContact C-N 3.28Å; Q141-G143 PolarHBondContact O-N 2.93Å; G143-P145 WeakPolarHBondContact O-CD 3.34Å
144E81.3Confident86.6Confident86 Ų8651 Ų5140%0.40229%0.294SS..  trans-103.899.8174.5-60.4-171158.200108.2Y146 L201 G202E144-Y146 PolarHBondContact O-N 3.37Å; E144-L201 HydrophobicContact CG-CB 4.47Å; E144-G202 WeakPolarHBondContact OE1-CA 3.35Å; E144-G202 PolarHBondContact OE1-N 3.04Å
145P86.8Confident86.8Confident81 Ų8150.5 Ų50.553%0.52630%0.295SS..SBendtrans-68.5-16.8179.424.6-31.8000113.2F138 G143 L201F138-P145 HydrophobicContact CD1-CG 3.92Å; F138-P145 HydrophobicContact CE1-CG 3.32Å; F138-P145 HydrophobicContact CZ-CG 3.76Å; G143-P145 WeakPolarHBondContact O-CD 3.34Å; P145-L201 HydrophobicContact CG-CD2 4.21Å
146Y91.9Very high87.1Confident52 Ų5251.7 Ų51.720%0.20430%0.3CS..SBendtrans-126.3154.1177.2-58.8-82.7000109.5E144 S148 E151 F152 T155 E156 L201E144-Y146 PolarHBondContact O-N 3.37Å; Y146-S148 PolarHBondContact O-N 3.17Å; Y146-E151 HydrophobicContact CD1-CG 4.18Å; Y146-F152 HydrophobicContact CD2-CB 3.76Å; Y146-F152 AromaticContact CD2-CD2 3.46Å; Y146-F152 HydrophobicContact CD2-CD2 3.46Å; Y146-F152 VanDerWaalsContact CD2-CD2 3.46Å; Y146-F152 HydrophobicContact CD2-CE2 4.44Å; Y146-F152 HydrophobicContact CD2-CG 4.03Å; Y146-F152 HydrophobicContact CE2-CB 4.42Å; Y146-F152 AromaticContact CE2-CD2 3.36Å; Y146-F152 HydrophobicContact CE2-CD2 3.36Å; Y146-F152 HydrophobicContact CE2-CE2 4.05Å; Y146-F152 HydrophobicContact CE2-CG 4.34Å; Y146-F152 HydrophobicContact CG-CB 3.93Å; Y146-F152 HydrophobicContact CG-CD2 4.37Å; Y146-T155 HydrophobicContact CE1-CG2 3.95Å; Y146-E156 PolarHBondContact OH-OE1 2.92Å; Y146-L201 HydrophobicContact CD2-CD2 4.03Å
147S91.6Very high87.6Confident73 Ų7350.6 Ų50.651%0.5129%0.288SS..SBendtrans-68.1-19.4-177.766.60000113.9E151 T435S147-E151 WeakPolarHBondContact CB-OE2 3.35Å; S147-E151 PolarHBondContact N-OE2 3.48Å; S147-E151 PolarHBondContact OG-OE2 2.92Å; S147-T435 VanDerWaalsContact O-CG2 3.3Å; S147-T435 WeakPolarHBondContact O-CG2 3.38Å
148S95.8Very high88Confident2 Ų251.8 Ų51.81%0.01429%0.289CS..SBendtrans-164165.3-17557.60000112Y146 G150 E151 F152 D197 L199Y146-S148 PolarHBondContact O-N 3.17Å; S148-G150 VanDerWaalsContact C-N 3.29Å; S148-G150 PolarHBondContact O-N 3.06Å; S148-E151 PolarHBondContact O-N 3.27Å; S148-E151 WeakPolarHBondContact OG-CB 3.29Å; S148-E151 PolarHBondContact OG-N 3.36Å; S148-F152 PolarHBondContact O-N 2.94Å; S148-F152 VanDerWaalsContact O-N 3.08Å; S148-D197 WeakPolarHBondContact CB-O 3.33Å; S148-D197 WeakPolarHBondContact OG-CA 3.31Å; S148-L199 CarbonylContact C-O 3.5Å; S148-L199 VanDerWaalsContact CA-O 3.25Å; S148-L199 WeakPolarHBondContact CA-O 3.44Å; S148-L199 WeakPolarHBondContact CB-O 3.26Å
149V96.3Very high88.5Confident1 Ų155.4 Ų55.41%0.00631%0.306CS..Hα-helixtrans-60.7-40.4170.7176.10000111E151 F152 I153 L199 L201 F204V149-E151 PolarHBondContact O-N 2.93Å; V149-F152 PolarHBondContact O-N 3.19Å; V149-I153 HydrophobicContact CG1-CD1 3.61Å; V149-I153 HydrophobicContact CG1-CG1 4.17Å; V149-I153 WeakPolarHBondContact O-CG1 3.27Å; V149-I153 PolarHBondContact O-N 3.26Å; V149-L199 HydrophobicContact CB-CB 4.12Å; V149-L199 HydrophobicContact CB-CD2 4Å; V149-L199 HydrophobicContact CB-CG 4.26Å; V149-L199 HydrophobicContact CG1-CD2 4.22Å; V149-L199 HydrophobicContact CG2-CB 4.09Å; V149-L199 HydrophobicContact CG2-CD2 3.84Å; V149-L199 HydrophobicContact CG2-CG 3.83Å; V149-L199 PolarHBondContact N-O 3.18Å; V149-L201 HydrophobicContact CG2-CB 4.45Å; V149-L201 HydrophobicContact CG2-CD1 4.02Å; V149-F204 HydrophobicContact CG1-CE1 4.49Å; V149-F204 HydrophobicContact CG2-CB 3.76Å; V149-F204 HydrophobicContact CG2-CD1 4.1Å; V149-F204 HydrophobicContact CG2-CD2 4.02Å; V149-F204 HydrophobicContact CG2-CG 3.7Å
150G97.2Very high89.5Confident0 Ų055.6 Ų55.60%030%0.301CS..Hα-helixtrans-59.7-45.3175.500000112.1S148 R154 L196S148-G150 VanDerWaalsContact C-N 3.29Å; S148-G150 PolarHBondContact O-N 3.06Å; G150-R154 WeakPolarHBondContact O-CG 3.27Å; G150-R154 PolarHBondContact O-N 3.16Å; G150-R154 PolarHBondContact O-NE 2.85Å; G150-R154 PolarHBondContact O-NH1 3.18Å; G150-R154 PolarHBondContact O-NH2 3.26Å; G150-L196 PolarHBondContact N-O 3.45Å
151E96.8Very high90.8Very high68 Ų6848.2 Ų48.232%0.31827%0.268SS..Hα-helixtrans-58.3-50.3175.9-168.9177.6-162.500113Y146 S147 S148 V149 R154 T155Y146-E151 HydrophobicContact CD1-CG 4.18Å; S147-E151 WeakPolarHBondContact CB-OE2 3.35Å; S147-E151 PolarHBondContact N-OE2 3.48Å; S147-E151 PolarHBondContact OG-OE2 2.92Å; S148-E151 PolarHBondContact O-N 3.27Å; S148-E151 WeakPolarHBondContact OG-CB 3.29Å; S148-E151 PolarHBondContact OG-N 3.36Å; V149-E151 PolarHBondContact O-N 2.93Å; E151-R154 VanDerWaalsContact CA-NH1 3.27Å; E151-R154 PolarHBondContact O-NH1 2.73Å; E151-T155 WeakPolarHBondContact O-CB 3.4Å; E151-T155 PolarHBondContact O-N 3.02Å; E151-T155 PolarHBondContact O-OG1 3.46Å
152F96.9Very high92.1Very high4 Ų445.5 Ų45.52%0.01827%0.267CS..Hα-helixtrans-55.7-56.1177.5169.7-116000111.7V131 E134 F138 Y146 S148 V149 R154 T155 E156 L201V131-F152 HydrophobicContact CG1-CD1 4.45Å; V131-F152 HydrophobicContact CG1-CE1 3.93Å; V131-F152 HydrophobicContact CG1-CZ 4.28Å; V131-F152 VanDerWaalsContact O-CE1 3.22Å; V131-F152 WeakPolarHBondContact O-CE1 3.38Å; E134-F152 HydrophobicContact CB-CZ 4.05Å; F138-F152 HydrophobicContact CE2-CD2 4.31Å; F138-F152 HydrophobicContact CE2-CE1 4.34Å; F138-F152 AromaticContact CE2-CE2 3.84Å; F138-F152 HydrophobicContact CE2-CE2 3.84Å; F138-F152 AromaticContact CE2-CZ 3.88Å; F138-F152 HydrophobicContact CE2-CZ 3.88Å; F138-F152 HydrophobicContact CZ-CE2 4.2Å; Y146-F152 HydrophobicContact CD2-CB 3.76Å; Y146-F152 AromaticContact CD2-CD2 3.46Å; Y146-F152 HydrophobicContact CD2-CD2 3.46Å; Y146-F152 VanDerWaalsContact CD2-CD2 3.46Å; Y146-F152 HydrophobicContact CD2-CE2 4.44Å; Y146-F152 HydrophobicContact CD2-CG 4.03Å; Y146-F152 HydrophobicContact CE2-CB 4.42Å; Y146-F152 AromaticContact CE2-CD2 3.36Å; Y146-F152 HydrophobicContact CE2-CD2 3.36Å; Y146-F152 HydrophobicContact CE2-CE2 4.05Å; Y146-F152 HydrophobicContact CE2-CG 4.34Å; Y146-F152 HydrophobicContact CG-CB 3.93Å; Y146-F152 HydrophobicContact CG-CD2 4.37Å; S148-F152 PolarHBondContact O-N 2.94Å; S148-F152 VanDerWaalsContact O-N 3.08Å; V149-F152 PolarHBondContact O-N 3.19Å; F152-R154 PolarHBondContact O-N 2.65Å; F152-T155 PolarHBondContact O-N 3.01Å; F152-T155 VanDerWaalsContact O-N 3.14Å; F152-E156 HydrophobicContact CD2-CG 3.68Å; F152-E156 HydrophobicContact CE2-CG 3.36Å; F152-E156 HydrophobicContact CZ-CG 3.95Å; F152-E156 PolarHBondContact O-N 3.41Å; F152-L201 HydrophobicContact CB-CD1 4.27Å; F152-L201 HydrophobicContact CB-CD2 4.18Å; F152-L201 HydrophobicContact CD1-CD1 4.04Å; F152-L201 HydrophobicContact CG-CD1 4.23Å; F152-L201 HydrophobicContact CG-CD2 4.39Å
153I97.6Very high93.8Very high2 Ų247.3 Ų47.31%0.0125%0.252CS..Hα-helixtrans-58.6-49.9-174.5-66.8170.7000111F128 V131 L132 V149 T155 E156 V157 L184 L196F128-I153 HydrophobicContact CD2-CG2 4.17Å; F128-I153 HydrophobicContact CE2-CD1 4.47Å; F128-I153 HydrophobicContact CE2-CG2 3.82Å; V131-I153 HydrophobicContact CG1-CB 4.28Å; V131-I153 HydrophobicContact CG1-CG1 4.09Å; V131-I153 HydrophobicContact CG1-CG2 4.27Å; L132-I153 HydrophobicContact CD1-CD1 4.07Å; V149-I153 HydrophobicContact CG1-CD1 3.61Å; V149-I153 HydrophobicContact CG1-CG1 4.17Å; V149-I153 WeakPolarHBondContact O-CG1 3.27Å; V149-I153 PolarHBondContact O-N 3.26Å; I153-T155 VanDerWaalsContact C-N 3.26Å; I153-T155 PolarHBondContact O-N 3.34Å; I153-E156 PolarHBondContact O-N 2.93Å; I153-V157 HydrophobicContact CG2-CG2 3.93Å; I153-V157 WeakPolarHBondContact O-CB 3.45Å; I153-V157 WeakPolarHBondContact O-CG2 3.4Å; I153-V157 PolarHBondContact O-N 3.46Å; I153-L184 HydrophobicContact CB-CD2 4.27Å; I153-L184 HydrophobicContact CD1-CD2 4.27Å; I153-L184 HydrophobicContact CG2-CD2 3.72Å; I153-L196 HydrophobicContact CD1-CD1 3.89Å
154R97.9Very high95Very high40 Ų4050.9 Ų50.915%0.15125%0.254CS..Hα-helixtrans-69.2-27.4-176.4-42.6169.6-100.665.2-9.2112.3G150 E151 F152 R158 L184 D197 L342G150-R154 WeakPolarHBondContact O-CG 3.27Å; G150-R154 PolarHBondContact O-N 3.16Å; G150-R154 PolarHBondContact O-NE 2.85Å; G150-R154 PolarHBondContact O-NH1 3.18Å; G150-R154 PolarHBondContact O-NH2 3.26Å; E151-R154 VanDerWaalsContact CA-NH1 3.27Å; E151-R154 PolarHBondContact O-NH1 2.73Å; F152-R154 PolarHBondContact O-N 2.65Å; R154-R158 WeakPolarHBondContact O-CB 3.46Å; R154-R158 WeakPolarHBondContact O-CG 3.43Å; R154-R158 PolarHBondContact O-N 2.83Å; R154-R158 VanDerWaalsContact O-N 3.14Å; R154-L184 HydrophobicContact CG-CD1 4.41Å; R154-D197 IonicContact CZ-OD1 2.82Å; R154-D197 IonicContact NE-OD1 3.7Å; R154-D197 IonicContact NH2-OD1 3.73Å; R154-D197 PolarHBondContact NH2-OD1 2.9Å; R154-D197 IonicContact NH2-OD2 3.99Å; R154-L342 HydrophobicContact CB-CB 4.17Å; R154-L342 HydrophobicContact CB-CD1 3.78Å; R154-L342 VanDerWaalsContact CD-O 3.26Å; R154-L342 WeakPolarHBondContact CD-O 3.4Å; R154-L342 HydrophobicContact CG-CB 3.88Å; R154-L342 HydrophobicContact CG-CD1 4.36Å
155T97.1Very high95.7Very high49 Ų4947.3 Ų47.330%0.30124%0.236SC..Hα-helixtrans-69.8-53.3177-570000110.4Y146 E151 F152 I153 V157 R158 Q159Y146-T155 HydrophobicContact CE1-CG2 3.95Å; E151-T155 WeakPolarHBondContact O-CB 3.4Å; E151-T155 PolarHBondContact O-N 3.02Å; E151-T155 PolarHBondContact O-OG1 3.46Å; F152-T155 PolarHBondContact O-N 3.01Å; F152-T155 VanDerWaalsContact O-N 3.14Å; I153-T155 VanDerWaalsContact C-N 3.26Å; I153-T155 PolarHBondContact O-N 3.34Å; T155-V157 PolarHBondContact O-N 3.14Å; T155-R158 PolarHBondContact O-N 3.12Å; T155-Q159 PolarHBondContact O-N 3.08Å; T155-Q159 VanDerWaalsContact O-N 3.1Å
156E97.6Very high96Very high25 Ų2551.2 Ų51.212%0.11725%0.248CC..Hα-helixtrans-63.1-43.3179.3-68.3-57.8137.200112.1V131 Y146 F152 I153 R158 Q159 R160V131-E156 HydrophobicContact CG1-CB 3.78Å; V131-E156 HydrophobicContact CG1-CG 4.38Å; V131-E156 HydrophobicContact CG2-CB 3.94Å; Y146-E156 PolarHBondContact OH-OE1 2.92Å; F152-E156 HydrophobicContact CD2-CG 3.68Å; F152-E156 HydrophobicContact CE2-CG 3.36Å; F152-E156 HydrophobicContact CZ-CG 3.95Å; F152-E156 PolarHBondContact O-N 3.41Å; I153-E156 PolarHBondContact O-N 2.93Å; E156-R158 PolarHBondContact O-N 2.96Å; E156-Q159 PolarHBondContact O-N 3.02Å; E156-R160 WeakPolarHBondContact O-CB 3.39Å; E156-R160 VanDerWaalsContact O-CG 3.27Å; E156-R160 WeakPolarHBondContact O-CG 3.31Å; E156-R160 PolarHBondContact O-N 3.02Å; E156-R160 IonicContact OE2-CZ 3.99Å; E156-R160 IonicContact OE2-NE 2.98Å; E156-R160 PolarHBondContact OE2-NE 3.46Å; E156-R160 VanDerWaalsContact OE2-NE 3.15Å; E156-R160 IonicContact OE2-NH2 2.75Å; E156-R160 PolarHBondContact OE2-NH2 2.93Å
157V98.1Very high96Very high0 Ų052.4 Ų52.40%028%0.275CS..Hα-helixtrans-59.4-47.5176.2165.30000110.7L127 V131 I153 T155 Q159 A161 L177 I180 L342L127-V157 HydrophobicContact CD2-CG1 4.37Å; V131-V157 HydrophobicContact CG2-CG2 4.36Å; I153-V157 HydrophobicContact CG2-CG2 3.93Å; I153-V157 WeakPolarHBondContact O-CB 3.45Å; I153-V157 WeakPolarHBondContact O-CG2 3.4Å; I153-V157 PolarHBondContact O-N 3.46Å; T155-V157 PolarHBondContact O-N 3.14Å; V157-Q159 PolarHBondContact O-N 3.02Å; V157-A161 WeakPolarHBondContact O-CA 3.34Å; V157-A161 WeakPolarHBondContact O-CB 3.48Å; V157-A161 PolarHBondContact O-N 3.41Å; V157-L177 HydrophobicContact CG1-CD2 4.23Å; V157-I180 HydrophobicContact CG1-CD1 3.45Å; V157-I180 VanDerWaalsContact CG1-CD1 3.45Å; V157-I180 HydrophobicContact CG1-CG2 4.28Å; V157-I180 HydrophobicContact CG2-CD1 4.25Å; V157-I180 HydrophobicContact CG2-CG2 4.37Å; V157-L342 HydrophobicContact CB-CD1 4.18Å; V157-L342 HydrophobicContact CG1-CD1 3.75Å; V157-L342 HydrophobicContact CG1-CD2 3.96Å
158R97Very high96.1Very high128 Ų12851.8 Ų51.848%0.48327%0.266SS..Hα-helixtrans-61.8-45-179.2-78.8175.7-176.1135.72.8111.9R154 T155 E156 A162 D341 L342R154-R158 WeakPolarHBondContact O-CB 3.46Å; R154-R158 WeakPolarHBondContact O-CG 3.43Å; R154-R158 PolarHBondContact O-N 2.83Å; R154-R158 VanDerWaalsContact O-N 3.14Å; T155-R158 PolarHBondContact O-N 3.12Å; E156-R158 PolarHBondContact O-N 2.96Å; R158-A162 WeakPolarHBondContact O-CB 3.45Å; R158-A162 PolarHBondContact O-N 2.93Å; R158-A162 VanDerWaalsContact O-N 3.15Å; R158-D341 PolarHBondContact NH2-O 3.23Å; R158-L342 HydrophobicContact CG-CD1 3.72Å
159Q96.4Very high96.1Very high105 Ų10554.8 Ų54.849%0.49129%0.287SS..Hα-helixtrans-62.1-53.5179.4-178.7178-14.700111.1T155 E156 V157 A162 E163T155-Q159 PolarHBondContact O-N 3.08Å; T155-Q159 VanDerWaalsContact O-N 3.1Å; E156-Q159 PolarHBondContact O-N 3.02Å; V157-Q159 PolarHBondContact O-N 3.02Å; Q159-A162 PolarHBondContact O-N 3.05Å; Q159-E163 PolarHBondContact O-N 3.02Å
160R97.6Very high96Very high41 Ų4161.4 Ų61.416%0.15532%0.322CS..Hα-helixtrans-71-35.5-175.5-64173.1-164.2-152.72.3112.4L127 E134 E156 E163 R164L127-R160 HydrophobicContact CD1-CB 3.63Å; L127-R160 HydrophobicContact CD1-CG 4.34Å; L127-R160 HydrophobicContact CD2-CB 4.48Å; E134-R160 IonicContact OE1-CZ 3.7Å; E134-R160 IonicContact OE1-NH1 2.64Å; E134-R160 PolarHBondContact OE1-NH1 3.07Å; E134-R160 IonicContact OE1-NH2 3.13Å; E134-R160 PolarHBondContact OE1-NH2 2.99Å; E134-R160 IonicContact OE2-CZ 2.62Å; E134-R160 IonicContact OE2-NH1 3.61Å; E134-R160 PolarHBondContact OE2-NH1 3.47Å; E134-R160 IonicContact OE2-NH2 3Å; E134-R160 PolarHBondContact OE2-NH2 3.45Å; E156-R160 WeakPolarHBondContact O-CB 3.39Å; E156-R160 VanDerWaalsContact O-CG 3.27Å; E156-R160 WeakPolarHBondContact O-CG 3.31Å; E156-R160 PolarHBondContact O-N 3.02Å; E156-R160 IonicContact OE2-CZ 3.99Å; E156-R160 IonicContact OE2-NE 2.98Å; E156-R160 PolarHBondContact OE2-NE 3.46Å; E156-R160 VanDerWaalsContact OE2-NE 3.15Å; E156-R160 IonicContact OE2-NH2 2.75Å; E156-R160 PolarHBondContact OE2-NH2 2.93Å; R160-E163 PolarHBondContact O-N 3.34Å; R160-R164 VanDerWaalsContact O-CB 3.29Å; R160-R164 WeakPolarHBondContact O-CB 3.27Å; R160-R164 VanDerWaalsContact O-CG 3.28Å; R160-R164 WeakPolarHBondContact O-CG 3.18Å; R160-R164 PolarHBondContact O-N 3.13Å
161A96.4Very high95.8Very high8 Ų865.4 Ų65.47%0.06635%0.35CS..Hα-helixtrans-64-41.2175.700000111.6L127 V157 E163 W165 L177L127-A161 HydrophobicContact CD2-CB 4.1Å; V157-A161 WeakPolarHBondContact O-CA 3.34Å; V157-A161 WeakPolarHBondContact O-CB 3.48Å; V157-A161 PolarHBondContact O-N 3.41Å; A161-E163 PolarHBondContact O-N 3.36Å; A161-W165 HydrophobicContact CB-CD2 4.2Å; A161-W165 HydrophobicContact CB-CE3 3.57Å; A161-W165 HydrophobicContact CB-CH2 4.22Å; A161-W165 HydrophobicContact CB-CZ3 3.59Å; A161-W165 WeakPolarHBondContact O-CB 3.42Å; A161-W165 PolarHBondContact O-N 3.13Å; A161-L177 HydrophobicContact CB-CD2 4.32Å
162A94Very high95.7Very high67 Ų6763.8 Ų63.855%0.55435%0.346SS*.Hα-helixtrans-60.3-34.3177.200000112.1R158 Q159 Q166R158-A162 WeakPolarHBondContact O-CB 3.45Å; R158-A162 PolarHBondContact O-N 2.93Å; R158-A162 VanDerWaalsContact O-N 3.15Å; Q159-A162 PolarHBondContact O-N 3.05Å; A162-Q166 WeakPolarHBondContact O-CB 3.39Å
163E95.1Very high95.7Very high121 Ų12165.9 Ų65.957%0.56536%0.356SS*.Hα-helixtrans-81.5-52.3177.1-66174.6-17400112.4Q159 R160 A161 W165 Q166Q159-E163 PolarHBondContact O-N 3.02Å; R160-E163 PolarHBondContact O-N 3.34Å; A161-E163 PolarHBondContact O-N 3.36Å; E163-W165 PolarHBondContact O-N 3.13Å; E163-Q166 WeakPolarHBondContact O-CG 3.45Å
164R96.1Very high95.6Very high115 Ų11567.7 Ų67.743%0.43437%0.368SS..Hα-helixtrans-68.3-31.4-173.7-69.4-175.9-172.5-162.84.9113.1E130 R160E130-R164 VanDerWaalsContact CD-NH1 3.27Å; E130-R164 IonicContact OE1-CZ 3.76Å; E130-R164 IonicContact OE1-NH1 2.7Å; E130-R164 PolarHBondContact OE1-NH1 3.34Å; E130-R164 IonicContact OE1-NH2 3.54Å; E130-R164 IonicContact OE2-CZ 3.75Å; E130-R164 IonicContact OE2-NH1 2.66Å; E130-R164 PolarHBondContact OE2-NH1 3.45Å; E130-R164 IonicContact OE2-NH2 3.56Å; E130-R164 PolarHBondContact OE2-NH2 3.11Å; R160-R164 VanDerWaalsContact O-CB 3.29Å; R160-R164 WeakPolarHBondContact O-CB 3.27Å; R160-R164 VanDerWaalsContact O-CG 3.28Å; R160-R164 WeakPolarHBondContact O-CG 3.18Å; R160-R164 PolarHBondContact O-N 3.13Å
165W95.7Very high95.6Very high11 Ų1166.4 Ų66.44%0.04237%0.365CS..THydrogen-bonded Turntrans-112.314.7-173.7-52.6-27.4000113.5P123 A124 L127 A161 E163 G167 D168 Q173 R176 L177 I180P123-W165 HydrophobicContact CB-CZ2 4.4Å; A124-W165 HydrophobicContact CB-CH2 4.08Å; A124-W165 HydrophobicContact CB-CZ2 4.26Å; L127-W165 HydrophobicContact CB-CZ2 4.39Å; L127-W165 HydrophobicContact CD2-CH2 3.86Å; L127-W165 HydrophobicContact CD2-CZ2 3.81Å; A161-W165 HydrophobicContact CB-CD2 4.2Å; A161-W165 HydrophobicContact CB-CE3 3.57Å; A161-W165 HydrophobicContact CB-CH2 4.22Å; A161-W165 HydrophobicContact CB-CZ3 3.59Å; A161-W165 WeakPolarHBondContact O-CB 3.42Å; A161-W165 PolarHBondContact O-N 3.13Å; E163-W165 PolarHBondContact O-N 3.13Å; W165-G167 PolarHBondContact O-N 2.62Å; W165-D168 WeakPolarHBondContact CA-OD2 3.29Å; W165-D168 HydrophobicContact CB-CB 4.39Å; W165-D168 WeakPolarHBondContact CB-OD2 3.08Å; W165-D168 WeakPolarHBondContact O-CB 3.28Å; W165-D168 PolarHBondContact O-N 2.96Å; W165-Q173 HydrophobicContact CB-CG 4.06Å; W165-Q173 PolarHBondContact O-NE2 2.84Å; W165-R176 HydrophobicContact CE3-CB 4.19Å; W165-R176 HydrophobicContact CH2-CB 3.73Å; W165-R176 HydrophobicContact CH2-CG 4.49Å; W165-R176 HydrophobicContact CZ2-CB 4.34Å; W165-R176 HydrophobicContact CZ3-CB 3.63Å; W165-L177 HydrophobicContact CZ3-CD2 4.03Å; W165-L177 HydrophobicContact CZ3-CG 4.27Å; W165-I180 HydrophobicContact CH2-CD1 3.93Å
166Q92.4Very high95.6Very high164 Ų16464.9 Ų64.977%0.76635%0.354SS*.THydrogen-bonded Turntrans-54.8-27.2-179.265.4-180-10.900114.6A162 E163A162-Q166 WeakPolarHBondContact O-CB 3.39Å; E163-Q166 WeakPolarHBondContact O-CG 3.45Å
167G91.6Very high95.6Very high76 Ų7665.6 Ų65.678%0.78436%0.358SS*.THydrogen-bonded Turntrans-90.3-8.3179.400000114.6W165W165-G167 PolarHBondContact O-N 2.62Å
168D94.1Very high95.6Very high60 Ų6065.6 Ų65.632%0.32136%0.358SS..SBendtrans-82156.2-178.8-67-53.1000111.9W165 C172 Q173 R176W165-D168 WeakPolarHBondContact CA-OD2 3.29Å; W165-D168 HydrophobicContact CB-CB 4.39Å; W165-D168 WeakPolarHBondContact CB-OD2 3.08Å; W165-D168 WeakPolarHBondContact O-CB 3.28Å; W165-D168 PolarHBondContact O-N 2.96Å; D168-C172 HydrophobicContact CB-CB 4.22Å; D168-Q173 HydrophobicContact CB-CG 4.06Å; D168-Q173 PolarHBondContact O-NE2 3.34Å; D168-R176 VanDerWaalsContact CG-NH1 3.31Å; D168-R176 IonicContact OD1-NH1 3.15Å; D168-R176 IonicContact OD2-CZ 3.79Å; D168-R176 IonicContact OD2-NH1 2.73Å; D168-R176 PolarHBondContact OD2-NH1 3.16Å; D168-R176 IonicContact OD2-NH2 2.65Å
169S95.8Very high95.6Very high65 Ų6559.5 Ų59.546%0.45534%0.335SS..  trans-63.1149.8172.282.50000111.2S171 C172 Q173S169-S171 PolarHBondContact O-N 3.04Å; S169-S171 VanDerWaalsContact O-N 3.16Å; S169-C172 WeakPolarHBondContact O-CB 3.22Å; S169-C172 PolarHBondContact O-N 2.75Å; S169-C172 PolarHBondContact OG-N 2.64Å; S169-C172 VanDerWaalsContact OG-N 3.15Å; S169-C172 PolarHBondContact OG-SG 3.11Å; S169-Q173 PolarHBondContact O-N 2.92Å
170L94Very high95.7Very high140 Ų14054.5 Ų54.573%0.73331%0.312SS*.Hα-helixtrans-55.7-34176.3-67.5176.2000112.6S174L170-S174 VanDerWaalsContact O-CB 3.28Å; L170-S174 WeakPolarHBondContact O-CB 3.25Å; L170-S174 PolarHBondContact O-N 3.47Å
171S93.9Very high95.7Very high84 Ų8452.6 Ų52.659%0.58731%0.305SS*.Hα-helixtrans-66.2-45175.8176.70000111.5S169 Q173 S174 V175S169-S171 PolarHBondContact O-N 3.04Å; S169-S171 VanDerWaalsContact O-N 3.16Å; S171-Q173 VanDerWaalsContact C-N 3.35Å; S171-Q173 PolarHBondContact O-N 3Å; S171-S174 PolarHBondContact O-N 3.44Å; S171-V175 WeakPolarHBondContact O-CG2 3.33Å; S171-V175 PolarHBondContact O-N 3.2Å
172C94.8Very high95.8Very high35 Ų3552.2 Ų52.224%0.23630%0.301CS..Hα-helixtrans-60.7-45175.9-66.20000111.5L120 D168 S169 V175 R176L120-C172 HydrophobicContact CD1-CB 4.04Å; D168-C172 HydrophobicContact CB-CB 4.22Å; S169-C172 WeakPolarHBondContact O-CB 3.22Å; S169-C172 PolarHBondContact O-N 2.75Å; S169-C172 PolarHBondContact OG-N 2.64Å; S169-C172 VanDerWaalsContact OG-N 3.15Å; S169-C172 PolarHBondContact OG-SG 3.11Å; C172-V175 PolarHBondContact O-N 3.25Å; C172-R176 WeakPolarHBondContact O-CG 3.47Å; C172-R176 PolarHBondContact O-N 3.19Å
173Q95.9Very high95.9Very high48 Ų4849.6 Ų49.622%0.22428%0.278CS..Hα-helixtrans-60.7-47.4177.6-65.317722.100111.2W165 D168 S169 S171 V175 R176 L177W165-Q173 HydrophobicContact CB-CG 4.06Å; W165-Q173 PolarHBondContact O-NE2 2.84Å; D168-Q173 HydrophobicContact CB-CG 4.06Å; D168-Q173 PolarHBondContact O-NE2 3.34Å; S169-Q173 PolarHBondContact O-N 2.92Å; S171-Q173 VanDerWaalsContact C-N 3.35Å; S171-Q173 PolarHBondContact O-N 3Å; Q173-V175 PolarHBondContact O-N 3.38Å; Q173-R176 PolarHBondContact O-N 3.3Å; Q173-L177 WeakPolarHBondContact O-CG 3.46Å; Q173-L177 PolarHBondContact O-N 2.96Å
174S96.5Very high96Very high39 Ų3943.9 Ų43.927%0.27325%0.252SS..Hα-helixtrans-61.1-43.2-179.9176.70000112.7L170 S171 L177 S178L170-S174 VanDerWaalsContact O-CB 3.28Å; L170-S174 WeakPolarHBondContact O-CB 3.25Å; L170-S174 PolarHBondContact O-N 3.47Å; S171-S174 PolarHBondContact O-N 3.44Å; S174-L177 PolarHBondContact O-N 2.63Å; S174-S178 WeakPolarHBondContact O-CB 3.39Å; S174-S178 PolarHBondContact O-N 2.83Å; S174-S178 PolarHBondContact O-OG 2.85Å
175V96.6Very high96.1Very high13 Ų1338.5 Ų38.58%0.07923%0.231CC..Hα-helixtrans-67.2-38.6177.4179.60000111.2L116 L120 M121 S171 C172 Q173 S178 L179L116-V175 HydrophobicContact CD1-CG1 3.94Å; L116-V175 HydrophobicContact CD2-CG1 4.44Å; L120-V175 HydrophobicContact CD2-CG1 4.2Å; M121-V175 HydrophobicContact CE-CG1 3.58Å; S171-V175 WeakPolarHBondContact O-CG2 3.33Å; S171-V175 PolarHBondContact O-N 3.2Å; C172-V175 PolarHBondContact O-N 3.25Å; Q173-V175 PolarHBondContact O-N 3.38Å; V175-S178 WeakPolarHBondContact O-CB 3.35Å; V175-S178 PolarHBondContact O-N 3.35Å; V175-L179 PolarHBondContact O-N 3.42Å
176R97.3Very high96.2Very high18 Ų1838.8 Ų38.87%0.06823%0.234CC..Hα-helixtrans-63.9-43.3174.7-77.2-178.8-173149.93.1112.7L120 M121 A124 W165 D168 C172 Q173 S178 L179 I180L120-R176 WeakPolarHBondContact O-CG 3.3Å; L120-R176 PolarHBondContact O-NE 2.86Å; M121-R176 HydrophobicContact CE-CG 4.49Å; A124-R176 HydrophobicContact CB-CB 3.95Å; A124-R176 HydrophobicContact CB-CG 4.11Å; W165-R176 HydrophobicContact CE3-CB 4.19Å; W165-R176 HydrophobicContact CH2-CB 3.73Å; W165-R176 HydrophobicContact CH2-CG 4.49Å; W165-R176 HydrophobicContact CZ2-CB 4.34Å; W165-R176 HydrophobicContact CZ3-CB 3.63Å; D168-R176 VanDerWaalsContact CG-NH1 3.31Å; D168-R176 IonicContact OD1-NH1 3.15Å; D168-R176 IonicContact OD2-CZ 3.79Å; D168-R176 IonicContact OD2-NH1 2.73Å; D168-R176 PolarHBondContact OD2-NH1 3.16Å; D168-R176 IonicContact OD2-NH2 2.65Å; C172-R176 WeakPolarHBondContact O-CG 3.47Å; C172-R176 PolarHBondContact O-N 3.19Å; Q173-R176 PolarHBondContact O-N 3.3Å; R176-S178 VanDerWaalsContact C-N 3.28Å; R176-S178 PolarHBondContact O-N 3.29Å; R176-L179 WeakPolarHBondContact O-CB 3.49Å; R176-L179 PolarHBondContact O-N 2.86Å; R176-I180 PolarHBondContact O-N 2.92Å
177L97.9Very high96.4Very high39 Ų3931.3 Ų31.320%0.20420%0.199CC..Hα-helixtrans-64.2-36174.7-66.2170.5000111.7V157 A161 W165 Q173 S174 L179 I180 S181 S340 L342V157-L177 HydrophobicContact CG1-CD2 4.23Å; A161-L177 HydrophobicContact CB-CD2 4.32Å; W165-L177 HydrophobicContact CZ3-CD2 4.03Å; W165-L177 HydrophobicContact CZ3-CG 4.27Å; Q173-L177 WeakPolarHBondContact O-CG 3.46Å; Q173-L177 PolarHBondContact O-N 2.96Å; S174-L177 PolarHBondContact O-N 2.63Å; L177-L179 VanDerWaalsContact C-N 3.34Å; L177-I180 PolarHBondContact O-N 3.17Å; L177-I180 VanDerWaalsContact O-N 3.13Å; L177-S181 PolarHBondContact O-N 3.02Å; L177-S181 PolarHBondContact O-OG 2.67Å; L177-S340 VanDerWaalsContact CB-O 3.32Å; L177-S340 WeakPolarHBondContact CB-O 3.36Å; L177-L342 HydrophobicContact CB-CD2 4.28Å; L177-L342 HydrophobicContact CD2-CD2 3.87Å; L177-L342 HydrophobicContact CD2-CG 4.48Å
178S97.9Very high96.7Very high0 Ų027.7 Ų27.70%016%0.162CC..Hα-helixtrans-64.8-36.4173.5-58.20000112.5S174 V175 R176 I180 S181 T182 W336S174-S178 WeakPolarHBondContact O-CB 3.39Å; S174-S178 PolarHBondContact O-N 2.83Å; S174-S178 PolarHBondContact O-OG 2.85Å; V175-S178 WeakPolarHBondContact O-CB 3.35Å; V175-S178 PolarHBondContact O-N 3.35Å; R176-S178 VanDerWaalsContact C-N 3.28Å; R176-S178 PolarHBondContact O-N 3.29Å; S178-I180 VanDerWaalsContact C-N 3.35Å; S178-S181 WeakPolarHBondContact O-CB 3.42Å; S178-S181 PolarHBondContact O-N 2.97Å; S178-T182 PolarHBondContact O-N 2.93Å; S178-T182 PolarHBondContact O-OG1 2.74Å; S178-T182 VanDerWaalsContact O-OG1 3.14Å; S178-W336 VanDerWaalsContact CB-O 3.27Å; S178-W336 WeakPolarHBondContact CB-O 3.37Å; S178-W336 PolarHBondContact OG-O 2.93Å
179L97.5Very high96.8Very high0 Ų025.1 Ų25.10%015%0.149CC..Hα-helixtrans-64.2-41.5170.3174.261.1000110.7M121 A124 V125 V175 R176 L177 S181 T182 L183 V335M121-L179 HydrophobicContact CB-CD2 3.74Å; M121-L179 HydrophobicContact CG-CD2 4.13Å; M121-L179 HydrophobicContact SD-CB 4.06Å; M121-L179 HydrophobicContact SD-CD2 3.5Å; M121-L179 WeakPolarHBondContact SD-CD2 3.37Å; M121-L179 HydrophobicContact SD-CG 4.25Å; A124-L179 HydrophobicContact CB-CD2 3.97Å; A124-L179 HydrophobicContact CB-CG 4.44Å; V125-L179 HydrophobicContact CG2-CD2 3.98Å; V175-L179 PolarHBondContact O-N 3.42Å; R176-L179 WeakPolarHBondContact O-CB 3.49Å; R176-L179 PolarHBondContact O-N 2.86Å; L177-L179 VanDerWaalsContact C-N 3.34Å; L179-S181 VanDerWaalsContact C-N 3.29Å; L179-S181 PolarHBondContact O-N 2.69Å; L179-T182 CarbonylContact O-C 3.58Å; L179-T182 WeakPolarHBondContact O-CA 3.34Å; L179-T182 WeakPolarHBondContact O-CB 3.44Å; L179-T182 PolarHBondContact O-N 3.29Å; L179-L183 HydrophobicContact CD1-CG 4.4Å; L179-L183 HydrophobicContact CG-CD1 4.4Å; L179-L183 HydrophobicContact CG-CG 4.46Å; L179-L183 WeakPolarHBondContact O-CG 3.02Å; L179-L183 PolarHBondContact O-N 2.66Å; L179-V335 HydrophobicContact CB-CG1 4.48Å; L179-V335 HydrophobicContact CB-CG2 4.3Å; L179-V335 HydrophobicContact CD1-CG2 3.91Å
180I98.1Very high96.7Very high1 Ų125.8 Ų25.81%0.00515%0.15CC..Hα-helixtrans-61.1-38.9176-65.2179.6000111.4A124 L127 F128 V157 W165 R176 L177 S178 T182 L183 L184 L342A124-I180 HydrophobicContact CB-CD1 4.42Å; A124-I180 HydrophobicContact CB-CG1 4.1Å; L127-I180 HydrophobicContact CD2-CD1 4.31Å; F128-I180 HydrophobicContact CD2-CG2 3.74Å; F128-I180 HydrophobicContact CE2-CG2 4.17Å; V157-I180 HydrophobicContact CG1-CD1 3.45Å; V157-I180 VanDerWaalsContact CG1-CD1 3.45Å; V157-I180 HydrophobicContact CG1-CG2 4.28Å; V157-I180 HydrophobicContact CG2-CD1 4.25Å; V157-I180 HydrophobicContact CG2-CG2 4.37Å; W165-I180 HydrophobicContact CH2-CD1 3.93Å; R176-I180 PolarHBondContact O-N 2.92Å; L177-I180 PolarHBondContact O-N 3.17Å; L177-I180 VanDerWaalsContact O-N 3.13Å; S178-I180 VanDerWaalsContact C-N 3.35Å; I180-T182 PolarHBondContact O-N 3.11Å; I180-L183 CarbonylContact O-C 3.49Å; I180-L183 PolarHBondContact O-N 2.87Å; I180-L184 HydrophobicContact CG2-CG 4.43Å; I180-L184 WeakPolarHBondContact O-CG 3.36Å; I180-L184 PolarHBondContact O-N 3.39Å; I180-L342 HydrophobicContact CB-CD2 3.74Å; I180-L342 HydrophobicContact CG2-CD2 3.57Å
181S98.2Very high96.8Very high0 Ų020.2 Ų20.20%012%0.121CC..Hα-helixtrans-56.2-38.6169.9-62.20000112.6L177 S178 L179 L184 K185 E339 L342 V343L177-S181 PolarHBondContact O-N 3.02Å; L177-S181 PolarHBondContact O-OG 2.67Å; S178-S181 WeakPolarHBondContact O-CB 3.42Å; S178-S181 PolarHBondContact O-N 2.97Å; L179-S181 VanDerWaalsContact C-N 3.29Å; L179-S181 PolarHBondContact O-N 2.69Å; S181-L184 PolarHBondContact O-N 2.84Å; S181-K185 WeakPolarHBondContact O-CG 3.45Å; S181-K185 PolarHBondContact O-N 3.21Å; S181-E339 WeakPolarHBondContact CB-O 3.38Å; S181-E339 PolarHBondContact OG-O 2.85Å; S181-L342 WeakPolarHBondContact OG-CA 3.31Å; S181-L342 PolarHBondContact OG-N 2.89Å; S181-V343 WeakPolarHBondContact CB-O 3.36Å; S181-V343 PolarHBondContact OG-N 3.23Å
182T97.5Very high96.8Very high0 Ų016.2 Ų16.20%09%0.093CC..Hα-helixtrans-65.4-41.4174.2-51.60000111.4S178 L179 I180 K185 V186 Y333 L334 F358S178-T182 PolarHBondContact O-N 2.93Å; S178-T182 PolarHBondContact O-OG1 2.74Å; S178-T182 VanDerWaalsContact O-OG1 3.14Å; L179-T182 CarbonylContact O-C 3.58Å; L179-T182 WeakPolarHBondContact O-CA 3.34Å; L179-T182 WeakPolarHBondContact O-CB 3.44Å; L179-T182 PolarHBondContact O-N 3.29Å; I180-T182 PolarHBondContact O-N 3.11Å; T182-K185 WeakPolarHBondContact O-CB 3.24Å; T182-K185 PolarHBondContact O-N 2.99Å; T182-V186 PolarHBondContact O-N 2.98Å; T182-Y333 HydrophobicContact CG2-CD1 4.24Å; T182-L334 PolarHBondContact OG1-O 3.03Å; T182-F358 HydrophobicContact CG2-CB 3.94Å; T182-F358 WeakPolarHBondContact CG2-O 3.42Å
183L97.3Very high96.9Very high12 Ų1214.5 Ų14.56%0.0638%0.081CC..Hα-helixtrans-68.8-34.2177.4-62.2176000112.7F128 L179 I180 K185 V186 E187 Y333F128-L183 HydrophobicContact CB-CD1 3.65Å; F128-L183 HydrophobicContact CD1-CB 3.74Å; F128-L183 HydrophobicContact CD1-CD1 3.86Å; F128-L183 HydrophobicContact CD1-CG 4.34Å; F128-L183 HydrophobicContact CD2-CB 4.07Å; F128-L183 HydrophobicContact CD2-CD1 4.44Å; F128-L183 HydrophobicContact CE1-CB 3.69Å; F128-L183 HydrophobicContact CE2-CB 3.99Å; F128-L183 HydrophobicContact CG-CB 3.91Å; F128-L183 HydrophobicContact CG-CD1 3.72Å; F128-L183 HydrophobicContact CG-CG 4.47Å; F128-L183 HydrophobicContact CZ-CB 3.81Å; L179-L183 HydrophobicContact CD1-CG 4.4Å; L179-L183 HydrophobicContact CG-CD1 4.4Å; L179-L183 HydrophobicContact CG-CG 4.46Å; L179-L183 WeakPolarHBondContact O-CG 3.02Å; L179-L183 PolarHBondContact O-N 2.66Å; I180-L183 CarbonylContact O-C 3.49Å; I180-L183 PolarHBondContact O-N 2.87Å; L183-K185 PolarHBondContact O-N 3.01Å; L183-V186 HydrophobicContact CD2-CG2 4.43Å; L183-V186 WeakPolarHBondContact O-CA 3.37Å; L183-V186 VanDerWaalsContact O-CB 3.28Å; L183-V186 WeakPolarHBondContact O-CB 3.43Å; L183-V186 PolarHBondContact O-N 3.12Å; L183-V186 VanDerWaalsContact O-N 3.11Å; L183-E187 PolarHBondContact O-N 3.07Å; L183-Y333 HydrophobicContact CD2-CE1 4.43Å
184L98Very high96.8Very high2 Ų213.8 Ų13.81%0.018%0.078CC..Hα-helixtrans-60.9-35.9170.6-65.8168.5000111.6F128 I153 R154 I180 S181 E187 C188 L196 L342 D344F128-L184 HydrophobicContact CE2-CD2 3.78Å; F128-L184 HydrophobicContact CE2-CG 4.1Å; F128-L184 HydrophobicContact CZ-CD2 4.33Å; I153-L184 HydrophobicContact CB-CD2 4.27Å; I153-L184 HydrophobicContact CD1-CD2 4.27Å; I153-L184 HydrophobicContact CG2-CD2 3.72Å; R154-L184 HydrophobicContact CG-CD1 4.41Å; I180-L184 HydrophobicContact CG2-CG 4.43Å; I180-L184 WeakPolarHBondContact O-CG 3.36Å; I180-L184 PolarHBondContact O-N 3.39Å; S181-L184 PolarHBondContact O-N 2.84Å; L184-E187 PolarHBondContact O-N 2.83Å; L184-C188 PolarHBondContact O-N 3.18Å; L184-C188 PolarHBondContact O-SG 3.19Å; L184-L196 HydrophobicContact CB-CD1 4.42Å; L184-L196 HydrophobicContact CD2-CD1 3.62Å; L184-L342 HydrophobicContact CD1-CB 4.13Å; L184-L342 WeakPolarHBondContact CD1-O 3.27Å; L184-D344 HydrophobicContact CB-CB 3.83Å
185K97.9Very high96.8Very high1 Ų112.3 Ų12.30%0.0047%0.067CC..Hα-helixtrans-71.5-32.2174.5-63.7166.5-178.3-179.70112.4S181 T182 L183 E187 C188 C189 E339 K355 K356 F358S181-K185 WeakPolarHBondContact O-CG 3.45Å; S181-K185 PolarHBondContact O-N 3.21Å; T182-K185 WeakPolarHBondContact O-CB 3.24Å; T182-K185 PolarHBondContact O-N 2.99Å; L183-K185 PolarHBondContact O-N 3.01Å; K185-E187 VanDerWaalsContact C-N 3.35Å; K185-C188 WeakPolarHBondContact O-CB 3.34Å; K185-C188 PolarHBondContact O-N 2.76Å; K185-C189 PolarHBondContact O-N 3.16Å; K185-C189 PolarHBondContact O-SG 2.56Å; K185-E339 IonicContact NZ-OE1 2.91Å; K185-E339 PolarHBondContact NZ-OE1 3.05Å; K185-E339 IonicContact NZ-OE2 3.48Å; K185-E339 PolarHBondContact NZ-OE2 2.98Å; K185-K355 WeakPolarHBondContact CE-O 3.48Å; K185-K355 PolarHBondContact NZ-O 2.98Å; K185-K356 HydrophobicContact CG-CD 4.26Å; K185-F358 HydrophobicContact CB-CB 3.93Å
186V96.6Very high96.9Very high18 Ų1811.7 Ų11.711%0.1096%0.064CC..Hα-helixtrans-58.3-50.5167.9176.30000109.3T182 L183 C188 C189 V190 Y333 F358T182-V186 PolarHBondContact O-N 2.98Å; L183-V186 HydrophobicContact CD2-CG2 4.43Å; L183-V186 WeakPolarHBondContact O-CA 3.37Å; L183-V186 VanDerWaalsContact O-CB 3.28Å; L183-V186 WeakPolarHBondContact O-CB 3.43Å; L183-V186 PolarHBondContact O-N 3.12Å; L183-V186 VanDerWaalsContact O-N 3.11Å; V186-C188 VanDerWaalsContact C-N 3.3Å; V186-C188 PolarHBondContact O-N 2.89Å; V186-C189 CarbonylContact O-C 3.59Å; V186-C189 WeakPolarHBondContact O-CA 3.41Å; V186-C189 VanDerWaalsContact O-CB 3.31Å; V186-C189 WeakPolarHBondContact O-CB 3.38Å; V186-C189 PolarHBondContact O-N 3.5Å; V186-V190 HydrophobicContact CG1-CG2 4.25Å; V186-V190 WeakPolarHBondContact O-CG2 3.33Å; V186-V190 PolarHBondContact O-N 3.2Å; V186-Y333 HydrophobicContact CG2-CD1 4.46Å; V186-Y333 HydrophobicContact CG2-CE1 3.84Å; V186-F358 HydrophobicContact CB-CD1 4.39Å; V186-F358 HydrophobicContact CB-CE1 4.48Å; V186-F358 HydrophobicContact CB-CG 4.47Å; V186-F358 HydrophobicContact CG2-CB 4.05Å; V186-F358 HydrophobicContact CG2-CD1 3.93Å; V186-F358 HydrophobicContact CG2-CD2 3.47Å; V186-F358 VanDerWaalsContact CG2-CD2 3.47Å; V186-F358 HydrophobicContact CG2-CE1 4.18Å; V186-F358 HydrophobicContact CG2-CE2 3.81Å; V186-F358 HydrophobicContact CG2-CG 3.56Å; V186-F358 HydrophobicContact CG2-CZ 4.15Å
187E96.5Very high96.9Very high7 Ų713.4 Ų13.43%0.0337%0.074CC..Hα-helixtrans-64.7-32.9-179.7-72.4-49.6123.900113.3H101 F128 L132 L183 L184 K185 C189 V190 N191 L196H101-E187 IonicContact CE1-OE1 2.78Å; H101-E187 PolarHBondContact CE1-OE1 3.06Å; H101-E187 VanDerWaalsContact CE1-OE1 3.22Å; F128-E187 HydrophobicContact CE1-CG 3.76Å; F128-E187 HydrophobicContact CZ-CG 3.62Å; L132-E187 HydrophobicContact CD1-CG 4.07Å; L132-E187 HydrophobicContact CD2-CG 4.22Å; L183-E187 PolarHBondContact O-N 3.07Å; L184-E187 PolarHBondContact O-N 2.83Å; K185-E187 VanDerWaalsContact C-N 3.35Å; E187-C189 VanDerWaalsContact C-N 3.26Å; E187-C189 PolarHBondContact O-N 3.44Å; E187-V190 PolarHBondContact O-N 2.58Å; E187-N191 WeakPolarHBondContact O-CB 3.42Å; E187-N191 PolarHBondContact O-N 3.15Å; E187-N191 PolarHBondContact O-ND2 3.17Å; E187-N191 PolarHBondContact OE2-ND2 3.36Å; E187-L196 HydrophobicContact CB-CD1 3.75Å; E187-L196 HydrophobicContact CB-CD2 3.88Å; E187-L196 HydrophobicContact CB-CG 4.37Å
188C97.7Very high96.7Very high0 Ų013.6 Ų13.60%08%0.077CC..Hα-helixtrans-58.6-39.9168.6-70.20000111.6L184 K185 V186 G192 T193 K356 A378L184-C188 PolarHBondContact O-N 3.18Å; L184-C188 PolarHBondContact O-SG 3.19Å; K185-C188 WeakPolarHBondContact O-CB 3.34Å; K185-C188 PolarHBondContact O-N 2.76Å; V186-C188 VanDerWaalsContact C-N 3.3Å; V186-C188 PolarHBondContact O-N 2.89Å; C188-G192 CarbonylContact O-C 3.58Å; C188-G192 VanDerWaalsContact O-CA 3.29Å; C188-G192 WeakPolarHBondContact O-CA 3.33Å; C188-G192 PolarHBondContact O-N 3.45Å; C188-T193 WeakPolarHBondContact CB-O 3.47Å; C188-T193 PolarHBondContact O-N 3.27Å; C188-K356 PolarHBondContact SG-NZ 3.44Å; C188-A378 HydrophobicContact CB-CB 4.44Å; C188-A378 WeakPolarHBondContact O-CB 3.5Å
189C96.5Very high96.6Very high6 Ų613.6 Ų13.64%0.0418%0.077CC..Hα-helixtrans-72.1-42.7177.4-62.70000112.3K185 V186 E187 N191 G192 N313 F358 W376 A378 Y430K185-C189 PolarHBondContact O-N 3.16Å; K185-C189 PolarHBondContact O-SG 2.56Å; V186-C189 CarbonylContact O-C 3.59Å; V186-C189 WeakPolarHBondContact O-CA 3.41Å; V186-C189 VanDerWaalsContact O-CB 3.31Å; V186-C189 WeakPolarHBondContact O-CB 3.38Å; V186-C189 PolarHBondContact O-N 3.5Å; E187-C189 VanDerWaalsContact C-N 3.26Å; E187-C189 PolarHBondContact O-N 3.44Å; C189-N191 VanDerWaalsContact C-N 3.32Å; C189-N191 PolarHBondContact O-N 2.93Å; C189-G192 PolarHBondContact O-N 3.17Å; C189-N313 PolarHBondContact O-ND2 3.5Å; C189-N313 VanDerWaalsContact O-ND2 3.17Å; C189-F358 HydrophobicContact CB-CD1 4.4Å; C189-F358 HydrophobicContact CB-CE1 3.93Å; C189-W376 HydrophobicContact CB-CB 4.36Å; C189-A378 HydrophobicContact CB-CB 4.44Å; C189-Y430 PolarHBondContact O-OH 3.3Å
190V94.4Very high96.5Very high78 Ų7813.6 Ų13.647%0.4738%0.077SC..Hα-helixtrans-57.3-48.5176.1173.50000110.1V186 E187V186-V190 HydrophobicContact CG1-CG2 4.25Å; V186-V190 WeakPolarHBondContact O-CG2 3.33Å; V186-V190 PolarHBondContact O-N 3.2Å; E187-V190 PolarHBondContact O-N 2.58Å
191N95.3Very high96.2Very high23 Ų2313.6 Ų13.612%0.1238%0.077CC..Hα-helixtrans-82.8-12.7-179-68.5-84.8000113.4E187 C189 T193 L199 Y432E187-N191 WeakPolarHBondContact O-CB 3.42Å; E187-N191 PolarHBondContact O-N 3.15Å; E187-N191 PolarHBondContact O-ND2 3.17Å; E187-N191 PolarHBondContact OE2-ND2 3.36Å; C189-N191 VanDerWaalsContact C-N 3.32Å; C189-N191 PolarHBondContact O-N 2.93Å; N191-T193 VanDerWaalsContact C-N 3.3Å; N191-T193 HydrophobicContact CB-CG2 4.09Å; N191-T193 PolarHBondContact O-N 3.26Å; N191-L199 HydrophobicContact CB-CD1 4.46Å; N191-L199 HydrophobicContact CB-CD2 4.29Å; N191-Y432 VanDerWaalsContact O-CB 3.25Å; N191-Y432 WeakPolarHBondContact O-CB 3.29Å
192G95Very high95.7Very high0 Ų014.4 Ų14.40%09%0.086CC..THydrogen-bonded Turntrans64.732.3-176.500000113.4C188 C189 G311 T312C188-G192 CarbonylContact O-C 3.58Å; C188-G192 VanDerWaalsContact O-CA 3.29Å; C188-G192 WeakPolarHBondContact O-CA 3.33Å; C188-G192 PolarHBondContact O-N 3.45Å; C189-G192 PolarHBondContact O-N 3.17Å; G192-G311 CarbonylContact O-C 3.57Å; G192-G311 WeakPolarHBondContact O-CA 3.44Å; G192-T312 PolarHBondContact O-N 3.09Å
193T96Very high95.4Very high0 Ų014.6 Ų14.60%09%0.087CC..  trans-110.4158-179.6-173.90000112.1C188 N191 T195 L196 T198C188-T193 WeakPolarHBondContact CB-O 3.47Å; C188-T193 PolarHBondContact O-N 3.27Å; N191-T193 VanDerWaalsContact C-N 3.3Å; N191-T193 HydrophobicContact CB-CG2 4.09Å; N191-T193 PolarHBondContact O-N 3.26Å; T193-T195 WeakPolarHBondContact CG2-O 3.41Å; T193-T195 PolarHBondContact OG1-O 3.48Å; T193-L196 HydrophobicContact CG2-CD2 4.08Å; T193-T198 PolarHBondContact OG1-OG1 2.86Å
194H94.6Very high95.1Very high33 Ų3315.5 Ų15.515%0.1539%0.09CC..SBendtrans-73.3-33.3173.5174.960.2000112.8K356 G379 H380 E381H194-K356 PolarHBondContact O-NZ 3.42Å; H194-G379 VanDerWaalsContact CA-CA 3.47Å; H194-H380 AromaticContact CD2-CD2 3.29Å; H194-H380 PolarHBondContact CD2-CD2 3.03Å; H194-H380 AromaticContact CD2-NE2 3.84Å; H194-H380 AromaticContact CE1-CD2 3.71Å; H194-H380 AromaticContact CG-CD2 3.44Å; H194-H380 VanDerWaalsContact CG-CD2 3.44Å; H194-H380 AromaticContact CG-CG 3.95Å; H194-H380 AromaticContact ND1-CD2 3.71Å; H194-H380 AromaticContact ND1-CG 3.91Å; H194-H380 PolarHBondContact ND1-N 2.86Å; H194-H380 AromaticContact NE2-CD2 3.47Å; H194-H380 PolarHBondContact NE2-CD2 3.26Å; H194-E381 IonicContact CE1-OE1 3.01Å; H194-E381 PolarHBondContact CE1-OE1 3.46Å; H194-E381 VanDerWaalsContact CE1-OE1 3.29Å; H194-E381 IonicContact CE1-OE2 3.72Å; H194-E381 PolarHBondContact CE1-OE2 3.09Å; H194-E381 VanDerWaalsContact CE1-OE2 3.22Å; H194-E381 IonicContact ND1-OE1 3.51Å; H194-E381 IonicContact ND1-OE2 3.09Å; H194-E381 PolarHBondContact ND1-OE2 3.14Å
195T96.9Very high94.7Very high7 Ų715.7 Ų15.74%0.0439%0.093CC..  trans-152.4144.5179.3169.10000109.7T193 D197 T198 D344 Q345T193-T195 WeakPolarHBondContact CG2-O 3.41Å; T193-T195 PolarHBondContact OG1-O 3.48Å; T195-D197 HydrophobicContact CG2-CB 4.11Å; T195-D197 PolarHBondContact O-N 3.44Å; T195-D197 WeakPolarHBondContact OG1-CB 3.32Å; T195-D197 PolarHBondContact OG1-N 2.89Å; T195-T198 HydrophobicContact CG2-CG2 3.65Å; T195-T198 PolarHBondContact O-N 3.39Å; T195-T198 VanDerWaalsContact O-N 3.15Å; T195-T198 PolarHBondContact O-OG1 3.35Å; T195-D344 WeakPolarHBondContact CA-OD2 3.16Å; T195-D344 PolarHBondContact OG1-OD1 2.99Å; T195-D344 PolarHBondContact OG1-OD2 2.74Å; T195-Q345 HydrophobicContact CG2-CG 4.37Å; T195-Q345 PolarHBondContact OG1-NE2 3.24Å
196L97.6Very high94.4Very high1 Ų116.9 Ų16.91%0.00510%0.099CC..G310 helixtrans-66.9-14.5173.3-57.3-173.2000112.1G150 I153 L184 E187 T193 T198 L199 D344G150-L196 PolarHBondContact N-O 3.45Å; I153-L196 HydrophobicContact CD1-CD1 3.89Å; L184-L196 HydrophobicContact CB-CD1 4.42Å; L184-L196 HydrophobicContact CD2-CD1 3.62Å; E187-L196 HydrophobicContact CB-CD1 3.75Å; E187-L196 HydrophobicContact CB-CD2 3.88Å; E187-L196 HydrophobicContact CB-CG 4.37Å; T193-L196 HydrophobicContact CG2-CD2 4.08Å; L196-T198 PolarHBondContact O-N 3.33Å; L196-L199 HydrophobicContact CD2-CD2 4.22Å; L196-L199 WeakPolarHBondContact O-CB 3.46Å; L196-L199 PolarHBondContact O-N 2.98Å; L196-L199 VanDerWaalsContact O-N 3.07Å; L196-D344 PolarHBondContact N-OD2 3.07Å
197D96.6Very high94.3Very high53 Ų5319.7 Ų19.728%0.28311%0.108SC..G310 helixtrans-66.2-16.7173.1-64.6-17.3000112.8S148 R154 T195 Q345S148-D197 WeakPolarHBondContact CB-O 3.33Å; S148-D197 WeakPolarHBondContact OG-CA 3.31Å; R154-D197 IonicContact CZ-OD1 2.82Å; R154-D197 IonicContact NE-OD1 3.7Å; R154-D197 IonicContact NH2-OD1 3.73Å; R154-D197 PolarHBondContact NH2-OD1 2.9Å; R154-D197 IonicContact NH2-OD2 3.99Å; T195-D197 HydrophobicContact CG2-CB 4.11Å; T195-D197 PolarHBondContact O-N 3.44Å; T195-D197 WeakPolarHBondContact OG1-CB 3.32Å; T195-D197 PolarHBondContact OG1-N 2.89Å; D197-Q345 PolarHBondContact OD2-NE2 2.66Å
198T95.3Very high94.1Very high44 Ų4423.4 Ų23.427%0.2712%0.124SC..G310 helixtrans-96.7-2.2174.762.40000113T193 T195 L196 A434 T435T193-T198 PolarHBondContact OG1-OG1 2.86Å; T195-T198 HydrophobicContact CG2-CG2 3.65Å; T195-T198 PolarHBondContact O-N 3.39Å; T195-T198 VanDerWaalsContact O-N 3.15Å; T195-T198 PolarHBondContact O-OG1 3.35Å; L196-T198 PolarHBondContact O-N 3.33Å; T198-A434 CarbonylContact O-C 3.48Å; T198-A434 WeakPolarHBondContact O-CA 3.48Å; T198-T435 PolarHBondContact O-N 2.82Å
199L95.2Very high93.8Very high0 Ų026.8 Ų26.80%015%0.145CC..BIsolated β-bridgetrans-92.8122.8-178.5-167.366.9000109.6S148 V149 N191 L196 F204 Y432 T433S148-L199 CarbonylContact C-O 3.5Å; S148-L199 VanDerWaalsContact CA-O 3.25Å; S148-L199 WeakPolarHBondContact CA-O 3.44Å; S148-L199 WeakPolarHBondContact CB-O 3.26Å; V149-L199 HydrophobicContact CB-CB 4.12Å; V149-L199 HydrophobicContact CB-CD2 4Å; V149-L199 HydrophobicContact CB-CG 4.26Å; V149-L199 HydrophobicContact CG1-CD2 4.22Å; V149-L199 HydrophobicContact CG2-CB 4.09Å; V149-L199 HydrophobicContact CG2-CD2 3.84Å; V149-L199 HydrophobicContact CG2-CG 3.83Å; V149-L199 PolarHBondContact N-O 3.18Å; N191-L199 HydrophobicContact CB-CD1 4.46Å; N191-L199 HydrophobicContact CB-CD2 4.29Å; L196-L199 HydrophobicContact CD2-CD2 4.22Å; L196-L199 WeakPolarHBondContact O-CB 3.46Å; L196-L199 PolarHBondContact O-N 2.98Å; L196-L199 VanDerWaalsContact O-N 3.07Å; L199-F204 HydrophobicContact CD2-CD2 3.52Å; L199-F204 HydrophobicContact CD2-CE2 3.67Å; L199-F204 HydrophobicContact CG-CD2 4.11Å; L199-Y432 HydrophobicContact CD1-CD2 3.88Å; L199-T433 WeakPolarHBondContact CD1-O 3.45Å
200G94.3Very high93.7Very high0 Ų028 Ų280%015%0.151CC..  trans-74.1125.7-178.800000111.5A203 F204 T433G200-A203 PolarHBondContact O-N 3.43Å; G200-F204 PolarHBondContact O-N 3.11Å; G200-T433 PolarHBondContact N-O 2.95Å
201L92Very high93.6Very high0 Ų027 Ų270%015%0.146CC..Hα-helixtrans-65.7-42.5-174-176.360.9000112.4F138 E144 P145 Y146 V149 F152 A203 F204F138-L201 HydrophobicContact CB-CG 4.03Å; F138-L201 HydrophobicContact CD1-CD2 4.47Å; F138-L201 HydrophobicContact CD2-CD1 3.64Å; F138-L201 HydrophobicContact CD2-CD2 3.79Å; F138-L201 HydrophobicContact CD2-CG 3.67Å; F138-L201 HydrophobicContact CE2-CD1 4.23Å; F138-L201 HydrophobicContact CE2-CD2 4.02Å; F138-L201 HydrophobicContact CE2-CG 4.35Å; F138-L201 HydrophobicContact CG-CD1 4.32Å; F138-L201 HydrophobicContact CG-CD2 4.02Å; F138-L201 HydrophobicContact CG-CG 3.88Å; F138-L201 HydrophobicContact CZ-CD2 4.48Å; E144-L201 HydrophobicContact CG-CB 4.47Å; P145-L201 HydrophobicContact CG-CD2 4.21Å; Y146-L201 HydrophobicContact CD2-CD2 4.03Å; V149-L201 HydrophobicContact CG2-CB 4.45Å; V149-L201 HydrophobicContact CG2-CD1 4.02Å; F152-L201 HydrophobicContact CB-CD1 4.27Å; F152-L201 HydrophobicContact CB-CD2 4.18Å; F152-L201 HydrophobicContact CD1-CD1 4.04Å; F152-L201 HydrophobicContact CG-CD1 4.23Å; F152-L201 HydrophobicContact CG-CD2 4.39Å; L201-A203 VanDerWaalsContact C-N 3.29Å; L201-A203 PolarHBondContact O-N 3.34Å; L201-F204 WeakPolarHBondContact O-CB 3.5Å; L201-F204 PolarHBondContact O-N 3.18Å
202G88.6Confident93.4Very high18 Ų1826 Ų2619%0.18614%0.141CC..Hα-helixtrans-69.7-29.4-179.800000112.4S139 E144S139-G202 WeakPolarHBondContact CA-O 3.21Å; S139-G202 VanDerWaalsContact CB-O 3.26Å; S139-G202 WeakPolarHBondContact CB-O 3.48Å; E144-G202 WeakPolarHBondContact OE1-CA 3.35Å; E144-G202 PolarHBondContact OE1-N 3.04Å
203A90.6Very high93.2Very high3 Ų328.5 Ų28.53%0.02515%0.154CC..Hα-helixtrans-87.7-14.5177.400000113.6G200 L201 G205 L206 T433 T437G200-A203 PolarHBondContact O-N 3.43Å; L201-A203 VanDerWaalsContact C-N 3.29Å; L201-A203 PolarHBondContact O-N 3.34Å; A203-G205 VanDerWaalsContact C-N 3.35Å; A203-G205 PolarHBondContact O-N 3.27Å; A203-L206 HydrophobicContact CB-CD1 3.9Å; A203-L206 HydrophobicContact CB-CG 4.49Å; A203-L206 VanDerWaalsContact O-CB 3.23Å; A203-L206 WeakPolarHBondContact O-CB 3.31Å; A203-L206 VanDerWaalsContact O-CG 3.28Å; A203-L206 WeakPolarHBondContact O-CG 3.49Å; A203-L206 PolarHBondContact O-N 2.85Å; A203-L206 VanDerWaalsContact O-N 3.09Å; A203-T433 HydrophobicContact CB-CG2 3.94Å; A203-T437 WeakPolarHBondContact CB-O 3.49Å
204F91.2Very high93Very high32 Ų3229.7 Ų29.714%0.1416%0.16CC..Hα-helixtrans-57.4-45.9-178.2-174.6-124.9000112.1L132 V149 L199 G200 L201 L206L132-F204 HydrophobicContact CD1-CE1 3.99Å; L132-F204 HydrophobicContact CD1-CZ 3.73Å; L132-F204 HydrophobicContact CG-CZ 4.49Å; V149-F204 HydrophobicContact CG1-CE1 4.49Å; V149-F204 HydrophobicContact CG2-CB 3.76Å; V149-F204 HydrophobicContact CG2-CD1 4.1Å; V149-F204 HydrophobicContact CG2-CD2 4.02Å; V149-F204 HydrophobicContact CG2-CG 3.7Å; L199-F204 HydrophobicContact CD2-CD2 3.52Å; L199-F204 HydrophobicContact CD2-CE2 3.67Å; L199-F204 HydrophobicContact CG-CD2 4.11Å; G200-F204 PolarHBondContact O-N 3.11Å; L201-F204 WeakPolarHBondContact O-CB 3.5Å; L201-F204 PolarHBondContact O-N 3.18Å; F204-L206 PolarHBondContact O-N 3.05Å; F204-L206 VanDerWaalsContact O-N 3.14Å
205G89.7Confident92.9Very high6 Ų628.4 Ų28.46%0.06216%0.155CC..THydrogen-bonded Turntrans-72.20.5177.800000116.5G136 S139 A203 Y207 K208G136-G205 VanDerWaalsContact O-CA 3.23Å; G136-G205 WeakPolarHBondContact O-CA 3.34Å; S139-G205 PolarHBondContact OG-O 3.47Å; A203-G205 VanDerWaalsContact C-N 3.35Å; A203-G205 PolarHBondContact O-N 3.27Å; G205-Y207 VanDerWaalsContact C-N 3.3Å; G205-K208 WeakPolarHBondContact O-CE 3.15Å; G205-K208 PolarHBondContact O-NZ 3.42Å
206L92.9Very high92.6Very high26 Ų2630 Ų3014%0.13616%0.164CC..THydrogen-bonded Turntrans-68.6-31.9175.5-66.6176.8000111.8A203 F204 K208 L439 I442 S469 F471A203-L206 HydrophobicContact CB-CD1 3.9Å; A203-L206 HydrophobicContact CB-CG 4.49Å; A203-L206 VanDerWaalsContact O-CB 3.23Å; A203-L206 WeakPolarHBondContact O-CB 3.31Å; A203-L206 VanDerWaalsContact O-CG 3.28Å; A203-L206 WeakPolarHBondContact O-CG 3.49Å; A203-L206 PolarHBondContact O-N 2.85Å; A203-L206 VanDerWaalsContact O-N 3.09Å; F204-L206 PolarHBondContact O-N 3.05Å; F204-L206 VanDerWaalsContact O-N 3.14Å; L206-K208 PolarHBondContact O-N 3.34Å; L206-L439 HydrophobicContact CD1-CB 4.27Å; L206-L439 HydrophobicContact CD2-CB 4.25Å; L206-I442 HydrophobicContact CD1-CD1 4.4Å; L206-S469 VanDerWaalsContact O-CA 3.23Å; L206-S469 WeakPolarHBondContact O-CA 3.4Å; L206-S469 WeakPolarHBondContact O-CB 3.36Å; L206-S469 PolarHBondContact O-OG 3.3Å; L206-F471 HydrophobicContact CB-CE1 3.96Å; L206-F471 HydrophobicContact CB-CZ 4.35Å
207Y93.5Very high92.4Very high76 Ų7630 Ų3030%0.29817%0.165SC..  trans-64.2131.5173.8-175.1-94.6000109.6G205 T209 S469 F471 T473G205-Y207 VanDerWaalsContact C-N 3.3Å; Y207-T209 HydrophobicContact CD1-CG2 4.41Å; Y207-T209 HydrophobicContact CE1-CG2 3.98Å; Y207-S469 WeakPolarHBondContact CA-O 3.42Å; Y207-F471 HydrophobicContact CD2-CD2 4.42Å; Y207-F471 HydrophobicContact CD2-CE2 4.1Å; Y207-F471 HydrophobicContact CD2-CZ 4.38Å; Y207-T473 HydrophobicContact CE2-CG2 3.75Å
208K92.6Very high92.1Very high85 Ų8528.1 Ų28.137%0.3716%0.155SC..  trans-117.1136.5177.2-59.9-58.2179.7-1630109.8G205 L206 S469 F470G205-K208 WeakPolarHBondContact O-CE 3.15Å; G205-K208 PolarHBondContact O-NZ 3.42Å; L206-K208 PolarHBondContact O-N 3.34Å; K208-S469 PolarHBondContact N-O 3.18Å; K208-F470 HydrophobicContact CB-CE1 4.01Å; K208-F470 WeakPolarHBondContact O-CD1 3.39Å; K208-F470 VanDerWaalsContact O-CE1 3.27Å; K208-F470 WeakPolarHBondContact O-CE1 3.38Å
209T91.9Very high91.9Very high72 Ų7233.7 Ų33.744%0.44217%0.171SC..  trans-85.7151.6174.7530000110.6Y207Y207-T209 HydrophobicContact CD1-CG2 4.41Å; Y207-T209 HydrophobicContact CE1-CG2 3.98Å
210L93.5Very high91.9Very high31 Ų3133.9 Ų33.916%0.16217%0.173CC..  trans-106.1151.4171.3-65.7177000109G67 A71 N72 F470G67-L210 WeakPolarHBondContact CA-O 3.25Å; A71-L210 HydrophobicContact CB-CD2 3.92Å; N72-L210 HydrophobicContact CB-CD1 3.71Å; L210-F470 HydrophobicContact CD1-CE1 4.47Å; L210-F470 HydrophobicContact CD1-CZ 4.45Å; L210-F470 HydrophobicContact CD2-CE1 4.07Å; L210-F470 HydrophobicContact CD2-CZ 3.83Å; L210-F470 HydrophobicContact CG-CE1 4.09Å; L210-F470 HydrophobicContact CG-CZ 4.26Å
211P92Very high92.1Very high58 Ų5834 Ų3438%0.37717%0.173SC..SBendtrans-71.3157177.231.9-35.2000110.7G67 S69 Q94G67-P211 CarbonylContact C-O 3.55Å; G67-P211 WeakPolarHBondContact CA-O 3.35Å; S69-P211 WeakPolarHBondContact CB-O 3.16Å; S69-P211 PolarHBondContact OG-O 2.99Å; S69-P211 VanDerWaalsContact OG-O 3.11Å; Q94-P211 CarbonylContact O-C 3.56Å
212G91Very high92.3Very high0 Ų036.5 Ų36.50%019%0.185CC..SBendtrans114.8143.5-177.300000112.2N93 Q94 L96 I98 D214N93-G212 VanDerWaalsContact O-CA 3.27Å; N93-G212 WeakPolarHBondContact O-CA 3.48Å; Q94-G212 PolarHBondContact O-N 3.01Å; L96-G212 PolarHBondContact O-N 3.13Å; I98-G212 WeakPolarHBondContact CD1-O 3.38Å; I98-G212 WeakPolarHBondContact CG1-O 3.48Å; G212-D214 PolarHBondContact O-N 3.45Å
213L91.2Very high92.7Very high54 Ų5436.3 Ų36.328%0.28318%0.183SC..  trans-76.1121.2169.5173.367.4000109.8P68 N93 L96 I98 P102 C215P68-L213 WeakPolarHBondContact CD-O 3.25Å; P68-L213 WeakPolarHBondContact CG-O 3.27Å; N93-L213 PolarHBondContact O-N 3.01Å; N93-L213 PolarHBondContact OD1-N 3.15Å; N93-L213 PolarHBondContact OD1-O 3.36Å; L96-L213 HydrophobicContact CD1-CB 3.81Å; I98-L213 HydrophobicContact CD1-CD1 4.22Å; I98-L213 HydrophobicContact CG2-CB 4.46Å; I98-L213 HydrophobicContact CG2-CD1 4.18Å; P102-L213 HydrophobicContact CB-CD1 4.23Å; L213-C215 PolarHBondContact O-N 3.22Å
214D92.3Very high93.1Very high25 Ų2536.2 Ų36.213%0.13418%0.182CC..  trans-42.9131.9-178.2-74.78.4000113.4I65 H66 G67 P102 G212I65-D214 WeakPolarHBondContact O-CA 3.41Å; H66-D214 VanDerWaalsContact CA-OD1 3.24Å; H66-D214 WeakPolarHBondContact CA-OD1 3.32Å; H66-D214 IonicContact CE1-OD2 2.83Å; H66-D214 IonicContact CG-OD2 3.79Å; H66-D214 IonicContact ND1-OD1 3.86Å; H66-D214 IonicContact ND1-OD2 3.93Å; H66-D214 PolarHBondContact ND1-OD2 2.69Å; G67-D214 PolarHBondContact N-OD1 2.94Å; P102-D214 HydrophobicContact CG-CB 4.45Å; G212-D214 PolarHBondContact O-N 3.45Å
215C91.4Very high93.5Very high6 Ų634.8 Ų34.84%0.04118%0.176CC..BIsolated β-bridgetrans-121.5164.4179.769.40000112.4W64 I65 P68 S88 L213W64-C215 CarbonylContact C-O 3.43Å; W64-C215 WeakPolarHBondContact CA-O 3.46Å; I65-C215 PolarHBondContact N-O 3.01Å; I65-C215 PolarHBondContact O-N 2.5Å; P68-C215 HydrophobicContact CG-CB 4.33Å; S88-C215 WeakPolarHBondContact OG-CB 3.28Å; L213-C215 PolarHBondContact O-N 3.22Å
216T91.8Very high93.9Very high39 Ų3938.9 Ų38.924%0.23920%0.197CC..  trans-118.5177.7-179.765.20000111.2P218T216-P218 WeakPolarHBondContact O-CD 3.38Å
217F92.9Very high94.1Very high2 Ų239.6 Ų39.61%0.00920%0.201CC..  trans-103.2108.2177.5-67.6-101.5000109.7I65 V74 S78 L83 L84 R219 G220 Y221 L224I65-F217 HydrophobicContact CD1-CE1 4.34Å; I65-F217 HydrophobicContact CD1-CE2 3.8Å; I65-F217 HydrophobicContact CD1-CZ 3.52Å; I65-F217 HydrophobicContact CG1-CE2 3.46Å; I65-F217 VanDerWaalsContact CG1-CE2 3.46Å; I65-F217 HydrophobicContact CG1-CZ 3.67Å; V74-F217 HydrophobicContact CG1-CZ 4.3Å; S78-F217 VanDerWaalsContact OG-CE1 3.25Å; S78-F217 WeakPolarHBondContact OG-CE1 3.03Å; S78-F217 WeakPolarHBondContact OG-CZ 3.24Å; L83-F217 HydrophobicContact CB-CD1 4.15Å; L83-F217 HydrophobicContact CB-CE1 4.39Å; L83-F217 HydrophobicContact CD1-CE1 4.48Å; L84-F217 HydrophobicContact CD2-CE1 4.38Å; F217-R219 PolarHBondContact O-N 3.15Å; F217-G220 PolarHBondContact O-N 2.78Å; F217-Y221 HydrophobicContact CD1-CD2 4.39Å; F217-Y221 AromaticContact CD2-CD1 3.6Å; F217-Y221 HydrophobicContact CD2-CD1 3.6Å; F217-Y221 AromaticContact CD2-CD2 3.73Å; F217-Y221 HydrophobicContact CD2-CD2 3.73Å; F217-Y221 AromaticContact CD2-CE1 3.98Å; F217-Y221 HydrophobicContact CD2-CE1 3.98Å; F217-Y221 HydrophobicContact CD2-CE2 4.09Å; F217-Y221 AromaticContact CD2-CG 3.45Å; F217-Y221 HydrophobicContact CD2-CG 3.45Å; F217-Y221 VanDerWaalsContact CD2-CG 3.45Å; F217-Y221 AromaticContact CE1-CD2 3.97Å; F217-Y221 HydrophobicContact CE1-CD2 3.97Å; F217-Y221 HydrophobicContact CE1-CE2 4.15Å; F217-Y221 AromaticContact CE2-CD1 3.52Å; F217-Y221 HydrophobicContact CE2-CD1 3.52Å; F217-Y221 AromaticContact CE2-CD2 3.27Å; F217-Y221 HydrophobicContact CE2-CD2 3.27Å; F217-Y221 AromaticContact CE2-CE1 3.44Å; F217-Y221 HydrophobicContact CE2-CE1 3.44Å; F217-Y221 VanDerWaalsContact CE2-CE1 3.44Å; F217-Y221 AromaticContact CE2-CE2 3.18Å; F217-Y221 HydrophobicContact CE2-CE2 3.18Å; F217-Y221 AromaticContact CE2-CG 3.43Å; F217-Y221 HydrophobicContact CE2-CG 3.43Å; F217-Y221 VanDerWaalsContact CE2-CG 3.43Å; F217-Y221 AromaticContact CE2-CZ 3.25Å; F217-Y221 HydrophobicContact CG-CD2 4.28Å; F217-Y221 HydrophobicContact CG-CG 4.12Å; F217-Y221 HydrophobicContact CZ-CD1 4.45Å; F217-Y221 AromaticContact CZ-CD2 3.38Å; F217-Y221 HydrophobicContact CZ-CD2 3.38Å; F217-Y221 HydrophobicContact CZ-CE1 4.31Å; F217-Y221 AromaticContact CZ-CE2 3.19Å; F217-Y221 HydrophobicContact CZ-CE2 3.19Å; F217-Y221 HydrophobicContact CZ-CG 4.03Å; F217-Y221 AromaticContact CZ-CZ 3.69Å; F217-L224 HydrophobicContact CE1-CB 4.1Å; F217-L224 HydrophobicContact CZ-CD2 4.5Å
218P90.1Very high94.4Very high13 Ų1336.1 Ų36.18%0.08419%0.187CC..THydrogen-bonded Turntrans-53.5-27.3-176.9-32.341000115.3L83 D85 T216 R368L83-P218 WeakPolarHBondContact O-CD 3.39Å; D85-P218 HydrophobicContact CB-CG 4.29Å; D85-P218 WeakPolarHBondContact OD1-CG 3.31Å; D85-P218 VanDerWaalsContact OD2-CG 3.31Å; D85-P218 WeakPolarHBondContact OD2-CG 3.38Å; T216-P218 WeakPolarHBondContact O-CD 3.38Å; P218-R368 VanDerWaalsContact CB-CZ 3.47Å; P218-R368 VanDerWaalsContact CB-NH1 3.33Å
219R91.8Very high94.6Very high162 Ų16233.9 Ų33.961%0.61118%0.179SC*.THydrogen-bonded Turntrans-11715.8-176.7-59.8-171.7-62.7-85.3-0.2112.8S82 F217S82-R219 PolarHBondContact O-NH2 3.41Å; F217-R219 PolarHBondContact O-N 3.15Å
220G95.3Very high94.9Very high3 Ų338.1 Ų38.13%0.03119%0.191CC..  trans95.4140.4-176.800000113.9E59 F217 E222 G223E59-G220 WeakPolarHBondContact OE1-CA 3.34Å; F217-G220 PolarHBondContact O-N 2.78Å; G220-E222 PolarHBondContact O-N 3.42Å; G220-G223 PolarHBondContact O-N 3.21Å
221Y97.3Very high95.1Very high2 Ų239.9 Ų39.91%0.00820%0.198CC..THydrogen-bonded Turntrans-64.5-29.2179.7-148.8143.4000111.1I48 T50 E59 A62 W64 V74 F217 G223 L224 V474I48-Y221 HydrophobicContact CG2-CD2 3.95Å; I48-Y221 HydrophobicContact CG2-CG 3.92Å; T50-Y221 PolarHBondContact OG1-N 2.84Å; E59-Y221 WeakPolarHBondContact OE1-CB 3.32Å; E59-Y221 PolarHBondContact OE1-N 3.14Å; A62-Y221 HydrophobicContact CB-CD1 3.84Å; A62-Y221 HydrophobicContact CB-CE1 3.69Å; A62-Y221 VanDerWaalsContact O-CD1 3.27Å; A62-Y221 WeakPolarHBondContact O-CD1 3.37Å; W64-Y221 WeakPolarHBondContact O-CE1 3.49Å; W64-Y221 PolarHBondContact O-OH 3.47Å; V74-Y221 HydrophobicContact CG1-CE2 4.16Å; F217-Y221 HydrophobicContact CD1-CD2 4.39Å; F217-Y221 AromaticContact CD2-CD1 3.6Å; F217-Y221 HydrophobicContact CD2-CD1 3.6Å; F217-Y221 AromaticContact CD2-CD2 3.73Å; F217-Y221 HydrophobicContact CD2-CD2 3.73Å; F217-Y221 AromaticContact CD2-CE1 3.98Å; F217-Y221 HydrophobicContact CD2-CE1 3.98Å; F217-Y221 HydrophobicContact CD2-CE2 4.09Å; F217-Y221 AromaticContact CD2-CG 3.45Å; F217-Y221 HydrophobicContact CD2-CG 3.45Å; F217-Y221 VanDerWaalsContact CD2-CG 3.45Å; F217-Y221 AromaticContact CE1-CD2 3.97Å; F217-Y221 HydrophobicContact CE1-CD2 3.97Å; F217-Y221 HydrophobicContact CE1-CE2 4.15Å; F217-Y221 AromaticContact CE2-CD1 3.52Å; F217-Y221 HydrophobicContact CE2-CD1 3.52Å; F217-Y221 AromaticContact CE2-CD2 3.27Å; F217-Y221 HydrophobicContact CE2-CD2 3.27Å; F217-Y221 AromaticContact CE2-CE1 3.44Å; F217-Y221 HydrophobicContact CE2-CE1 3.44Å; F217-Y221 VanDerWaalsContact CE2-CE1 3.44Å; F217-Y221 AromaticContact CE2-CE2 3.18Å; F217-Y221 HydrophobicContact CE2-CE2 3.18Å; F217-Y221 AromaticContact CE2-CG 3.43Å; F217-Y221 HydrophobicContact CE2-CG 3.43Å; F217-Y221 VanDerWaalsContact CE2-CG 3.43Å; F217-Y221 AromaticContact CE2-CZ 3.25Å; F217-Y221 HydrophobicContact CG-CD2 4.28Å; F217-Y221 HydrophobicContact CG-CG 4.12Å; F217-Y221 HydrophobicContact CZ-CD1 4.45Å; F217-Y221 AromaticContact CZ-CD2 3.38Å; F217-Y221 HydrophobicContact CZ-CD2 3.38Å; F217-Y221 HydrophobicContact CZ-CE1 4.31Å; F217-Y221 AromaticContact CZ-CE2 3.19Å; F217-Y221 HydrophobicContact CZ-CE2 3.19Å; F217-Y221 HydrophobicContact CZ-CG 4.03Å; F217-Y221 AromaticContact CZ-CZ 3.69Å; Y221-G223 PolarHBondContact O-N 2.96Å; Y221-L224 HydrophobicContact CD2-CB 4.44Å; Y221-L224 HydrophobicContact CD2-CD2 4.4Å; Y221-L224 HydrophobicContact CE2-CD2 3.92Å; Y221-L224 WeakPolarHBondContact O-CB 3.31Å; Y221-L224 PolarHBondContact O-N 3.32Å; Y221-V474 HydrophobicContact CE1-CG2 4.27Å; Y221-V474 HydrophobicContact CE2-CG1 4.04Å; Y221-V474 WeakPolarHBondContact OH-CB 3.25Å
222E97.3Very high95.4Very high53 Ų5337.8 Ų37.825%0.24818%0.184CC..Hα-helixtrans-57.5-21.5172.4-76.9-175.2161.100113.2R43 I48 T50 G220 L224 I225 D226R43-E222 IonicContact NH1-OE1 2.81Å; I48-E222 HydrophobicContact CG2-CG 4.37Å; T50-E222 PolarHBondContact N-OE1 3Å; T50-E222 PolarHBondContact OG1-N 3.2Å; G220-E222 PolarHBondContact O-N 3.42Å; E222-L224 PolarHBondContact O-N 3.26Å; E222-I225 WeakPolarHBondContact O-CA 3.28Å; E222-I225 WeakPolarHBondContact O-CB 3.5Å; E222-I225 PolarHBondContact O-N 2.89Å; E222-D226 PolarHBondContact O-N 3.39Å
223G97.6Very high95.7Very high15 Ų1541.2 Ų41.216%0.15521%0.206CC..Hα-helixtrans-57.1-31.6171.500000113.8G220 Y221 N227G220-G223 PolarHBondContact O-N 3.21Å; Y221-G223 PolarHBondContact O-N 2.96Å; G223-N227 PolarHBondContact O-N 3.16Å; G223-N227 PolarHBondContact O-ND2 3.42Å
224L98.4Very high95.9Very high0 Ų043.8 Ų43.80%024%0.235CC..Hα-helixtrans-67.7-44.7172.9174.962.7000111I18 V74 L77 Y81 L83 F217 Y221 E222 N227 L228I18-L224 HydrophobicContact CD1-CD2 3.89Å; V74-L224 HydrophobicContact CG1-CD2 3.75Å; L77-L224 HydrophobicContact CB-CD1 4.01Å; Y81-L224 HydrophobicContact CD2-CD1 3.91Å; Y81-L224 HydrophobicContact CE2-CD1 3.93Å; L83-L224 HydrophobicContact CD1-CB 4.09Å; F217-L224 HydrophobicContact CE1-CB 4.1Å; F217-L224 HydrophobicContact CZ-CD2 4.5Å; Y221-L224 HydrophobicContact CD2-CB 4.44Å; Y221-L224 HydrophobicContact CD2-CD2 4.4Å; Y221-L224 HydrophobicContact CE2-CD2 3.92Å; Y221-L224 WeakPolarHBondContact O-CB 3.31Å; Y221-L224 PolarHBondContact O-N 3.32Å; E222-L224 PolarHBondContact O-N 3.26Å; L224-N227 PolarHBondContact O-N 3.03Å; L224-L228 HydrophobicContact CD1-CD1 3.97Å; L224-L228 HydrophobicContact CD1-CG 4.18Å; L224-L228 HydrophobicContact CG-CD1 3.92Å; L224-L228 VanDerWaalsContact O-CG 3.31Å; L224-L228 WeakPolarHBondContact O-CG 3.19Å; L224-L228 PolarHBondContact O-N 3.31Å
225I98.4Very high96Very high3 Ų346.1 Ų46.12%0.01527%0.265CS..Hα-helixtrans-61.9-46.2178.9-60.7-56000110I18 I21 I48 E222 N227 L228 M229I18-I225 HydrophobicContact CB-CD1 4.22Å; I18-I225 HydrophobicContact CG1-CD1 4.32Å; I21-I225 HydrophobicContact CD1-CD1 4.13Å; I21-I225 HydrophobicContact CD1-CG2 3.92Å; I48-I225 HydrophobicContact CB-CG1 4.36Å; I48-I225 HydrophobicContact CD1-CD1 3.77Å; I48-I225 HydrophobicContact CD1-CG1 4.23Å; I48-I225 HydrophobicContact CG2-CG1 4.06Å; E222-I225 WeakPolarHBondContact O-CA 3.28Å; E222-I225 WeakPolarHBondContact O-CB 3.5Å; E222-I225 PolarHBondContact O-N 2.89Å; I225-N227 VanDerWaalsContact C-N 3.32Å; I225-N227 PolarHBondContact O-N 2.98Å; I225-L228 PolarHBondContact O-N 3.3Å; I225-M229 HydrophobicContact CG2-CG 4.15Å; I225-M229 WeakPolarHBondContact O-CB 3.32Å; I225-M229 VanDerWaalsContact O-CG 3.24Å; I225-M229 WeakPolarHBondContact O-CG 3.22Å; I225-M229 PolarHBondContact O-N 2.81Å
226D98.2Very high96.3Very high91 Ų9146.4 Ų46.449%0.48727%0.266SS..Hα-helixtrans-58.3-42178.6-71.1-17.1000112.5E222 K230E222-D226 PolarHBondContact O-N 3.39Å; D226-K230 VanDerWaalsContact O-CG 3.27Å; D226-K230 WeakPolarHBondContact O-CG 3.38Å; D226-K230 PolarHBondContact O-N 3.34Å; D226-K230 VanDerWaalsContact O-N 3.15Å
227N98.5Very high96.6Very high42 Ų4245.6 Ų45.623%0.22526%0.261CS..Hα-helixtrans-70.4-42.9178.7-79.7-75.1000112.3Y81 G223 L224 I225 M229 K230 E231Y81-N227 HydrophobicContact CD1-CB 3.84Å; Y81-N227 HydrophobicContact CD2-CB 3.6Å; Y81-N227 HydrophobicContact CE1-CB 4.05Å; Y81-N227 HydrophobicContact CE2-CB 3.82Å; Y81-N227 HydrophobicContact CG-CB 3.62Å; G223-N227 PolarHBondContact O-N 3.16Å; G223-N227 PolarHBondContact O-ND2 3.42Å; L224-N227 PolarHBondContact O-N 3.03Å; I225-N227 VanDerWaalsContact C-N 3.32Å; I225-N227 PolarHBondContact O-N 2.98Å; N227-M229 VanDerWaalsContact C-N 3.31Å; N227-M229 PolarHBondContact O-N 3.46Å; N227-K230 PolarHBondContact O-N 2.88Å; N227-E231 PolarHBondContact O-N 3.4Å
228L98.4Very high96.9Very high3 Ų347 Ų472%0.01627%0.271CS..Hα-helixtrans-62.5-39.9175.7-70.2170.7000111.8I18 I21 L25 L77 Y81 L224 I225 K230 E231I18-L228 HydrophobicContact CG1-CD1 4.37Å; I21-L228 HydrophobicContact CG2-CB 3.67Å; I21-L228 HydrophobicContact CG2-CD1 4.3Å; L25-L228 HydrophobicContact CD1-CB 3.87Å; L25-L228 HydrophobicContact CD1-CD2 3.4Å; L25-L228 VanDerWaalsContact CD1-CD2 3.4Å; L25-L228 HydrophobicContact CD1-CG 4.19Å; L77-L228 HydrophobicContact CD1-CD2 4.17Å; L77-L228 HydrophobicContact CD2-CD2 4.48Å; Y81-L228 HydrophobicContact CE2-CD2 4.02Å; Y81-L228 HydrophobicContact CE2-CG 4.17Å; Y81-L228 WeakPolarHBondContact OH-CD2 3.39Å; L224-L228 HydrophobicContact CD1-CD1 3.97Å; L224-L228 HydrophobicContact CD1-CG 4.18Å; L224-L228 HydrophobicContact CG-CD1 3.92Å; L224-L228 VanDerWaalsContact O-CG 3.31Å; L224-L228 WeakPolarHBondContact O-CG 3.19Å; L224-L228 PolarHBondContact O-N 3.31Å; I225-L228 PolarHBondContact O-N 3.3Å; L228-K230 VanDerWaalsContact C-N 3.34Å; L228-K230 PolarHBondContact O-N 3.1Å; L228-E231 PolarHBondContact O-N 2.64Å
229M98.4Very high97.3Very high38 Ų3850.3 Ų50.319%0.18728%0.282CS..Hα-helixtrans-65.4-34.6177.2-74.6-54.6-58.600112.7I21 I225 N227 E231 L232 V237I21-M229 HydrophobicContact CD1-CG 4.23Å; I21-M229 HydrophobicContact CD1-SD 3.72Å; I21-M229 HydrophobicContact CG1-SD 3.78Å; I21-M229 HydrophobicContact CG2-SD 4.35Å; I225-M229 HydrophobicContact CG2-CG 4.15Å; I225-M229 WeakPolarHBondContact O-CB 3.32Å; I225-M229 VanDerWaalsContact O-CG 3.24Å; I225-M229 WeakPolarHBondContact O-CG 3.22Å; I225-M229 PolarHBondContact O-N 2.81Å; N227-M229 VanDerWaalsContact C-N 3.31Å; N227-M229 PolarHBondContact O-N 3.46Å; M229-E231 PolarHBondContact O-N 2.83Å; M229-L232 HydrophobicContact CE-CD1 4.18Å; M229-L232 PolarHBondContact O-N 2.94Å; M229-L232 VanDerWaalsContact O-N 3.15Å; M229-L232 HydrophobicContact SD-CD1 3.83Å; M229-V237 HydrophobicContact CE-CG2 3.44Å; M229-V237 VanDerWaalsContact CE-CG2 3.44Å
230K97.9Very high97.6Very high160 Ų16049 Ų4970%0.69628%0.283SS*.Hα-helixtrans-65.8-24.8175.7-74.7167-171.5169.70113.6D226 N227 L228 L232D226-K230 VanDerWaalsContact O-CG 3.27Å; D226-K230 WeakPolarHBondContact O-CG 3.38Å; D226-K230 PolarHBondContact O-N 3.34Å; D226-K230 VanDerWaalsContact O-N 3.15Å; N227-K230 PolarHBondContact O-N 2.88Å; L228-K230 VanDerWaalsContact C-N 3.34Å; L228-K230 PolarHBondContact O-N 3.1Å; K230-L232 VanDerWaalsContact C-N 3.32Å
231E97.7Very high97.7Very high68 Ų6852 Ų5232%0.31829%0.293SS..THydrogen-bonded Turntrans-79.5-15.4175.3-73.7-171-143.500113.2L25 K29 Y81 N227 L228 M229L25-E231 HydrophobicContact CD2-CB 3.5Å; K29-E231 WeakPolarHBondContact CE-OE2 3.46Å; K29-E231 IonicContact NZ-OE2 3.21Å; K29-E231 PolarHBondContact NZ-OE2 2.67Å; Y81-E231 VanDerWaalsContact CE1-OE1 3.29Å; Y81-E231 WeakPolarHBondContact CE1-OE1 3.39Å; Y81-E231 VanDerWaalsContact CZ-OE1 3.29Å; Y81-E231 PolarHBondContact OH-OE1 2.96Å; N227-E231 PolarHBondContact O-N 3.4Å; L228-E231 PolarHBondContact O-N 2.64Å; M229-E231 PolarHBondContact O-N 2.83Å
232L97.9Very high97.8Very high14 Ų1452.8 Ų52.87%0.07330%0.299CS..SBendtrans-83.3149.8179.2-72.1174.8000112.1I21 A24 L25 I37 M229 K230 A234 I236I21-L232 HydrophobicContact CG2-CD1 4.28Å; A24-L232 HydrophobicContact CB-CD1 4.3Å; A24-L232 HydrophobicContact CB-CD2 3.86Å; L25-L232 HydrophobicContact CB-CD2 4.31Å; L25-L232 HydrophobicContact CD2-CD2 3.58Å; L25-L232 HydrophobicContact CD2-CG 3.75Å; L25-L232 HydrophobicContact CG-CD2 3.67Å; L25-L232 HydrophobicContact CG-CG 3.94Å; I37-L232 HydrophobicContact CD1-CD1 4.29Å; M229-L232 HydrophobicContact CE-CD1 4.18Å; M229-L232 PolarHBondContact O-N 2.94Å; M229-L232 VanDerWaalsContact O-N 3.15Å; M229-L232 HydrophobicContact SD-CD1 3.83Å; K230-L232 VanDerWaalsContact C-N 3.32Å; L232-A234 PolarHBondContact O-N 3.18Å; L232-I236 HydrophobicContact CB-CG2 3.97Å; L232-I236 HydrophobicContact CD1-CG2 4.14Å; L232-I236 HydrophobicContact CD2-CD1 4.11Å
233P96.8Very high97.8Very high73 Ų7350.7 Ų50.747%0.47429%0.289SS..PPolyproline II helixtrans-55.3139.3171.5-24.433.4000112.5T28 G235 I236T28-P233 HydrophobicContact CG2-CG 4.17Å; P233-G235 PolarHBondContact O-N 3.2Å; P233-I236 WeakPolarHBondContact O-CB 3.36Å; P233-I236 WeakPolarHBondContact O-CG2 3.29Å; P233-I236 PolarHBondContact O-N 3.25Å
234A94.9Very high97.8Very high108 Ų10851.9 Ų51.989%0.89330%0.295SS*.THydrogen-bonded Turntrans-58.3138.1175.500000111.3L232 I236L232-A234 PolarHBondContact O-N 3.18Å; A234-I236 VanDerWaalsContact C-N 3.28Å; A234-I236 PolarHBondContact O-N 3.36Å
235G95.1Very high97.8Very high73 Ų7352.6 Ų52.675%0.75330%0.3SS*.THydrogen-bonded Turntrans76.47.8179.700000115.2P233 V237P233-G235 PolarHBondContact O-N 3.2Å; G235-V237 PolarHBondContact O-N 3.32Å
236I97.9Very high97.8Very high13 Ų1352.4 Ų52.47%0.06730%0.299CS..  trans-64.1-27.3175.6-160.8171.1000112.6A24 T28 V35 R36 I37 L232 P233 A234A24-I236 HydrophobicContact CB-CD1 4.3Å; T28-I236 HydrophobicContact CG2-CD1 3.95Å; V35-I236 HydrophobicContact CB-CD1 4.14Å; V35-I236 HydrophobicContact CG1-CD1 4.11Å; V35-I236 VanDerWaalsContact O-CG1 3.31Å; V35-I236 WeakPolarHBondContact O-CG1 3.49Å; R36-I236 CarbonylContact C-O 3.54Å; R36-I236 WeakPolarHBondContact CA-O 3.31Å; I37-I236 PolarHBondContact N-O 3.4Å; L232-I236 HydrophobicContact CB-CG2 3.97Å; L232-I236 HydrophobicContact CD1-CG2 4.14Å; L232-I236 HydrophobicContact CD2-CD1 4.11Å; P233-I236 WeakPolarHBondContact O-CB 3.36Å; P233-I236 WeakPolarHBondContact O-CG2 3.29Å; P233-I236 PolarHBondContact O-N 3.25Å; A234-I236 VanDerWaalsContact C-N 3.28Å; A234-I236 PolarHBondContact O-N 3.36Å
237V98.6Very high97.8Very high21 Ų2148.9 Ų48.913%0.12728%0.28CS..EExtended strand (participates in β ladder)trans-102133.9-177.9-167.10000111C16 I37 E39 M229 G235 Y239C16-V237 HydrophobicContact CB-CG1 4.3Å; I37-V237 HydrophobicContact CB-CB 4.48Å; I37-V237 HydrophobicContact CB-CG1 4.27Å; I37-V237 HydrophobicContact CB-CG2 4.15Å; I37-V237 HydrophobicContact CD1-CG2 4.14Å; I37-V237 HydrophobicContact CG2-CG1 4.37Å; I37-V237 CarbonylContact O-C 3.6Å; I37-V237 WeakPolarHBondContact O-CA 3.4Å; E39-V237 HydrophobicContact CB-CG1 4.08Å; M229-V237 HydrophobicContact CE-CG2 3.44Å; M229-V237 VanDerWaalsContact CE-CG2 3.44Å; G235-V237 PolarHBondContact O-N 3.32Å; V237-Y239 HydrophobicContact CB-CE2 4.01Å; V237-Y239 HydrophobicContact CG1-CD1 4.02Å; V237-Y239 HydrophobicContact CG1-CD2 4.18Å; V237-Y239 HydrophobicContact CG1-CE1 3.72Å; V237-Y239 HydrophobicContact CG1-CE2 3.9Å; V237-Y239 HydrophobicContact CG1-CG 4.24Å
238S98.4Very high97.7Very high31 Ų3147.4 Ų47.422%0.21727%0.271CS..EExtended strand (participates in β ladder)trans-107.9103.5166.2-57.10000108.8I37 E39 R241I37-S238 PolarHBondContact O-N 3.48Å; E39-S238 PolarHBondContact N-O 2.95Å; S238-R241 WeakPolarHBondContact O-CB 3.47Å
239Y98.6Very high97.3Very high83 Ų8352.1 Ų52.133%0.32529%0.293SS..SBendtrans-77.7163.7174.9-63.4-74.9000111.7E39 T41 S44 V237 R241E39-Y239 HydrophobicContact CB-CD1 3.91Å; E39-Y239 HydrophobicContact CB-CE1 4.35Å; E39-Y239 HydrophobicContact CG-CD1 3.71Å; E39-Y239 HydrophobicContact CG-CE1 4.08Å; E39-Y239 CarbonylContact O-C 3.56Å; T41-Y239 WeakPolarHBondContact O-CB 3.26Å; S44-Y239 PolarHBondContact OG-OH 3.26Å; V237-Y239 HydrophobicContact CB-CE2 4.01Å; V237-Y239 HydrophobicContact CG1-CD1 4.02Å; V237-Y239 HydrophobicContact CG1-CD2 4.18Å; V237-Y239 HydrophobicContact CG1-CE1 3.72Å; V237-Y239 HydrophobicContact CG1-CE2 3.9Å; V237-Y239 HydrophobicContact CG1-CG 4.24Å; Y239-R241 PolarHBondContact O-N 3.04Å
240H98Very high96.5Very high134 Ų13456.9 Ų56.962%0.6231%0.309SS*.SBendtrans51.939.9-175.9-55.9-72.6000112E39 A40 T41 G42 P242E39-H240 PolarHBondContact O-N 2.89Å; A40-H240 WeakPolarHBondContact O-CA 3.49Å; T41-H240 PolarHBondContact O-N 3.42Å; G42-H240 WeakPolarHBondContact CA-CE1 3.16Å; G42-H240 VanDerWaalsContact CA-NE2 3.32Å; G42-H240 WeakPolarHBondContact CA-NE2 3.33Å; G42-H240 PolarHBondContact N-CE1 2.91Å; H240-P242 WeakPolarHBondContact O-CD 3.31Å
241R98.1Very high96Very high67 Ų6753.6 Ų53.625%0.25330%0.302SS..  trans-123.965.8-175.2-157.662.351.2164.9-11.3110.7L38 E39 S238 Y239 V243 C265 D267 E269L38-R241 HydrophobicContact CB-CB 4.48Å; L38-R241 HydrophobicContact CB-CG 4.46Å; L38-R241 HydrophobicContact CD2-CG 4.09Å; E39-R241 PolarHBondContact O-N 3.47Å; S238-R241 WeakPolarHBondContact O-CB 3.47Å; Y239-R241 PolarHBondContact O-N 3.04Å; R241-V243 PolarHBondContact O-N 2.72Å; R241-C265 HydrophobicContact CG-CB 4.5Å; R241-D267 IonicContact CZ-OD2 2.86Å; R241-D267 IonicContact NH1-OD2 3.94Å; R241-D267 PolarHBondContact NH1-OD2 2.97Å; R241-E269 IonicContact CZ-OE2 3.12Å; R241-E269 IonicContact NE-OE2 2.56Å; R241-E269 IonicContact NH1-OE2 2.89Å; R241-E269 PolarHBondContact NH1-OE2 2.86Å
242P98.1Very high95.5Very high19 Ų1952.7 Ų52.712%0.12330%0.301CS..  trans-64.7128177.628.1-34.6000110.5A40 H240 C265 E266 W425A40-P242 HydrophobicContact CB-CB 4.01Å; H240-P242 WeakPolarHBondContact O-CD 3.31Å; P242-C265 CarbonylContact O-C 3.54Å; P242-C265 VanDerWaalsContact O-CA 3.25Å; P242-C265 WeakPolarHBondContact O-CA 3.49Å; P242-E266 HydrophobicContact CB-CG 3.92Å; P242-E266 HydrophobicContact CG-CB 3.9Å; P242-E266 VanDerWaalsContact CG-CD 3.43Å; P242-E266 HydrophobicContact CG-CG 3.7Å; P242-E266 WeakPolarHBondContact CG-OE2 3.44Å; P242-E266 PolarHBondContact O-N 3.47Å; P242-W425 HydrophobicContact CB-CH2 3.44Å; P242-W425 VanDerWaalsContact CB-CH2 3.44Å; P242-W425 HydrophobicContact CB-CZ2 4.34Å; P242-W425 HydrophobicContact CB-CZ3 3.75Å; P242-W425 HydrophobicContact CG-CH2 4.21Å
243V98.5Very high95.1Very high8 Ų861.2 Ų61.25%0.04833%0.332CS..EExtended strand (participates in β ladder)trans-87.4119.9176.5176.90000108.4V14 L38 R241 V246 L263 E264V14-V243 HydrophobicContact CG1-CB 4.11Å; V14-V243 HydrophobicContact CG1-CG2 3.95Å; V14-V243 HydrophobicContact CG2-CG2 4.07Å; L38-V243 HydrophobicContact CB-CG2 4.08Å; L38-V243 HydrophobicContact CD1-CG2 3.64Å; R241-V243 PolarHBondContact O-N 2.72Å; V243-V246 HydrophobicContact CG1-CG2 4.13Å; V243-L263 HydrophobicContact CG1-CB 4.44Å; V243-L263 HydrophobicContact CG1-CD2 4.27Å; V243-L263 HydrophobicContact CG2-CD2 4.23Å; V243-E264 CarbonylContact C-O 3.55Å
244S97.6Very high94.6Very high40 Ų4063.6 Ų63.628%0.2834%0.335SS..EExtended strand (participates in β ladder)trans-88.6-33.9179.560.20000112.2E264S244-E264 PolarHBondContact N-O 3.36Å; S244-E264 PolarHBondContact OG-O 3.17Å; S244-E264 VanDerWaalsContact OG-O 3.05Å
245C98.5Very high94Very high15 Ų1562.7 Ų62.710%0.10134%0.337CS..EExtended strand (participates in β ladder)trans-154141.1179.1-165.50000113E264 T291 L292C245-E264 HydrophobicContact CB-CB 4.34Å; C245-E264 PolarHBondContact N-O 3.29Å; C245-E264 PolarHBondContact O-N 2.86Å; C245-T291 PolarHBondContact SG-O 3.1Å; C245-L292 CarbonylContact C-O 3.56Å
246V98.5Very high93.5Very high0 Ų063.4 Ų63.40%034%0.344CS..EExtended strand (participates in β ladder)trans-105107.3167.41770000108.5V243 W248 V261 L263 V276 L278 L292 S294 V459V243-V246 HydrophobicContact CG1-CG2 4.13Å; V246-W248 PolarHBondContact O-N 2.84Å; V246-V261 HydrophobicContact CG1-CG1 3.91Å; V246-L263 HydrophobicContact CG2-CD2 4.35Å; V246-L263 HydrophobicContact CG2-CG 4.3Å; V246-V276 HydrophobicContact CG1-CG1 3.8Å; V246-L278 HydrophobicContact CG2-CD2 4.03Å; V246-L292 PolarHBondContact N-O 3.43Å; V246-S294 PolarHBondContact O-N 3.31Å; V246-V459 HydrophobicContact CG1-CG2 4.25Å
247H97.6Very high93Very high17 Ų1765.8 Ų65.88%0.07935%0.352CS..EExtended strand (participates in β ladder)trans-84.9108.6173.3-57-90.8000108.9V261 V262 E264 S294H247-V261 CarbonylContact O-C 3.6Å; H247-V261 VanDerWaalsContact O-CA 3.3Å; H247-V261 WeakPolarHBondContact O-CA 3.28Å; H247-V262 HydrophobicContact CB-CB 4.34Å; H247-V262 WeakPolarHBondContact CB-O 3.29Å; H247-V262 PolarHBondContact CD2-O 3.2Å; H247-V262 PolarHBondContact N-O 3.21Å; H247-V262 PolarHBondContact O-N 3.22Å; H247-E264 IonicContact CD2-OE2 3.77Å; H247-E264 IonicContact CE1-OE2 3.75Å; H247-E264 IonicContact NE2-OE2 2.8Å; H247-E264 PolarHBondContact NE2-OE2 3.33Å; H247-S294 CarbonylContact C-O 3.58Å; H247-S294 VanDerWaalsContact CA-O 3.25Å; H247-S294 WeakPolarHBondContact CA-O 3.32Å
248W95.5Very high92.7Very high11 Ų1169.3 Ų69.34%0.04237%0.367CS..  trans-116.4167.9176.368.6-69.9000110V246 R250 V261 S294 P295 L449 P450 V459V246-W248 PolarHBondContact O-N 2.84Å; W248-R250 PolarHBondContact O-N 2.68Å; W248-V261 HydrophobicContact CB-CG2 4.42Å; W248-S294 VanDerWaalsContact CD1-O 3.23Å; W248-S294 PolarHBondContact N-O 3.47Å; W248-P295 HydrophobicContact CD2-CG 4.4Å; W248-P295 HydrophobicContact CH2-CG 4.49Å; W248-P295 HydrophobicContact CZ2-CG 3.8Å; W248-P295 PolarHBondContact NE1-O 2.93Å; W248-P295 WeakPolarHBondContact O-CD 3.37Å; W248-L449 HydrophobicContact CE3-CB 4.03Å; W248-L449 HydrophobicContact CH2-CB 4.04Å; W248-L449 HydrophobicContact CH2-CD1 4.15Å; W248-L449 HydrophobicContact CH2-CD2 4.4Å; W248-L449 HydrophobicContact CH2-CG 4.43Å; W248-L449 HydrophobicContact CZ2-CD1 3.95Å; W248-L449 HydrophobicContact CZ3-CB 3.74Å; W248-P450 HydrophobicContact CZ3-CB 4.09Å; W248-V459 HydrophobicContact CB-CG2 3.72Å; W248-V459 HydrophobicContact CD2-CG2 4.25Å; W248-V459 HydrophobicContact CG-CG2 3.83Å
249Q90.1Very high92.5Very high101 Ų10169.2 Ų69.247%0.47236%0.362SS..SBendtrans53.122.5-167.3-68.2175.2-14.200113.8
250R83.1Confident92.3Very high138 Ų13866.4 Ų66.452%0.52135%0.354SS..  trans-125.899.6-176.7-174.6175.9179152.32.4109.4W248 V252 P260W248-R250 PolarHBondContact O-N 2.68Å; R250-V252 HydrophobicContact CG-CG2 4.46Å; R250-V252 PolarHBondContact O-N 2.83Å; R250-P260 PolarHBondContact N-O 2.87Å
251V85.9Confident92.2Very high91 Ų9160 Ų6055%0.55232%0.324SS*.  trans-73122179.7-176.60000110.3E258 Y259V251-E258 HydrophobicContact CG1-CB 3.82Å; V251-E258 HydrophobicContact CG1-CG 3.86Å; V251-Y259 CarbonylContact C-O 3.58Å; V251-Y259 WeakPolarHBondContact CA-O 3.49Å
252V88.8Confident92.2Very high49 Ų4957.1 Ų57.130%0.29731%0.314SS..EExtended strand (participates in β ladder)trans-117.6136.5173179.80000109.9R250 Y259 V262R250-V252 HydrophobicContact CG-CG2 4.46Å; R250-V252 PolarHBondContact O-N 2.83Å; V252-Y259 PolarHBondContact N-O 3.11Å; V252-Y259 PolarHBondContact O-N 2.97Å; V252-V262 HydrophobicContact CB-CG2 3.85Å; V252-V262 HydrophobicContact CG2-CG2 3.57Å
253R88.5Confident92.2Very high193 Ų19356.2 Ų56.273%0.72831%0.308SS*.EExtended strand (participates in β ladder)trans-95.8123.7175.5-74.2178.9178.7170.61.7110.5R257 E258R253-R257 WeakPolarHBondContact CA-O 2.99Å; R253-E258 HydrophobicContact CG-CG 3.62Å; R253-E258 IonicContact CZ-OE1 2.87Å; R253-E258 IonicContact NE-OE1 3.29Å; R253-E258 PolarHBondContact NE-OE1 3.36Å; R253-E258 IonicContact NH2-OE1 3.22Å; R253-E258 PolarHBondContact NH2-OE1 2.84Å
254K86.4Confident92.2Very high123 Ų12357.9 Ų57.954%0.53532%0.315SS..EExtended strand (participates in β ladder)trans-140.3129173.1-169.9176.4-176.6177.30109.6G256 R257 Y259 P272K254-G256 PolarHBondContact O-N 2.73Å; K254-R257 PolarHBondContact N-O 3.07Å; K254-R257 PolarHBondContact O-N 3.25Å; K254-R257 VanDerWaalsContact O-N 3.08Å; K254-Y259 HydrophobicContact CB-CD2 4.36Å; K254-Y259 HydrophobicContact CB-CE2 4.13Å; K254-P272 HydrophobicContact CB-CG 4.43Å; K254-P272 HydrophobicContact CD-CG 3.72Å
255G83.2Confident92.2Very high90 Ų9056 Ų5693%0.92830%0.303SS*.THydrogen-bonded Turntrans58.631178.700000114.4R257G255-R257 VanDerWaalsContact C-N 3.28Å; G255-R257 PolarHBondContact O-N 2.66Å
256G83.6Confident92.1Very high88 Ų8861 Ų6191%0.90733%0.325SS*.THydrogen-bonded Turntrans79.10.7-177.900000115.5K254K254-G256 PolarHBondContact O-N 2.73Å
257R88.5Confident91.9Very high63 Ų6365.9 Ų65.924%0.23835%0.35CS..EExtended strand (participates in β ladder)trans-107.6146.4174.4-174.4169.8171.6177.36.4111.1D8 R253 K254 G255 Y259 D274D8-R257 PolarHBondContact O-NH1 2.96Å; R253-R257 WeakPolarHBondContact CA-O 2.99Å; K254-R257 PolarHBondContact N-O 3.07Å; K254-R257 PolarHBondContact O-N 3.25Å; K254-R257 VanDerWaalsContact O-N 3.08Å; G255-R257 VanDerWaalsContact C-N 3.28Å; G255-R257 PolarHBondContact O-N 2.66Å; R257-Y259 HydrophobicContact CB-CE2 3.97Å; R257-Y259 HydrophobicContact CG-CE1 4.29Å; R257-Y259 HydrophobicContact CG-CE2 4.09Å; R257-D274 IonicContact CZ-OD1 2.64Å; R257-D274 IonicContact CZ-OD2 2.83Å; R257-D274 IonicContact NE-OD1 3.53Å; R257-D274 IonicContact NE-OD2 2.99Å; R257-D274 IonicContact NH2-OD1 3.91Å; R257-D274 PolarHBondContact NH2-OD1 2.87Å; R257-D274 IonicContact NH2-OD2 3.6Å; R257-D274 PolarHBondContact NH2-OD2 3.17Å
258E90.7Very high91.8Very high94 Ų9467.2 Ų67.244%0.43937%0.369SS..EExtended strand (participates in β ladder)trans-95.1136.3173.5-76-179.5177.200110.5V251 R253V251-E258 HydrophobicContact CG1-CB 3.82Å; V251-E258 HydrophobicContact CG1-CG 3.86Å; R253-E258 HydrophobicContact CG-CG 3.62Å; R253-E258 IonicContact CZ-OE1 2.87Å; R253-E258 IonicContact NE-OE1 3.29Å; R253-E258 PolarHBondContact NE-OE1 3.36Å; R253-E258 IonicContact NH2-OE1 3.22Å; R253-E258 PolarHBondContact NH2-OE1 2.84Å
259Y93.9Very high91.9Very high30 Ų3070 Ų7012%0.11838%0.382CS..EExtended strand (participates in β ladder)trans-124.2122.7178.4-64.8-79.1000109.4Q10 V251 V252 K254 R257 V261 P272Q10-Y259 HydrophobicContact CB-CE1 4.1Å; Q10-Y259 HydrophobicContact CG-CE1 3.59Å; V251-Y259 CarbonylContact C-O 3.58Å; V251-Y259 WeakPolarHBondContact CA-O 3.49Å; V252-Y259 PolarHBondContact N-O 3.11Å; V252-Y259 PolarHBondContact O-N 2.97Å; K254-Y259 HydrophobicContact CB-CD2 4.36Å; K254-Y259 HydrophobicContact CB-CE2 4.13Å; R257-Y259 HydrophobicContact CB-CE2 3.97Å; R257-Y259 HydrophobicContact CG-CE1 4.29Å; R257-Y259 HydrophobicContact CG-CE2 4.09Å; Y259-V261 VanDerWaalsContact C-N 3.29Å; Y259-P272 HydrophobicContact CD1-CB 4.08Å; Y259-P272 HydrophobicContact CD2-CB 3.5Å; Y259-P272 VanDerWaalsContact CD2-CB 3.5Å; Y259-P272 HydrophobicContact CD2-CG 4.42Å; Y259-P272 HydrophobicContact CE2-CB 4.09Å; Y259-P272 HydrophobicContact CG-CB 3.46Å; Y259-P272 VanDerWaalsContact CG-CB 3.46Å
260P94.4Very high92.2Very high23 Ų2370.8 Ų70.815%0.14938%0.381CS..SBendtrans-77-14.4179.931.7-36.7000113.7R250 A273 D274 Q458R250-P260 PolarHBondContact N-O 2.87Å; P260-A273 WeakPolarHBondContact CD-O 3.3Å; P260-D274 WeakPolarHBondContact CG-O 3.41Å; P260-Q458 HydrophobicContact CB-CG 4.04Å; P260-Q458 HydrophobicContact CG-CG 4.26Å
261V96.9Very high92.8Very high0 Ų064.9 Ų64.90%036%0.359CS..EExtended strand (participates in β ladder)trans-126.9142.6-178.6-175.60000110.5V246 H247 W248 Y259 L263 P272 A273 V276 Q458V246-V261 HydrophobicContact CG1-CG1 3.91Å; H247-V261 CarbonylContact O-C 3.6Å; H247-V261 VanDerWaalsContact O-CA 3.3Å; H247-V261 WeakPolarHBondContact O-CA 3.28Å; W248-V261 HydrophobicContact CB-CG2 4.42Å; Y259-V261 VanDerWaalsContact C-N 3.29Å; V261-L263 HydrophobicContact CG1-CD1 4.31Å; V261-P272 WeakPolarHBondContact O-CA 3.44Å; V261-A273 HydrophobicContact CB-CB 4.4Å; V261-A273 PolarHBondContact N-O 3.26Å; V261-A273 PolarHBondContact O-N 3.41Å; V261-A273 VanDerWaalsContact O-O 3.13Å; V261-V276 HydrophobicContact CG1-CB 4.36Å; V261-V276 HydrophobicContact CG1-CG1 4.03Å; V261-Q458 HydrophobicContact CG2-CB 3.59Å; V261-Q458 HydrophobicContact CG2-CG 3.95Å
262V97.7Very high93.3Very high6 Ų661.4 Ų61.44%0.03634%0.339CS..EExtended strand (participates in β ladder)trans-135.1125.1169.2-179.10000109.6H247 V252 R270 I271 P272H247-V262 HydrophobicContact CB-CB 4.34Å; H247-V262 WeakPolarHBondContact CB-O 3.29Å; H247-V262 PolarHBondContact CD2-O 3.2Å; H247-V262 PolarHBondContact N-O 3.21Å; H247-V262 PolarHBondContact O-N 3.22Å; V252-V262 HydrophobicContact CB-CG2 3.85Å; V252-V262 HydrophobicContact CG2-CG2 3.57Å; V262-R270 HydrophobicContact CG1-CB 3.98Å; V262-R270 HydrophobicContact CG1-CG 4.46Å; V262-I271 WeakPolarHBondContact CA-O 3.34Å; V262-P272 HydrophobicContact CG2-CB 4.45Å
263L98.1Very high93.7Very high0 Ų059 Ų590%033%0.325CS..EExtended strand (participates in β ladder)trans-90.7134.5170.9-61.689000109.5V12 V14 L38 V243 V246 V261 R270 I271 A273 V276V12-L263 HydrophobicContact CB-CD1 3.75Å; V12-L263 HydrophobicContact CB-CD2 4.16Å; V12-L263 HydrophobicContact CG1-CD1 3.93Å; V12-L263 HydrophobicContact CG1-CD2 3.52Å; V12-L263 HydrophobicContact CG1-CG 4.37Å; V12-L263 HydrophobicContact CG2-CD1 3.93Å; V14-L263 HydrophobicContact CG2-CD2 3.44Å; V14-L263 VanDerWaalsContact CG2-CD2 3.44Å; L38-L263 HydrophobicContact CD1-CD2 3.97Å; V243-L263 HydrophobicContact CG1-CB 4.44Å; V243-L263 HydrophobicContact CG1-CD2 4.27Å; V243-L263 HydrophobicContact CG2-CD2 4.23Å; V246-L263 HydrophobicContact CG2-CD2 4.35Å; V246-L263 HydrophobicContact CG2-CG 4.3Å; V261-L263 HydrophobicContact CG1-CD1 4.31Å; L263-R270 CarbonylContact O-C 3.48Å; L263-R270 WeakPolarHBondContact O-CA 3.38Å; L263-I271 HydrophobicContact CB-CB 4.44Å; L263-I271 PolarHBondContact N-O 3.26Å; L263-I271 PolarHBondContact O-N 2.7Å; L263-A273 HydrophobicContact CD1-CB 3.99Å; L263-V276 HydrophobicContact CD1-CB 4.49Å; L263-V276 HydrophobicContact CD1-CG2 4.49Å; L263-V276 HydrophobicContact CD2-CG2 3.89Å; L263-V276 HydrophobicContact CG-CG2 4.48Å
264E98.3Very high94.1Very high43 Ų4350.7 Ų50.720%0.20129%0.294CS..EExtended strand (participates in β ladder)trans-108.9126.2172.9-175.6163.5-153.800108.7V243 S244 C245 H247 E269 R270V243-E264 CarbonylContact C-O 3.55Å; S244-E264 PolarHBondContact N-O 3.36Å; S244-E264 PolarHBondContact OG-O 3.17Å; S244-E264 VanDerWaalsContact OG-O 3.05Å; C245-E264 HydrophobicContact CB-CB 4.34Å; C245-E264 PolarHBondContact N-O 3.29Å; C245-E264 PolarHBondContact O-N 2.86Å; H247-E264 IonicContact CD2-OE2 3.77Å; H247-E264 IonicContact CE1-OE2 3.75Å; H247-E264 IonicContact NE2-OE2 2.8Å; H247-E264 PolarHBondContact NE2-OE2 3.33Å; E264-E269 WeakPolarHBondContact CA-O 3.48Å; E264-R270 HydrophobicContact CG-CG 4.41Å; E264-R270 IonicContact OE1-CZ 3.46Å; E264-R270 IonicContact OE1-NE 3.01Å; E264-R270 PolarHBondContact OE1-NE 3.42Å; E264-R270 IonicContact OE1-NH2 3.27Å; E264-R270 PolarHBondContact OE1-NH2 3.26Å; E264-R270 IonicContact OE2-CZ 3.92Å; E264-R270 IonicContact OE2-NH2 2.96Å; E264-R270 PolarHBondContact OE2-NH2 2.65Å
265C98.1Very high94.6Very high2 Ų245 Ų451%0.01427%0.27CS..EExtended strand (participates in β ladder)trans-93.1162.1176.1-57.10000110.4R241 P242 D267 G268 E269R241-C265 HydrophobicContact CG-CB 4.5Å; P242-C265 CarbonylContact O-C 3.54Å; P242-C265 VanDerWaalsContact O-CA 3.25Å; P242-C265 WeakPolarHBondContact O-CA 3.49Å; C265-D267 WeakPolarHBondContact CB-OD1 3.42Å; C265-D267 PolarHBondContact O-N 2.73Å; C265-G268 PolarHBondContact O-N 2.79Å; C265-E269 HydrophobicContact CB-CB 4.26Å; C265-E269 PolarHBondContact N-O 2.96Å
266E96.3Very high95.4Very high120 Ų12040.7 Ų40.756%0.56123%0.225SC*.THydrogen-bonded Turntrans-62.7-26.2179.4-66.1-176.116800113.6P242 G268P242-E266 HydrophobicContact CB-CG 3.92Å; P242-E266 HydrophobicContact CG-CB 3.9Å; P242-E266 VanDerWaalsContact CG-CD 3.43Å; P242-E266 HydrophobicContact CG-CG 3.7Å; P242-E266 WeakPolarHBondContact CG-OE2 3.44Å; P242-E266 PolarHBondContact O-N 3.47Å; E266-G268 PolarHBondContact O-N 3.41Å
267D95.3Very high96.1Very high101 Ų10136.5 Ų36.554%0.5418%0.182SC..THydrogen-bonded Turntrans-78.52.2174.768.9-3.4000113.6R241 C265 E269R241-D267 IonicContact CZ-OD2 2.86Å; R241-D267 IonicContact NH1-OD2 3.94Å; R241-D267 PolarHBondContact NH1-OD2 2.97Å; C265-D267 WeakPolarHBondContact CB-OD1 3.42Å; C265-D267 PolarHBondContact O-N 2.73Å; D267-E269 VanDerWaalsContact C-N 3.35Å; D267-E269 VanDerWaalsContact OD1-CB 3.23Å; D267-E269 WeakPolarHBondContact OD1-CB 3.47Å; D267-E269 PolarHBondContact OD1-N 2.68Å
268G95.3Very high96.6Very high45 Ų4533.6 Ų33.646%0.46417%0.171SC..SBendtrans85.1-0.3-17900000114.5C265 E266 R270C265-G268 PolarHBondContact O-N 2.79Å; E266-G268 PolarHBondContact O-N 3.41Å; G268-R270 PolarHBondContact O-N 3.45Å
269E96.3Very high97Very high71 Ų7129.7 Ų29.733%0.33215%0.154SC..  trans-61.9132.8174.4-171.8-176.4-177.900110.7R241 E264 C265 D267 I271R241-E269 IonicContact CZ-OE2 3.12Å; R241-E269 IonicContact NE-OE2 2.56Å; R241-E269 IonicContact NH1-OE2 2.89Å; R241-E269 PolarHBondContact NH1-OE2 2.86Å; E264-E269 WeakPolarHBondContact CA-O 3.48Å; C265-E269 HydrophobicContact CB-CB 4.26Å; C265-E269 PolarHBondContact N-O 2.96Å; D267-E269 VanDerWaalsContact C-N 3.35Å; D267-E269 VanDerWaalsContact OD1-CB 3.23Å; D267-E269 WeakPolarHBondContact OD1-CB 3.47Å; D267-E269 PolarHBondContact OD1-N 2.68Å; E269-I271 HydrophobicContact CG-CG1 4.09Å
270R96.3Very high97.2Very high116 Ų11629.6 Ų29.644%0.43816%0.157SC..EExtended strand (participates in β ladder)trans-114120.8176.6-69.5-178.8174.8-123.4-5.2111.3V262 L263 E264 G268 P272V262-R270 HydrophobicContact CG1-CB 3.98Å; V262-R270 HydrophobicContact CG1-CG 4.46Å; L263-R270 CarbonylContact O-C 3.48Å; L263-R270 WeakPolarHBondContact O-CA 3.38Å; E264-R270 HydrophobicContact CG-CG 4.41Å; E264-R270 IonicContact OE1-CZ 3.46Å; E264-R270 IonicContact OE1-NE 3.01Å; E264-R270 PolarHBondContact OE1-NE 3.42Å; E264-R270 IonicContact OE1-NH2 3.27Å; E264-R270 PolarHBondContact OE1-NH2 3.26Å; E264-R270 IonicContact OE2-CZ 3.92Å; E264-R270 IonicContact OE2-NH2 2.96Å; E264-R270 PolarHBondContact OE2-NH2 2.65Å; G268-R270 PolarHBondContact O-N 3.45Å; R270-P272 WeakPolarHBondContact O-CD 3.3Å
271I97Very high97.4Very high14 Ų1429.5 Ų29.57%0.07216%0.156CC..EExtended strand (participates in β ladder)trans-115.6103.6-172.9-56.3169.6000109.1V12 L38 V262 L263 E269V12-I271 HydrophobicContact CG2-CG2 4.08Å; L38-I271 HydrophobicContact CD1-CD1 3.69Å; L38-I271 HydrophobicContact CD2-CD1 3.96Å; L38-I271 HydrophobicContact CG-CD1 4.49Å; V262-I271 WeakPolarHBondContact CA-O 3.34Å; L263-I271 HydrophobicContact CB-CB 4.44Å; L263-I271 PolarHBondContact N-O 3.26Å; L263-I271 PolarHBondContact O-N 2.7Å; E269-I271 HydrophobicContact CG-CG1 4.09Å
272P96.8Very high97.5Very high18 Ų1829.6 Ų29.612%0.11716%0.156CC..EExtended strand (participates in β ladder)trans-70.1141.3174.2-17.932.8000111.9K254 Y259 V261 V262 R270K254-P272 HydrophobicContact CB-CG 4.43Å; K254-P272 HydrophobicContact CD-CG 3.72Å; Y259-P272 HydrophobicContact CD1-CB 4.08Å; Y259-P272 HydrophobicContact CD2-CB 3.5Å; Y259-P272 VanDerWaalsContact CD2-CB 3.5Å; Y259-P272 HydrophobicContact CD2-CG 4.42Å; Y259-P272 HydrophobicContact CE2-CB 4.09Å; Y259-P272 HydrophobicContact CG-CB 3.46Å; Y259-P272 VanDerWaalsContact CG-CB 3.46Å; V261-P272 WeakPolarHBondContact O-CA 3.44Å; V262-P272 HydrophobicContact CG2-CB 4.45Å; R270-P272 WeakPolarHBondContact O-CD 3.3Å
273A97.1Very high97.5Very high0 Ų029.6 Ų29.60%016%0.157CC..EExtended strand (participates in β ladder)trans-143.5153.7-178.500000111.5V12 P260 V261 L263V12-A273 HydrophobicContact CB-CB 4.42Å; V12-A273 HydrophobicContact CG2-CB 3.82Å; P260-A273 WeakPolarHBondContact CD-O 3.3Å; V261-A273 HydrophobicContact CB-CB 4.4Å; V261-A273 PolarHBondContact N-O 3.26Å; V261-A273 PolarHBondContact O-N 3.41Å; V261-A273 VanDerWaalsContact O-O 3.13Å; L263-A273 HydrophobicContact CD1-CB 3.99Å
274D95.9Very high97.5Very high18 Ų1830.6 Ų30.610%0.09616%0.161CC..SBendtrans-78.4-39.2166.5-59.8-88.8000110.4S9 Q10 R257 P260S9-D274 WeakPolarHBondContact CA-OD2 3.37Å; Q10-D274 WeakPolarHBondContact CB-OD2 3.44Å; Q10-D274 PolarHBondContact N-OD2 2.92Å; Q10-D274 PolarHBondContact O-N 2.97Å; R257-D274 IonicContact CZ-OD1 2.64Å; R257-D274 IonicContact CZ-OD2 2.83Å; R257-D274 IonicContact NE-OD1 3.53Å; R257-D274 IonicContact NE-OD2 2.99Å; R257-D274 IonicContact NH2-OD1 3.91Å; R257-D274 PolarHBondContact NH2-OD1 2.87Å; R257-D274 IonicContact NH2-OD2 3.6Å; R257-D274 PolarHBondContact NH2-OD2 3.17Å; P260-D274 WeakPolarHBondContact CG-O 3.41Å
275H97.6Very high97.5Very high3 Ų328.8 Ų28.81%0.01415%0.153CC..EExtended strand (participates in β ladder)trans-141.2150.2-179.3-56.5-83000111.2Q10 I11 V12 L457 Q458 L460 L488 Y492Q10-H275 PolarHBondContact O-N 2.84Å; I11-H275 WeakPolarHBondContact CA-O 3.35Å; I11-H275 HydrophobicContact CG1-CB 4.39Å; V12-H275 PolarHBondContact N-O 3.31Å; H275-L457 PolarHBondContact CE1-O 2.83Å; H275-L457 PolarHBondContact ND1-O 3.05Å; H275-Q458 CarbonylContact C-O 3.57Å; H275-Q458 WeakPolarHBondContact CA-O 3.44Å; H275-L460 HydrophobicContact CB-CD1 4.33Å; H275-L488 HydrophobicContact CB-CD1 4.08Å; H275-L488 HydrophobicContact CB-CD2 4.09Å; H275-L488 WeakPolarHBondContact ND1-CD2 3.31Å; H275-Y492 PolarHBondContact CD2-OH 3.48Å; H275-Y492 AromaticContact NE2-CE2 3.58Å; H275-Y492 AromaticContact NE2-CZ 3.5Å; H275-Y492 PolarHBondContact NE2-OH 3.23Å
276V98.8Very high97.5Very high0 Ų031.7 Ų31.70%017%0.165CC..EExtended strand (participates in β ladder)trans-123136.6165.863.70000111V12 V14 V246 V261 L263 L278 Q458 V459 L460V12-V276 CarbonylContact O-C 3.49Å; V12-V276 WeakPolarHBondContact O-CA 3.49Å; V12-V276 WeakPolarHBondContact O-CG2 3.39Å; V14-V276 HydrophobicContact CG2-CG2 3.79Å; V246-V276 HydrophobicContact CG1-CG1 3.8Å; V261-V276 HydrophobicContact CG1-CB 4.36Å; V261-V276 HydrophobicContact CG1-CG1 4.03Å; L263-V276 HydrophobicContact CD1-CB 4.49Å; L263-V276 HydrophobicContact CD1-CG2 4.49Å; L263-V276 HydrophobicContact CD2-CG2 3.89Å; L263-V276 HydrophobicContact CG-CG2 4.48Å; V276-L278 HydrophobicContact CG2-CD2 4.09Å; V276-L278 HydrophobicContact CG2-CG 4.39Å; V276-Q458 WeakPolarHBondContact CG1-O 3.36Å; V276-Q458 PolarHBondContact N-O 3.1Å; V276-V459 HydrophobicContact CG1-CB 4.02Å; V276-V459 HydrophobicContact CG1-CG1 3.92Å; V276-V459 HydrophobicContact CG1-CG2 3.81Å; V276-V459 CarbonylContact O-C 2.98Å; V276-V459 WeakPolarHBondContact O-CA 3.31Å; V276-L460 WeakPolarHBondContact O-CD1 3.48Å; V276-L460 PolarHBondContact O-N 2.95Å
277I98.9Very high97.6Very high0 Ų032.6 Ų32.60%017%0.167CC..EExtended strand (participates in β ladder)trans-105.3109.8166.4-51.9179.1000107.5V12 I13 V14 A23 L27 T279 L460 A462 E484 L488V12-I277 PolarHBondContact O-N 2.95Å; I13-I277 WeakPolarHBondContact CA-O 3.4Å; I13-I277 HydrophobicContact CG1-CB 4.18Å; I13-I277 HydrophobicContact CG1-CD1 4.31Å; I13-I277 HydrophobicContact CG1-CG1 4.45Å; V14-I277 PolarHBondContact N-O 3.11Å; A23-I277 HydrophobicContact CB-CD1 3.97Å; L27-I277 HydrophobicContact CD1-CD1 4.09Å; I277-T279 HydrophobicContact CG2-CG2 4Å; I277-L460 CarbonylContact C-O 3.59Å; I277-L460 WeakPolarHBondContact CA-O 3.44Å; I277-L460 HydrophobicContact CG1-CB 4.23Å; I277-A462 HydrophobicContact CG2-CB 4.11Å; I277-E484 HydrophobicContact CD1-CB 4.36Å; I277-E484 HydrophobicContact CG2-CB 4.13Å; I277-L488 HydrophobicContact CD1-CD1 4.09Å; I277-L488 HydrophobicContact CG1-CD1 4.29Å
278L98.8Very high97.7Very high2 Ų230 Ų301%0.0115%0.152CC..EExtended strand (participates in β ladder)trans-82.7123.2174.7-71.6-177.3000109.9V14 V246 V276 L293 V459 L460 F461 A462V14-L278 HydrophobicContact CB-CD2 3.73Å; V14-L278 HydrophobicContact CG1-CD2 4.3Å; V14-L278 HydrophobicContact CG2-CD2 3.69Å; V246-L278 HydrophobicContact CG2-CD2 4.03Å; V276-L278 HydrophobicContact CG2-CD2 4.09Å; V276-L278 HydrophobicContact CG2-CG 4.39Å; L278-L293 HydrophobicContact CD1-CD1 4.3Å; L278-L293 HydrophobicContact CD1-CD2 4.02Å; L278-L293 HydrophobicContact CD1-CG 4.35Å; L278-V459 HydrophobicContact CD1-CG1 3.56Å; L278-V459 HydrophobicContact CG-CG1 3.94Å; L278-L460 PolarHBondContact N-O 3.4Å; L278-F461 HydrophobicContact CB-CD1 4.22Å; L278-F461 HydrophobicContact CB-CE1 4.42Å; L278-F461 HydrophobicContact CD1-CD1 4.43Å; L278-F461 HydrophobicContact CD1-CE1 3.81Å; L278-F461 HydrophobicContact CD1-CZ 4.23Å; L278-A462 PolarHBondContact O-N 2.96Å
279T98.8Very high97.8Very high11 Ų1130.3 Ų30.37%0.06714%0.141CC..  trans-123.219.7177.775.30000113.5I13 V14 G15 S19 I277 A462I13-T279 HydrophobicContact CG2-CG2 4.17Å; V14-T279 WeakPolarHBondContact O-CA 3.27Å; V14-T279 WeakPolarHBondContact O-CB 3.45Å; V14-T279 PolarHBondContact O-N 3.28Å; V14-T279 PolarHBondContact O-OG1 2.89Å; G15-T279 PolarHBondContact O-OG1 2.86Å; S19-T279 WeakPolarHBondContact OG-CB 3.43Å; I277-T279 HydrophobicContact CG2-CG2 4Å; T279-A462 WeakPolarHBondContact CA-O 3.11Å; T279-A462 HydrophobicContact CG2-CB 4.11Å
280V98.4Very high97.8Very high29 Ų2929.7 Ų29.718%0.17615%0.154CC..  trans-61.7143.4178.1-61.50000110.9V14 Y284 L285 L292V14-V280 HydrophobicContact CG1-CG1 4.06Å; V280-Y284 HydrophobicContact CB-CD1 4Å; V280-Y284 HydrophobicContact CG1-CD1 4.15Å; V280-Y284 HydrophobicContact CG1-CE1 4.47Å; V280-Y284 HydrophobicContact CG2-CD1 4.41Å; V280-L285 HydrophobicContact CG2-CB 4.26Å; V280-L292 HydrophobicContact CG1-CD2 4.45Å; V280-L292 HydrophobicContact CG2-CD2 3.98Å
281P98.6Very high97.8Very high20 Ų2028.3 Ų28.313%0.1316%0.159CC..  trans-57.7150.1173.8-27.539000112.2G283 Y284 L285 F310 T426P281-G283 VanDerWaalsContact C-N 3.27Å; P281-G283 PolarHBondContact O-N 3.07Å; P281-Y284 WeakPolarHBondContact O-CB 3.22Å; P281-Y284 PolarHBondContact O-N 3.12Å; P281-Y284 VanDerWaalsContact O-N 3.14Å; P281-L285 PolarHBondContact O-N 3.31Å; P281-F310 HydrophobicContact CB-CZ 4.03Å; P281-T426 HydrophobicContact CG-CG2 4.33Å
282L98.7Very high97.8Very high3 Ų327.8 Ų27.82%0.01616%0.156CC..Hα-helixtrans-61.2-36.1178.9173.964.8000111.8Y284 L285 K286 V305 M308 F310 T431 L445 A465L282-Y284 PolarHBondContact O-N 3.05Å; L282-L285 PolarHBondContact O-N 3.39Å; L282-K286 HydrophobicContact CD1-CG 4.25Å; L282-K286 HydrophobicContact CG-CD 4.35Å; L282-K286 HydrophobicContact CG-CG 4.39Å; L282-K286 WeakPolarHBondContact O-CB 3.39Å; L282-K286 WeakPolarHBondContact O-CG 3.44Å; L282-K286 PolarHBondContact O-N 3.44Å; L282-V305 HydrophobicContact CD1-CG1 4.18Å; L282-M308 HydrophobicContact CD2-CB 3.82Å; L282-M308 HydrophobicContact CD2-CE 4.32Å; L282-F310 HydrophobicContact CB-CD2 3.62Å; L282-F310 HydrophobicContact CB-CE2 3.99Å; L282-F310 HydrophobicContact CB-CG 4.32Å; L282-F310 HydrophobicContact CD2-CB 4.29Å; L282-F310 HydrophobicContact CD2-CD2 4.24Å; L282-F310 HydrophobicContact CG-CB 4.31Å; L282-F310 HydrophobicContact CG-CD2 4.14Å; L282-T431 HydrophobicContact CD2-CG2 3.86Å; L282-L445 HydrophobicContact CD1-CD2 4.18Å; L282-A465 HydrophobicContact CB-CB 3.89Å; L282-A465 HydrophobicContact CD2-CB 4.26Å
283G98.3Very high97.9Very high5 Ų527.1 Ų27.15%0.05215%0.151CC..Hα-helixtrans-58.4-45.7173.100000113P281 L285 K286 K287 F310P281-G283 VanDerWaalsContact C-N 3.27Å; P281-G283 PolarHBondContact O-N 3.07Å; G283-L285 PolarHBondContact O-N 3.26Å; G283-K286 PolarHBondContact O-N 3Å; G283-K287 PolarHBondContact O-N 3.5Å; G283-K287 VanDerWaalsContact O-N 3.07Å; G283-F310 VanDerWaalsContact N-CD1 3.31Å; G283-F310 VanDerWaalsContact N-CG 3.35Å
284Y98.4Very high97.9Very high21 Ų2129.7 Ų29.78%0.08217%0.169CC..Hα-helixtrans-61.1-45.3173.8-170.2-89000111.3V280 P281 L282 K286 K287 H288 L292 P424 W425 T426V280-Y284 HydrophobicContact CB-CD1 4Å; V280-Y284 HydrophobicContact CG1-CD1 4.15Å; V280-Y284 HydrophobicContact CG1-CE1 4.47Å; V280-Y284 HydrophobicContact CG2-CD1 4.41Å; P281-Y284 WeakPolarHBondContact O-CB 3.22Å; P281-Y284 PolarHBondContact O-N 3.12Å; P281-Y284 VanDerWaalsContact O-N 3.14Å; L282-Y284 PolarHBondContact O-N 3.05Å; Y284-K286 PolarHBondContact O-N 3.49Å; Y284-K287 PolarHBondContact O-N 2.9Å; Y284-H288 HydrophobicContact CD1-CB 4.29Å; Y284-H288 AromaticContact CD2-CD2 3.62Å; Y284-H288 HydrophobicContact CE1-CB 3.99Å; Y284-H288 AromaticContact CE1-CD2 3.9Å; Y284-H288 AromaticContact CE2-CD2 3.49Å; Y284-H288 VanDerWaalsContact CE2-CD2 3.49Å; Y284-H288 WeakPolarHBondContact CE2-CD2 3.26Å; Y284-H288 AromaticContact CE2-NE2 3.75Å; Y284-H288 AromaticContact CG-CD2 3.89Å; Y284-H288 AromaticContact CZ-CD2 3.64Å; Y284-H288 AromaticContact CZ-CG 3.96Å; Y284-H288 WeakPolarHBondContact O-CB 3.3Å; Y284-H288 PolarHBondContact O-CD2 3.12Å; Y284-H288 VanDerWaalsContact O-CD2 3.28Å; Y284-H288 PolarHBondContact O-N 3.1Å; Y284-L292 HydrophobicContact CD1-CD2 4.34Å; Y284-L292 HydrophobicContact CE1-CD1 4.44Å; Y284-L292 HydrophobicContact CE1-CD2 4.21Å; Y284-P424 VanDerWaalsContact CD2-O 3.27Å; Y284-P424 WeakPolarHBondContact CD2-O 3.23Å; Y284-P424 WeakPolarHBondContact CE2-O 3.18Å; Y284-W425 AromaticContact CE2-CE3 3.93Å; Y284-W425 HydrophobicContact CE2-CE3 3.93Å; Y284-W425 HydrophobicContact CE2-CZ3 4.28Å; Y284-T426 PolarHBondContact N-O 3Å
285L98.4Very high97.9Very high6 Ų630.9 Ų30.93%0.03118%0.178CC..Hα-helixtrans-62-42.8177.5-174.761000112V280 P281 L282 G283 K287 H288 H289 L292 L293 L297 V305 L445V280-L285 HydrophobicContact CG2-CB 4.26Å; P281-L285 PolarHBondContact O-N 3.31Å; L282-L285 PolarHBondContact O-N 3.39Å; G283-L285 PolarHBondContact O-N 3.26Å; L285-K287 VanDerWaalsContact C-N 3.3Å; L285-K287 PolarHBondContact O-N 3.49Å; L285-H288 PolarHBondContact O-N 3.28Å; L285-H289 HydrophobicContact CD1-CB 4.3Å; L285-H289 WeakPolarHBondContact O-CA 3.41Å; L285-H289 WeakPolarHBondContact O-CB 3.43Å; L285-H289 PolarHBondContact O-N 2.98Å; L285-L292 HydrophobicContact CD1-CD2 4.01Å; L285-L293 HydrophobicContact CD1-CD1 4.29Å; L285-L297 HydrophobicContact CD1-CD1 4.36Å; L285-V305 HydrophobicContact CD2-CG1 4.46Å; L285-V305 HydrophobicContact CD2-CG2 3.69Å; L285-V305 HydrophobicContact CG-CG1 4.22Å; L285-V305 HydrophobicContact CG-CG2 4.24Å; L285-L445 HydrophobicContact CD2-CD1 3.83Å
286K98.1Very high97.9Very high63 Ų6335.2 Ų35.227%0.27421%0.206SC..Hα-helixtrans-58.1-41.4175.1-79.5174.7171.2-720112L282 G283 Y284 H289 V305 Q306 M308 F310L282-K286 HydrophobicContact CD1-CG 4.25Å; L282-K286 HydrophobicContact CG-CD 4.35Å; L282-K286 HydrophobicContact CG-CG 4.39Å; L282-K286 WeakPolarHBondContact O-CB 3.39Å; L282-K286 WeakPolarHBondContact O-CG 3.44Å; L282-K286 PolarHBondContact O-N 3.44Å; G283-K286 PolarHBondContact O-N 3Å; Y284-K286 PolarHBondContact O-N 3.49Å; K286-H289 PolarHBondContact O-CD2 3.05Å; K286-V305 VanDerWaalsContact CE-O 3.22Å; K286-V305 WeakPolarHBondContact CE-O 3.34Å; K286-V305 HydrophobicContact CG-CG1 3.83Å; K286-V305 WeakPolarHBondContact CG-O 3.25Å; K286-V305 PolarHBondContact NZ-O 3.13Å; K286-Q306 PolarHBondContact NZ-O 2.97Å; K286-M308 WeakPolarHBondContact CE-O 3.28Å; K286-M308 PolarHBondContact NZ-O 3.37Å; K286-F310 HydrophobicContact CD-CB 4.05Å
287K97.9Very high97.8Very high138 Ų13835.8 Ų35.860%0.621%0.209SC*.Hα-helixtrans-75.3-33.8179.7-172.5175.5178.2-179.20112.9G283 Y284 L285G283-K287 PolarHBondContact O-N 3.5Å; G283-K287 VanDerWaalsContact O-N 3.07Å; Y284-K287 PolarHBondContact O-N 2.9Å; L285-K287 VanDerWaalsContact C-N 3.3Å; L285-K287 PolarHBondContact O-N 3.49Å
288H97.8Very high97.6Very high48 Ų4837.8 Ų37.822%0.22222%0.222CC..Hα-helixtrans-116.34-167.7-63.2-78.8000115.1Y284 L285 G290 T291 L292Y284-H288 HydrophobicContact CD1-CB 4.29Å; Y284-H288 AromaticContact CD2-CD2 3.62Å; Y284-H288 HydrophobicContact CE1-CB 3.99Å; Y284-H288 AromaticContact CE1-CD2 3.9Å; Y284-H288 AromaticContact CE2-CD2 3.49Å; Y284-H288 VanDerWaalsContact CE2-CD2 3.49Å; Y284-H288 WeakPolarHBondContact CE2-CD2 3.26Å; Y284-H288 AromaticContact CE2-NE2 3.75Å; Y284-H288 AromaticContact CG-CD2 3.89Å; Y284-H288 AromaticContact CZ-CD2 3.64Å; Y284-H288 AromaticContact CZ-CG 3.96Å; Y284-H288 WeakPolarHBondContact O-CB 3.3Å; Y284-H288 PolarHBondContact O-CD2 3.12Å; Y284-H288 VanDerWaalsContact O-CD2 3.28Å; Y284-H288 PolarHBondContact O-N 3.1Å; L285-H288 PolarHBondContact O-N 3.28Å; H288-G290 PolarHBondContact O-N 3.36Å; H288-T291 PolarHBondContact O-N 2.97Å; H288-T291 PolarHBondContact O-OG1 3.3Å; H288-L292 HydrophobicContact CB-CB 4.36Å; H288-L292 VanDerWaalsContact O-CB 3.28Å; H288-L292 WeakPolarHBondContact O-CB 3.47Å; H288-L292 PolarHBondContact O-N 3.09Å
289H96.3Very high97.5Very high50 Ų5043.5 Ų43.523%0.23125%0.252CS..Hα-helixtrans-56-27.4-176.667.677.2000113.9L285 K286 T291 L297 L302L285-H289 HydrophobicContact CD1-CB 4.3Å; L285-H289 WeakPolarHBondContact O-CA 3.41Å; L285-H289 WeakPolarHBondContact O-CB 3.43Å; L285-H289 PolarHBondContact O-N 2.98Å; K286-H289 PolarHBondContact O-CD2 3.05Å; H289-T291 VanDerWaalsContact C-N 3.31Å; H289-L297 HydrophobicContact CB-CD1 4.24Å; H289-L302 HydrophobicContact CB-CD1 4.46Å; H289-L302 WeakPolarHBondContact ND1-CD1 2.97Å
290G96.2Very high97.4Very high58 Ų5846.1 Ų46.160%0.59826%0.264SS*.Hα-helixtrans-76.3-13.417900000114.8H288H288-G290 PolarHBondContact O-N 3.36Å
291T96.8Very high97.4Very high88 Ų8844.8 Ų44.854%0.5426%0.255SS..Hα-helixtrans-124.1-32.3-177.651.10000112.7C245 H288 H289 L293C245-T291 PolarHBondContact SG-O 3.1Å; H288-T291 PolarHBondContact O-N 2.97Å; H288-T291 PolarHBondContact O-OG1 3.3Å; H289-T291 VanDerWaalsContact C-N 3.31Å; T291-L293 VanDerWaalsContact C-N 3.31Å; T291-L293 PolarHBondContact O-N 3.2Å
292L98.1Very high97.3Very high3 Ų345.3 Ų45.32%0.01626%0.257CS..Hα-helixtrans-66.3-27-174.8-178.162.3000113.7C245 V246 V280 Y284 L285 H288C245-L292 CarbonylContact C-O 3.56Å; V246-L292 PolarHBondContact N-O 3.43Å; V280-L292 HydrophobicContact CG1-CD2 4.45Å; V280-L292 HydrophobicContact CG2-CD2 3.98Å; Y284-L292 HydrophobicContact CD1-CD2 4.34Å; Y284-L292 HydrophobicContact CE1-CD1 4.44Å; Y284-L292 HydrophobicContact CE1-CD2 4.21Å; L285-L292 HydrophobicContact CD1-CD2 4.01Å; H288-L292 HydrophobicContact CB-CB 4.36Å; H288-L292 VanDerWaalsContact O-CB 3.28Å; H288-L292 WeakPolarHBondContact O-CB 3.47Å; H288-L292 PolarHBondContact O-N 3.09Å
293L98.3Very high97.3Very high4 Ų449.2 Ų49.22%0.02128%0.275CS..EExtended strand (participates in β ladder)trans-126.7137.2178.3-65.9100.3000111.9L278 L285 T291 P295 L297 L449 V459 F461L278-L293 HydrophobicContact CD1-CD1 4.3Å; L278-L293 HydrophobicContact CD1-CD2 4.02Å; L278-L293 HydrophobicContact CD1-CG 4.35Å; L285-L293 HydrophobicContact CD1-CD1 4.29Å; T291-L293 VanDerWaalsContact C-N 3.31Å; T291-L293 PolarHBondContact O-N 3.2Å; L293-P295 CarbonylContact C-O 3.52Å; L293-P295 VanDerWaalsContact C-O 3.3Å; L293-P295 CarbonylContact O-C 3.57Å; L293-L297 HydrophobicContact CD1-CD2 3.83Å; L293-L297 HydrophobicContact CD1-CG 4.18Å; L293-L297 HydrophobicContact CD2-CD2 3.77Å; L293-L297 HydrophobicContact CG-CD2 4.28Å; L293-L449 HydrophobicContact CD2-CD1 4.5Å; L293-V459 HydrophobicContact CD2-CG1 4.07Å; L293-F461 HydrophobicContact CD2-CZ 4.27Å
294S96.9Very high97.3Very high53 Ų5349 Ų4937%0.37127%0.272SS..EExtended strand (participates in β ladder)trans-134.1117.6173.4-1680000109.9V246 H247 W248V246-S294 PolarHBondContact O-N 3.31Å; H247-S294 CarbonylContact C-O 3.58Å; H247-S294 VanDerWaalsContact CA-O 3.25Å; H247-S294 WeakPolarHBondContact CA-O 3.32Å; W248-S294 VanDerWaalsContact CD1-O 3.23Å; W248-S294 PolarHBondContact N-O 3.47Å
295P96.1Very high97.3Very high44 Ų4448 Ų4829%0.28627%0.269SS..SBendcis-62.7165.9-3.227.2-33.5000113.1W248 L293W248-P295 HydrophobicContact CD2-CG 4.4Å; W248-P295 HydrophobicContact CH2-CG 4.49Å; W248-P295 HydrophobicContact CZ2-CG 3.8Å; W248-P295 PolarHBondContact NE1-O 2.93Å; W248-P295 WeakPolarHBondContact O-CD 3.37Å; L293-P295 CarbonylContact C-O 3.52Å; L293-P295 VanDerWaalsContact C-O 3.3Å; L293-P295 CarbonylContact O-C 3.57Å
296P96.8Very high97.2Very high93 Ų9353 Ų5360%0.60429%0.292SS*.PPolyproline II helixtrans-60164.4178.8-23.434.3000113.2
297L97.1Very high97.1Very high12 Ų1255.1 Ų55.16%0.06330%0.298CS..PPolyproline II helixtrans-58.2142.9173.7-63.2177.9000111.3L285 H289 L293 K301 V305 L449 F461L285-L297 HydrophobicContact CD1-CD1 4.36Å; H289-L297 HydrophobicContact CB-CD1 4.24Å; L293-L297 HydrophobicContact CD1-CD2 3.83Å; L293-L297 HydrophobicContact CD1-CG 4.18Å; L293-L297 HydrophobicContact CD2-CD2 3.77Å; L293-L297 HydrophobicContact CG-CD2 4.28Å; L297-K301 HydrophobicContact CD1-CD 4.38Å; L297-K301 HydrophobicContact CD1-CG 4.43Å; L297-K301 HydrophobicContact CD2-CD 3.79Å; L297-K301 HydrophobicContact CG-CD 4.47Å; L297-V305 HydrophobicContact CD1-CG2 4.3Å; L297-L449 HydrophobicContact CD2-CD1 3.91Å; L297-F461 HydrophobicContact CD2-CE1 4.45Å; L297-F461 HydrophobicContact CD2-CZ 3.96Å
298P95.8Very high97.1Very high42 Ų4248.7 Ų48.727%0.27327%0.27SS..PPolyproline II helixtrans-55147.8168.3-26.335.8000112.2H300 K301 L302 L449P298-H300 VanDerWaalsContact C-N 3.31Å; P298-H300 WeakPolarHBondContact CB-ND1 3.14Å; P298-H300 PolarHBondContact O-N 2.88Å; P298-K301 PolarHBondContact O-N 2.9Å; P298-K301 VanDerWaalsContact O-N 3.13Å; P298-L302 PolarHBondContact O-N 3.07Å; P298-L449 HydrophobicContact CG-CD2 3.69Å
299L96.7Very high97.1Very high123 Ų12346.6 Ų46.664%0.64426%0.262SS*.Hα-helixtrans-56.8-39.6-172-70.9177.1000113.5K301 L302 H303L299-K301 PolarHBondContact O-N 3.37Å; L299-L302 PolarHBondContact O-N 2.81Å; L299-H303 WeakPolarHBondContact O-CB 3.42Å; L299-H303 PolarHBondContact O-CD2 3.39Å; L299-H303 PolarHBondContact O-N 2.93Å
300H96.1Very high97.2Very high66 Ų6645.6 Ų45.631%0.30626%0.256SS..Hα-helixtrans-63.9-42.7179.968.8-71000112.1P298 H303 S304 E447P298-H300 VanDerWaalsContact C-N 3.31Å; P298-H300 WeakPolarHBondContact CB-ND1 3.14Å; P298-H300 PolarHBondContact O-N 2.88Å; H300-H303 PolarHBondContact O-N 3.14Å; H300-S304 PolarHBondContact O-N 3.29Å; H300-S304 VanDerWaalsContact O-N 3.12Å; H300-S304 PolarHBondContact O-OG 3.46Å; H300-E447 IonicContact CD2-OE2 2.72Å; H300-E447 IonicContact CE1-OE2 3.17Å; H300-E447 IonicContact NE2-OE2 2.69Å; H300-E447 PolarHBondContact NE2-OE2 2.91Å
301K97.7Very high97.2Very high0 Ų043.2 Ų43.20%023%0.232CC..Hα-helixtrans-68-39.7175.8-176.9-178.7-77.3-76.90111.2L297 P298 L299 S304 V305 N444 L445 E447 L449 F461L297-K301 HydrophobicContact CD1-CD 4.38Å; L297-K301 HydrophobicContact CD1-CG 4.43Å; L297-K301 HydrophobicContact CD2-CD 3.79Å; L297-K301 HydrophobicContact CG-CD 4.47Å; P298-K301 PolarHBondContact O-N 2.9Å; P298-K301 VanDerWaalsContact O-N 3.13Å; L299-K301 PolarHBondContact O-N 3.37Å; K301-S304 PolarHBondContact O-N 3.21Å; K301-V305 WeakPolarHBondContact O-CG2 3.38Å; K301-V305 PolarHBondContact O-N 3.1Å; K301-N444 VanDerWaalsContact CE-O 3.29Å; K301-N444 WeakPolarHBondContact CE-O 3.29Å; K301-N444 PolarHBondContact NZ-O 3.4Å; K301-L445 PolarHBondContact NZ-O 2.86Å; K301-E447 WeakPolarHBondContact CE-O 3.49Å; K301-E447 PolarHBondContact NZ-O 3.45Å; K301-L449 HydrophobicContact CD-CD1 4.48Å; K301-F461 HydrophobicContact CD-CE2 4.26Å; K301-F461 HydrophobicContact CD-CZ 4.17Å
302L97.5Very high97.2Very high32 Ų3239.1 Ų39.117%0.16821%0.207CC..Hα-helixtrans-62.1-45.3175.6178.659.6000111.8H289 P298 L299 S304 V305 Q306H289-L302 HydrophobicContact CB-CD1 4.46Å; H289-L302 WeakPolarHBondContact ND1-CD1 2.97Å; P298-L302 PolarHBondContact O-N 3.07Å; L299-L302 PolarHBondContact O-N 2.81Å; L302-S304 VanDerWaalsContact C-N 3.3Å; L302-S304 PolarHBondContact O-N 3.46Å; L302-V305 WeakPolarHBondContact O-CB 3.4Å; L302-V305 PolarHBondContact O-N 3.48Å; L302-Q306 WeakPolarHBondContact O-CG 3.46Å; L302-Q306 PolarHBondContact O-N 3.41Å
303H98Very high97.1Very high85 Ų8539.4 Ų39.439%0.39421%0.209SC..Hα-helixtrans-61-39175.8-66.4169.3000111.8L299 H300 Q306 R307L299-H303 WeakPolarHBondContact O-CB 3.42Å; L299-H303 PolarHBondContact O-CD2 3.39Å; L299-H303 PolarHBondContact O-N 2.93Å; H300-H303 PolarHBondContact O-N 3.14Å; H303-Q306 PolarHBondContact O-N 2.64Å; H303-R307 WeakPolarHBondContact O-CB 3.26Å; H303-R307 WeakPolarHBondContact O-CG 3.46Å; H303-R307 PolarHBondContact O-N 2.72Å
304S98.1Very high97.1Very high0 Ų039.2 Ų39.20%021%0.208CC..Hα-helixtrans-65.2-42.6173.9-620000112.5H300 K301 L302 Q306 R307 M308 D441 N444H300-S304 PolarHBondContact O-N 3.29Å; H300-S304 VanDerWaalsContact O-N 3.12Å; H300-S304 PolarHBondContact O-OG 3.46Å; K301-S304 PolarHBondContact O-N 3.21Å; L302-S304 VanDerWaalsContact C-N 3.3Å; L302-S304 PolarHBondContact O-N 3.46Å; S304-Q306 PolarHBondContact O-N 2.8Å; S304-R307 PolarHBondContact O-N 3.39Å; S304-M308 WeakPolarHBondContact O-CB 3.24Å; S304-M308 VanDerWaalsContact O-CG 3.27Å; S304-M308 WeakPolarHBondContact O-CG 3.47Å; S304-M308 PolarHBondContact O-N 2.83Å; S304-D441 WeakPolarHBondContact CA-OD1 3.46Å; S304-D441 VanDerWaalsContact CB-OD1 3.31Å; S304-D441 WeakPolarHBondContact CB-OD1 3.37Å; S304-D441 WeakPolarHBondContact OG-CA 3.31Å; S304-D441 PolarHBondContact OG-OD1 3.38Å; S304-N444 WeakPolarHBondContact OG-CB 3.39Å; S304-N444 PolarHBondContact OG-ND2 3.15Å
305V98.1Very high97.2Very high1 Ų137.1 Ų37.11%0.00619%0.192CC..Hα-helixtrans-57.5-37.3172.4169.40000111.3L282 L285 K286 L297 K301 L302 L445L282-V305 HydrophobicContact CD1-CG1 4.18Å; L285-V305 HydrophobicContact CD2-CG1 4.46Å; L285-V305 HydrophobicContact CD2-CG2 3.69Å; L285-V305 HydrophobicContact CG-CG1 4.22Å; L285-V305 HydrophobicContact CG-CG2 4.24Å; K286-V305 VanDerWaalsContact CE-O 3.22Å; K286-V305 WeakPolarHBondContact CE-O 3.34Å; K286-V305 HydrophobicContact CG-CG1 3.83Å; K286-V305 WeakPolarHBondContact CG-O 3.25Å; K286-V305 PolarHBondContact NZ-O 3.13Å; L297-V305 HydrophobicContact CD1-CG2 4.3Å; K301-V305 WeakPolarHBondContact O-CG2 3.38Å; K301-V305 PolarHBondContact O-N 3.1Å; L302-V305 WeakPolarHBondContact O-CB 3.4Å; L302-V305 PolarHBondContact O-N 3.48Å; V305-L445 HydrophobicContact CG2-CD1 3.73Å
306Q96.5Very high97.3Very high109 Ų10935 Ų3551%0.50918%0.178SC..Hα-helixtrans-73.8-45.1178.6-71.7172.2-18.800112.5K286 L302 H303 S304K286-Q306 PolarHBondContact NZ-O 2.97Å; L302-Q306 WeakPolarHBondContact O-CG 3.46Å; L302-Q306 PolarHBondContact O-N 3.41Å; H303-Q306 PolarHBondContact O-N 2.64Å; S304-Q306 PolarHBondContact O-N 2.8Å
307R96.3Very high97.4Very high109 Ų10930.6 Ų30.641%0.41115%0.149SC..Hα-helixtrans-67.6-43.9-178.2-77.6-166.7-69.7-112.42.4114H303 S304 G309 A434 T437 D441H303-R307 WeakPolarHBondContact O-CB 3.26Å; H303-R307 WeakPolarHBondContact O-CG 3.46Å; H303-R307 PolarHBondContact O-N 2.72Å; S304-R307 PolarHBondContact O-N 3.39Å; R307-G309 PolarHBondContact O-N 2.84Å; R307-A434 WeakPolarHBondContact O-CB 3.46Å; R307-T437 PolarHBondContact O-OG1 2.81Å; R307-D441 IonicContact CZ-OD1 3.86Å; R307-D441 VanDerWaalsContact CZ-OD1 3.27Å; R307-D441 IonicContact NE-OD1 2.72Å; R307-D441 PolarHBondContact NE-OD1 3.31Å; R307-D441 IonicContact NE-OD2 3.42Å; R307-D441 PolarHBondContact NE-OD2 3.15Å; R307-D441 IonicContact NH2-OD1 2.76Å; R307-D441 PolarHBondContact NH2-OD1 3.01Å; R307-D441 IonicContact NH2-OD2 3.72Å
308M97.8Very high97.4Very high3 Ų330 Ų302%0.01515%0.146CC..SBendtrans-60.9138.9-178.1-68.317668.400110.8L282 K286 S304 T431 T437 D441 I442 L445 A465L282-M308 HydrophobicContact CD2-CB 3.82Å; L282-M308 HydrophobicContact CD2-CE 4.32Å; K286-M308 WeakPolarHBondContact CE-O 3.28Å; K286-M308 PolarHBondContact NZ-O 3.37Å; S304-M308 WeakPolarHBondContact O-CB 3.24Å; S304-M308 VanDerWaalsContact O-CG 3.27Å; S304-M308 WeakPolarHBondContact O-CG 3.47Å; S304-M308 PolarHBondContact O-N 2.83Å; M308-T431 HydrophobicContact CE-CG2 3.79Å; M308-T437 HydrophobicContact CG-CG2 4.03Å; M308-D441 HydrophobicContact CG-CB 4Å; M308-D441 HydrophobicContact SD-CB 4.24Å; M308-I442 HydrophobicContact CE-CG1 3.88Å; M308-I442 HydrophobicContact SD-CG1 4.49Å; M308-L445 HydrophobicContact CE-CD2 3.99Å; M308-L445 HydrophobicContact SD-CB 4.19Å; M308-L445 HydrophobicContact SD-CD2 3.87Å; M308-A465 HydrophobicContact CE-CB 4.48Å; M308-A465 WeakPolarHBondContact CE-O 3.47Å
309G97.6Very high97.5Very high4 Ų428.6 Ų28.64%0.04114%0.136CC..EExtended strand (participates in β ladder)trans-76.1145.4178.300000111.7R307 T431 Y432R307-G309 PolarHBondContact O-N 2.84Å; G309-T431 CarbonylContact O-C 3.55Å; G309-T431 VanDerWaalsContact O-CA 3.29Å; G309-T431 WeakPolarHBondContact O-CA 3.46Å; G309-T431 WeakPolarHBondContact O-CG2 3.28Å; G309-Y432 VanDerWaalsContact CA-CE1 3.46Å; G309-Y432 VanDerWaalsContact CA-O 3.28Å; G309-Y432 WeakPolarHBondContact CA-O 3.39Å; G309-Y432 PolarHBondContact N-O 2.7Å; G309-Y432 PolarHBondContact O-N 3.29Å
310F98.1Very high97.6Very high28 Ų2823.2 Ų23.212%0.12311%0.108CC..EExtended strand (participates in β ladder)trans-142.8113.8165.9-164.3-99.2000107.5P281 L282 G283 K286 T426 C427 Y430P281-F310 HydrophobicContact CB-CZ 4.03Å; L282-F310 HydrophobicContact CB-CD2 3.62Å; L282-F310 HydrophobicContact CB-CE2 3.99Å; L282-F310 HydrophobicContact CB-CG 4.32Å; L282-F310 HydrophobicContact CD2-CB 4.29Å; L282-F310 HydrophobicContact CD2-CD2 4.24Å; L282-F310 HydrophobicContact CG-CB 4.31Å; L282-F310 HydrophobicContact CG-CD2 4.14Å; G283-F310 VanDerWaalsContact N-CD1 3.31Å; G283-F310 VanDerWaalsContact N-CG 3.35Å; K286-F310 HydrophobicContact CD-CB 4.05Å; F310-T426 WeakPolarHBondContact CE1-O 3.41Å; F310-C427 WeakPolarHBondContact CD1-O 3.49Å; F310-C427 WeakPolarHBondContact CE1-O 3.32Å; F310-Y430 VanDerWaalsContact CD2-C 3.48Å
311G96.6Very high97.5Very high8 Ų824.7 Ų24.78%0.08212%0.118CC..EExtended strand (participates in β ladder)trans-124.4-174.3-17200000113.1G192 S429 Y430G192-G311 CarbonylContact O-C 3.57Å; G192-G311 WeakPolarHBondContact O-CA 3.44Å; G311-S429 PolarHBondContact O-N 3.39Å; G311-S429 PolarHBondContact O-OG 2.84Å; G311-Y430 PolarHBondContact N-O 3.24Å; G311-Y430 VanDerWaalsContact N-O 3.1Å
312T97.3Very high97.4Very high2 Ų231.5 Ų31.51%0.01215%0.15CC..  trans-118.4125.7-169.8-570000109.2G192 A378 G379 E383 F421 S429G192-T312 PolarHBondContact O-N 3.09Å; T312-A378 CarbonylContact O-C 3.46Å; T312-A378 WeakPolarHBondContact O-CA 3.35Å; T312-A378 WeakPolarHBondContact O-CB 3.33Å; T312-G379 PolarHBondContact O-N 2.99Å; T312-E383 HydrophobicContact CG2-CG 3.9Å; T312-E383 PolarHBondContact OG1-OE1 2.88Å; T312-F421 HydrophobicContact CG2-CB 3.78Å; T312-F421 WeakPolarHBondContact OG1-CD2 3.34Å; T312-S429 WeakPolarHBondContact CA-OG 3.35Å
313N96.7Very high97.3Very high10 Ų1032 Ų325%0.05316%0.155CC..EExtended strand (participates in β ladder)trans-132.1125.1169.3-170.327.1000108.1C189 I377 A378 S429 Y430C189-N313 PolarHBondContact O-ND2 3.5Å; C189-N313 VanDerWaalsContact O-ND2 3.17Å; N313-I377 PolarHBondContact OD1-O 2.73Å; N313-A378 HydrophobicContact CB-CB 4.36Å; N313-S429 PolarHBondContact N-OG 2.97Å; N313-Y430 HydrophobicContact CB-CE1 4.23Å; N313-Y430 PolarHBondContact ND2-OH 2.92Å
314N98.1Very high97.1Very high0 Ų030.7 Ų30.70%015%0.146CC..EExtended strand (participates in β ladder)trans-121.6161.7178.4-76.1-56.8000111.1I377 S382 M385 E386 S418 Q419 W420N314-I377 HydrophobicContact CB-CG2 4.2Å; N314-I377 PolarHBondContact N-O 3.01Å; N314-I377 PolarHBondContact O-N 3.28Å; N314-S382 VanDerWaalsContact CB-OG 3.27Å; N314-S382 WeakPolarHBondContact CB-OG 3.25Å; N314-S382 PolarHBondContact N-OG 2.99Å; N314-S382 PolarHBondContact ND2-OG 3.24Å; N314-M385 HydrophobicContact CB-CE 3.75Å; N314-E386 PolarHBondContact ND2-OE1 3.25Å; N314-S418 WeakPolarHBondContact CA-OG 3.25Å; N314-S418 WeakPolarHBondContact CB-OG 3.4Å; N314-S418 VanDerWaalsContact CG-OG 3.27Å; N314-S418 WeakPolarHBondContact OD1-CB 3.38Å; N314-S418 PolarHBondContact OD1-O 3.17Å; N314-S418 PolarHBondContact OD1-OG 3.1Å; N314-Q419 PolarHBondContact OD1-N 3.16Å; N314-W420 VanDerWaalsContact OD1-CD1 3.31Å; N314-W420 PolarHBondContact OD1-N 2.91Å; N314-W420 VanDerWaalsContact OD1-N 3.11Å
315K98.3Very high96.9Very high8 Ų831.7 Ų31.74%0.03515%0.15CC..EExtended strand (participates in β ladder)trans-111.3146.1175.9-56.5-178.6-166.2-171.90110.5E59 G61 N63 F317 G375 W376 R417 S418E59-K315 VanDerWaalsContact O-CD 3.28Å; E59-K315 WeakPolarHBondContact O-CD 3.41Å; E59-K315 WeakPolarHBondContact O-CE 3.41Å; E59-K315 PolarHBondContact O-NZ 3.28Å; G61-K315 VanDerWaalsContact O-CE 3.26Å; G61-K315 WeakPolarHBondContact O-CE 3.21Å; G61-K315 PolarHBondContact O-NZ 2.93Å; N63-K315 PolarHBondContact OD1-NZ 2.83Å; K315-F317 HydrophobicContact CB-CD2 4.39Å; K315-F317 HydrophobicContact CB-CE2 3.69Å; K315-F317 HydrophobicContact CB-CZ 3.87Å; K315-F317 HydrophobicContact CD-CE1 4.47Å; K315-F317 HydrophobicContact CD-CE2 4.12Å; K315-F317 HydrophobicContact CD-CZ 3.6Å; K315-F317 HydrophobicContact CG-CZ 4.41Å; K315-G375 CarbonylContact C-O 3.33Å; K315-G375 VanDerWaalsContact CA-O 3.22Å; K315-G375 WeakPolarHBondContact CA-O 3.18Å; K315-W376 HydrophobicContact CD-CH2 3.89Å; K315-W376 HydrophobicContact CD-CZ2 4.27Å; K315-W376 HydrophobicContact CD-CZ3 4.04Å; K315-W376 VanDerWaalsContact CE-CZ3 3.4Å; K315-W376 HydrophobicContact CG-CD2 4.44Å; K315-W376 HydrophobicContact CG-CE3 3.98Å; K315-W376 HydrophobicContact CG-CH2 4.2Å; K315-W376 HydrophobicContact CG-CZ3 3.89Å; K315-R417 CarbonylContact O-C 3.52Å; K315-R417 VanDerWaalsContact O-CA 3.23Å; K315-R417 WeakPolarHBondContact O-CA 3.29Å; K315-S418 PolarHBondContact N-OG 3.26Å; K315-S418 PolarHBondContact O-N 2.83Å
316I98.5Very high96.6Very high0 Ų035 Ų350%017%0.168CC..EExtended strand (participates in β ladder)trans-119.6110.4169.2-52.7179.9000107.8V318 W353 L357 G375 I377 M385 V397 V415 L416I316-V318 HydrophobicContact CG2-CG2 4.06Å; I316-W353 HydrophobicContact CD1-CZ3 4.27Å; I316-L357 HydrophobicContact CD1-CD1 3.97Å; I316-G375 PolarHBondContact N-O 3.44Å; I316-G375 PolarHBondContact O-N 3.44Å; I316-I377 HydrophobicContact CD1-CG2 4.39Å; I316-I377 HydrophobicContact CG1-CG2 4.41Å; I316-M385 HydrophobicContact CD1-SD 3.44Å; I316-M385 WeakPolarHBondContact CD1-SD 3.48Å; I316-M385 HydrophobicContact CG1-CE 4.42Å; I316-M385 HydrophobicContact CG1-SD 3.66Å; I316-V397 HydrophobicContact CD1-CG2 4.16Å; I316-V397 HydrophobicContact CG2-CG2 3.95Å; I316-V415 HydrophobicContact CG2-CG1 3.81Å; I316-L416 CarbonylContact C-O 3.56Å; I316-L416 WeakPolarHBondContact CA-O 3.11Å
317F98.4Very high96.2Very high0 Ų037 Ų370%018%0.182CC..EExtended strand (participates in β ladder)trans-89.2132.3174.8-61-81.2000110.1M53 I58 E59 I60 K315 L363 V372 L373 C374 V415 L416M53-F317 HydrophobicContact CE-CB 3.84Å; M53-F317 HydrophobicContact SD-CB 3.82Å; I58-F317 HydrophobicContact CB-CD1 3.92Å; I58-F317 HydrophobicContact CB-CD2 4.5Å; I58-F317 HydrophobicContact CB-CE1 3.74Å; I58-F317 HydrophobicContact CB-CE2 4.33Å; I58-F317 HydrophobicContact CB-CG 4.29Å; I58-F317 HydrophobicContact CB-CZ 3.95Å; I58-F317 HydrophobicContact CD1-CB 4.36Å; I58-F317 HydrophobicContact CD1-CD1 4.34Å; I58-F317 HydrophobicContact CD1-CD2 3.6Å; I58-F317 HydrophobicContact CD1-CE2 3.92Å; I58-F317 HydrophobicContact CD1-CG 3.82Å; I58-F317 HydrophobicContact CD1-CZ 4.41Å; I58-F317 HydrophobicContact CG2-CD1 3.7Å; I58-F317 HydrophobicContact CG2-CE1 3.96Å; I58-F317 HydrophobicContact CG2-CG 4.17Å; E59-F317 VanDerWaalsContact O-CZ 3.31Å; E59-F317 WeakPolarHBondContact O-CZ 3.44Å; I60-F317 HydrophobicContact CD1-CD2 4.46Å; I60-F317 HydrophobicContact CD1-CE2 3.92Å; K315-F317 HydrophobicContact CB-CD2 4.39Å; K315-F317 HydrophobicContact CB-CE2 3.69Å; K315-F317 HydrophobicContact CB-CZ 3.87Å; K315-F317 HydrophobicContact CD-CE1 4.47Å; K315-F317 HydrophobicContact CD-CE2 4.12Å; K315-F317 HydrophobicContact CD-CZ 3.6Å; K315-F317 HydrophobicContact CG-CZ 4.41Å; F317-L363 HydrophobicContact CD1-CD1 4.37Å; F317-L363 HydrophobicContact CE1-CD1 4.38Å; F317-V372 HydrophobicContact CD1-CG1 4.35Å; F317-L373 CarbonylContact C-O 3.5Å; F317-L373 VanDerWaalsContact CA-O 3.32Å; F317-L373 WeakPolarHBondContact CA-O 3.34Å; F317-C374 HydrophobicContact CD1-CB 4.09Å; F317-C374 HydrophobicContact CE1-CB 3.93Å; F317-V415 CarbonylContact O-C 3.46Å; F317-V415 VanDerWaalsContact O-CA 3.27Å; F317-V415 WeakPolarHBondContact O-CA 3.07Å; F317-L416 HydrophobicContact CB-CB 4.39Å; F317-L416 PolarHBondContact N-O 3.18Å; F317-L416 PolarHBondContact O-N 2.92Å
318V98.3Very high95.8Very high0 Ų036.3 Ų36.30%019%0.186CC..EExtended strand (participates in β ladder)trans-130.5114.3-177.3-167.40000108.6I316 F320 F360 V372 L373 V397 I401 P412 R414 V415I316-V318 HydrophobicContact CG2-CG2 4.06Å; V318-F320 HydrophobicContact CB-CE2 4.01Å; V318-F320 HydrophobicContact CB-CZ 4.34Å; V318-F320 HydrophobicContact CG1-CD2 4.44Å; V318-F320 HydrophobicContact CG1-CE1 4.28Å; V318-F320 HydrophobicContact CG1-CE2 3.48Å; V318-F320 VanDerWaalsContact CG1-CE2 3.48Å; V318-F320 HydrophobicContact CG1-CZ 3.38Å; V318-F360 HydrophobicContact CG2-CE1 3.9Å; V318-V372 WeakPolarHBondContact O-CA 3.19Å; V318-L373 HydrophobicContact CB-CB 4.32Å; V318-L373 PolarHBondContact N-O 3.08Å; V318-L373 PolarHBondContact O-N 2.84Å; V318-V397 HydrophobicContact CG1-CG1 4.36Å; V318-V397 HydrophobicContact CG2-CG1 3.67Å; V318-I401 HydrophobicContact CG1-CD1 4.16Å; V318-P412 HydrophobicContact CG1-CB 3.63Å; V318-P412 HydrophobicContact CG1-CG 3.72Å; V318-R414 WeakPolarHBondContact CA-O 3.44Å; V318-V415 HydrophobicContact CG1-CG2 4.22Å
319E97.9Very high95.6Very high13 Ų1336.2 Ų36.26%0.06119%0.186CC..EExtended strand (participates in β ladder)trans-97.5143.8178.1-166.3-176.9-133.900111.3M53 V372 P412 R413 R414M53-E319 HydrophobicContact CE-CB 3.58Å; M53-E319 HydrophobicContact CE-CG 4.34Å; M53-E319 HydrophobicContact CG-CB 4.48Å; M53-E319 HydrophobicContact SD-CB 4.05Å; E319-V372 HydrophobicContact CB-CG2 4.33Å; E319-V372 HydrophobicContact CG-CG2 4.07Å; E319-P412 CarbonylContact O-C 3.43Å; E319-P412 WeakPolarHBondContact O-CA 3.21Å; E319-R413 HydrophobicContact CB-CB 4.5Å; E319-R413 WeakPolarHBondContact O-CB 3.46Å; E319-R413 PolarHBondContact O-N 2.99Å; E319-R413 WeakPolarHBondContact OE2-CD 3.4Å; E319-R413 IonicContact OE2-NE 3.72Å; E319-R414 HydrophobicContact CB-CB 4.21Å; E319-R414 PolarHBondContact N-O 2.88Å; E319-R414 IonicContact OE1-CZ 3.88Å; E319-R414 IonicContact OE1-NH2 3.68Å; E319-R414 PolarHBondContact OE1-NH2 3.13Å; E319-R414 IonicContact OE2-CZ 3.42Å; E319-R414 IonicContact OE2-NE 3.37Å; E319-R414 PolarHBondContact OE2-NE 3.47Å; E319-R414 IonicContact OE2-NH2 3.41Å; E319-R414 PolarHBondContact OE2-NH2 3.29Å
320F97.4Very high95.4Very high10 Ų1039.1 Ų39.14%0.04420%0.198CC..  trans-124.7154.9172.7-59.6-89.1000111.6V318 Q322 W324 W325 H371 L373 I401 I410 P412V318-F320 HydrophobicContact CB-CE2 4.01Å; V318-F320 HydrophobicContact CB-CZ 4.34Å; V318-F320 HydrophobicContact CG1-CD2 4.44Å; V318-F320 HydrophobicContact CG1-CE1 4.28Å; V318-F320 HydrophobicContact CG1-CE2 3.48Å; V318-F320 VanDerWaalsContact CG1-CE2 3.48Å; V318-F320 HydrophobicContact CG1-CZ 3.38Å; F320-Q322 VanDerWaalsContact C-N 3.33Å; F320-Q322 VanDerWaalsContact CB-O 3.27Å; F320-Q322 WeakPolarHBondContact CB-O 3.23Å; F320-W324 AromaticContact CD1-CD1 3.87Å; F320-W324 AromaticContact CD1-NE1 3.8Å; F320-W324 AromaticContact CD2-NE1 3.93Å; F320-W324 AromaticContact CE1-CD1 3.89Å; F320-W324 AromaticContact CE1-NE1 3.41Å; F320-W324 AromaticContact CE2-NE1 3.54Å; F320-W324 AromaticContact CZ-NE1 3.26Å; F320-W324 VanDerWaalsContact CZ-NE1 3.26Å; F320-W325 AromaticContact CD2-CH2 3.74Å; F320-W325 HydrophobicContact CD2-CH2 3.74Å; F320-W325 AromaticContact CD2-CZ3 3.56Å; F320-W325 HydrophobicContact CD2-CZ3 3.56Å; F320-W325 HydrophobicContact CE2-CH2 4.32Å; F320-W325 AromaticContact CE2-CZ3 3.86Å; F320-W325 HydrophobicContact CE2-CZ3 3.86Å; F320-W325 HydrophobicContact CG-CZ3 4.29Å; F320-H371 HydrophobicContact CB-CB 4.31Å; F320-H371 PolarHBondContact N-O 3.47Å; F320-L373 HydrophobicContact CE2-CD1 3.88Å; F320-L373 HydrophobicContact CE2-CG 4.12Å; F320-I401 HydrophobicContact CZ-CD1 3.76Å; F320-I410 HydrophobicContact CD1-CG2 4.2Å; F320-I410 HydrophobicContact CE1-CG2 3.59Å; F320-I410 HydrophobicContact CZ-CG2 4.45Å; F320-P412 HydrophobicContact CE1-CB 4.21Å; F320-P412 HydrophobicContact CE1-CG 3.91Å; F320-P412 HydrophobicContact CZ-CB 4.5Å; F320-P412 HydrophobicContact CZ-CG 4.16Å
321D95.4Very high95.2Very high96 Ų9637.8 Ų37.851%0.51319%0.193SC..SBendtrans-72.3-30.1170.7-74.2-49.5000112.1H371 R413D321-H371 PolarHBondContact O-CD2 3.19Å; D321-R413 VanDerWaalsContact OD1-CD 3.29Å; D321-R413 WeakPolarHBondContact OD1-CD 3.35Å; D321-R413 IonicContact OD1-CZ 3.71Å; D321-R413 IonicContact OD1-NE 3.5Å; D321-R413 IonicContact OD1-NH1 2.83Å; D321-R413 PolarHBondContact OD1-NH1 3.41Å
322Q94.4Very high95.3Very high144 Ų14437.4 Ų37.467%0.67319%0.189SC*.SBendtrans-141.2144.6175.3-67-62.8-60.100109.3F320F320-Q322 VanDerWaalsContact C-N 3.33Å; F320-Q322 VanDerWaalsContact CB-O 3.27Å; F320-Q322 WeakPolarHBondContact CB-O 3.23Å
323P95.1Very high95.3Very high42 Ų4238.8 Ų38.827%0.27319%0.194SC..  trans-70.3144.7176.231.9-31.4000109.6W325 H371P323-W325 HydrophobicContact CB-CD2 4.06Å; P323-W325 HydrophobicContact CB-CE3 4.44Å; P323-W325 HydrophobicContact CB-CH2 4.31Å; P323-W325 HydrophobicContact CB-CZ2 3.9Å; P323-H371 HydrophobicContact CB-CB 4.49Å
324W94.6Very high95.3Very high58 Ų5838.6 Ų38.622%0.2219%0.193CC..  trans-110.51.2172.352.6-98.9000112.4F109 F320 I332 L373 I401 T405 I410F109-W324 HydrophobicContact CE2-CZ3 4.29Å; F109-W324 HydrophobicContact CZ-CZ3 4.3Å; F320-W324 AromaticContact CD1-CD1 3.87Å; F320-W324 AromaticContact CD1-NE1 3.8Å; F320-W324 AromaticContact CD2-NE1 3.93Å; F320-W324 AromaticContact CE1-CD1 3.89Å; F320-W324 AromaticContact CE1-NE1 3.41Å; F320-W324 AromaticContact CE2-NE1 3.54Å; F320-W324 AromaticContact CZ-NE1 3.26Å; F320-W324 VanDerWaalsContact CZ-NE1 3.26Å; W324-I332 HydrophobicContact CH2-CD1 3.51Å; W324-I332 HydrophobicContact CH2-CG2 4.49Å; W324-I332 HydrophobicContact CZ2-CD1 4.3Å; W324-I332 HydrophobicContact CZ3-CD1 3.82Å; W324-L373 HydrophobicContact CH2-CD1 4.13Å; W324-L373 HydrophobicContact CZ2-CD1 3.44Å; W324-L373 VanDerWaalsContact CZ2-CD1 3.44Å; W324-I401 HydrophobicContact CH2-CG2 4.25Å; W324-I401 HydrophobicContact CZ2-CD1 4.43Å; W324-I401 HydrophobicContact CZ2-CG2 3.62Å; W324-T405 HydrophobicContact CD2-CG2 4.4Å; W324-T405 HydrophobicContact CE3-CG2 3.78Å; W324-T405 HydrophobicContact CH2-CG2 4.01Å; W324-T405 HydrophobicContact CZ3-CG2 3.58Å; W324-I410 HydrophobicContact CB-CD1 3.94Å; W324-I410 HydrophobicContact CB-CG1 4.43Å; W324-I410 HydrophobicContact CD2-CD1 3.96Å; W324-I410 HydrophobicContact CE3-CD1 4.46Å; W324-I410 HydrophobicContact CG-CD1 3.71Å; W324-I410 HydrophobicContact CG-CG1 4.36Å; W324-I410 HydrophobicContact CG-CG2 4.43Å
325W93.8Very high95.3Very high20 Ų2038.6 Ų38.68%0.07619%0.193CC..SBendtrans-105.8165.8176.657.486.2000110.6F320 P323 C329 I332 V362 H371 L373F320-W325 AromaticContact CD2-CH2 3.74Å; F320-W325 HydrophobicContact CD2-CH2 3.74Å; F320-W325 AromaticContact CD2-CZ3 3.56Å; F320-W325 HydrophobicContact CD2-CZ3 3.56Å; F320-W325 HydrophobicContact CE2-CH2 4.32Å; F320-W325 AromaticContact CE2-CZ3 3.86Å; F320-W325 HydrophobicContact CE2-CZ3 3.86Å; F320-W325 HydrophobicContact CG-CZ3 4.29Å; P323-W325 HydrophobicContact CB-CD2 4.06Å; P323-W325 HydrophobicContact CB-CE3 4.44Å; P323-W325 HydrophobicContact CB-CH2 4.31Å; P323-W325 HydrophobicContact CB-CZ2 3.9Å; W325-C329 HydrophobicContact CB-CB 4.33Å; W325-I332 HydrophobicContact CB-CD1 4.11Å; W325-I332 HydrophobicContact CG-CD1 4.47Å; W325-V362 HydrophobicContact CG-CG2 4.48Å; W325-V362 HydrophobicContact CZ2-CG1 4.29Å; W325-H371 HydrophobicContact CH2-CB 4.04Å; W325-H371 HydrophobicContact CZ2-CB 4.17Å; W325-L373 HydrophobicContact CD2-CD2 4.11Å; W325-L373 HydrophobicContact CE3-CD1 4.09Å; W325-L373 HydrophobicContact CE3-CD2 3.98Å; W325-L373 HydrophobicContact CE3-CG 4.19Å; W325-L373 HydrophobicContact CH2-CD1 4.43Å; W325-L373 HydrophobicContact CH2-CD2 3.85Å; W325-L373 HydrophobicContact CH2-CG 3.78Å; W325-L373 HydrophobicContact CZ2-CD2 3.98Å; W325-L373 HydrophobicContact CZ2-CG 4.4Å; W325-L373 HydrophobicContact CZ3-CD1 3.8Å; W325-L373 HydrophobicContact CZ3-CD2 3.85Å; W325-L373 HydrophobicContact CZ3-CG 3.66Å
326D90.6Very high95.2Very high72 Ų7238.8 Ų38.839%0.38519%0.193SC..  trans-71.2150.4-179.6-49.7-56.9000112N107 K115 D328 C329N107-D326 PolarHBondContact ND2-OD2 2.93Å; K115-D326 IonicContact NZ-OD2 2.64Å; K115-D326 PolarHBondContact NZ-OD2 2.82Å; D326-D328 VanDerWaalsContact C-N 3.26Å; D326-D328 WeakPolarHBondContact CB-OD1 3.39Å; D326-D328 PolarHBondContact O-N 2.82Å; D326-C329 HydrophobicContact CB-CB 4.4Å; D326-C329 WeakPolarHBondContact O-CB 3.36Å; D326-C329 PolarHBondContact O-N 2.78Å
327D88.1Confident95.1Very high149 Ų14941.9 Ų41.980%0.79721%0.208SC*.THydrogen-bonded Turntrans-61.1-32.8-176.2-71.7-25.8000113.5K364D327-K364 PolarHBondContact O-NZ 3.44Å
328D89.8Confident94.9Very high96 Ų9646.9 Ų46.951%0.51324%0.235SC..THydrogen-bonded Turntrans-82.6-12.5177.866-21.3000113.2D326 E330 K364D326-D328 VanDerWaalsContact C-N 3.26Å; D326-D328 WeakPolarHBondContact CB-OD1 3.39Å; D326-D328 PolarHBondContact O-N 2.82Å; D328-E330 PolarHBondContact O-N 3.3Å; D328-K364 PolarHBondContact O-NZ 3.01Å
329C92.4Very high94.8Very high0 Ų047.5 Ų47.50%024%0.237CC..  trans-59.3127.6-179.4-178.20000112.3N107 W325 D326 I332 V362 K364N107-C329 PolarHBondContact ND2-SG 3.13Å; W325-C329 HydrophobicContact CB-CB 4.33Å; D326-C329 HydrophobicContact CB-CB 4.4Å; D326-C329 WeakPolarHBondContact O-CB 3.36Å; D326-C329 PolarHBondContact O-N 2.78Å; C329-I332 VanDerWaalsContact SG-CG1 3.59Å; C329-V362 WeakPolarHBondContact O-CG2 3.41Å; C329-K364 WeakPolarHBondContact O-CE 3.27Å; C329-K364 PolarHBondContact O-NZ 2.67Å; C329-K364 VanDerWaalsContact O-NZ 3.07Å
330E93.3Very high94.6Very high66 Ų6648.6 Ų48.631%0.30825%0.247SC..  trans-113-32.6177.8-65.4-177.7129.900112.3W104 V105 D328 T361 V362 K364W104-E330 VanDerWaalsContact CA-OE2 3.25Å; W104-E330 WeakPolarHBondContact CA-OE2 3.41Å; W104-E330 HydrophobicContact CB-CB 4.03Å; W104-E330 HydrophobicContact CG-CB 4.25Å; V105-E330 HydrophobicContact CB-CG 4.37Å; V105-E330 PolarHBondContact N-OE2 3.21Å; V105-E330 PolarHBondContact O-N 2.99Å; V105-E330 VanDerWaalsContact O-N 3.08Å; D328-E330 PolarHBondContact O-N 3.3Å; E330-T361 WeakPolarHBondContact O-CA 3.07Å; E330-V362 PolarHBondContact O-N 3.13Å; E330-K364 HydrophobicContact CG-CD 4.43Å
331V95.2Very high94.4Very high0 Ų053.6 Ų53.60%027%0.273CS..EExtended strand (participates in β ladder)trans-138.3144.217767.30000111W104 V105 P106 N107 Y333 F360 T361W104-V331 HydrophobicContact CB-CB 4.11Å; W104-V331 HydrophobicContact CB-CG1 3.59Å; W104-V331 HydrophobicContact CD2-CB 4.29Å; W104-V331 HydrophobicContact CE3-CB 3.82Å; W104-V331 HydrophobicContact CE3-CG1 4.11Å; W104-V331 HydrophobicContact CE3-CG2 3.94Å; W104-V331 HydrophobicContact CG-CB 4.45Å; W104-V331 HydrophobicContact CG-CG1 4.39Å; W104-V331 HydrophobicContact CZ3-CG2 4.34Å; V105-V331 PolarHBondContact O-N 2.78Å; P106-V331 CarbonylContact C-O 3.58Å; P106-V331 WeakPolarHBondContact CA-O 3.44Å; P106-V331 HydrophobicContact CB-CG1 3.79Å; N107-V331 PolarHBondContact N-O 3.1Å; V331-Y333 HydrophobicContact CB-CE2 4.46Å; V331-Y333 HydrophobicContact CG1-CD2 4.21Å; V331-Y333 HydrophobicContact CG1-CE2 3.54Å; V331-Y333 HydrophobicContact CG2-CD2 4.48Å; V331-Y333 HydrophobicContact CG2-CE1 4.15Å; V331-Y333 HydrophobicContact CG2-CE2 4.04Å; V331-F360 CarbonylContact C-O 3.57Å; V331-F360 WeakPolarHBondContact CA-O 3.27Å; V331-T361 HydrophobicContact CG2-CG2 4.36Å
332I96.8Very high94.4Very high0 Ų049.2 Ų49.20%025%0.25CC..EExtended strand (participates in β ladder)trans-119118.8176.5-60.3177.1000107.6N107 F109 W324 W325 C329 L334 G359 F360 L373N107-I332 HydrophobicContact CB-CG1 4.42Å; N107-I332 CarbonylContact O-C 3.58Å; N107-I332 VanDerWaalsContact O-CA 3.26Å; N107-I332 WeakPolarHBondContact O-CA 3.49Å; F109-I332 HydrophobicContact CD2-CG2 3.67Å; F109-I332 HydrophobicContact CE2-CG2 3.9Å; W324-I332 HydrophobicContact CH2-CD1 3.51Å; W324-I332 HydrophobicContact CH2-CG2 4.49Å; W324-I332 HydrophobicContact CZ2-CD1 4.3Å; W324-I332 HydrophobicContact CZ3-CD1 3.82Å; W325-I332 HydrophobicContact CB-CD1 4.11Å; W325-I332 HydrophobicContact CG-CD1 4.47Å; C329-I332 VanDerWaalsContact SG-CG1 3.59Å; I332-L334 HydrophobicContact CG2-CD2 4.27Å; I332-G359 CarbonylContact O-C 3.56Å; I332-G359 WeakPolarHBondContact O-CA 3.22Å; I332-F360 HydrophobicContact CB-CB 4.4Å; I332-F360 PolarHBondContact N-O 2.84Å; I332-F360 PolarHBondContact O-N 3.4Å; I332-L373 HydrophobicContact CD1-CD1 4.22Å; I332-L373 HydrophobicContact CD1-CD2 4.1Å
333Y97.2Very high94.3Very high31 Ų3144.5 Ų44.512%0.12223%0.231CC..EExtended strand (participates in β ladder)trans-101138.6175.8-68.6-70.5000111.2P106 N107 W108 F109 T182 L183 V186 V331 F358P106-Y333 HydrophobicContact CB-CD2 3.93Å; P106-Y333 HydrophobicContact CB-CE2 3.75Å; N107-Y333 PolarHBondContact O-N 2.98Å; W108-Y333 AromaticContact CD1-CD2 3.65Å; W108-Y333 AromaticContact CD1-CG 3.92Å; W108-Y333 AromaticContact NE1-CD2 3.42Å; F109-Y333 PolarHBondContact N-O 2.84Å; T182-Y333 HydrophobicContact CG2-CD1 4.24Å; L183-Y333 HydrophobicContact CD2-CE1 4.43Å; V186-Y333 HydrophobicContact CG2-CD1 4.46Å; V186-Y333 HydrophobicContact CG2-CE1 3.84Å; V331-Y333 HydrophobicContact CB-CE2 4.46Å; V331-Y333 HydrophobicContact CG1-CD2 4.21Å; V331-Y333 HydrophobicContact CG1-CE2 3.54Å; V331-Y333 HydrophobicContact CG2-CD2 4.48Å; V331-Y333 HydrophobicContact CG2-CE1 4.15Å; V331-Y333 HydrophobicContact CG2-CE2 4.04Å; Y333-F358 HydrophobicContact CD1-CD2 4.02Å; Y333-F358 HydrophobicContact CD1-CE2 4.47Å; Y333-F358 HydrophobicContact CE1-CD2 4.07Å; Y333-F358 HydrophobicContact CE1-CE2 4.16Å
334L97.8Very high94.2Very high5 Ų542.7 Ų42.73%0.02622%0.219CC..EExtended strand (participates in β ladder)trans-108.8101.2-179.6-56179.4000109.9T182 I332 L357 F358 F360 L400 F404T182-L334 PolarHBondContact OG1-O 3.03Å; I332-L334 HydrophobicContact CG2-CD2 4.27Å; L334-L357 HydrophobicContact CD1-CD2 4.46Å; L334-F358 PolarHBondContact N-O 3.17Å; L334-F360 HydrophobicContact CD1-CE2 3.97Å; L334-L400 HydrophobicContact CD1-CD1 4.32Å; L334-L400 HydrophobicContact CD1-CD2 3.5Å; L334-L400 VanDerWaalsContact CD1-CD2 3.5Å; L334-L400 HydrophobicContact CD1-CG 3.93Å; L334-F404 HydrophobicContact CB-CD1 3.83Å; L334-F404 HydrophobicContact CB-CE1 3.59Å; L334-F404 HydrophobicContact CB-CE2 4.4Å; L334-F404 HydrophobicContact CB-CG 4.33Å; L334-F404 HydrophobicContact CB-CZ 3.89Å; L334-F404 HydrophobicContact CD2-CB 3.77Å; L334-F404 HydrophobicContact CD2-CD1 3.7Å; L334-F404 HydrophobicContact CD2-CD2 4.32Å; L334-F404 HydrophobicContact CD2-CE1 4.37Å; L334-F404 HydrophobicContact CD2-CG 3.66Å; L334-F404 HydrophobicContact CG-CD1 4.31Å; L334-F404 HydrophobicContact CG-CG 4.43Å
335V97.9Very high94Very high0 Ų043.9 Ų43.90%023%0.227CC..EExtended strand (participates in β ladder)trans-89.7106.9-178.5-175.30000111.1F109 S110 S111 L116 L179 E337 F404F109-V335 PolarHBondContact O-N 3.21Å; S110-V335 CarbonylContact C-O 3.57Å; S110-V335 WeakPolarHBondContact CA-O 3.37Å; S111-V335 PolarHBondContact N-O 2.86Å; L116-V335 HydrophobicContact CD1-CB 4.02Å; L116-V335 HydrophobicContact CD1-CG1 4.32Å; L116-V335 HydrophobicContact CD1-CG2 3.97Å; L179-V335 HydrophobicContact CB-CG1 4.48Å; L179-V335 HydrophobicContact CB-CG2 4.3Å; L179-V335 HydrophobicContact CD1-CG2 3.91Å; V335-E337 PolarHBondContact O-N 2.94Å; V335-F404 WeakPolarHBondContact O-CE1 3.38Å
336W97.3Very high93.8Very high13 Ų1343.6 Ų43.65%0.04923%0.228CC..  trans-77.9105.7172.9-69.698000110.7S178 D338 E339 K355 L400 R403 F404S178-W336 VanDerWaalsContact CB-O 3.27Å; S178-W336 WeakPolarHBondContact CB-O 3.37Å; S178-W336 PolarHBondContact OG-O 2.93Å; W336-D338 PolarHBondContact O-N 2.91Å; W336-D338 VanDerWaalsContact O-N 3.09Å; W336-E339 HydrophobicContact CB-CB 4.09Å; W336-E339 HydrophobicContact CB-CG 3.77Å; W336-E339 WeakPolarHBondContact CB-OE2 3.27Å; W336-E339 WeakPolarHBondContact O-CB 3.4Å; W336-E339 PolarHBondContact O-N 3.37Å; W336-K355 HydrophobicContact CD2-CD 4.47Å; W336-K355 VanDerWaalsContact CD2-CE 3.41Å; W336-K355 HydrophobicContact CD2-CG 4.3Å; W336-K355 VanDerWaalsContact CE3-CE 3.47Å; W336-K355 HydrophobicContact CH2-CG 4.13Å; W336-K355 HydrophobicContact CZ2-CB 4.34Å; W336-K355 HydrophobicContact CZ2-CG 3.83Å; W336-K355 HydrophobicContact CZ3-CG 4.46Å; W336-L400 HydrophobicContact CH2-CD1 3.96Å; W336-L400 HydrophobicContact CZ2-CD1 3.44Å; W336-L400 VanDerWaalsContact CZ2-CD1 3.44Å; W336-R403 VanDerWaalsContact CZ3-CZ 3.4Å; W336-F404 HydrophobicContact CD2-CE2 4.1Å; W336-F404 AromaticContact CD2-CZ 3.58Å; W336-F404 HydrophobicContact CD2-CZ 3.58Å; W336-F404 AromaticContact CE2-CE2 3.71Å; W336-F404 AromaticContact CE2-CZ 3.51Å; W336-F404 HydrophobicContact CE3-CE2 4.27Å; W336-F404 AromaticContact CE3-CZ 3.99Å; W336-F404 HydrophobicContact CE3-CZ 3.99Å; W336-F404 HydrophobicContact CG-CZ 4.01Å; W336-F404 AromaticContact CH2-CE2 3.76Å; W336-F404 HydrophobicContact CH2-CE2 3.76Å; W336-F404 HydrophobicContact CH2-CZ 4.26Å; W336-F404 AromaticContact CZ2-CE2 3.54Å; W336-F404 HydrophobicContact CZ2-CE2 3.54Å; W336-F404 AromaticContact CZ2-CZ 3.87Å; W336-F404 HydrophobicContact CZ2-CZ 3.87Å; W336-F404 HydrophobicContact CZ3-CE2 4.13Å; W336-F404 HydrophobicContact CZ3-CZ 4.32Å; W336-F404 AromaticContact NE1-CZ 3.82Å
337E95.7Very high93.7Very high65 Ų6546.1 Ų46.130%0.30425%0.251SS..THydrogen-bonded Turntrans-67-12.6-174.9-66.4164.3116.700113.6S111 S112 V335 E339S111-E337 PolarHBondContact OG-OE2 3.31Å; S112-E337 WeakPolarHBondContact CB-OE2 3.4Å; S112-E337 PolarHBondContact N-OE2 2.85Å; S112-E337 VanDerWaalsContact OG-CD 3.31Å; S112-E337 PolarHBondContact OG-OE1 2.94Å; S112-E337 VanDerWaalsContact OG-OE1 3.12Å; S112-E337 PolarHBondContact OG-OE2 3.46Å; V335-E337 PolarHBondContact O-N 2.94Å; E337-E339 VanDerWaalsContact C-N 3.34Å
338D94.8Very high94Very high105 Ų10541.7 Ų41.756%0.56123%0.227SC*.THydrogen-bonded Turntrans-918.9174.968.8-29.9000113.4W336 K355W336-D338 PolarHBondContact O-N 2.91Å; W336-D338 VanDerWaalsContact O-N 3.09Å; D338-K355 IonicContact OD1-NZ 3.65Å; D338-K355 PolarHBondContact OD1-NZ 3.15Å; D338-K355 IonicContact OD2-NZ 3.94Å; D338-K355 PolarHBondContact OD2-NZ 3.01Å
339E95.4Very high94.3Very high13 Ų1338.7 Ų38.76%0.06121%0.212CC..  trans-11840.6-175.8-69.6-173.9162.300112.9S181 K185 W336 E337 D341 V343 K355S181-E339 WeakPolarHBondContact CB-O 3.38Å; S181-E339 PolarHBondContact OG-O 2.85Å; K185-E339 IonicContact NZ-OE1 2.91Å; K185-E339 PolarHBondContact NZ-OE1 3.05Å; K185-E339 IonicContact NZ-OE2 3.48Å; K185-E339 PolarHBondContact NZ-OE2 2.98Å; W336-E339 HydrophobicContact CB-CB 4.09Å; W336-E339 HydrophobicContact CB-CG 3.77Å; W336-E339 WeakPolarHBondContact CB-OE2 3.27Å; W336-E339 WeakPolarHBondContact O-CB 3.4Å; W336-E339 PolarHBondContact O-N 3.37Å; E337-E339 VanDerWaalsContact C-N 3.34Å; E339-D341 PolarHBondContact O-N 2.84Å; E339-V343 HydrophobicContact CB-CG2 3.59Å; E339-V343 HydrophobicContact CG-CG2 3.63Å; E339-K355 WeakPolarHBondContact OE1-CE 3.47Å; E339-K355 IonicContact OE1-NZ 3.95Å; E339-K355 PolarHBondContact OE1-NZ 2.57Å; E339-K355 VanDerWaalsContact OE1-NZ 3.12Å
340S93.1Very high94.4Very high36 Ų3645.9 Ų45.925%0.25225%0.246SC..THydrogen-bonded Turntrans-72.8-4.5-179.958.60000114.9L177 L342L177-S340 VanDerWaalsContact CB-O 3.32Å; L177-S340 WeakPolarHBondContact CB-O 3.36Å; S340-L342 VanDerWaalsContact C-N 3.27Å; S340-L342 PolarHBondContact O-N 3.15Å
341D94Very high94.4Very high114 Ų11452.2 Ų52.261%0.6127%0.267SS*.THydrogen-bonded Turntrans-88.314.9-175.7-67.8-33.9000114.4R158 E339 V343R158-D341 PolarHBondContact NH2-O 3.23Å; E339-D341 PolarHBondContact O-N 2.84Å; D341-V343 HydrophobicContact CB-CG1 4.3Å
342L95.4Very high94.5Very high4 Ų455.6 Ų55.62%0.02129%0.285CS..THydrogen-bonded Turntrans63.356.8179.6-52.3175.9000112R154 V157 R158 L177 I180 S181 L184 S340R154-L342 HydrophobicContact CB-CB 4.17Å; R154-L342 HydrophobicContact CB-CD1 3.78Å; R154-L342 VanDerWaalsContact CD-O 3.26Å; R154-L342 WeakPolarHBondContact CD-O 3.4Å; R154-L342 HydrophobicContact CG-CB 3.88Å; R154-L342 HydrophobicContact CG-CD1 4.36Å; V157-L342 HydrophobicContact CB-CD1 4.18Å; V157-L342 HydrophobicContact CG1-CD1 3.75Å; V157-L342 HydrophobicContact CG1-CD2 3.96Å; R158-L342 HydrophobicContact CG-CD1 3.72Å; L177-L342 HydrophobicContact CB-CD2 4.28Å; L177-L342 HydrophobicContact CD2-CD2 3.87Å; L177-L342 HydrophobicContact CD2-CG 4.48Å; I180-L342 HydrophobicContact CB-CD2 3.74Å; I180-L342 HydrophobicContact CG2-CD2 3.57Å; S181-L342 WeakPolarHBondContact OG-CA 3.31Å; S181-L342 PolarHBondContact OG-N 2.89Å; L184-L342 HydrophobicContact CD1-CB 4.13Å; L184-L342 WeakPolarHBondContact CD1-O 3.27Å; S340-L342 VanDerWaalsContact C-N 3.27Å; S340-L342 PolarHBondContact O-N 3.15Å
343V92.4Very high94.5Very high46 Ų4656.1 Ų56.128%0.27929%0.286SS..  trans-100.2135-173.7-62.60000112S181 E339 D341S181-V343 WeakPolarHBondContact CB-O 3.36Å; S181-V343 PolarHBondContact OG-N 3.23Å; E339-V343 HydrophobicContact CB-CG2 3.59Å; E339-V343 HydrophobicContact CG-CG2 3.63Å; D341-V343 HydrophobicContact CB-CG1 4.3Å
344D92.4Very high94.5Very high4 Ų455.7 Ų55.72%0.02129%0.286CS..  trans-116.7-14.3168.964.3-10.2000112.8L184 T195 L196 K356L184-D344 HydrophobicContact CB-CB 3.83Å; T195-D344 WeakPolarHBondContact CA-OD2 3.16Å; T195-D344 PolarHBondContact OG1-OD1 2.99Å; T195-D344 PolarHBondContact OG1-OD2 2.74Å; L196-D344 PolarHBondContact N-OD2 3.07Å; D344-K356 WeakPolarHBondContact O-CD 3.47Å; D344-K356 PolarHBondContact O-NZ 3.08Å
345Q90.8Very high94.5Very high83 Ų8356.3 Ų56.339%0.38829%0.289SS..  trans-96.6143.6179.6-73159.568.900111.8T195 D197T195-Q345 HydrophobicContact CG2-CG 4.37Å; T195-Q345 PolarHBondContact OG1-NE2 3.24Å; D197-Q345 PolarHBondContact OD2-NE2 2.66Å
346V90.6Very high94.5Very high14 Ų1456.3 Ų56.39%0.08529%0.289CS..  trans-100.4117.4170.6-179.50000109.7L352 K355 K356 E381V346-L352 HydrophobicContact CG1-CB 3.5Å; V346-L352 VanDerWaalsContact CG1-CB 3.5Å; V346-L352 WeakPolarHBondContact CG1-O 3.47Å; V346-K355 HydrophobicContact CG2-CB 4.24Å; V346-K356 HydrophobicContact CG2-CB 4.15Å; V346-E381 HydrophobicContact CB-CG 3.91Å; V346-E381 VanDerWaalsContact CB-OE1 3.26Å; V346-E381 WeakPolarHBondContact CB-OE1 3.38Å; V346-E381 HydrophobicContact CG2-CG 3.86Å; V346-E381 VanDerWaalsContact CG2-OE1 3.3Å; V346-E381 WeakPolarHBondContact CG2-OE1 3.48Å; V346-E381 PolarHBondContact N-OE1 3.31Å
347S87.4Confident94.5Very high124 Ų12455.7 Ų55.787%0.86729%0.286SS*.SBendtrans-68.7-34.8-175.853.60000114.3
348D94.2Very high94.5Very high56 Ų5653 Ų5330%0.29927%0.274SS..  trans-121.484.7175.9-175.8-15.4000109E350 R351 L352D348-E350 VanDerWaalsContact C-N 3.28Å; D348-E350 PolarHBondContact O-N 3.47Å; D348-E350 PolarHBondContact OD1-N 3.43Å; D348-R351 PolarHBondContact O-N 3.02Å; D348-R351 PolarHBondContact OD1-N 3.32Å; D348-R351 WeakPolarHBondContact OD2-CD 3.4Å; D348-R351 WeakPolarHBondContact OD2-CG 3.35Å; D348-R351 IonicContact OD2-NE 2.85Å; D348-L352 HydrophobicContact CB-CD1 4.48Å; D348-L352 WeakPolarHBondContact O-CA 3.42Å; D348-L352 VanDerWaalsContact O-CB 3.31Å; D348-L352 WeakPolarHBondContact O-CB 3.39Å; D348-L352 PolarHBondContact O-N 2.91Å
349V95.6Very high94.6Very high34 Ų3448 Ų4821%0.20625%0.247CC..Hα-helixtrans-58.2-41.3-177176.10000111.2R351 L352 W353 E381 F384V349-R351 PolarHBondContact O-N 3.32Å; V349-L352 PolarHBondContact O-N 3.16Å; V349-W353 HydrophobicContact CG1-CB 4.16Å; V349-W353 WeakPolarHBondContact O-CA 3.47Å; V349-W353 WeakPolarHBondContact O-CB 3.31Å; V349-W353 PolarHBondContact O-N 3.27Å; V349-E381 HydrophobicContact CG1-CG 4.25Å; V349-E381 HydrophobicContact CG2-CG 4.22Å; V349-F384 HydrophobicContact CG1-CB 3.56Å; V349-F384 HydrophobicContact CG1-CD1 4.06Å; V349-F384 HydrophobicContact CG1-CG 3.8Å
350E94.4Very high94.7Very high150 Ų15047.4 Ų47.470%0.70124%0.244SC*.Hα-helixtrans-59.1-37.2-176.2-66.1-175.6-175.500112.4D348 F384D348-E350 VanDerWaalsContact C-N 3.28Å; D348-E350 PolarHBondContact O-N 3.47Å; D348-E350 PolarHBondContact OD1-N 3.43Å; E350-F384 HydrophobicContact CB-CE2 4.41Å; E350-F384 HydrophobicContact CB-CZ 4.14Å; E350-F384 HydrophobicContact CG-CE2 3.99Å; E350-F384 HydrophobicContact CG-CZ 4.23Å
351R94.6Very high94.8Very high200 Ų20046.2 Ų46.276%0.75524%0.235SC*.Hα-helixtrans-95-31.8-178.7-61-171.4-173.7-174.2-1.9113.9D348 V349D348-R351 PolarHBondContact O-N 3.02Å; D348-R351 PolarHBondContact OD1-N 3.32Å; D348-R351 WeakPolarHBondContact OD2-CD 3.4Å; D348-R351 WeakPolarHBondContact OD2-CG 3.35Å; D348-R351 IonicContact OD2-NE 2.85Å; V349-R351 PolarHBondContact O-N 3.32Å
352L96.4Very high94.9Very high71 Ų7141.4 Ų41.437%0.37221%0.21SC..Hα-helixtrans-122.69.7-164.1-59176.6000113.7V346 D348 V349 I354 K355V346-L352 HydrophobicContact CG1-CB 3.5Å; V346-L352 VanDerWaalsContact CG1-CB 3.5Å; V346-L352 WeakPolarHBondContact CG1-O 3.47Å; D348-L352 HydrophobicContact CB-CD1 4.48Å; D348-L352 WeakPolarHBondContact O-CA 3.42Å; D348-L352 VanDerWaalsContact O-CB 3.31Å; D348-L352 WeakPolarHBondContact O-CB 3.39Å; D348-L352 PolarHBondContact O-N 2.91Å; V349-L352 PolarHBondContact O-N 3.16Å; L352-I354 PolarHBondContact O-N 2.9Å; L352-K355 HydrophobicContact CB-CD 4.26Å; L352-K355 HydrophobicContact CB-CG 4.25Å; L352-K355 HydrophobicContact CD1-CD 4.5Å; L352-K355 HydrophobicContact CD2-CD 4.34Å; L352-K355 WeakPolarHBondContact O-CB 3.39Å; L352-K355 WeakPolarHBondContact O-CG 3.36Å; L352-K355 PolarHBondContact O-N 2.93Å
353W97.6Very high94.8Very high10 Ų1042.1 Ų42.14%0.03821%0.214CC..G310 helixtrans-45.7-38-179.968-87.4000113.5I316 V349 K355 K356 I377 E381 F384 M385 L388 V393I316-W353 HydrophobicContact CD1-CZ3 4.27Å; V349-W353 HydrophobicContact CG1-CB 4.16Å; V349-W353 WeakPolarHBondContact O-CA 3.47Å; V349-W353 WeakPolarHBondContact O-CB 3.31Å; V349-W353 PolarHBondContact O-N 3.27Å; W353-K355 PolarHBondContact O-N 3.26Å; W353-K355 VanDerWaalsContact O-N 3.16Å; W353-K356 VanDerWaalsContact O-CB 3.28Å; W353-K356 WeakPolarHBondContact O-CB 3.11Å; W353-K356 PolarHBondContact O-N 3.26Å; W353-I377 HydrophobicContact CE3-CD1 3.53Å; W353-I377 HydrophobicContact CZ3-CD1 3.79Å; W353-E381 HydrophobicContact CB-CB 3.98Å; W353-E381 HydrophobicContact CB-CG 4.37Å; W353-F384 HydrophobicContact CB-CD1 3.87Å; W353-F384 HydrophobicContact CB-CE1 4.48Å; W353-F384 AromaticContact CD1-CD1 3.76Å; W353-F384 AromaticContact CD1-CE1 3.58Å; W353-F384 AromaticContact CG-CD1 3.83Å; W353-F384 HydrophobicContact CG-CD1 3.83Å; W353-F384 HydrophobicContact CG-CE1 4.13Å; W353-M385 HydrophobicContact CD2-CB 4.39Å; W353-M385 HydrophobicContact CE3-CB 3.83Å; W353-M385 HydrophobicContact CE3-CG 4.1Å; W353-M385 HydrophobicContact CH2-CB 4.35Å; W353-M385 HydrophobicContact CH2-CG 3.74Å; W353-M385 HydrophobicContact CH2-SD 4.18Å; W353-M385 HydrophobicContact CZ2-CG 4.45Å; W353-M385 HydrophobicContact CZ3-CB 3.82Å; W353-M385 HydrophobicContact CZ3-CG 3.54Å; W353-M385 HydrophobicContact CZ3-SD 3.76Å; W353-L388 HydrophobicContact CD2-CD1 4.49Å; W353-L388 HydrophobicContact CZ2-CD1 3.9Å; W353-V393 HydrophobicContact CH2-CG1 4.3Å; W353-V393 HydrophobicContact CH2-CG2 4.47Å
354I97.6Very high94.7Very high22 Ų2243.1 Ų43.111%0.11321%0.214CC..G310 helixtrans-63.2-21.9-178.3-163.868.7000112.7L352 K356 L357 V397 L400L352-I354 PolarHBondContact O-N 2.9Å; I354-K356 PolarHBondContact O-N 3.3Å; I354-L357 HydrophobicContact CD1-CB 4.49Å; I354-L357 HydrophobicContact CD1-CD2 4.35Å; I354-L357 VanDerWaalsContact O-CB 3.31Å; I354-L357 WeakPolarHBondContact O-CB 3.35Å; I354-L357 PolarHBondContact O-N 3.1Å; I354-L357 VanDerWaalsContact O-N 3.14Å; I354-V397 HydrophobicContact CD1-CG2 4.2Å; I354-L400 HydrophobicContact CD1-CD2 4.07Å; I354-L400 HydrophobicContact CG1-CB 4.22Å; I354-L400 HydrophobicContact CG1-CD1 4.11Å; I354-L400 HydrophobicContact CG1-CD2 3.82Å; I354-L400 HydrophobicContact CG1-CG 4.29Å
355K96.9Very high94.7Very high18 Ų1845.2 Ų45.28%0.07823%0.228CC..G310 helixtrans-63.9-22.1174.2-62.4-163.883.4-176.80112.1K185 W336 D338 E339 V346 L352 W353 L357K185-K355 WeakPolarHBondContact CE-O 3.48Å; K185-K355 PolarHBondContact NZ-O 2.98Å; W336-K355 HydrophobicContact CD2-CD 4.47Å; W336-K355 VanDerWaalsContact CD2-CE 3.41Å; W336-K355 HydrophobicContact CD2-CG 4.3Å; W336-K355 VanDerWaalsContact CE3-CE 3.47Å; W336-K355 HydrophobicContact CH2-CG 4.13Å; W336-K355 HydrophobicContact CZ2-CB 4.34Å; W336-K355 HydrophobicContact CZ2-CG 3.83Å; W336-K355 HydrophobicContact CZ3-CG 4.46Å; D338-K355 IonicContact OD1-NZ 3.65Å; D338-K355 PolarHBondContact OD1-NZ 3.15Å; D338-K355 IonicContact OD2-NZ 3.94Å; D338-K355 PolarHBondContact OD2-NZ 3.01Å; E339-K355 WeakPolarHBondContact OE1-CE 3.47Å; E339-K355 IonicContact OE1-NZ 3.95Å; E339-K355 PolarHBondContact OE1-NZ 2.57Å; E339-K355 VanDerWaalsContact OE1-NZ 3.12Å; V346-K355 HydrophobicContact CG2-CB 4.24Å; L352-K355 HydrophobicContact CB-CD 4.26Å; L352-K355 HydrophobicContact CB-CG 4.25Å; L352-K355 HydrophobicContact CD1-CD 4.5Å; L352-K355 HydrophobicContact CD2-CD 4.34Å; L352-K355 WeakPolarHBondContact O-CB 3.39Å; L352-K355 WeakPolarHBondContact O-CG 3.36Å; L352-K355 PolarHBondContact O-N 2.93Å; W353-K355 PolarHBondContact O-N 3.26Å; W353-K355 VanDerWaalsContact O-N 3.16Å; K355-L357 VanDerWaalsContact C-N 3.29Å
356K97.4Very high94.7Very high0 Ų043.6 Ų43.60%022%0.224CC..G310 helixtrans-71.6-22.9175.9-170.563.1161.7-179.10113.1K185 C188 H194 D344 V346 W353 I354 F358 I377 A378 E381K185-K356 HydrophobicContact CG-CD 4.26Å; C188-K356 PolarHBondContact SG-NZ 3.44Å; H194-K356 PolarHBondContact O-NZ 3.42Å; D344-K356 WeakPolarHBondContact O-CD 3.47Å; D344-K356 PolarHBondContact O-NZ 3.08Å; V346-K356 HydrophobicContact CG2-CB 4.15Å; W353-K356 VanDerWaalsContact O-CB 3.28Å; W353-K356 WeakPolarHBondContact O-CB 3.11Å; W353-K356 PolarHBondContact O-N 3.26Å; I354-K356 PolarHBondContact O-N 3.3Å; K356-F358 PolarHBondContact O-N 3.19Å; K356-F358 VanDerWaalsContact O-N 3.11Å; K356-I377 HydrophobicContact CB-CD1 4.22Å; K356-I377 HydrophobicContact CB-CG1 4.08Å; K356-I377 HydrophobicContact CG-CG1 4.01Å; K356-A378 VanDerWaalsContact CE-O 3.22Å; K356-A378 WeakPolarHBondContact CE-O 3.49Å; K356-A378 WeakPolarHBondContact CG-O 3.36Å; K356-E381 HydrophobicContact CB-CB 3.64Å; K356-E381 HydrophobicContact CB-CG 3.65Å; K356-E381 HydrophobicContact CG-CB 3.9Å; K356-E381 HydrophobicContact CG-CG 3.98Å
357L97.3Very high94.7Very high0 Ų051.3 Ų51.30%026%0.259CS..  trans-67107.4173.8-168.183.2000109.1I316 L334 I354 K355 G359 F360 W376 I377 L400I316-L357 HydrophobicContact CD1-CD1 3.97Å; L334-L357 HydrophobicContact CD1-CD2 4.46Å; I354-L357 HydrophobicContact CD1-CB 4.49Å; I354-L357 HydrophobicContact CD1-CD2 4.35Å; I354-L357 VanDerWaalsContact O-CB 3.31Å; I354-L357 WeakPolarHBondContact O-CB 3.35Å; I354-L357 PolarHBondContact O-N 3.1Å; I354-L357 VanDerWaalsContact O-N 3.14Å; K355-L357 VanDerWaalsContact C-N 3.29Å; L357-G359 VanDerWaalsContact C-N 3.29Å; L357-G359 PolarHBondContact O-N 3.12Å; L357-F360 HydrophobicContact CD2-CE1 3.95Å; L357-F360 HydrophobicContact CD2-CE2 4.09Å; L357-F360 HydrophobicContact CD2-CZ 3.53Å; L357-W376 WeakPolarHBondContact CD1-O 3.44Å; L357-I377 HydrophobicContact CD1-CB 4.08Å; L357-L400 HydrophobicContact CD2-CD2 3.44Å; L357-L400 VanDerWaalsContact CD2-CD2 3.44Å
358F95.7Very high94.8Very high9 Ų949 Ų494%0.03923%0.231CC..  trans-74.4-22.6-17772.2-105.7000113T182 K185 V186 C189 Y333 L334 K356 W376T182-F358 HydrophobicContact CG2-CB 3.94Å; T182-F358 WeakPolarHBondContact CG2-O 3.42Å; K185-F358 HydrophobicContact CB-CB 3.93Å; V186-F358 HydrophobicContact CB-CD1 4.39Å; V186-F358 HydrophobicContact CB-CE1 4.48Å; V186-F358 HydrophobicContact CB-CG 4.47Å; V186-F358 HydrophobicContact CG2-CB 4.05Å; V186-F358 HydrophobicContact CG2-CD1 3.93Å; V186-F358 HydrophobicContact CG2-CD2 3.47Å; V186-F358 VanDerWaalsContact CG2-CD2 3.47Å; V186-F358 HydrophobicContact CG2-CE1 4.18Å; V186-F358 HydrophobicContact CG2-CE2 3.81Å; V186-F358 HydrophobicContact CG2-CG 3.56Å; V186-F358 HydrophobicContact CG2-CZ 4.15Å; C189-F358 HydrophobicContact CB-CD1 4.4Å; C189-F358 HydrophobicContact CB-CE1 3.93Å; Y333-F358 HydrophobicContact CD1-CD2 4.02Å; Y333-F358 HydrophobicContact CD1-CE2 4.47Å; Y333-F358 HydrophobicContact CE1-CD2 4.07Å; Y333-F358 HydrophobicContact CE1-CE2 4.16Å; L334-F358 PolarHBondContact N-O 3.17Å; K356-F358 PolarHBondContact O-N 3.19Å; K356-F358 VanDerWaalsContact O-N 3.11Å; F358-W376 HydrophobicContact CD1-CB 4.29Å; F358-W376 HydrophobicContact CE1-CB 3.48Å; F358-W376 VanDerWaalsContact CE1-CB 3.48Å; F358-W376 HydrophobicContact CE1-CG 4.16Å; F358-W376 HydrophobicContact CZ-CB 3.93Å; F358-W376 AromaticContact CZ-CD1 3.96Å; F358-W376 HydrophobicContact CZ-CG 4.15Å
359G96.8Very high94.8Very high0 Ų047.2 Ų47.20%022%0.221CC..EExtended strand (participates in β ladder)trans161.8-169.5-16500000114.7I332 L357 G375I332-G359 CarbonylContact O-C 3.56Å; I332-G359 WeakPolarHBondContact O-CA 3.22Å; L357-G359 VanDerWaalsContact C-N 3.29Å; L357-G359 PolarHBondContact O-N 3.12Å; G359-G375 VanDerWaalsContact O-CA 3.29Å; G359-G375 WeakPolarHBondContact O-CA 3.42Å
360F97.7Very high94.7Very high1 Ų146.5 Ų46.50%0.00422%0.22CC..EExtended strand (participates in β ladder)trans-134.5138.9-179.3-59.1-86.9000110.7V318 V331 I332 L334 L357 L373 C374 G375 V397 L400 I401V318-F360 HydrophobicContact CG2-CE1 3.9Å; V331-F360 CarbonylContact C-O 3.57Å; V331-F360 WeakPolarHBondContact CA-O 3.27Å; I332-F360 HydrophobicContact CB-CB 4.4Å; I332-F360 PolarHBondContact N-O 2.84Å; I332-F360 PolarHBondContact O-N 3.4Å; L334-F360 HydrophobicContact CD1-CE2 3.97Å; L357-F360 HydrophobicContact CD2-CE1 3.95Å; L357-F360 HydrophobicContact CD2-CE2 4.09Å; L357-F360 HydrophobicContact CD2-CZ 3.53Å; F360-L373 HydrophobicContact CB-CB 3.96Å; F360-L373 HydrophobicContact CB-CD1 4.15Å; F360-L373 HydrophobicContact CB-CD2 4.29Å; F360-L373 HydrophobicContact CB-CG 4.37Å; F360-L373 HydrophobicContact CD1-CB 3.84Å; F360-L373 HydrophobicContact CD1-CD1 4.37Å; F360-L373 HydrophobicContact CD2-CD1 4.35Å; F360-L373 HydrophobicContact CG-CB 4.09Å; F360-L373 HydrophobicContact CG-CD1 4.05Å; F360-C374 CarbonylContact C-O 3.57Å; F360-C374 WeakPolarHBondContact CA-O 3.34Å; F360-G375 VanDerWaalsContact CD1-CA 3.45Å; F360-V397 HydrophobicContact CZ-CG1 4.4Å; F360-L400 HydrophobicContact CZ-CD2 4.46Å; F360-I401 HydrophobicContact CE2-CD1 4.33Å; F360-I401 HydrophobicContact CE2-CG1 4.04Å; F360-I401 HydrophobicContact CZ-CD1 4.05Å; F360-I401 HydrophobicContact CZ-CG1 4.08Å
361T95.9Very high94.7Very high10 Ų1041.6 Ų41.66%0.06120%0.197CC..EExtended strand (participates in β ladder)trans-90.3143.5160.855.80000109.7W104 E330 V331 L373 C374 W376W104-T361 HydrophobicContact CE3-CG2 4.41Å; W104-T361 HydrophobicContact CH2-CG2 3.79Å; W104-T361 HydrophobicContact CZ2-CG2 4.24Å; W104-T361 HydrophobicContact CZ3-CG2 3.87Å; E330-T361 WeakPolarHBondContact O-CA 3.07Å; V331-T361 HydrophobicContact CG2-CG2 4.36Å; T361-L373 CarbonylContact O-C 3.53Å; T361-L373 WeakPolarHBondContact O-CA 3.3Å; T361-C374 PolarHBondContact N-O 3.18Å; T361-C374 PolarHBondContact O-N 2.79Å; T361-C374 PolarHBondContact OG1-O 3.3Å; T361-W376 PolarHBondContact OG1-NE1 3.21Å
362V95.6Very high94.9Very high13 Ų1332 Ų328%0.07916%0.161CC..EExtended strand (participates in β ladder)trans-84.3126.1173.6-1770000108.2W325 C329 E330 K364 L373W325-V362 HydrophobicContact CG-CG2 4.48Å; W325-V362 HydrophobicContact CZ2-CG1 4.29Å; C329-V362 WeakPolarHBondContact O-CG2 3.41Å; E330-V362 PolarHBondContact O-N 3.13Å; V362-K364 HydrophobicContact CG1-CG 4.18Å; V362-K364 PolarHBondContact O-N 3.14Å; V362-L373 HydrophobicContact CB-CD2 4.39Å; V362-L373 HydrophobicContact CG2-CD2 3.75Å
363L93.9Very high94.9Very high19 Ų1928.7 Ų28.710%0.09914%0.143CC..  trans-75.1111.8174.6-64.8-171.1000109.8I58 F317 Y369 V372 C374I58-L363 HydrophobicContact CG2-CD1 4Å; F317-L363 HydrophobicContact CD1-CD1 4.37Å; F317-L363 HydrophobicContact CE1-CD1 4.38Å; L363-Y369 HydrophobicContact CB-CD2 4.18Å; L363-Y369 HydrophobicContact CB-CG 3.95Å; L363-V372 HydrophobicContact CB-CB 4.37Å; L363-V372 HydrophobicContact CD1-CB 4.06Å; L363-V372 HydrophobicContact CD1-CG1 3.52Å; L363-V372 HydrophobicContact CG-CB 4.39Å; L363-V372 HydrophobicContact CG-CG1 4.05Å; L363-V372 PolarHBondContact N-O 3.36Å; L363-C374 HydrophobicContact CD2-CB 4.13Å; L363-C374 HydrophobicContact CG-CB 4.45Å
364K90.4Very high94.9Very high67 Ų6728.2 Ų28.229%0.29114%0.141SC..SBendtrans-114.9146.2179.4-69.5-163.4-175.2-175.60112.3D327 D328 C329 E330 V362 Y369D327-K364 PolarHBondContact O-NZ 3.44Å; D328-K364 PolarHBondContact O-NZ 3.01Å; C329-K364 WeakPolarHBondContact O-CE 3.27Å; C329-K364 PolarHBondContact O-NZ 2.67Å; C329-K364 VanDerWaalsContact O-NZ 3.07Å; E330-K364 HydrophobicContact CG-CD 4.43Å; V362-K364 HydrophobicContact CG1-CG 4.18Å; V362-K364 PolarHBondContact O-N 3.14Å; K364-Y369 VanDerWaalsContact O-CD2 3.29Å; K364-Y369 WeakPolarHBondContact O-CD2 3.29Å; K364-Y369 WeakPolarHBondContact O-CE2 3.43Å
365P91.2Very high94.9Very high48 Ų4827.1 Ų27.131%0.31214%0.136SC..  cis-82.4151.54.232.9-35.3000113.2E367 R368 Y369P365-E367 VanDerWaalsContact C-N 3.25Å; P365-E367 WeakPolarHBondContact CB-OE2 3.28Å; P365-E367 PolarHBondContact O-N 2.78Å; P365-R368 HydrophobicContact CG-CB 3.84Å; P365-R368 WeakPolarHBondContact O-CB 3.3Å; P365-R368 PolarHBondContact O-N 2.96Å; P365-Y369 PolarHBondContact O-N 3.49Å
366T90.9Very high94.9Very high49 Ų4927.2 Ų27.230%0.30114%0.136SC..Hα-helixtrans-60.1-33.9-176.4-58.20000112.3R368 G370 H371T366-R368 PolarHBondContact O-N 3.43Å; T366-G370 WeakPolarHBondContact O-CA 3.42Å; T366-G370 PolarHBondContact O-N 2.93Å; T366-H371 VanDerWaalsContact CG2-CE1 3.49Å; T366-H371 WeakPolarHBondContact CG2-CE1 3.39Å; T366-H371 WeakPolarHBondContact CG2-ND1 3.1Å
367E90.9Very high94.9Very high177 Ų17727.2 Ų27.283%0.82714%0.136SC*.Hα-helixtrans-63.9-25.3177.6-59.176.7-169.400112.2P365P365-E367 VanDerWaalsContact C-N 3.25Å; P365-E367 WeakPolarHBondContact CB-OE2 3.28Å; P365-E367 PolarHBondContact O-N 2.78Å
368R90.4Very high94.9Very high75 Ų7527.2 Ų27.228%0.28314%0.136SC..Hα-helixtrans-94.5-42.8-178.9-175.3-174.2-64.9170.1-3.2112.2D85 P218 P365 T366D85-R368 IonicContact OD1-CZ 2.8Å; D85-R368 IonicContact OD1-NH1 3.31Å; D85-R368 IonicContact OD1-NH2 2.72Å; D85-R368 PolarHBondContact OD1-NH2 2.92Å; D85-R368 IonicContact OD2-CZ 2.65Å; D85-R368 IonicContact OD2-NH1 2.72Å; D85-R368 PolarHBondContact OD2-NH1 3.1Å; D85-R368 IonicContact OD2-NH2 3.05Å; D85-R368 PolarHBondContact OD2-NH2 2.92Å; P218-R368 VanDerWaalsContact CB-CZ 3.47Å; P218-R368 VanDerWaalsContact CB-NH1 3.33Å; P365-R368 HydrophobicContact CG-CB 3.84Å; P365-R368 WeakPolarHBondContact O-CB 3.3Å; P365-R368 PolarHBondContact O-N 2.96Å; T366-R368 PolarHBondContact O-N 3.43Å
369Y92.5Very high94.9Very high19 Ų1926.9 Ų26.98%0.07514%0.135CC..Hα-helixtrans-108.9-5.7-170.7-59.4-66.1000114.2N56 I57 L363 K364 P365 V372N56-Y369 WeakPolarHBondContact CB-O 3.25Å; N56-Y369 VanDerWaalsContact CG-C 3.47Å; N56-Y369 PolarHBondContact ND2-O 3.19Å; I57-Y369 HydrophobicContact CB-CE1 4.48Å; I57-Y369 VanDerWaalsContact O-CD1 3.31Å; I57-Y369 WeakPolarHBondContact O-CD1 3.22Å; L363-Y369 HydrophobicContact CB-CD2 4.18Å; L363-Y369 HydrophobicContact CB-CG 3.95Å; K364-Y369 VanDerWaalsContact O-CD2 3.29Å; K364-Y369 WeakPolarHBondContact O-CD2 3.29Å; K364-Y369 WeakPolarHBondContact O-CE2 3.43Å; P365-Y369 PolarHBondContact O-N 3.49Å; Y369-V372 WeakPolarHBondContact O-CG2 3.42Å
370G93.6Very high94.9Very high18 Ų1831.5 Ų31.519%0.18616%0.156CC..  trans67.8-161.9-17400000112.6T366 V372T366-G370 WeakPolarHBondContact O-CA 3.42Å; T366-G370 PolarHBondContact O-N 2.93Å; G370-V372 VanDerWaalsContact C-N 3.3Å; G370-V372 PolarHBondContact O-N 3.37Å; G370-V372 VanDerWaalsContact O-N 3.07Å
371H96.3Very high94.9Very high47 Ų4731.4 Ų31.422%0.21816%0.156CC..SBendtrans-87.272.9178.7-47-51.6000110F320 D321 P323 W325 T366F320-H371 HydrophobicContact CB-CB 4.31Å; F320-H371 PolarHBondContact N-O 3.47Å; D321-H371 PolarHBondContact O-CD2 3.19Å; P323-H371 HydrophobicContact CB-CB 4.49Å; W325-H371 HydrophobicContact CH2-CB 4.04Å; W325-H371 HydrophobicContact CZ2-CB 4.17Å; T366-H371 VanDerWaalsContact CG2-CE1 3.49Å; T366-H371 WeakPolarHBondContact CG2-CE1 3.39Å; T366-H371 WeakPolarHBondContact CG2-ND1 3.1Å
372V97.1Very high95Very high0 Ų031 Ų310%015%0.153CC..EExtended strand (participates in β ladder)trans-118.4128.9-174.3176.80000111.6M53 F317 V318 E319 L363 Y369 G370M53-V372 HydrophobicContact CE-CB 3.97Å; M53-V372 HydrophobicContact CE-CG1 3.29Å; M53-V372 HydrophobicContact CE-CG2 3.39Å; F317-V372 HydrophobicContact CD1-CG1 4.35Å; V318-V372 WeakPolarHBondContact O-CA 3.19Å; E319-V372 HydrophobicContact CB-CG2 4.33Å; E319-V372 HydrophobicContact CG-CG2 4.07Å; L363-V372 HydrophobicContact CB-CB 4.37Å; L363-V372 HydrophobicContact CD1-CB 4.06Å; L363-V372 HydrophobicContact CD1-CG1 3.52Å; L363-V372 HydrophobicContact CG-CB 4.39Å; L363-V372 HydrophobicContact CG-CG1 4.05Å; L363-V372 PolarHBondContact N-O 3.36Å; Y369-V372 WeakPolarHBondContact O-CG2 3.42Å; G370-V372 VanDerWaalsContact C-N 3.3Å; G370-V372 PolarHBondContact O-N 3.37Å; G370-V372 VanDerWaalsContact O-N 3.07Å
373L97.6Very high95.1Very high0 Ų031.9 Ų31.90%016%0.157CC..EExtended strand (participates in β ladder)trans-99.9144.5168.3-64-175.4000110.6F317 V318 F320 W324 W325 I332 F360 T361 V362F317-L373 CarbonylContact C-O 3.5Å; F317-L373 VanDerWaalsContact CA-O 3.32Å; F317-L373 WeakPolarHBondContact CA-O 3.34Å; V318-L373 HydrophobicContact CB-CB 4.32Å; V318-L373 PolarHBondContact N-O 3.08Å; V318-L373 PolarHBondContact O-N 2.84Å; F320-L373 HydrophobicContact CE2-CD1 3.88Å; F320-L373 HydrophobicContact CE2-CG 4.12Å; W324-L373 HydrophobicContact CH2-CD1 4.13Å; W324-L373 HydrophobicContact CZ2-CD1 3.44Å; W324-L373 VanDerWaalsContact CZ2-CD1 3.44Å; W325-L373 HydrophobicContact CD2-CD2 4.11Å; W325-L373 HydrophobicContact CE3-CD1 4.09Å; W325-L373 HydrophobicContact CE3-CD2 3.98Å; W325-L373 HydrophobicContact CE3-CG 4.19Å; W325-L373 HydrophobicContact CH2-CD1 4.43Å; W325-L373 HydrophobicContact CH2-CD2 3.85Å; W325-L373 HydrophobicContact CH2-CG 3.78Å; W325-L373 HydrophobicContact CZ2-CD2 3.98Å; W325-L373 HydrophobicContact CZ2-CG 4.4Å; W325-L373 HydrophobicContact CZ3-CD1 3.8Å; W325-L373 HydrophobicContact CZ3-CD2 3.85Å; W325-L373 HydrophobicContact CZ3-CG 3.66Å; I332-L373 HydrophobicContact CD1-CD1 4.22Å; I332-L373 HydrophobicContact CD1-CD2 4.1Å; F360-L373 HydrophobicContact CB-CB 3.96Å; F360-L373 HydrophobicContact CB-CD1 4.15Å; F360-L373 HydrophobicContact CB-CD2 4.29Å; F360-L373 HydrophobicContact CB-CG 4.37Å; F360-L373 HydrophobicContact CD1-CB 3.84Å; F360-L373 HydrophobicContact CD1-CD1 4.37Å; F360-L373 HydrophobicContact CD2-CD1 4.35Å; F360-L373 HydrophobicContact CG-CB 4.09Å; F360-L373 HydrophobicContact CG-CD1 4.05Å; T361-L373 CarbonylContact O-C 3.53Å; T361-L373 WeakPolarHBondContact O-CA 3.3Å; V362-L373 HydrophobicContact CB-CD2 4.39Å; V362-L373 HydrophobicContact CG2-CD2 3.75Å
374C97.8Very high95.3Very high0 Ų033.3 Ų33.30%016%0.162CC..EExtended strand (participates in β ladder)trans-118.9103.9172.4179.10000109.6F317 F360 T361 L363 W376F317-C374 HydrophobicContact CD1-CB 4.09Å; F317-C374 HydrophobicContact CE1-CB 3.93Å; F360-C374 CarbonylContact C-O 3.57Å; F360-C374 WeakPolarHBondContact CA-O 3.34Å; T361-C374 PolarHBondContact N-O 3.18Å; T361-C374 PolarHBondContact O-N 2.79Å; T361-C374 PolarHBondContact OG1-O 3.3Å; L363-C374 HydrophobicContact CD2-CB 4.13Å; L363-C374 HydrophobicContact CG-CB 4.45Å; C374-W376 VanDerWaalsContact O-CD1 3.28Å; C374-W376 PolarHBondContact O-NE1 3.14Å
375G97.9Very high95.7Very high0 Ų030.1 Ų30.10%015%0.148CC..EExtended strand (participates in β ladder)trans-85.1149.7173.900000111.6K315 I316 G359 F360K315-G375 CarbonylContact C-O 3.33Å; K315-G375 VanDerWaalsContact CA-O 3.22Å; K315-G375 WeakPolarHBondContact CA-O 3.18Å; I316-G375 PolarHBondContact N-O 3.44Å; I316-G375 PolarHBondContact O-N 3.44Å; G359-G375 VanDerWaalsContact O-CA 3.29Å; G359-G375 WeakPolarHBondContact O-CA 3.42Å; F360-G375 VanDerWaalsContact CD1-CA 3.45Å
376W95.9Very high96Very high19 Ų1928.1 Ų28.17%0.07214%0.135CC..EExtended strand (participates in β ladder)trans-124.8128.4-174.7-61.285.3000110.7N63 W64 C189 K315 L357 F358 T361 C374N63-W376 HydrophobicContact CB-CH2 4.43Å; W64-W376 HydrophobicContact CE3-CH2 4.49Å; W64-W376 AromaticContact CH2-CE2 3.92Å; W64-W376 AromaticContact CH2-CH2 3.21Å; W64-W376 HydrophobicContact CH2-CH2 3.21Å; W64-W376 AromaticContact CH2-CZ2 3.08Å; W64-W376 HydrophobicContact CH2-CZ2 3.08Å; W64-W376 HydrophobicContact CH2-CZ3 4.18Å; W64-W376 HydrophobicContact CZ2-CH2 4.2Å; W64-W376 AromaticContact CZ2-CZ2 3.8Å; W64-W376 HydrophobicContact CZ2-CZ2 3.8Å; W64-W376 AromaticContact CZ3-CH2 3.37Å; W64-W376 HydrophobicContact CZ3-CH2 3.37Å; W64-W376 AromaticContact CZ3-CZ2 3.8Å; W64-W376 HydrophobicContact CZ3-CZ2 3.8Å; W64-W376 HydrophobicContact CZ3-CZ3 4.12Å; C189-W376 HydrophobicContact CB-CB 4.36Å; K315-W376 HydrophobicContact CD-CH2 3.89Å; K315-W376 HydrophobicContact CD-CZ2 4.27Å; K315-W376 HydrophobicContact CD-CZ3 4.04Å; K315-W376 VanDerWaalsContact CE-CZ3 3.4Å; K315-W376 HydrophobicContact CG-CD2 4.44Å; K315-W376 HydrophobicContact CG-CE3 3.98Å; K315-W376 HydrophobicContact CG-CH2 4.2Å; K315-W376 HydrophobicContact CG-CZ3 3.89Å; L357-W376 WeakPolarHBondContact CD1-O 3.44Å; F358-W376 HydrophobicContact CD1-CB 4.29Å; F358-W376 HydrophobicContact CE1-CB 3.48Å; F358-W376 VanDerWaalsContact CE1-CB 3.48Å; F358-W376 HydrophobicContact CE1-CG 4.16Å; F358-W376 HydrophobicContact CZ-CB 3.93Å; F358-W376 AromaticContact CZ-CD1 3.96Å; F358-W376 HydrophobicContact CZ-CG 4.15Å; T361-W376 PolarHBondContact OG1-NE1 3.21Å; C374-W376 VanDerWaalsContact O-CD1 3.28Å; C374-W376 PolarHBondContact O-NE1 3.14Å
377I97.6Very high96.4Very high0 Ų029.9 Ų29.90%015%0.145CC..EExtended strand (participates in β ladder)trans-140.4125.7-177.4-171.7170.8000110.9N313 N314 I316 W353 K356 L357 E381 S382 M385N313-I377 PolarHBondContact OD1-O 2.73Å; N314-I377 HydrophobicContact CB-CG2 4.2Å; N314-I377 PolarHBondContact N-O 3.01Å; N314-I377 PolarHBondContact O-N 3.28Å; I316-I377 HydrophobicContact CD1-CG2 4.39Å; I316-I377 HydrophobicContact CG1-CG2 4.41Å; W353-I377 HydrophobicContact CE3-CD1 3.53Å; W353-I377 HydrophobicContact CZ3-CD1 3.79Å; K356-I377 HydrophobicContact CB-CD1 4.22Å; K356-I377 HydrophobicContact CB-CG1 4.08Å; K356-I377 HydrophobicContact CG-CG1 4.01Å; L357-I377 HydrophobicContact CD1-CB 4.08Å; I377-E381 HydrophobicContact CD1-CB 4.11Å; I377-E381 HydrophobicContact CG1-CB 4.44Å; I377-S382 VanDerWaalsContact O-CB 3.25Å; I377-S382 WeakPolarHBondContact O-CB 3.48Å; I377-S382 PolarHBondContact O-OG 3.49Å; I377-M385 HydrophobicContact CG2-CE 3.77Å; I377-M385 HydrophobicContact CG2-SD 3.97Å
378A97.1Very high96.7Very high0 Ų022.7 Ų22.70%011%0.112CC..EExtended strand (participates in β ladder)trans-118.5162.2-178.100000113C188 C189 T312 N313 K356C188-A378 HydrophobicContact CB-CB 4.44Å; C188-A378 WeakPolarHBondContact O-CB 3.5Å; C189-A378 HydrophobicContact CB-CB 4.44Å; T312-A378 CarbonylContact O-C 3.46Å; T312-A378 WeakPolarHBondContact O-CA 3.35Å; T312-A378 WeakPolarHBondContact O-CB 3.33Å; N313-A378 HydrophobicContact CB-CB 4.36Å; K356-A378 VanDerWaalsContact CE-O 3.22Å; K356-A378 WeakPolarHBondContact CE-O 3.49Å; K356-A378 WeakPolarHBondContact CG-O 3.36Å
379G96.1Very high97.1Very high2 Ų222.7 Ų22.72%0.02112%0.122CC..SBendtrans83.2-162.4174.100000115.4H194 T312 E381 S382 E383H194-G379 VanDerWaalsContact CA-CA 3.47Å; T312-G379 PolarHBondContact O-N 2.99Å; G379-E381 PolarHBondContact O-N 2.94Å; G379-S382 WeakPolarHBondContact O-CA 3.17Å; G379-S382 WeakPolarHBondContact O-CB 3.1Å; G379-S382 PolarHBondContact O-N 3.39Å; G379-E383 PolarHBondContact O-N 3.27Å; G379-E383 VanDerWaalsContact O-N 3.11Å
380H96.9Very high97.3Very high97 Ų9728.2 Ų28.245%0.44915%0.149SC..Hα-helixtrans-60.2-27.2-179.7-62.5-42.5000113.4H194 S382 E383 F384H194-H380 AromaticContact CD2-CD2 3.29Å; H194-H380 PolarHBondContact CD2-CD2 3.03Å; H194-H380 AromaticContact CD2-NE2 3.84Å; H194-H380 AromaticContact CE1-CD2 3.71Å; H194-H380 AromaticContact CG-CD2 3.44Å; H194-H380 VanDerWaalsContact CG-CD2 3.44Å; H194-H380 AromaticContact CG-CG 3.95Å; H194-H380 AromaticContact ND1-CD2 3.71Å; H194-H380 AromaticContact ND1-CG 3.91Å; H194-H380 PolarHBondContact ND1-N 2.86Å; H194-H380 AromaticContact NE2-CD2 3.47Å; H194-H380 PolarHBondContact NE2-CD2 3.26Å; H380-S382 VanDerWaalsContact C-N 3.32Å; H380-E383 IonicContact CE1-OE2 3.63Å; H380-E383 IonicContact CG-OE2 2.74Å; H380-E383 IonicContact ND1-OE2 3.4Å; H380-E383 PolarHBondContact ND1-OE2 2.87Å; H380-E383 PolarHBondContact O-N 3Å; H380-F384 VanDerWaalsContact O-CB 3.31Å; H380-F384 WeakPolarHBondContact O-CB 3.35Å; H380-F384 PolarHBondContact O-N 3.37Å
381E97.8Very high97.5Very high0 Ų035.1 Ų35.10%018%0.176CC..Hα-helixtrans-66.9-36.8173.8-57.289.9160.200111.8H194 V346 V349 W353 K356 I377 G379 M385H194-E381 IonicContact CE1-OE1 3.01Å; H194-E381 PolarHBondContact CE1-OE1 3.46Å; H194-E381 VanDerWaalsContact CE1-OE1 3.29Å; H194-E381 IonicContact CE1-OE2 3.72Å; H194-E381 PolarHBondContact CE1-OE2 3.09Å; H194-E381 VanDerWaalsContact CE1-OE2 3.22Å; H194-E381 IonicContact ND1-OE1 3.51Å; H194-E381 IonicContact ND1-OE2 3.09Å; H194-E381 PolarHBondContact ND1-OE2 3.14Å; V346-E381 HydrophobicContact CB-CG 3.91Å; V346-E381 VanDerWaalsContact CB-OE1 3.26Å; V346-E381 WeakPolarHBondContact CB-OE1 3.38Å; V346-E381 HydrophobicContact CG2-CG 3.86Å; V346-E381 VanDerWaalsContact CG2-OE1 3.3Å; V346-E381 WeakPolarHBondContact CG2-OE1 3.48Å; V346-E381 PolarHBondContact N-OE1 3.31Å; V349-E381 HydrophobicContact CG1-CG 4.25Å; V349-E381 HydrophobicContact CG2-CG 4.22Å; W353-E381 HydrophobicContact CB-CB 3.98Å; W353-E381 HydrophobicContact CB-CG 4.37Å; K356-E381 HydrophobicContact CB-CB 3.64Å; K356-E381 HydrophobicContact CB-CG 3.65Å; K356-E381 HydrophobicContact CG-CB 3.9Å; K356-E381 HydrophobicContact CG-CG 3.98Å; I377-E381 HydrophobicContact CD1-CB 4.11Å; I377-E381 HydrophobicContact CG1-CB 4.44Å; G379-E381 PolarHBondContact O-N 2.94Å; E381-M385 WeakPolarHBondContact O-CB 3.45Å; E381-M385 PolarHBondContact O-N 3.45Å
382S97.4Very high97.5Very high0 Ų036.6 Ų36.60%019%0.185CC..Hα-helixtrans-66-45.8172.7-160.30000111N314 I377 G379 H380 M385 E386N314-S382 VanDerWaalsContact CB-OG 3.27Å; N314-S382 WeakPolarHBondContact CB-OG 3.25Å; N314-S382 PolarHBondContact N-OG 2.99Å; N314-S382 PolarHBondContact ND2-OG 3.24Å; I377-S382 VanDerWaalsContact O-CB 3.25Å; I377-S382 WeakPolarHBondContact O-CB 3.48Å; I377-S382 PolarHBondContact O-OG 3.49Å; G379-S382 WeakPolarHBondContact O-CA 3.17Å; G379-S382 WeakPolarHBondContact O-CB 3.1Å; G379-S382 PolarHBondContact O-N 3.39Å; H380-S382 VanDerWaalsContact C-N 3.32Å; S382-M385 WeakPolarHBondContact O-CB 3.42Å; S382-M385 PolarHBondContact O-N 3.46Å; S382-E386 WeakPolarHBondContact O-CG 3.49Å; S382-E386 PolarHBondContact O-N 3.32Å; S382-E386 VanDerWaalsContact O-N 3.16Å
383E97.9Very high97.6Very high33 Ų3336.7 Ų36.715%0.15419%0.186CC..Hα-helixtrans-62.9-43.3178.4-62.1171.3178.600111.4T312 G379 H380 E386 F421T312-E383 HydrophobicContact CG2-CG 3.9Å; T312-E383 PolarHBondContact OG1-OE1 2.88Å; G379-E383 PolarHBondContact O-N 3.27Å; G379-E383 VanDerWaalsContact O-N 3.11Å; H380-E383 IonicContact CE1-OE2 3.63Å; H380-E383 IonicContact CG-OE2 2.74Å; H380-E383 IonicContact ND1-OE2 3.4Å; H380-E383 PolarHBondContact ND1-OE2 2.87Å; H380-E383 PolarHBondContact O-N 3Å; E383-E386 WeakPolarHBondContact O-CB 3.43Å; E383-E386 PolarHBondContact O-N 2.99Å; E383-F421 HydrophobicContact CB-CD1 4.04Å; E383-F421 HydrophobicContact CB-CE1 4.35Å; E383-F421 HydrophobicContact CB-CG 4.2Å; E383-F421 HydrophobicContact CG-CB 3.93Å; E383-F421 HydrophobicContact CG-CD1 3.94Å; E383-F421 HydrophobicContact CG-CD2 3.71Å; E383-F421 HydrophobicContact CG-CE1 4.33Å; E383-F421 HydrophobicContact CG-CE2 4.12Å; E383-F421 HydrophobicContact CG-CG 3.6Å; E383-F421 HydrophobicContact CG-CZ 4.4Å; E383-F421 WeakPolarHBondContact OE1-CD2 3.38Å; E383-F421 WeakPolarHBondContact OE1-CE2 3.27Å
384F98.3Very high97.6Very high49 Ų4938.9 Ų38.922%0.21520%0.199CC..Hα-helixtrans-62.6-46174.4177.9-103.7000111.6V349 E350 W353 H380 E386 T387 L388V349-F384 HydrophobicContact CG1-CB 3.56Å; V349-F384 HydrophobicContact CG1-CD1 4.06Å; V349-F384 HydrophobicContact CG1-CG 3.8Å; E350-F384 HydrophobicContact CB-CE2 4.41Å; E350-F384 HydrophobicContact CB-CZ 4.14Å; E350-F384 HydrophobicContact CG-CE2 3.99Å; E350-F384 HydrophobicContact CG-CZ 4.23Å; W353-F384 HydrophobicContact CB-CD1 3.87Å; W353-F384 HydrophobicContact CB-CE1 4.48Å; W353-F384 AromaticContact CD1-CD1 3.76Å; W353-F384 AromaticContact CD1-CE1 3.58Å; W353-F384 AromaticContact CG-CD1 3.83Å; W353-F384 HydrophobicContact CG-CD1 3.83Å; W353-F384 HydrophobicContact CG-CE1 4.13Å; H380-F384 VanDerWaalsContact O-CB 3.31Å; H380-F384 WeakPolarHBondContact O-CB 3.35Å; H380-F384 PolarHBondContact O-N 3.37Å; F384-E386 PolarHBondContact O-N 3.09Å; F384-T387 WeakPolarHBondContact O-CB 3.47Å; F384-T387 PolarHBondContact O-N 3.5Å; F384-T387 PolarHBondContact O-OG1 3.2Å; F384-L388 HydrophobicContact CD1-CD1 4.3Å; F384-L388 HydrophobicContact CD1-CG 4.47Å; F384-L388 HydrophobicContact CE1-CD1 3.92Å; F384-L388 HydrophobicContact CE1-CD2 3.83Å; F384-L388 HydrophobicContact CE1-CG 4.1Å; F384-L388 HydrophobicContact CE2-CD2 4.49Å; F384-L388 HydrophobicContact CZ-CD2 3.75Å; F384-L388 HydrophobicContact CZ-CG 4.45Å
385M98.3Very high97.7Very high0 Ų045 Ų450%023%0.228CC..Hα-helixtrans-54.8-36.4176.8178.6-158.659.200112.1N314 I316 W353 I377 E381 S382 T387 L388 V393 R417N314-M385 HydrophobicContact CB-CE 3.75Å; I316-M385 HydrophobicContact CD1-SD 3.44Å; I316-M385 WeakPolarHBondContact CD1-SD 3.48Å; I316-M385 HydrophobicContact CG1-CE 4.42Å; I316-M385 HydrophobicContact CG1-SD 3.66Å; W353-M385 HydrophobicContact CD2-CB 4.39Å; W353-M385 HydrophobicContact CE3-CB 3.83Å; W353-M385 HydrophobicContact CE3-CG 4.1Å; W353-M385 HydrophobicContact CH2-CB 4.35Å; W353-M385 HydrophobicContact CH2-CG 3.74Å; W353-M385 HydrophobicContact CH2-SD 4.18Å; W353-M385 HydrophobicContact CZ2-CG 4.45Å; W353-M385 HydrophobicContact CZ3-CB 3.82Å; W353-M385 HydrophobicContact CZ3-CG 3.54Å; W353-M385 HydrophobicContact CZ3-SD 3.76Å; I377-M385 HydrophobicContact CG2-CE 3.77Å; I377-M385 HydrophobicContact CG2-SD 3.97Å; E381-M385 WeakPolarHBondContact O-CB 3.45Å; E381-M385 PolarHBondContact O-N 3.45Å; S382-M385 WeakPolarHBondContact O-CB 3.42Å; S382-M385 PolarHBondContact O-N 3.46Å; M385-T387 PolarHBondContact O-N 2.7Å; M385-L388 PolarHBondContact O-N 2.96Å; M385-V393 HydrophobicContact CG-CG1 4.46Å; M385-V393 HydrophobicContact CG-CG2 3.91Å; M385-V393 HydrophobicContact SD-CG1 4.5Å; M385-R417 HydrophobicContact CE-CB 4.18Å; M385-R417 PolarHBondContact O-NE 2.99Å; M385-R417 HydrophobicContact SD-CB 4.39Å
386E98.4Very high97.7Very high6 Ų646.4 Ų46.43%0.02824%0.238CC..Hα-helixtrans-59.6-31.6177.4-65.2-172.5-166.300112.8N314 S382 E383 F384 L388 R417 Q419 W420 F421 H422N314-E386 PolarHBondContact ND2-OE1 3.25Å; S382-E386 WeakPolarHBondContact O-CG 3.49Å; S382-E386 PolarHBondContact O-N 3.32Å; S382-E386 VanDerWaalsContact O-N 3.16Å; E383-E386 WeakPolarHBondContact O-CB 3.43Å; E383-E386 PolarHBondContact O-N 2.99Å; F384-E386 PolarHBondContact O-N 3.09Å; E386-L388 VanDerWaalsContact C-N 3.35Å; E386-R417 PolarHBondContact O-NH2 3.3Å; E386-Q419 HydrophobicContact CB-CB 4.43Å; E386-Q419 HydrophobicContact CB-CG 4.22Å; E386-Q419 HydrophobicContact CG-CB 3.99Å; E386-Q419 HydrophobicContact CG-CG 4Å; E386-Q419 VanDerWaalsContact OE1-C 3.25Å; E386-Q419 WeakPolarHBondContact OE1-CA 3.35Å; E386-W420 PolarHBondContact OE1-N 2.97Å; E386-F421 WeakPolarHBondContact OE1-CB 3.15Å; E386-F421 PolarHBondContact OE1-N 2.82Å; E386-F421 PolarHBondContact OE2-N 3.28Å; E386-H422 VanDerWaalsContact CB-ND1 3.3Å; E386-H422 WeakPolarHBondContact CB-ND1 3.49Å; E386-H422 WeakPolarHBondContact OE2-CB 3.46Å; E386-H422 IonicContact OE2-CE1 3.55Å; E386-H422 IonicContact OE2-CG 2.73Å; E386-H422 PolarHBondContact OE2-N 3.23Å; E386-H422 IonicContact OE2-ND1 3.79Å; E386-H422 PolarHBondContact OE2-ND1 3.05Å
387T97.9Very high97.8Very high85 Ų8545.5 Ų45.552%0.52123%0.234SC..Hα-helixtrans-76.8-18.5-179.174.50000113.9F384 M385F384-T387 WeakPolarHBondContact O-CB 3.47Å; F384-T387 PolarHBondContact O-N 3.5Å; F384-T387 PolarHBondContact O-OG1 3.2Å; M385-T387 PolarHBondContact O-N 2.7Å
388L98.4Very high97.9Very high27 Ų2746.3 Ų46.314%0.14124%0.239CC..SBendtrans-76.5146.3-173.9-64.1179.4000112.2W353 F384 M385 E386 V393 R417W353-L388 HydrophobicContact CD2-CD1 4.49Å; W353-L388 HydrophobicContact CZ2-CD1 3.9Å; F384-L388 HydrophobicContact CD1-CD1 4.3Å; F384-L388 HydrophobicContact CD1-CG 4.47Å; F384-L388 HydrophobicContact CE1-CD1 3.92Å; F384-L388 HydrophobicContact CE1-CD2 3.83Å; F384-L388 HydrophobicContact CE1-CG 4.1Å; F384-L388 HydrophobicContact CE2-CD2 4.49Å; F384-L388 HydrophobicContact CZ-CD2 3.75Å; F384-L388 HydrophobicContact CZ-CG 4.45Å; M385-L388 PolarHBondContact O-N 2.96Å; E386-L388 VanDerWaalsContact C-N 3.35Å; L388-V393 HydrophobicContact CB-CG2 3.85Å; L388-V393 HydrophobicContact CD1-CG2 4.22Å; L388-R417 PolarHBondContact O-NH1 3.27Å; L388-R417 PolarHBondContact O-NH2 3.4Å
389P97.8Very high97.9Very high74 Ų7451.7 Ų51.748%0.48126%0.264SS..  trans-53.4149.5166.1-25.634.1000112.9Q391 D392 V393P389-Q391 PolarHBondContact O-N 3.46Å; P389-D392 VanDerWaalsContact CD-OD2 3.3Å; P389-D392 WeakPolarHBondContact CD-OD2 3.34Å; P389-D392 WeakPolarHBondContact CG-OD2 3.44Å; P389-D392 PolarHBondContact O-N 3.48Å; P389-D392 VanDerWaalsContact O-N 3.15Å; P389-V393 PolarHBondContact O-N 2.89Å
390E96.7Very high98Very high136 Ų13651.7 Ų51.764%0.63626%0.264SS*.Hα-helixtrans-57.7-34.9178.6-68.2-176.5167.400112.7T394E390-T394 WeakPolarHBondContact O-CB 3.23Å; E390-T394 PolarHBondContact O-N 3.24Å; E390-T394 PolarHBondContact O-OG1 3.35Å
391Q97.5Very high98.1Very high162 Ų16247.2 Ų47.276%0.75724%0.243SC*.Hα-helixtrans-65.8-38.5178.9-66.2179.56.100112P389 T394 H395P389-Q391 PolarHBondContact O-N 3.46Å; Q391-T394 WeakPolarHBondContact O-CB 3.23Å; Q391-T394 PolarHBondContact O-N 3.14Å; Q391-H395 WeakPolarHBondContact O-CB 3.37Å; Q391-H395 PolarHBondContact O-N 3.21Å
392D98.1Very high98.1Very high78 Ų7851.3 Ų51.342%0.41726%0.258SS..Hα-helixtrans-71.4-38.7-179.1-66-14.6000111.3P389 H395 S396P389-D392 VanDerWaalsContact CD-OD2 3.3Å; P389-D392 WeakPolarHBondContact CD-OD2 3.34Å; P389-D392 WeakPolarHBondContact CG-OD2 3.44Å; P389-D392 PolarHBondContact O-N 3.48Å; P389-D392 VanDerWaalsContact O-N 3.15Å; D392-H395 PolarHBondContact O-N 2.98Å; D392-S396 WeakPolarHBondContact O-CB 3.49Å; D392-S396 PolarHBondContact O-N 2.75Å; D392-S396 PolarHBondContact O-OG 2.87Å
393V98.3Very high98.2Very high2 Ų256.2 Ų56.21%0.01228%0.277CS..Hα-helixtrans-64.3-45.2171.6176.70000110.5W353 M385 L388 P389 H395 S396 V397 V415W353-V393 HydrophobicContact CH2-CG1 4.3Å; W353-V393 HydrophobicContact CH2-CG2 4.47Å; M385-V393 HydrophobicContact CG-CG1 4.46Å; M385-V393 HydrophobicContact CG-CG2 3.91Å; M385-V393 HydrophobicContact SD-CG1 4.5Å; L388-V393 HydrophobicContact CB-CG2 3.85Å; L388-V393 HydrophobicContact CD1-CG2 4.22Å; P389-V393 PolarHBondContact O-N 2.89Å; V393-H395 VanDerWaalsContact C-N 3.33Å; V393-H395 PolarHBondContact O-N 2.91Å; V393-S396 PolarHBondContact O-N 2.96Å; V393-V397 HydrophobicContact CG1-CG2 4.24Å; V393-V397 WeakPolarHBondContact O-CB 3.45Å; V393-V397 VanDerWaalsContact O-CG2 3.25Å; V393-V397 WeakPolarHBondContact O-CG2 3.16Å; V393-V397 PolarHBondContact O-N 3.33Å; V393-V415 HydrophobicContact CG1-CG1 4.31Å
394T98.4Very high98.2Very high46 Ų4654.7 Ų54.728%0.28227%0.27SS..Hα-helixtrans-58.4-45.6176.5-59.40000111.5E390 Q391 T398 V415E390-T394 WeakPolarHBondContact O-CB 3.23Å; E390-T394 PolarHBondContact O-N 3.24Å; E390-T394 PolarHBondContact O-OG1 3.35Å; Q391-T394 WeakPolarHBondContact O-CB 3.23Å; Q391-T394 PolarHBondContact O-N 3.14Å; T394-T398 VanDerWaalsContact O-CB 3.29Å; T394-T398 WeakPolarHBondContact O-CB 3.25Å; T394-T398 PolarHBondContact O-N 3.07Å; T394-T398 PolarHBondContact O-OG1 3.33Å; T394-V415 HydrophobicContact CG2-CB 4.38Å; T394-V415 HydrophobicContact CG2-CG2 3.93Å
395H98.3Very high98.1Very high130 Ų13053.6 Ų53.660%0.60227%0.267SS*.Hα-helixtrans-61.9-48.5177.5-17979.5000111.6Q391 D392 V393 V397 T398 H399Q391-H395 WeakPolarHBondContact O-CB 3.37Å; Q391-H395 PolarHBondContact O-N 3.21Å; D392-H395 PolarHBondContact O-N 2.98Å; V393-H395 VanDerWaalsContact C-N 3.33Å; V393-H395 PolarHBondContact O-N 2.91Å; H395-V397 PolarHBondContact O-N 2.85Å; H395-T398 PolarHBondContact O-N 3.34Å; H395-H399 WeakPolarHBondContact O-CB 3.44Å; H395-H399 PolarHBondContact O-N 2.68Å
396S98.4Very high98Very high29 Ų2956 Ų5620%0.20329%0.291CS..Hα-helixtrans-61.4-45.8-178.7-57.30000111.9D392 V393 H399 L400D392-S396 WeakPolarHBondContact O-CB 3.49Å; D392-S396 PolarHBondContact O-N 2.75Å; D392-S396 PolarHBondContact O-OG 2.87Å; V393-S396 PolarHBondContact O-N 2.96Å; S396-H399 PolarHBondContact O-N 3.06Å; S396-L400 WeakPolarHBondContact O-CB 3.46Å; S396-L400 PolarHBondContact O-N 3.23Å
397V98.5Very high97.9Very high0 Ų058.5 Ų58.50%031%0.305CS..Hα-helixtrans-66.5-41.9177.9172.40000111.3I316 V318 I354 F360 V393 H395 L400 I401I316-V397 HydrophobicContact CD1-CG2 4.16Å; I316-V397 HydrophobicContact CG2-CG2 3.95Å; V318-V397 HydrophobicContact CG1-CG1 4.36Å; V318-V397 HydrophobicContact CG2-CG1 3.67Å; I354-V397 HydrophobicContact CD1-CG2 4.2Å; F360-V397 HydrophobicContact CZ-CG1 4.4Å; V393-V397 HydrophobicContact CG1-CG2 4.24Å; V393-V397 WeakPolarHBondContact O-CB 3.45Å; V393-V397 VanDerWaalsContact O-CG2 3.25Å; V393-V397 WeakPolarHBondContact O-CG2 3.16Å; V393-V397 PolarHBondContact O-N 3.33Å; H395-V397 PolarHBondContact O-N 2.85Å; V397-L400 WeakPolarHBondContact O-CB 3.23Å; V397-L400 PolarHBondContact O-N 2.95Å; V397-I401 HydrophobicContact CG1-CD1 3.98Å; V397-I401 WeakPolarHBondContact O-CG1 3.33Å; V397-I401 PolarHBondContact O-N 2.76Å
398T98.5Very high97.8Very high17 Ų1758.9 Ų58.910%0.10431%0.309CS..Hα-helixtrans-61.3-47.3176.2-58.60000110.9T394 H395 L400 I401 R402 P412T394-T398 VanDerWaalsContact O-CB 3.29Å; T394-T398 WeakPolarHBondContact O-CB 3.25Å; T394-T398 PolarHBondContact O-N 3.07Å; T394-T398 PolarHBondContact O-OG1 3.33Å; H395-T398 PolarHBondContact O-N 3.34Å; T398-L400 VanDerWaalsContact C-N 3.35Å; T398-L400 PolarHBondContact O-N 2.85Å; T398-I401 PolarHBondContact O-N 2.85Å; T398-R402 VanDerWaalsContact O-CG 3.27Å; T398-R402 WeakPolarHBondContact O-CG 2.9Å; T398-R402 PolarHBondContact O-N 2.81Å; T398-P412 VanDerWaalsContact OG1-CD 3.3Å; T398-P412 WeakPolarHBondContact OG1-CD 3.36Å; T398-P412 WeakPolarHBondContact OG1-CG 3.49Å
399H98.4Very high97.8Very high112 Ų11262.7 Ų62.752%0.51933%0.333SS..Hα-helixtrans-63.3-41.2177.9-178.8-94.3000111.8H395 S396 R402 R403H395-H399 WeakPolarHBondContact O-CB 3.44Å; H395-H399 PolarHBondContact O-N 2.68Å; S396-H399 PolarHBondContact O-N 3.06Å; H399-R402 PolarHBondContact O-N 3.07Å; H399-R403 VanDerWaalsContact O-CB 3.32Å; H399-R403 WeakPolarHBondContact O-CB 3.38Å; H399-R403 PolarHBondContact O-N 3.17Å
400L98.4Very high97.7Very high3 Ų359.9 Ų59.92%0.01631%0.314CS..Hα-helixtrans-56.8-53.8174.7-175.475.8000111.1L334 W336 I354 L357 F360 S396 V397 T398 R402 R403 F404L334-L400 HydrophobicContact CD1-CD1 4.32Å; L334-L400 HydrophobicContact CD1-CD2 3.5Å; L334-L400 VanDerWaalsContact CD1-CD2 3.5Å; L334-L400 HydrophobicContact CD1-CG 3.93Å; W336-L400 HydrophobicContact CH2-CD1 3.96Å; W336-L400 HydrophobicContact CZ2-CD1 3.44Å; W336-L400 VanDerWaalsContact CZ2-CD1 3.44Å; I354-L400 HydrophobicContact CD1-CD2 4.07Å; I354-L400 HydrophobicContact CG1-CB 4.22Å; I354-L400 HydrophobicContact CG1-CD1 4.11Å; I354-L400 HydrophobicContact CG1-CD2 3.82Å; I354-L400 HydrophobicContact CG1-CG 4.29Å; L357-L400 HydrophobicContact CD2-CD2 3.44Å; L357-L400 VanDerWaalsContact CD2-CD2 3.44Å; F360-L400 HydrophobicContact CZ-CD2 4.46Å; S396-L400 WeakPolarHBondContact O-CB 3.46Å; S396-L400 PolarHBondContact O-N 3.23Å; V397-L400 WeakPolarHBondContact O-CB 3.23Å; V397-L400 PolarHBondContact O-N 2.95Å; T398-L400 VanDerWaalsContact C-N 3.35Å; T398-L400 PolarHBondContact O-N 2.85Å; L400-R402 VanDerWaalsContact C-N 3.34Å; L400-R402 PolarHBondContact O-N 2.51Å; L400-R403 WeakPolarHBondContact O-CB 3.22Å; L400-R403 PolarHBondContact O-N 3.23Å; L400-F404 HydrophobicContact CD1-CD2 3.75Å; L400-F404 HydrophobicContact CD1-CE2 3.51Å; L400-F404 HydrophobicContact CG-CD2 4.14Å; L400-F404 HydrophobicContact CG-CE2 4.36Å; L400-F404 WeakPolarHBondContact O-CD2 3.15Å; L400-F404 PolarHBondContact O-N 3.29Å
401I98.3Very high97.7Very high2 Ų257.4 Ų57.41%0.0131%0.309CS..Hα-helixtrans-61.1-44.3-178.4-67173.8000110.7V318 F320 W324 F360 V397 T398 R403 F404 T405 I410V318-I401 HydrophobicContact CG1-CD1 4.16Å; F320-I401 HydrophobicContact CZ-CD1 3.76Å; W324-I401 HydrophobicContact CH2-CG2 4.25Å; W324-I401 HydrophobicContact CZ2-CD1 4.43Å; W324-I401 HydrophobicContact CZ2-CG2 3.62Å; F360-I401 HydrophobicContact CE2-CD1 4.33Å; F360-I401 HydrophobicContact CE2-CG1 4.04Å; F360-I401 HydrophobicContact CZ-CD1 4.05Å; F360-I401 HydrophobicContact CZ-CG1 4.08Å; V397-I401 HydrophobicContact CG1-CD1 3.98Å; V397-I401 WeakPolarHBondContact O-CG1 3.33Å; V397-I401 PolarHBondContact O-N 2.76Å; T398-I401 PolarHBondContact O-N 2.85Å; I401-R403 VanDerWaalsContact C-N 3.34Å; I401-R403 PolarHBondContact O-N 3.48Å; I401-F404 PolarHBondContact O-N 2.92Å; I401-T405 HydrophobicContact CG2-CG2 4.14Å; I401-T405 WeakPolarHBondContact O-CB 3.49Å; I401-T405 VanDerWaalsContact O-CG2 3.25Å; I401-T405 WeakPolarHBondContact O-CG2 3.07Å; I401-T405 PolarHBondContact O-N 3.49Å; I401-T405 PolarHBondContact O-OG1 2.92Å; I401-I410 HydrophobicContact CG2-CB 4.47Å; I401-I410 HydrophobicContact CG2-CD1 4.31Å; I401-I410 HydrophobicContact CG2-CG2 3.74Å
402R98.3Very high97.7Very high86 Ų8650.3 Ų50.333%0.32528%0.277SS..Hα-helixtrans-61.5-40.6176.7-70176.6177.1-178.5-2.9112.6T398 H399 L400 T405 G406 N407 P408 I410 T411T398-R402 VanDerWaalsContact O-CG 3.27Å; T398-R402 WeakPolarHBondContact O-CG 2.9Å; T398-R402 PolarHBondContact O-N 2.81Å; H399-R402 PolarHBondContact O-N 3.07Å; L400-R402 VanDerWaalsContact C-N 3.34Å; L400-R402 PolarHBondContact O-N 2.51Å; R402-T405 PolarHBondContact O-OG1 3.09Å; R402-G406 WeakPolarHBondContact O-CA 3.39Å; R402-G406 PolarHBondContact O-N 3.18Å; R402-N407 WeakPolarHBondContact CG-O 3.47Å; R402-N407 PolarHBondContact O-N 3.36Å; R402-P408 PolarHBondContact NE-O 2.84Å; R402-P408 VanDerWaalsContact NE-O 3.07Å; R402-I410 PolarHBondContact NE-O 3.27Å; R402-I410 PolarHBondContact NH2-O 3.07Å; R402-T411 PolarHBondContact NH2-OG1 2.81Å
403R98.1Very high97.6Very high104 Ų10453.6 Ų53.639%0.39228%0.283SS..Hα-helixtrans-62.2-50.1177.7174.7173179166.2-8.4111.2S111 G113 W336 H399 L400 I401 G406S111-R403 WeakPolarHBondContact O-CG 3.5Å; S111-R403 PolarHBondContact O-NE 3.1Å; S111-R403 PolarHBondContact OG-NH2 3.39Å; G113-R403 WeakPolarHBondContact CA-O 3.48Å; G113-R403 PolarHBondContact N-O 3.01Å; W336-R403 VanDerWaalsContact CZ3-CZ 3.4Å; H399-R403 VanDerWaalsContact O-CB 3.32Å; H399-R403 WeakPolarHBondContact O-CB 3.38Å; H399-R403 PolarHBondContact O-N 3.17Å; L400-R403 WeakPolarHBondContact O-CB 3.22Å; L400-R403 PolarHBondContact O-N 3.23Å; I401-R403 VanDerWaalsContact C-N 3.34Å; I401-R403 PolarHBondContact O-N 3.48Å; R403-G406 PolarHBondContact O-N 2.9Å
404F98.1Very high97.6Very high1 Ų157.2 Ų57.20%0.00430%0.296CS..Hα-helixtrans-76-28.3-174.4-84.4-93.8000113.6F109 S110 S111 G113 L334 V335 W336 L400 I401F109-F404 HydrophobicContact CB-CB 4.1Å; F109-F404 HydrophobicContact CB-CD1 4.14Å; F109-F404 WeakPolarHBondContact CB-O 3.41Å; F109-F404 WeakPolarHBondContact CD1-O 3.46Å; F109-F404 VanDerWaalsContact O-CD1 3.31Å; F109-F404 WeakPolarHBondContact O-CD1 3.41Å; S110-F404 VanDerWaalsContact C-CD1 3.44Å; S110-F404 WeakPolarHBondContact O-CD1 3.38Å; S111-F404 VanDerWaalsContact N-CE1 3.35Å; G113-F404 CarbonylContact C-O 3.57Å; G113-F404 WeakPolarHBondContact CA-O 3.49Å; L334-F404 HydrophobicContact CB-CD1 3.83Å; L334-F404 HydrophobicContact CB-CE1 3.59Å; L334-F404 HydrophobicContact CB-CE2 4.4Å; L334-F404 HydrophobicContact CB-CG 4.33Å; L334-F404 HydrophobicContact CB-CZ 3.89Å; L334-F404 HydrophobicContact CD2-CB 3.77Å; L334-F404 HydrophobicContact CD2-CD1 3.7Å; L334-F404 HydrophobicContact CD2-CD2 4.32Å; L334-F404 HydrophobicContact CD2-CE1 4.37Å; L334-F404 HydrophobicContact CD2-CG 3.66Å; L334-F404 HydrophobicContact CG-CD1 4.31Å; L334-F404 HydrophobicContact CG-CG 4.43Å; V335-F404 WeakPolarHBondContact O-CE1 3.38Å; W336-F404 HydrophobicContact CD2-CE2 4.1Å; W336-F404 AromaticContact CD2-CZ 3.58Å; W336-F404 HydrophobicContact CD2-CZ 3.58Å; W336-F404 AromaticContact CE2-CE2 3.71Å; W336-F404 AromaticContact CE2-CZ 3.51Å; W336-F404 HydrophobicContact CE3-CE2 4.27Å; W336-F404 AromaticContact CE3-CZ 3.99Å; W336-F404 HydrophobicContact CE3-CZ 3.99Å; W336-F404 HydrophobicContact CG-CZ 4.01Å; W336-F404 AromaticContact CH2-CE2 3.76Å; W336-F404 HydrophobicContact CH2-CE2 3.76Å; W336-F404 HydrophobicContact CH2-CZ 4.26Å; W336-F404 AromaticContact CZ2-CE2 3.54Å; W336-F404 HydrophobicContact CZ2-CE2 3.54Å; W336-F404 AromaticContact CZ2-CZ 3.87Å; W336-F404 HydrophobicContact CZ2-CZ 3.87Å; W336-F404 HydrophobicContact CZ3-CE2 4.13Å; W336-F404 HydrophobicContact CZ3-CZ 4.32Å; W336-F404 AromaticContact NE1-CZ 3.82Å; L400-F404 HydrophobicContact CD1-CD2 3.75Å; L400-F404 HydrophobicContact CD1-CE2 3.51Å; L400-F404 HydrophobicContact CG-CD2 4.14Å; L400-F404 HydrophobicContact CG-CE2 4.36Å; L400-F404 WeakPolarHBondContact O-CD2 3.15Å; L400-F404 PolarHBondContact O-N 3.29Å; I401-F404 PolarHBondContact O-N 2.92Å
405T96.3Very high97.5Very high26 Ų2655.8 Ų55.816%0.1629%0.288CS..Hα-helixtrans-87.6-13.1175.3590000113.4W324 I401 R402 N407 I410W324-T405 HydrophobicContact CD2-CG2 4.4Å; W324-T405 HydrophobicContact CE3-CG2 3.78Å; W324-T405 HydrophobicContact CH2-CG2 4.01Å; W324-T405 HydrophobicContact CZ3-CG2 3.58Å; I401-T405 HydrophobicContact CG2-CG2 4.14Å; I401-T405 WeakPolarHBondContact O-CB 3.49Å; I401-T405 VanDerWaalsContact O-CG2 3.25Å; I401-T405 WeakPolarHBondContact O-CG2 3.07Å; I401-T405 PolarHBondContact O-N 3.49Å; I401-T405 PolarHBondContact O-OG1 2.92Å; R402-T405 PolarHBondContact O-OG1 3.09Å; T405-N407 PolarHBondContact O-N 3.26Å; T405-N407 VanDerWaalsContact O-N 3.11Å; T405-N407 PolarHBondContact OG1-N 2.73Å; T405-I410 HydrophobicContact CG2-CD1 3.88Å; T405-I410 WeakPolarHBondContact OG1-CD1 3.3Å
406G97.1Very high97.5Very high49 Ų4952.4 Ų52.451%0.50527%0.274SS..  trans64.48.1-169.800000113.9R402 R403 P408R402-G406 WeakPolarHBondContact O-CA 3.39Å; R402-G406 PolarHBondContact O-N 3.18Å; R403-G406 PolarHBondContact O-N 2.9Å; G406-P408 WeakPolarHBondContact O-CD 3.08Å
407N96.4Very high97.4Very high60 Ų6053 Ų5332%0.32127%0.271SS..  trans-107.8103.4-174.3-175.8-13.2000110.9R402 T405 T409 I410R402-N407 WeakPolarHBondContact CG-O 3.47Å; R402-N407 PolarHBondContact O-N 3.36Å; T405-N407 PolarHBondContact O-N 3.26Å; T405-N407 VanDerWaalsContact O-N 3.11Å; T405-N407 PolarHBondContact OG1-N 2.73Å; N407-T409 PolarHBondContact O-N 2.99Å; N407-T409 WeakPolarHBondContact OD1-CB 3.28Å; N407-T409 PolarHBondContact OD1-N 3.36Å; N407-T409 PolarHBondContact OD1-OG1 2.93Å; N407-I410 HydrophobicContact CB-CD1 3.8Å; N407-I410 HydrophobicContact CB-CG1 3.98Å
408P96.5Very high97.4Very high93 Ų9353 Ų5360%0.60427%0.272SS*.THydrogen-bonded Turntrans-72.5-9.1-176.530.8-36.6000113.9R402 G406R402-P408 PolarHBondContact NE-O 2.84Å; R402-P408 VanDerWaalsContact NE-O 3.07Å; G406-P408 WeakPolarHBondContact O-CD 3.08Å
409T96.7Very high97.3Very high106 Ų10656.4 Ų56.465%0.6529%0.286SS*.THydrogen-bonded Turntrans-88.6-19.8-176.169.70000113.2N407 T411N407-T409 PolarHBondContact O-N 2.99Å; N407-T409 WeakPolarHBondContact OD1-CB 3.28Å; N407-T409 PolarHBondContact OD1-N 3.36Å; N407-T409 PolarHBondContact OD1-OG1 2.93Å; T409-T411 PolarHBondContact O-N 3.25Å; T409-T411 PolarHBondContact O-OG1 3.33Å
410I96.9Very high97.3Very high16 Ų1651.8 Ų51.88%0.08226%0.264CS..  trans-59.3125.2-180-64.4175.3000109.2F320 W324 I401 R402 T405 N407F320-I410 HydrophobicContact CD1-CG2 4.2Å; F320-I410 HydrophobicContact CE1-CG2 3.59Å; F320-I410 HydrophobicContact CZ-CG2 4.45Å; W324-I410 HydrophobicContact CB-CD1 3.94Å; W324-I410 HydrophobicContact CB-CG1 4.43Å; W324-I410 HydrophobicContact CD2-CD1 3.96Å; W324-I410 HydrophobicContact CE3-CD1 4.46Å; W324-I410 HydrophobicContact CG-CD1 3.71Å; W324-I410 HydrophobicContact CG-CG1 4.36Å; W324-I410 HydrophobicContact CG-CG2 4.43Å; I401-I410 HydrophobicContact CG2-CB 4.47Å; I401-I410 HydrophobicContact CG2-CD1 4.31Å; I401-I410 HydrophobicContact CG2-CG2 3.74Å; R402-I410 PolarHBondContact NE-O 3.27Å; R402-I410 PolarHBondContact NH2-O 3.07Å; T405-I410 HydrophobicContact CG2-CD1 3.88Å; T405-I410 WeakPolarHBondContact OG1-CD1 3.3Å; N407-I410 HydrophobicContact CB-CD1 3.8Å; N407-I410 HydrophobicContact CB-CG1 3.98Å
411T96.4Very high97.3Very high84 Ų8455.4 Ų55.452%0.51528%0.28SS..  trans-136.5116-178-55.40000108.4R402 T409R402-T411 PolarHBondContact NH2-OG1 2.81Å; T409-T411 PolarHBondContact O-N 3.25Å; T409-T411 PolarHBondContact O-OG1 3.33Å
412P97.2Very high97.2Very high13 Ų1359.9 Ų59.98%0.08430%0.301CS..  trans-58.8137.4170.6-25.335.9000110.9V318 E319 F320 T398 V415V318-P412 HydrophobicContact CG1-CB 3.63Å; V318-P412 HydrophobicContact CG1-CG 3.72Å; E319-P412 CarbonylContact O-C 3.43Å; E319-P412 WeakPolarHBondContact O-CA 3.21Å; F320-P412 HydrophobicContact CE1-CB 4.21Å; F320-P412 HydrophobicContact CE1-CG 3.91Å; F320-P412 HydrophobicContact CZ-CB 4.5Å; F320-P412 HydrophobicContact CZ-CG 4.16Å; T398-P412 VanDerWaalsContact OG1-CD 3.3Å; T398-P412 WeakPolarHBondContact OG1-CD 3.36Å; T398-P412 WeakPolarHBondContact OG1-CG 3.49Å; P412-V415 HydrophobicContact CB-CG2 3.85Å; P412-V415 HydrophobicContact CG-CG2 4.35Å
413R96.5Very high97.1Very high146 Ų14657.5 Ų57.555%0.55130%0.295SS*.SBendtrans-72.3-45169.7176.5176.1175.8160.9-7.6110.8E319 D321E319-R413 HydrophobicContact CB-CB 4.5Å; E319-R413 WeakPolarHBondContact O-CB 3.46Å; E319-R413 PolarHBondContact O-N 2.99Å; E319-R413 WeakPolarHBondContact OE2-CD 3.4Å; E319-R413 IonicContact OE2-NE 3.72Å; D321-R413 VanDerWaalsContact OD1-CD 3.29Å; D321-R413 WeakPolarHBondContact OD1-CD 3.35Å; D321-R413 IonicContact OD1-CZ 3.71Å; D321-R413 IonicContact OD1-NE 3.5Å; D321-R413 IonicContact OD1-NH1 2.83Å; D321-R413 PolarHBondContact OD1-NH1 3.41Å
414R96.9Very high97.1Very high78 Ų7855.9 Ų55.929%0.29430%0.298SS..EExtended strand (participates in β ladder)trans-144.8146.5179.7-75.7-178.6-68.9175.87.2110.9M53 G54 V318 E319M53-R414 VanDerWaalsContact C-NH2 3.31Å; M53-R414 HydrophobicContact CG-CB 4.48Å; M53-R414 PolarHBondContact O-NH2 3.48Å; M53-R414 HydrophobicContact SD-CB 4.3Å; G54-R414 VanDerWaalsContact CA-NH2 3.29Å; V318-R414 WeakPolarHBondContact CA-O 3.44Å; E319-R414 HydrophobicContact CB-CB 4.21Å; E319-R414 PolarHBondContact N-O 2.88Å; E319-R414 IonicContact OE1-CZ 3.88Å; E319-R414 IonicContact OE1-NH2 3.68Å; E319-R414 PolarHBondContact OE1-NH2 3.13Å; E319-R414 IonicContact OE2-CZ 3.42Å; E319-R414 IonicContact OE2-NE 3.37Å; E319-R414 PolarHBondContact OE2-NE 3.47Å; E319-R414 IonicContact OE2-NH2 3.41Å; E319-R414 PolarHBondContact OE2-NH2 3.29Å
415V98.1Very high97.1Very high16 Ų1659.2 Ų59.210%0.09731%0.31CS..EExtended strand (participates in β ladder)trans-129.7129.7172.3-178.80000108.2I316 F317 V318 V393 T394 P412I316-V415 HydrophobicContact CG2-CG1 3.81Å; F317-V415 CarbonylContact O-C 3.46Å; F317-V415 VanDerWaalsContact O-CA 3.27Å; F317-V415 WeakPolarHBondContact O-CA 3.07Å; V318-V415 HydrophobicContact CG1-CG2 4.22Å; V393-V415 HydrophobicContact CG1-CG1 4.31Å; T394-V415 HydrophobicContact CG2-CB 4.38Å; T394-V415 HydrophobicContact CG2-CG2 3.93Å; P412-V415 HydrophobicContact CB-CG2 3.85Å; P412-V415 HydrophobicContact CG-CG2 4.35Å
416L97.1Very high97.1Very high59 Ų5958.4 Ų58.431%0.30931%0.305SS..EExtended strand (participates in β ladder)trans-131.3145.9176.2-66.1173.8000109.1M53 I58 I316 F317M53-L416 HydrophobicContact CB-CD1 3.96Å; M53-L416 HydrophobicContact CG-CD1 3.76Å; M53-L416 HydrophobicContact SD-CD1 3.89Å; M53-L416 HydrophobicContact SD-CG 4.18Å; I58-L416 HydrophobicContact CD1-CD1 4.16Å; I316-L416 CarbonylContact C-O 3.56Å; I316-L416 WeakPolarHBondContact CA-O 3.11Å; F317-L416 HydrophobicContact CB-CB 4.39Å; F317-L416 PolarHBondContact N-O 3.18Å; F317-L416 PolarHBondContact O-N 2.92Å
417R97.2Very high97.1Very high41 Ų4157 Ų5716%0.15529%0.287CS..EExtended strand (participates in β ladder)trans-127.7150175.571.3-178.6-172.8-111.3-0.3111.9K315 M385 E386 L388 Q419K315-R417 CarbonylContact O-C 3.52Å; K315-R417 VanDerWaalsContact O-CA 3.23Å; K315-R417 WeakPolarHBondContact O-CA 3.29Å; M385-R417 HydrophobicContact CE-CB 4.18Å; M385-R417 PolarHBondContact O-NE 2.99Å; M385-R417 HydrophobicContact SD-CB 4.39Å; E386-R417 PolarHBondContact O-NH2 3.3Å; L388-R417 PolarHBondContact O-NH1 3.27Å; L388-R417 PolarHBondContact O-NH2 3.4Å; R417-Q419 HydrophobicContact CG-CG 4.4Å
418S97.8Very high97.2Very high2 Ų254.1 Ų54.11%0.01427%0.272CS..  trans-79161.7164.665.30000111.1N314 K315N314-S418 WeakPolarHBondContact CA-OG 3.25Å; N314-S418 WeakPolarHBondContact CB-OG 3.4Å; N314-S418 VanDerWaalsContact CG-OG 3.27Å; N314-S418 WeakPolarHBondContact OD1-CB 3.38Å; N314-S418 PolarHBondContact OD1-O 3.17Å; N314-S418 PolarHBondContact OD1-OG 3.1Å; K315-S418 PolarHBondContact N-OG 3.26Å; K315-S418 PolarHBondContact O-N 2.83Å
419Q97.3Very high97.2Very high87 Ų8749.9 Ų49.941%0.40725%0.245SC..  trans-141.770.6-179.9-59.6-179.825.800110.6N314 E386 R417N314-Q419 PolarHBondContact OD1-N 3.16Å; E386-Q419 HydrophobicContact CB-CB 4.43Å; E386-Q419 HydrophobicContact CB-CG 4.22Å; E386-Q419 HydrophobicContact CG-CB 3.99Å; E386-Q419 HydrophobicContact CG-CG 4Å; E386-Q419 VanDerWaalsContact OE1-C 3.25Å; E386-Q419 WeakPolarHBondContact OE1-CA 3.35Å; R417-Q419 HydrophobicContact CG-CG 4.4Å
420W98Very high97.3Very high15 Ų1547.1 Ų47.16%0.05722%0.223CC..  trans-79.9-25.9-174.6-72.5112.3000114.1R47 K49 I60 G61 N314 E386 T426 G428R47-W420 HydrophobicContact CB-CH2 4.34Å; R47-W420 HydrophobicContact CB-CZ3 4.32Å; R47-W420 HydrophobicContact CG-CE3 4.18Å; R47-W420 HydrophobicContact CG-CH2 4.3Å; R47-W420 HydrophobicContact CG-CZ3 3.79Å; K49-W420 HydrophobicContact CB-CH2 4.05Å; K49-W420 HydrophobicContact CB-CZ2 4.31Å; K49-W420 HydrophobicContact CD-CH2 4.29Å; I60-W420 HydrophobicContact CG2-CZ2 4.19Å; I60-W420 PolarHBondContact O-NE1 2.9Å; G61-W420 VanDerWaalsContact CA-CZ2 3.42Å; N314-W420 VanDerWaalsContact OD1-CD1 3.31Å; N314-W420 PolarHBondContact OD1-N 2.91Å; N314-W420 VanDerWaalsContact OD1-N 3.11Å; E386-W420 PolarHBondContact OE1-N 2.97Å; W420-T426 HydrophobicContact CE3-CG2 4.07Å; W420-T426 HydrophobicContact CZ3-CG2 4.03Å; W420-T426 PolarHBondContact O-OG1 2.78Å; W420-G428 WeakPolarHBondContact O-CA 3.25Å; W420-G428 PolarHBondContact O-N 3.42Å
421F97.8Very high97.3Very high80 Ų8046.5 Ų46.535%0.35122%0.22SC..SBendtrans-73.5-46.6-179.6-178.7-105000112.1T312 E383 E386 D423T312-F421 HydrophobicContact CG2-CB 3.78Å; T312-F421 WeakPolarHBondContact OG1-CD2 3.34Å; E383-F421 HydrophobicContact CB-CD1 4.04Å; E383-F421 HydrophobicContact CB-CE1 4.35Å; E383-F421 HydrophobicContact CB-CG 4.2Å; E383-F421 HydrophobicContact CG-CB 3.93Å; E383-F421 HydrophobicContact CG-CD1 3.94Å; E383-F421 HydrophobicContact CG-CD2 3.71Å; E383-F421 HydrophobicContact CG-CE1 4.33Å; E383-F421 HydrophobicContact CG-CE2 4.12Å; E383-F421 HydrophobicContact CG-CG 3.6Å; E383-F421 HydrophobicContact CG-CZ 4.4Å; E383-F421 WeakPolarHBondContact OE1-CD2 3.38Å; E383-F421 WeakPolarHBondContact OE1-CE2 3.27Å; E386-F421 WeakPolarHBondContact OE1-CB 3.15Å; E386-F421 PolarHBondContact OE1-N 2.82Å; E386-F421 PolarHBondContact OE2-N 3.28Å; F421-D423 VanDerWaalsContact C-N 3.3Å; F421-D423 PolarHBondContact O-N 3.2Å
422H96.6Very high97.3Very high95 Ų9544.1 Ų44.144%0.4420%0.202SC..SBendtrans-80.5-6.5179.2-65.692.3000113.7E386 P424E386-H422 VanDerWaalsContact CB-ND1 3.3Å; E386-H422 WeakPolarHBondContact CB-ND1 3.49Å; E386-H422 WeakPolarHBondContact OE2-CB 3.46Å; E386-H422 IonicContact OE2-CE1 3.55Å; E386-H422 IonicContact OE2-CG 2.73Å; E386-H422 PolarHBondContact OE2-N 3.23Å; E386-H422 IonicContact OE2-ND1 3.79Å; E386-H422 PolarHBondContact OE2-ND1 3.05Å; H422-P424 WeakPolarHBondContact O-CD 3.26Å
423D97.1Very high97.2Very high36 Ų3643.7 Ų43.719%0.19320%0.199CC..  trans-65.1115.9169.2-175.3-35.4000109.1F421 W425 T426 C427F421-D423 VanDerWaalsContact C-N 3.3Å; F421-D423 PolarHBondContact O-N 3.2Å; D423-W425 PolarHBondContact O-N 2.85Å; D423-W425 VanDerWaalsContact O-N 3.09Å; D423-W425 PolarHBondContact OD1-N 2.81Å; D423-T426 WeakPolarHBondContact CB-OG1 3.28Å; D423-T426 PolarHBondContact O-N 2.89Å; D423-C427 PolarHBondContact O-N 2.81Å
424P97.1Very high97.2Very high71 Ų7137.2 Ų37.246%0.46118%0.176SC..THydrogen-bonded Turntrans-66.2-16.7-172.427.9-35.5000113.2Y284 H422 C427Y284-P424 VanDerWaalsContact CD2-O 3.27Å; Y284-P424 WeakPolarHBondContact CD2-O 3.23Å; Y284-P424 WeakPolarHBondContact CE2-O 3.18Å; H422-P424 WeakPolarHBondContact O-CD 3.26Å; P424-C427 PolarHBondContact O-SG 2.75Å
425W97.5Very high97.1Very high71 Ų7136.6 Ų36.627%0.26918%0.181SC..THydrogen-bonded Turntrans-97.3-15.8-176.3-50.8112.3000113.2A40 T41 P242 Y284 D423A40-W425 HydrophobicContact CB-CD2 3.58Å; A40-W425 HydrophobicContact CB-CE3 3.48Å; A40-W425 VanDerWaalsContact CB-CE3 3.48Å; A40-W425 HydrophobicContact CB-CG 4.26Å; A40-W425 HydrophobicContact CB-CH2 4.04Å; A40-W425 HydrophobicContact CB-CZ2 4.1Å; A40-W425 HydrophobicContact CB-CZ3 3.73Å; T41-W425 VanDerWaalsContact CG2-CD1 3.47Å; T41-W425 HydrophobicContact CG2-CG 3.99Å; P242-W425 HydrophobicContact CB-CH2 3.44Å; P242-W425 VanDerWaalsContact CB-CH2 3.44Å; P242-W425 HydrophobicContact CB-CZ2 4.34Å; P242-W425 HydrophobicContact CB-CZ3 3.75Å; P242-W425 HydrophobicContact CG-CH2 4.21Å; Y284-W425 AromaticContact CE2-CE3 3.93Å; Y284-W425 HydrophobicContact CE2-CE3 3.93Å; Y284-W425 HydrophobicContact CE2-CZ3 4.28Å; D423-W425 PolarHBondContact O-N 2.85Å; D423-W425 VanDerWaalsContact O-N 3.09Å; D423-W425 PolarHBondContact OD1-N 2.81Å
426T96.8Very high96.7Very high8 Ų838.1 Ų38.15%0.04920%0.2CC..THydrogen-bonded Turntrans-110.1-40.2175.8600000113.1R47 P281 Y284 F310 W420 D423 G428R47-T426 HydrophobicContact CG-CG2 3.72Å; P281-T426 HydrophobicContact CG-CG2 4.33Å; Y284-T426 PolarHBondContact N-O 3Å; F310-T426 WeakPolarHBondContact CE1-O 3.41Å; W420-T426 HydrophobicContact CE3-CG2 4.07Å; W420-T426 HydrophobicContact CZ3-CG2 4.03Å; W420-T426 PolarHBondContact O-OG1 2.78Å; D423-T426 WeakPolarHBondContact CB-OG1 3.28Å; D423-T426 PolarHBondContact O-N 2.89Å; T426-G428 VanDerWaalsContact C-N 3.29Å; T426-G428 WeakPolarHBondContact CB-O 3.44Å; T426-G428 PolarHBondContact O-N 3.17Å; T426-G428 PolarHBondContact OG1-O 3.31Å
427C97.8Very high96.6Very high19 Ų1935.7 Ų35.713%0.12819%0.187CC..SBendtrans53.644.8-177-59.20000112.4F310 D423 P424F310-C427 WeakPolarHBondContact CD1-O 3.49Å; F310-C427 WeakPolarHBondContact CE1-O 3.32Å; D423-C427 PolarHBondContact O-N 2.81Å; P424-C427 PolarHBondContact O-SG 2.75Å
428G97.6Very high96.4Very high0 Ų035.9 Ų35.90%020%0.195CC..SBendtrans128.6-172.1-175.100000112.9W420 T426W420-G428 WeakPolarHBondContact O-CA 3.25Å; W420-G428 PolarHBondContact O-N 3.42Å; T426-G428 VanDerWaalsContact C-N 3.29Å; T426-G428 WeakPolarHBondContact CB-O 3.44Å; T426-G428 PolarHBondContact O-N 3.17Å; T426-G428 PolarHBondContact OG1-O 3.31Å
429S97.4Very high96.2Very high5 Ų539.2 Ų39.24%0.03521%0.212CC..SBendtrans-97.2-70.8-173.463.70000112.6R47 G311 T312 N313R47-S429 WeakPolarHBondContact CD-O 3.48Å; R47-S429 PolarHBondContact NH1-O 2.79Å; G311-S429 PolarHBondContact O-N 3.39Å; G311-S429 PolarHBondContact O-OG 2.84Å; T312-S429 WeakPolarHBondContact CA-OG 3.35Å; N313-S429 PolarHBondContact N-OG 2.97Å
430Y97.9Very high96.1Very high48 Ų4840.1 Ų40.119%0.18822%0.217CC..EExtended strand (participates in β ladder)trans-157.6171.8-177.843.3-98.9000112.8C189 F310 G311 N313C189-Y430 PolarHBondContact O-OH 3.3Å; F310-Y430 VanDerWaalsContact CD2-C 3.48Å; G311-Y430 PolarHBondContact N-O 3.24Å; G311-Y430 VanDerWaalsContact N-O 3.1Å; N313-Y430 HydrophobicContact CB-CE1 4.23Å; N313-Y430 PolarHBondContact ND2-OH 2.92Å
431T97.8Very high96.1Very high3 Ų339.4 Ų39.42%0.01821%0.214CC..EExtended strand (participates in β ladder)trans-69.9154.8-176.3-51.20000111.4L282 M308 G309 E464 A465 S472L282-T431 HydrophobicContact CD2-CG2 3.86Å; M308-T431 HydrophobicContact CE-CG2 3.79Å; G309-T431 CarbonylContact O-C 3.55Å; G309-T431 VanDerWaalsContact O-CA 3.29Å; G309-T431 WeakPolarHBondContact O-CA 3.46Å; G309-T431 WeakPolarHBondContact O-CG2 3.28Å; T431-E464 VanDerWaalsContact CB-OE2 3.3Å; T431-E464 WeakPolarHBondContact CB-OE2 3.3Å; T431-E464 VanDerWaalsContact OG1-CD 3.29Å; T431-E464 PolarHBondContact OG1-OE1 3.42Å; T431-E464 VanDerWaalsContact OG1-OE1 3.05Å; T431-E464 PolarHBondContact OG1-OE2 3.4Å; T431-A465 HydrophobicContact CG2-CB 4.31Å; T431-A465 WeakPolarHBondContact OG1-CB 3.2Å; T431-S472 PolarHBondContact O-OG 3.24Å
432Y96.9Very high96.1Very high34 Ų3435.7 Ų35.713%0.13320%0.198CC..EExtended strand (participates in β ladder)trans-144.8161.9162.769.5-88.1000110N191 L199 G309 A434N191-Y432 VanDerWaalsContact O-CB 3.25Å; N191-Y432 WeakPolarHBondContact O-CB 3.29Å; L199-Y432 HydrophobicContact CD1-CD2 3.88Å; G309-Y432 VanDerWaalsContact CA-CE1 3.46Å; G309-Y432 VanDerWaalsContact CA-O 3.28Å; G309-Y432 WeakPolarHBondContact CA-O 3.39Å; G309-Y432 PolarHBondContact N-O 2.7Å; G309-Y432 PolarHBondContact O-N 3.29Å; Y432-A434 HydrophobicContact CD2-CB 4.16Å; Y432-A434 HydrophobicContact CE2-CB 3.59Å; Y432-A434 PolarHBondContact O-N 2.95Å
433T94.8Very high96.1Very high4 Ų435.1 Ų35.13%0.02520%0.195CC..  trans-84.579.1-178.548.70000110.5L199 G200 A203 T437 F471L199-T433 WeakPolarHBondContact CD1-O 3.45Å; G200-T433 PolarHBondContact N-O 2.95Å; A203-T433 HydrophobicContact CB-CG2 3.94Å; T433-T437 HydrophobicContact CG2-CG2 4.41Å; T433-F471 HydrophobicContact CG2-CE1 4.07Å; T433-F471 HydrophobicContact CG2-CE2 4.02Å; T433-F471 HydrophobicContact CG2-CZ 3.61Å
434A96.2Very high96.2Very high10 Ų1034.2 Ų34.28%0.08319%0.191CC..BIsolated β-bridgetrans-60.1160.5-179.600000112.4T198 R307 Y432 G436 T437T198-A434 CarbonylContact O-C 3.48Å; T198-A434 WeakPolarHBondContact O-CA 3.48Å; R307-A434 WeakPolarHBondContact O-CB 3.46Å; Y432-A434 HydrophobicContact CD2-CB 4.16Å; Y432-A434 HydrophobicContact CE2-CB 3.59Å; Y432-A434 PolarHBondContact O-N 2.95Å; A434-G436 PolarHBondContact O-N 2.7Å; A434-T437 PolarHBondContact N-OG1 2.74Å; A434-T437 WeakPolarHBondContact O-CB 3.42Å; A434-T437 PolarHBondContact O-N 2.82Å; A434-T437 PolarHBondContact O-OG1 3.25Å
435T94Very high96.2Very high65 Ų6531.1 Ų31.140%0.39917%0.17SC..THydrogen-bonded Turntrans-50.8131.3175.349.10000111.3S147 T198 T437S147-T435 VanDerWaalsContact O-CG2 3.3Å; S147-T435 WeakPolarHBondContact O-CG2 3.38Å; T198-T435 PolarHBondContact O-N 2.82Å; T435-T437 VanDerWaalsContact C-N 3.27Å; T435-T437 PolarHBondContact O-N 2.78Å
436G91.1Very high96.3Very high47 Ų4728.1 Ų28.149%0.48516%0.161SC..THydrogen-bonded Turntrans77.60.3-174.200000115.8A434A434-G436 PolarHBondContact O-N 2.7Å
437T93.3Very high96.3Very high8 Ų829.7 Ų29.75%0.04917%0.167CC..  trans-69.3137.9167.2-60.40000109.7A203 R307 M308 T433 A434 T435 D441A203-T437 WeakPolarHBondContact CB-O 3.49Å; R307-T437 PolarHBondContact O-OG1 2.81Å; M308-T437 HydrophobicContact CG-CG2 4.03Å; T433-T437 HydrophobicContact CG2-CG2 4.41Å; A434-T437 PolarHBondContact N-OG1 2.74Å; A434-T437 WeakPolarHBondContact O-CB 3.42Å; A434-T437 PolarHBondContact O-N 2.82Å; A434-T437 PolarHBondContact O-OG1 3.25Å; T435-T437 VanDerWaalsContact C-N 3.27Å; T435-T437 PolarHBondContact O-N 2.78Å; T437-D441 HydrophobicContact CG2-CB 4.41Å
438S92.8Very high96.2Very high46 Ų4629.1 Ų29.132%0.32216%0.163SC..  trans-125.6165.317565.70000111.5Q440 D441S438-Q440 PolarHBondContact O-N 2.74Å; S438-Q440 PolarHBondContact OG-N 2.8Å; S438-D441 PolarHBondContact N-OD2 2.92Å; S438-D441 WeakPolarHBondContact O-CB 3.48Å; S438-D441 PolarHBondContact O-N 3.46Å; S438-D441 PolarHBondContact OG-N 2.68Å; S438-D441 PolarHBondContact OG-OD2 3.33Å
439L94.3Very high96.2Very high71 Ų7129.3 Ų29.337%0.37216%0.164SC..Hα-helixtrans-54.5-34169.5178.860.5000111.8L206 D441 I442 H443 P468L206-L439 HydrophobicContact CD1-CB 4.27Å; L206-L439 HydrophobicContact CD2-CB 4.25Å; L439-D441 VanDerWaalsContact C-N 3.27Å; L439-D441 PolarHBondContact O-N 2.68Å; L439-I442 PolarHBondContact O-N 3.38Å; L439-H443 PolarHBondContact O-N 2.88Å; L439-H443 VanDerWaalsContact O-N 3.1Å; L439-P468 HydrophobicContact CD1-CB 3.48Å; L439-P468 VanDerWaalsContact CD1-CB 3.48Å
440Q96Very high96Very high106 Ų10629.1 Ų29.150%0.49516%0.163SC..Hα-helixtrans-64.5-30.5177.1-170.558.346.300112.3S438 H443 N444S438-Q440 PolarHBondContact O-N 2.74Å; S438-Q440 PolarHBondContact OG-N 2.8Å; Q440-H443 PolarHBondContact O-N 3.4Å; Q440-N444 PolarHBondContact NE2-OD1 3.26Å; Q440-N444 WeakPolarHBondContact O-CB 3.47Å; Q440-N444 PolarHBondContact O-N 2.74Å; Q440-N444 PolarHBondContact O-ND2 3.46Å; Q440-N444 PolarHBondContact O-OD1 3.27Å
441D97.4Very high95.3Very high0 Ų031.1 Ų31.10%017%0.174CC..Hα-helixtrans-66.5-40176.1-67.9-63.6000112.2S304 R307 M308 T437 S438 L439 H443 N444 L445S304-D441 WeakPolarHBondContact CA-OD1 3.46Å; S304-D441 VanDerWaalsContact CB-OD1 3.31Å; S304-D441 WeakPolarHBondContact CB-OD1 3.37Å; S304-D441 WeakPolarHBondContact OG-CA 3.31Å; S304-D441 PolarHBondContact OG-OD1 3.38Å; R307-D441 IonicContact CZ-OD1 3.86Å; R307-D441 VanDerWaalsContact CZ-OD1 3.27Å; R307-D441 IonicContact NE-OD1 2.72Å; R307-D441 PolarHBondContact NE-OD1 3.31Å; R307-D441 IonicContact NE-OD2 3.42Å; R307-D441 PolarHBondContact NE-OD2 3.15Å; R307-D441 IonicContact NH2-OD1 2.76Å; R307-D441 PolarHBondContact NH2-OD1 3.01Å; R307-D441 IonicContact NH2-OD2 3.72Å; M308-D441 HydrophobicContact CG-CB 4Å; M308-D441 HydrophobicContact SD-CB 4.24Å; T437-D441 HydrophobicContact CG2-CB 4.41Å; S438-D441 PolarHBondContact N-OD2 2.92Å; S438-D441 WeakPolarHBondContact O-CB 3.48Å; S438-D441 PolarHBondContact O-N 3.46Å; S438-D441 PolarHBondContact OG-N 2.68Å; S438-D441 PolarHBondContact OG-OD2 3.33Å; L439-D441 VanDerWaalsContact C-N 3.27Å; L439-D441 PolarHBondContact O-N 2.68Å; D441-H443 VanDerWaalsContact C-N 3.35Å; D441-N444 PolarHBondContact O-N 2.79Å; D441-L445 WeakPolarHBondContact O-CB 3.44Å; D441-L445 PolarHBondContact O-N 3.36Å
442I97.5Very high93.9Very high2 Ų239 Ų391%0.0121%0.21CC..Hα-helixtrans-65-42.6175.3-56.9172.1000110L206 M308 L439 L445 A446 F471L206-I442 HydrophobicContact CD1-CD1 4.4Å; M308-I442 HydrophobicContact CE-CG1 3.88Å; M308-I442 HydrophobicContact SD-CG1 4.49Å; L439-I442 PolarHBondContact O-N 3.38Å; I442-L445 PolarHBondContact O-N 2.99Å; I442-A446 WeakPolarHBondContact O-CB 3.45Å; I442-A446 PolarHBondContact O-N 2.9Å; I442-F471 HydrophobicContact CD1-CD1 4.03Å; I442-F471 HydrophobicContact CD1-CE1 4.28Å
443H97.6Very high92.4Very high83 Ų8341.2 Ų41.238%0.38424%0.244SC..Hα-helixtrans-63.1-44.3175-67.9160.7000112.4L439 Q440 D441 L445 A446 E447L439-H443 PolarHBondContact O-N 2.88Å; L439-H443 VanDerWaalsContact O-N 3.1Å; Q440-H443 PolarHBondContact O-N 3.4Å; D441-H443 VanDerWaalsContact C-N 3.35Å; H443-L445 VanDerWaalsContact C-N 3.28Å; H443-L445 PolarHBondContact O-N 2.93Å; H443-A446 CarbonylContact O-C 3.3Å; H443-A446 PolarHBondContact O-N 3.18Å; H443-E447 PolarHBondContact O-N 2.94Å
444N97.9Very high90.9Very high18 Ų1846.9 Ų46.910%0.09627%0.271CS..Hα-helixtrans-59.8-40.4175.6-70.3-12.3000110.9K301 S304 Q440 D441 E447K301-N444 VanDerWaalsContact CE-O 3.29Å; K301-N444 WeakPolarHBondContact CE-O 3.29Å; K301-N444 PolarHBondContact NZ-O 3.4Å; S304-N444 WeakPolarHBondContact OG-CB 3.39Å; S304-N444 PolarHBondContact OG-ND2 3.15Å; Q440-N444 PolarHBondContact NE2-OD1 3.26Å; Q440-N444 WeakPolarHBondContact O-CB 3.47Å; Q440-N444 PolarHBondContact O-N 2.74Å; Q440-N444 PolarHBondContact O-ND2 3.46Å; Q440-N444 PolarHBondContact O-OD1 3.27Å; D441-N444 PolarHBondContact O-N 2.79Å; N444-E447 PolarHBondContact O-N 3.39Å
445L98.1Very high89.7Confident5 Ų552.4 Ų52.43%0.02629%0.294CS..Hα-helixtrans-66.2-41.4175.9-175.861.6000111.8L282 L285 K301 V305 M308 D441 I442 H443 E447 F461 A465 T466L282-L445 HydrophobicContact CD1-CD2 4.18Å; L285-L445 HydrophobicContact CD2-CD1 3.83Å; K301-L445 PolarHBondContact NZ-O 2.86Å; V305-L445 HydrophobicContact CG2-CD1 3.73Å; M308-L445 HydrophobicContact CE-CD2 3.99Å; M308-L445 HydrophobicContact SD-CB 4.19Å; M308-L445 HydrophobicContact SD-CD2 3.87Å; D441-L445 WeakPolarHBondContact O-CB 3.44Å; D441-L445 PolarHBondContact O-N 3.36Å; I442-L445 PolarHBondContact O-N 2.99Å; H443-L445 VanDerWaalsContact C-N 3.28Å; H443-L445 PolarHBondContact O-N 2.93Å; L445-E447 VanDerWaalsContact C-N 3.32Å; L445-E447 PolarHBondContact O-N 3.48Å; L445-F461 VanDerWaalsContact O-CB 3.32Å; L445-F461 WeakPolarHBondContact O-CB 3.49Å; L445-F461 WeakPolarHBondContact O-CG 3.27Å; L445-A465 HydrophobicContact CD2-CB 3.71Å; L445-T466 HydrophobicContact CD2-CG2 4.19Å; L445-T466 HydrophobicContact CG-CG2 4.06Å
446A98.2Very high89.2Confident9 Ų952.3 Ų52.37%0.07430%0.295CS..Hα-helixtrans-72.5-19.3178.600000114.5I442 H443I442-A446 WeakPolarHBondContact O-CB 3.45Å; I442-A446 PolarHBondContact O-N 2.9Å; H443-A446 CarbonylContact O-C 3.3Å; H443-A446 PolarHBondContact O-N 3.18Å
447E97.2Very high89.3Confident41 Ų4150.9 Ų50.919%0.19228%0.276CS..  trans-61.3128.7-176.2-171.2177.8-143.800111.5H300 K301 H443 N444 L445 Q451 F461H300-E447 IonicContact CD2-OE2 2.72Å; H300-E447 IonicContact CE1-OE2 3.17Å; H300-E447 IonicContact NE2-OE2 2.69Å; H300-E447 PolarHBondContact NE2-OE2 2.91Å; K301-E447 WeakPolarHBondContact CE-O 3.49Å; K301-E447 PolarHBondContact NZ-O 3.45Å; H443-E447 PolarHBondContact O-N 2.94Å; N444-E447 PolarHBondContact O-N 3.39Å; L445-E447 VanDerWaalsContact C-N 3.32Å; L445-E447 PolarHBondContact O-N 3.48Å; E447-Q451 WeakPolarHBondContact OE1-CG 3.49Å; E447-Q451 PolarHBondContact OE1-NE2 3.3Å; E447-F461 WeakPolarHBondContact O-CD2 3.49Å
448P97.2Very high89.4Confident7 Ų750.9 Ų50.95%0.04528%0.276CS..  trans-71.2158.9175.933.3-38000111.4L457 V459 L460P448-L457 HydrophobicContact CB-CD2 3.88Å; P448-L457 HydrophobicContact CG-CD2 3.82Å; P448-V459 CarbonylContact C-O 3.6Å; P448-V459 VanDerWaalsContact CA-O 3.29Å; P448-V459 WeakPolarHBondContact CA-O 3.5Å; P448-L460 HydrophobicContact CB-CG 4.24Å
449L95.9Very high89.7Confident3 Ų348.7 Ų48.72%0.01626%0.26CS..BIsolated β-bridgetrans-113.9148171.4-57.3171.1000110.6W248 L293 L297 P298 K301 Q458 V459 F461W248-L449 HydrophobicContact CE3-CB 4.03Å; W248-L449 HydrophobicContact CH2-CB 4.04Å; W248-L449 HydrophobicContact CH2-CD1 4.15Å; W248-L449 HydrophobicContact CH2-CD2 4.4Å; W248-L449 HydrophobicContact CH2-CG 4.43Å; W248-L449 HydrophobicContact CZ2-CD1 3.95Å; W248-L449 HydrophobicContact CZ3-CB 3.74Å; L293-L449 HydrophobicContact CD2-CD1 4.5Å; L297-L449 HydrophobicContact CD2-CD1 3.91Å; P298-L449 HydrophobicContact CG-CD2 3.69Å; K301-L449 HydrophobicContact CD-CD1 4.48Å; L449-Q458 WeakPolarHBondContact O-CA 3.34Å; L449-Q458 PolarHBondContact O-N 3.35Å; L449-V459 HydrophobicContact CB-CB 4.15Å; L449-V459 PolarHBondContact N-O 2.95Å; L449-V459 PolarHBondContact O-N 3.26Å; L449-F461 HydrophobicContact CD1-CE2 3.93Å; L449-F461 HydrophobicContact CD1-CZ 3.99Å; L449-F461 HydrophobicContact CG-CE2 3.96Å
450P93.3Very high89.9Confident2 Ų245.3 Ų45.31%0.01324%0.243CC..SBendcis-60.8164.4-1722.6-27000111.7W248 E454 Q455 P456W248-P450 HydrophobicContact CZ3-CB 4.09Å; P450-E454 HydrophobicContact CB-CB 4.44Å; P450-Q455 HydrophobicContact CB-CB 4.23Å; P450-Q455 HydrophobicContact CG-CB 3.36Å; P450-Q455 HydrophobicContact CG-CG 4.38Å; P450-P456 WeakPolarHBondContact CD-O 3.29Å; P450-P456 WeakPolarHBondContact CG-O 3.47Å
451Q83.6Confident90Very high90 Ų9040.7 Ų40.742%0.42122%0.221SC..PPolyproline II helixtrans-61150.3-179.7-169.5167.924.100110.4E447 G453 E454E447-Q451 WeakPolarHBondContact OE1-CG 3.49Å; E447-Q451 PolarHBondContact OE1-NE2 3.3Å; Q451-G453 PolarHBondContact O-N 3.36Å; Q451-E454 PolarHBondContact O-N 2.8Å
452Q68.7Low90.1Very high167 Ų16740.9 Ų40.978%0.7822%0.223SC*.THydrogen-bonded Turntrans-52.2126.3-179.2-88.6-169-3100111.5
453G65Low90.1Very high82 Ų8241.2 Ų41.285%0.84523%0.226SC*.THydrogen-bonded Turntrans103.5-13.8175.700000115.1Q451Q451-G453 PolarHBondContact O-N 3.36Å
454E64Low90.2Very high123 Ų12337.6 Ų37.658%0.57521%0.21SC*.THydrogen-bonded Turntrans-90.2-37.9-177.1-62.4-171.6152.300113.4P450 Q451P450-E454 HydrophobicContact CB-CB 4.44Å; Q451-E454 PolarHBondContact O-N 2.8Å
455Q70.9Confident90.2Very high125 Ų12537 Ų3758%0.58421%0.208SC*.SBendtrans-165.8168-172.8-81.8-50.2-57.800109.5P450P450-Q455 HydrophobicContact CB-CB 4.23Å; P450-Q455 HydrophobicContact CG-CB 3.36Å; P450-Q455 HydrophobicContact CG-CG 4.38Å
456P83.3Confident90.2Very high63 Ų6337.1 Ų37.141%0.40921%0.208SC..SBendtrans-59.1152.8171.126.3-34.7000110.9P450P450-P456 WeakPolarHBondContact CD-O 3.29Å; P450-P456 WeakPolarHBondContact CG-O 3.47Å
457L92.5Very high90.2Very high18 Ų1838 Ų389%0.09421%0.211CC..  trans-54.9142.2176.8-63.4173.3000110.1H275 P448 R487 L488 H491H275-L457 PolarHBondContact CE1-O 2.83Å; H275-L457 PolarHBondContact ND1-O 3.05Å; P448-L457 HydrophobicContact CB-CD2 3.88Å; P448-L457 HydrophobicContact CG-CD2 3.82Å; L457-R487 HydrophobicContact CD1-CG 3.88Å; L457-L488 HydrophobicContact CD1-CD2 4.3Å; L457-H491 HydrophobicContact CD1-CB 4Å
458Q95.9Very high90.2Very high7 Ų737.8 Ų37.83%0.03321%0.213CC..  trans-134.4-51.7-178.4-71.6176.815.600111.8P260 V261 H275 V276 L449P260-Q458 HydrophobicContact CB-CG 4.04Å; P260-Q458 HydrophobicContact CG-CG 4.26Å; V261-Q458 HydrophobicContact CG2-CB 3.59Å; V261-Q458 HydrophobicContact CG2-CG 3.95Å; H275-Q458 CarbonylContact C-O 3.57Å; H275-Q458 WeakPolarHBondContact CA-O 3.44Å; V276-Q458 WeakPolarHBondContact CG1-O 3.36Å; V276-Q458 PolarHBondContact N-O 3.1Å; L449-Q458 WeakPolarHBondContact O-CA 3.34Å; L449-Q458 PolarHBondContact O-N 3.35Å
459V98.3Very high90.1Very high0 Ų039 Ų390%022%0.221CC..EExtended strand (participates in β ladder)trans-122120-177.7-172.40000109V246 W248 V276 L278 L293 P448 L449 F461V246-V459 HydrophobicContact CG1-CG2 4.25Å; W248-V459 HydrophobicContact CB-CG2 3.72Å; W248-V459 HydrophobicContact CD2-CG2 4.25Å; W248-V459 HydrophobicContact CG-CG2 3.83Å; V276-V459 HydrophobicContact CG1-CB 4.02Å; V276-V459 HydrophobicContact CG1-CG1 3.92Å; V276-V459 HydrophobicContact CG1-CG2 3.81Å; V276-V459 CarbonylContact O-C 2.98Å; V276-V459 WeakPolarHBondContact O-CA 3.31Å; L278-V459 HydrophobicContact CD1-CG1 3.56Å; L278-V459 HydrophobicContact CG-CG1 3.94Å; L293-V459 HydrophobicContact CD2-CG1 4.07Å; P448-V459 CarbonylContact C-O 3.6Å; P448-V459 VanDerWaalsContact CA-O 3.29Å; P448-V459 WeakPolarHBondContact CA-O 3.5Å; L449-V459 HydrophobicContact CB-CB 4.15Å; L449-V459 PolarHBondContact N-O 2.95Å; L449-V459 PolarHBondContact O-N 3.26Å; V459-F461 HydrophobicContact CB-CE2 4.42Å; V459-F461 HydrophobicContact CG1-CE1 4.44Å; V459-F461 HydrophobicContact CG1-CE2 3.8Å; V459-F461 HydrophobicContact CG1-CZ 3.74Å
460L98.6Very high90.2Very high0 Ų040.3 Ų40.30%023%0.227CC..EExtended strand (participates in β ladder)trans-112.6149.1178.8-64.686.2000108.8H275 V276 I277 L278 P448 E484 R487 L488H275-L460 HydrophobicContact CB-CD1 4.33Å; V276-L460 WeakPolarHBondContact O-CD1 3.48Å; V276-L460 PolarHBondContact O-N 2.95Å; I277-L460 CarbonylContact C-O 3.59Å; I277-L460 WeakPolarHBondContact CA-O 3.44Å; I277-L460 HydrophobicContact CG1-CB 4.23Å; L278-L460 PolarHBondContact N-O 3.4Å; P448-L460 HydrophobicContact CB-CG 4.24Å; L460-E484 HydrophobicContact CB-CB 4.17Å; L460-E484 HydrophobicContact CB-CG 4.17Å; L460-E484 WeakPolarHBondContact CB-OE2 3.38Å; L460-E484 HydrophobicContact CD2-CB 4.09Å; L460-E484 WeakPolarHBondContact CD2-OE2 3.32Å; L460-R487 HydrophobicContact CD2-CB 4.15Å; L460-R487 HydrophobicContact CD2-CG 4.36Å; L460-L488 HydrophobicContact CD1-CD1 4.5Å; L460-L488 HydrophobicContact CD1-CD2 3.89Å; L460-L488 HydrophobicContact CD1-CG 4.37Å; L460-L488 HydrophobicContact CD2-CD1 4.38Å; L460-L488 HydrophobicContact CD2-CD2 3.84Å; L460-L488 HydrophobicContact CD2-CG 3.75Å
461F98.8Very high90.3Very high9 Ų940.7 Ų40.74%0.03923%0.229CC..EExtended strand (participates in β ladder)trans-119.8123.4-176.5-63.3-95.8000110.5L278 L293 L297 K301 L445 E447 L449 V459 T466 R483 E484L278-F461 HydrophobicContact CB-CD1 4.22Å; L278-F461 HydrophobicContact CB-CE1 4.42Å; L278-F461 HydrophobicContact CD1-CD1 4.43Å; L278-F461 HydrophobicContact CD1-CE1 3.81Å; L278-F461 HydrophobicContact CD1-CZ 4.23Å; L293-F461 HydrophobicContact CD2-CZ 4.27Å; L297-F461 HydrophobicContact CD2-CE1 4.45Å; L297-F461 HydrophobicContact CD2-CZ 3.96Å; K301-F461 HydrophobicContact CD-CE2 4.26Å; K301-F461 HydrophobicContact CD-CZ 4.17Å; L445-F461 VanDerWaalsContact O-CB 3.32Å; L445-F461 WeakPolarHBondContact O-CB 3.49Å; L445-F461 WeakPolarHBondContact O-CG 3.27Å; E447-F461 WeakPolarHBondContact O-CD2 3.49Å; L449-F461 HydrophobicContact CD1-CE2 3.93Å; L449-F461 HydrophobicContact CD1-CZ 3.99Å; L449-F461 HydrophobicContact CG-CE2 3.96Å; V459-F461 HydrophobicContact CB-CE2 4.42Å; V459-F461 HydrophobicContact CG1-CE1 4.44Å; V459-F461 HydrophobicContact CG1-CE2 3.8Å; V459-F461 HydrophobicContact CG1-CZ 3.74Å; F461-T466 HydrophobicContact CB-CG2 4.37Å; F461-R483 PolarHBondContact O-NH2 2.83Å; F461-E484 VanDerWaalsContact O-CG 3.25Å; F461-E484 WeakPolarHBondContact O-CG 3.31Å
462A98.9Very high90.9Very high5 Ų538.1 Ų38.14%0.04122%0.22CC..  trans-134.3171.9174.300000110.5I277 L278 T279 E484I277-A462 HydrophobicContact CG2-CB 4.11Å; L278-A462 PolarHBondContact O-N 2.96Å; T279-A462 WeakPolarHBondContact CA-O 3.11Å; T279-A462 HydrophobicContact CG2-CB 4.11Å; A462-E484 HydrophobicContact CB-CB 4.43Å; A462-E484 HydrophobicContact CB-CG 3.89Å
463G98.7Very high92.3Very high8 Ų830.7 Ų30.78%0.08219%0.186CC..SBendtrans117.2162.1-170.500000111.2A465 T466 T480G463-A465 PolarHBondContact O-N 2.98Å; G463-A465 VanDerWaalsContact O-N 3.15Å; G463-T466 PolarHBondContact O-N 3.35Å; G463-T466 PolarHBondContact O-OG1 3.17Å; G463-T480 PolarHBondContact N-OG1 3.36Å; G463-T480 PolarHBondContact O-OG1 3.46Å
464E98.5Very high93.9Very high7 Ų727.7 Ų27.73%0.03315%0.152CC..G310 helixtrans-52.9-39.6-171.654.179.2-166.900113.3R47 T431 T466 H467 F471 S472 A477R47-E464 IonicContact CZ-OE1 2.69Å; R47-E464 IonicContact NH1-OE1 3.22Å; R47-E464 PolarHBondContact NH1-OE1 2.82Å; R47-E464 IonicContact NH2-OE1 3.94Å; R47-E464 PolarHBondContact NH2-OE1 3.29Å; T431-E464 VanDerWaalsContact CB-OE2 3.3Å; T431-E464 WeakPolarHBondContact CB-OE2 3.3Å; T431-E464 VanDerWaalsContact OG1-CD 3.29Å; T431-E464 PolarHBondContact OG1-OE1 3.42Å; T431-E464 VanDerWaalsContact OG1-OE1 3.05Å; T431-E464 PolarHBondContact OG1-OE2 3.4Å; E464-T466 PolarHBondContact O-N 2.81Å; E464-H467 PolarHBondContact O-N 2.87Å; E464-H467 VanDerWaalsContact O-N 3.1Å; E464-F471 WeakPolarHBondContact O-CA 3.36Å; E464-S472 WeakPolarHBondContact OE2-CA 3.34Å; E464-S472 PolarHBondContact OE2-N 3.49Å; E464-A477 HydrophobicContact CB-CB 4.13Å
465A98.3Very high95.6Very high7 Ų722.1 Ų22.16%0.05813%0.126CC..G310 helixtrans-61.6-14.3-178.900000113.7L282 M308 T431 L445 G463L282-A465 HydrophobicContact CB-CB 3.89Å; L282-A465 HydrophobicContact CD2-CB 4.26Å; M308-A465 HydrophobicContact CE-CB 4.48Å; M308-A465 WeakPolarHBondContact CE-O 3.47Å; T431-A465 HydrophobicContact CG2-CB 4.31Å; T431-A465 WeakPolarHBondContact OG1-CB 3.2Å; L445-A465 HydrophobicContact CD2-CB 3.71Å; G463-A465 PolarHBondContact O-N 2.98Å; G463-A465 VanDerWaalsContact O-N 3.15Å
466T98.6Very high96.9Very high6 Ų616.1 Ų16.14%0.03710%0.098CC..G310 helixtrans-1002.9-176.173.80000113.1L445 F461 G463 E464 T480 R483L445-T466 HydrophobicContact CD2-CG2 4.19Å; L445-T466 HydrophobicContact CG-CG2 4.06Å; F461-T466 HydrophobicContact CB-CG2 4.37Å; G463-T466 PolarHBondContact O-N 3.35Å; G463-T466 PolarHBondContact O-OG1 3.17Å; E464-T466 PolarHBondContact O-N 2.81Å; T466-T480 VanDerWaalsContact OG1-CB 3.25Å; T466-T480 WeakPolarHBondContact OG1-CB 3.41Å; T466-T480 WeakPolarHBondContact OG1-CG2 3.5Å; T466-R483 PolarHBondContact O-NH1 3.3Å; T466-R483 PolarHBondContact OG1-NH2 2.92Å
467H98.4Very high97.6Very high29 Ų2913.6 Ų13.613%0.1348%0.082CC..  trans-94.2128.9176.4-159.9-78.1000110.8E464 S469 F470 T480E464-H467 PolarHBondContact O-N 2.87Å; E464-H467 VanDerWaalsContact O-N 3.1Å; H467-S469 VanDerWaalsContact C-N 3.27Å; H467-S469 PolarHBondContact ND1-N 3.38Å; H467-S469 PolarHBondContact O-N 3.27Å; H467-F470 HydrophobicContact CB-CB 4.42Å; H467-F470 AromaticContact CE1-CD2 3.07Å; H467-F470 WeakPolarHBondContact CE1-CD2 3.43Å; H467-F470 AromaticContact CE1-CE2 3.73Å; H467-F470 AromaticContact CE1-CG 3.74Å; H467-F470 WeakPolarHBondContact ND1-CB 3.39Å; H467-F470 AromaticContact ND1-CD2 3.54Å; H467-F470 AromaticContact ND1-CG 3.72Å; H467-F470 PolarHBondContact ND1-N 3.27Å; H467-F470 AromaticContact NE2-CD2 3.6Å; H467-T480 HydrophobicContact CB-CG2 3.7Å
468P96.3Very high97.9Very high36 Ų3612.8 Ų12.823%0.2348%0.078CC..SBendtrans-64.9-27.7-174.925.5-35.7000114.4L439L439-P468 HydrophobicContact CD1-CB 3.48Å; L439-P468 VanDerWaalsContact CD1-CB 3.48Å
469S95.9Very high98.1Very high31 Ų3114.7 Ų14.722%0.2179%0.088CC..SBendtrans-131.2-6.5-172.7-57.40000116.2L206 Y207 K208 H467L206-S469 VanDerWaalsContact O-CA 3.23Å; L206-S469 WeakPolarHBondContact O-CA 3.4Å; L206-S469 WeakPolarHBondContact O-CB 3.36Å; L206-S469 PolarHBondContact O-OG 3.3Å; Y207-S469 WeakPolarHBondContact CA-O 3.42Å; K208-S469 PolarHBondContact N-O 3.18Å; H467-S469 VanDerWaalsContact C-N 3.27Å; H467-S469 PolarHBondContact ND1-N 3.38Å; H467-S469 PolarHBondContact O-N 3.27Å
470F96.9Very high98.1Very high32 Ų3214.7 Ų14.714%0.149%0.088CC..  trans-131.333.5-176.1-56.3-46.2000109K208 L210 H467 T473 H475 G476 L479K208-F470 HydrophobicContact CB-CE1 4.01Å; K208-F470 WeakPolarHBondContact O-CD1 3.39Å; K208-F470 VanDerWaalsContact O-CE1 3.27Å; K208-F470 WeakPolarHBondContact O-CE1 3.38Å; L210-F470 HydrophobicContact CD1-CE1 4.47Å; L210-F470 HydrophobicContact CD1-CZ 4.45Å; L210-F470 HydrophobicContact CD2-CE1 4.07Å; L210-F470 HydrophobicContact CD2-CZ 3.83Å; L210-F470 HydrophobicContact CG-CE1 4.09Å; L210-F470 HydrophobicContact CG-CZ 4.26Å; H467-F470 HydrophobicContact CB-CB 4.42Å; H467-F470 AromaticContact CE1-CD2 3.07Å; H467-F470 WeakPolarHBondContact CE1-CD2 3.43Å; H467-F470 AromaticContact CE1-CE2 3.73Å; H467-F470 AromaticContact CE1-CG 3.74Å; H467-F470 WeakPolarHBondContact ND1-CB 3.39Å; H467-F470 AromaticContact ND1-CD2 3.54Å; H467-F470 AromaticContact ND1-CG 3.72Å; H467-F470 PolarHBondContact ND1-N 3.27Å; H467-F470 AromaticContact NE2-CD2 3.6Å; F470-T473 PolarHBondContact O-OG1 3.44Å; F470-T473 VanDerWaalsContact O-OG1 3.05Å; F470-H475 AromaticContact CD1-NE2 3.56Å; F470-H475 AromaticContact CD2-CD2 3.94Å; F470-H475 AromaticContact CG-CD2 3.65Å; F470-H475 AromaticContact CG-NE2 3.54Å; F470-G476 WeakPolarHBondContact O-CA 3.44Å; F470-L479 HydrophobicContact CD2-CD1 3.8Å; F470-L479 HydrophobicContact CE2-CD1 4.17Å
471F96.2Very high98.1Very high10 Ų1014.7 Ų14.74%0.0449%0.088CC..THydrogen-bonded Turntrans-59.8155.9170.347.3-98000109.6L206 Y207 T433 I442 E464 T473L206-F471 HydrophobicContact CB-CE1 3.96Å; L206-F471 HydrophobicContact CB-CZ 4.35Å; Y207-F471 HydrophobicContact CD2-CD2 4.42Å; Y207-F471 HydrophobicContact CD2-CE2 4.1Å; Y207-F471 HydrophobicContact CD2-CZ 4.38Å; T433-F471 HydrophobicContact CG2-CE1 4.07Å; T433-F471 HydrophobicContact CG2-CE2 4.02Å; T433-F471 HydrophobicContact CG2-CZ 3.61Å; I442-F471 HydrophobicContact CD1-CD1 4.03Å; I442-F471 HydrophobicContact CD1-CE1 4.28Å; E464-F471 WeakPolarHBondContact O-CA 3.36Å; F471-T473 PolarHBondContact O-N 2.91Å; F471-T473 VanDerWaalsContact O-N 3.09Å
472S96.7Very high98.1Very high35 Ų3517.7 Ų17.725%0.24510%0.099CC..THydrogen-bonded Turntrans68.71.2-179.3-46.10000116.3T431 E464T431-S472 PolarHBondContact O-OG 3.24Å; E464-S472 WeakPolarHBondContact OE2-CA 3.34Å; E464-S472 PolarHBondContact OE2-N 3.49Å
473T98.1Very high98.1Very high11 Ų1120.7 Ų20.77%0.06711%0.109CC..SBendtrans-111.8157.5-179.479.80000113.8Y207 F470 F471 H475 G476 A477Y207-T473 HydrophobicContact CE2-CG2 3.75Å; F470-T473 PolarHBondContact O-OG1 3.44Å; F470-T473 VanDerWaalsContact O-OG1 3.05Å; F471-T473 PolarHBondContact O-N 2.91Å; F471-T473 VanDerWaalsContact O-N 3.09Å; T473-H475 WeakPolarHBondContact CB-CE1 3.42Å; T473-H475 PolarHBondContact OG1-CD2 3.47Å; T473-H475 PolarHBondContact OG1-CE1 3.08Å; T473-H475 PolarHBondContact OG1-ND1 2.73Å; T473-H475 PolarHBondContact OG1-NE2 3.28Å; T473-G476 PolarHBondContact OG1-N 3Å; T473-A477 PolarHBondContact O-N 3.23Å; T473-A477 VanDerWaalsContact O-N 3.12Å
474V98.6Very high98.1Very high20 Ų2020.3 Ų20.312%0.12111%0.105CC..Hα-helixtrans-64.7-40.5174175.20000111.5I18 I48 A62 V74 Y221 A477 L478I18-V474 HydrophobicContact CD1-CG1 3.36Å; I18-V474 HydrophobicContact CG2-CG1 4.19Å; I48-V474 HydrophobicContact CD1-CG1 3.84Å; I48-V474 HydrophobicContact CD1-CG2 4.18Å; I48-V474 HydrophobicContact CG1-CG2 4.04Å; A62-V474 HydrophobicContact CB-CG2 3.51Å; V74-V474 HydrophobicContact CG1-CG1 4.32Å; V74-V474 HydrophobicContact CG2-CB 4.48Å; V74-V474 HydrophobicContact CG2-CG1 3.82Å; Y221-V474 HydrophobicContact CE1-CG2 4.27Å; Y221-V474 HydrophobicContact CE2-CG1 4.04Å; Y221-V474 WeakPolarHBondContact OH-CB 3.25Å; V474-A477 PolarHBondContact O-N 2.76Å; V474-L478 PolarHBondContact O-N 3.46Å
475H98.4Very high98.1Very high5 Ų520 Ų202%0.02310%0.104CC..Hα-helixtrans-70.8-37.4-179.857.5-96.5000112N72 P73 V74 F470 T473 L478 L479N72-H475 WeakPolarHBondContact OD1-CB 3.33Å; P73-H475 HydrophobicContact CG-CB 4.24Å; V74-H475 HydrophobicContact CB-CB 4.33Å; V74-H475 HydrophobicContact CG2-CB 3.65Å; F470-H475 AromaticContact CD1-NE2 3.56Å; F470-H475 AromaticContact CD2-CD2 3.94Å; F470-H475 AromaticContact CG-CD2 3.65Å; F470-H475 AromaticContact CG-NE2 3.54Å; T473-H475 WeakPolarHBondContact CB-CE1 3.42Å; T473-H475 PolarHBondContact OG1-CD2 3.47Å; T473-H475 PolarHBondContact OG1-CE1 3.08Å; T473-H475 PolarHBondContact OG1-ND1 2.73Å; T473-H475 PolarHBondContact OG1-NE2 3.28Å; H475-L478 PolarHBondContact O-N 2.99Å; H475-L479 WeakPolarHBondContact O-CB 3.41Å; H475-L479 VanDerWaalsContact O-CG 3.23Å; H475-L479 WeakPolarHBondContact O-CG 3.33Å; H475-L479 PolarHBondContact O-N 3.25Å
476G98.5Very high98.1Very high0 Ų020.5 Ų20.50%011%0.11CC..Hα-helixtrans-62.1-42171.200000112.4F470 T473 L478 L479 T480F470-G476 WeakPolarHBondContact O-CA 3.44Å; T473-G476 PolarHBondContact OG1-N 3Å; G476-L478 PolarHBondContact O-N 2.76Å; G476-L479 PolarHBondContact O-N 3.1Å; G476-T480 WeakPolarHBondContact O-CG2 3.34Å; G476-T480 PolarHBondContact O-N 2.95Å; G476-T480 PolarHBondContact O-OG1 2.82Å; G476-T480 VanDerWaalsContact O-OG1 3.13Å
477A98.9Very high97.9Very high9 Ų923.6 Ų23.67%0.07412%0.121CC..Hα-helixtrans-59.5-46.4172.600000112.3I18 S19 E464 T473 V474 T480 G481I18-A477 HydrophobicContact CG2-CB 3.55Å; S19-A477 VanDerWaalsContact CA-O 3.28Å; S19-A477 WeakPolarHBondContact CA-O 3.4Å; S19-A477 WeakPolarHBondContact CB-O 3.46Å; E464-A477 HydrophobicContact CB-CB 4.13Å; T473-A477 PolarHBondContact O-N 3.23Å; T473-A477 VanDerWaalsContact O-N 3.12Å; V474-A477 PolarHBondContact O-N 2.76Å; A477-T480 PolarHBondContact O-N 2.94Å; A477-T480 PolarHBondContact O-OG1 2.9Å; A477-G481 PolarHBondContact O-N 3.49Å; A477-G481 VanDerWaalsContact O-N 3.12Å
478L98.9Very high97.8Very high1 Ų122.2 Ų22.21%0.00511%0.114CC..Hα-helixtrans-61.1-47.6177.7177.960.5000112.1I18 P73 V74 L77 V474 H475 G476 T480 G481 W482I18-L478 HydrophobicContact CD1-CB 4.23Å; I18-L478 HydrophobicContact CG1-CB 4.27Å; I18-L478 HydrophobicContact CG1-CD1 4.24Å; P73-L478 HydrophobicContact CB-CD2 4.01Å; P73-L478 HydrophobicContact CG-CD2 4.19Å; V74-L478 HydrophobicContact CG2-CD2 4.02Å; L77-L478 HydrophobicContact CD1-CD2 3.57Å; V474-L478 PolarHBondContact O-N 3.46Å; H475-L478 PolarHBondContact O-N 2.99Å; G476-L478 PolarHBondContact O-N 2.76Å; L478-T480 VanDerWaalsContact C-N 3.33Å; L478-T480 PolarHBondContact O-N 3.3Å; L478-G481 PolarHBondContact O-N 3.21Å; L478-W482 HydrophobicContact CD1-CD2 4.43Å; L478-W482 HydrophobicContact CD1-CZ2 3.9Å; L478-W482 HydrophobicContact CD2-CH2 4.05Å; L478-W482 HydrophobicContact CD2-CZ2 3.83Å; L478-W482 HydrophobicContact CG-CD2 4.32Å; L478-W482 HydrophobicContact CG-CH2 4.32Å; L478-W482 HydrophobicContact CG-CZ2 3.88Å; L478-W482 PolarHBondContact O-N 3.2Å
479L98.8Very high97.7Very high47 Ų4721.6 Ų21.625%0.24611%0.109CC..Hα-helixtrans-59.8-41.5179.6-74.1169.1000112.1P73 F470 H475 G476 W482 R483P73-L479 HydrophobicContact CG-CD1 4.35Å; P73-L479 HydrophobicContact CG-CD2 3.89Å; P73-L479 HydrophobicContact CG-CG 3.9Å; F470-L479 HydrophobicContact CD2-CD1 3.8Å; F470-L479 HydrophobicContact CE2-CD1 4.17Å; H475-L479 WeakPolarHBondContact O-CB 3.41Å; H475-L479 VanDerWaalsContact O-CG 3.23Å; H475-L479 WeakPolarHBondContact O-CG 3.33Å; H475-L479 PolarHBondContact O-N 3.25Å; G476-L479 PolarHBondContact O-N 3.1Å; L479-W482 HydrophobicContact CD2-CE3 4.06Å; L479-W482 HydrophobicContact CD2-CZ3 4.29Å; L479-W482 WeakPolarHBondContact O-CB 3.29Å; L479-W482 PolarHBondContact O-N 3.4Å; L479-R483 WeakPolarHBondContact O-CB 3.3Å; L479-R483 PolarHBondContact O-N 3.21Å
480T98.9Very high97.6Very high0 Ų023.8 Ų23.80%012%0.124CC..Hα-helixtrans-69.2-34.1178.258.30000112.2G463 T466 H467 G476 A477 L478 R483 E484G463-T480 PolarHBondContact N-OG1 3.36Å; G463-T480 PolarHBondContact O-OG1 3.46Å; T466-T480 VanDerWaalsContact OG1-CB 3.25Å; T466-T480 WeakPolarHBondContact OG1-CB 3.41Å; T466-T480 WeakPolarHBondContact OG1-CG2 3.5Å; H467-T480 HydrophobicContact CB-CG2 3.7Å; G476-T480 WeakPolarHBondContact O-CG2 3.34Å; G476-T480 PolarHBondContact O-N 2.95Å; G476-T480 PolarHBondContact O-OG1 2.82Å; G476-T480 VanDerWaalsContact O-OG1 3.13Å; A477-T480 PolarHBondContact O-N 2.94Å; A477-T480 PolarHBondContact O-OG1 2.9Å; L478-T480 VanDerWaalsContact C-N 3.33Å; L478-T480 PolarHBondContact O-N 3.3Å; T480-R483 WeakPolarHBondContact O-CB 3.44Å; T480-R483 PolarHBondContact O-N 2.85Å; T480-E484 PolarHBondContact O-N 3.31Å; T480-E484 VanDerWaalsContact O-N 3.1Å
481G98.9Very high97.3Very high0 Ų025.5 Ų25.50%013%0.133CC..Hα-helixtrans-60-46.6169.100000112.2S19 A23 A477 L478 R483 E484 A485S19-G481 VanDerWaalsContact O-CA 3.27Å; S19-G481 WeakPolarHBondContact O-CA 3.35Å; A23-G481 WeakPolarHBondContact CA-O 3.46Å; A23-G481 WeakPolarHBondContact CB-O 3.29Å; A477-G481 PolarHBondContact O-N 3.49Å; A477-G481 VanDerWaalsContact O-N 3.12Å; L478-G481 PolarHBondContact O-N 3.21Å; G481-R483 VanDerWaalsContact C-N 3.3Å; G481-R483 PolarHBondContact O-N 3.4Å; G481-E484 PolarHBondContact O-N 3.08Å; G481-A485 WeakPolarHBondContact O-CB 3.5Å; G481-A485 PolarHBondContact O-N 2.88Å; G481-A485 VanDerWaalsContact O-N 3.08Å
482W98.9Very high96.9Very high73 Ų7326.6 Ų26.628%0.27714%0.136SC..Hα-helixtrans-65.2-31.3175.2-70.6-7.3000114G22 K26 P73 L77 L478 L479 G486G22-W482 VanDerWaalsContact O-CD1 3.3Å; K26-W482 HydrophobicContact CD-CB 3.86Å; K26-W482 HydrophobicContact CD-CG 4.03Å; K26-W482 WeakPolarHBondContact CD-O 3.39Å; K26-W482 PolarHBondContact NZ-O 2.77Å; P73-W482 HydrophobicContact CB-CH2 3.53Å; P73-W482 HydrophobicContact CB-CZ3 3.55Å; P73-W482 HydrophobicContact CG-CZ3 4.28Å; L77-W482 HydrophobicContact CD1-CZ2 4.17Å; L478-W482 HydrophobicContact CD1-CD2 4.43Å; L478-W482 HydrophobicContact CD1-CZ2 3.9Å; L478-W482 HydrophobicContact CD2-CH2 4.05Å; L478-W482 HydrophobicContact CD2-CZ2 3.83Å; L478-W482 HydrophobicContact CG-CD2 4.32Å; L478-W482 HydrophobicContact CG-CH2 4.32Å; L478-W482 HydrophobicContact CG-CZ2 3.88Å; L478-W482 PolarHBondContact O-N 3.2Å; L479-W482 HydrophobicContact CD2-CE3 4.06Å; L479-W482 HydrophobicContact CD2-CZ3 4.29Å; L479-W482 WeakPolarHBondContact O-CB 3.29Å; L479-W482 PolarHBondContact O-N 3.4Å; W482-G486 PolarHBondContact O-N 3.41Å
483R98.8Very high96.3Very high68 Ų6827.9 Ų27.926%0.25715%0.146SC..Hα-helixtrans-64.2-51.9175.2-177.8-169.968-149.1-6.7110.6F461 T466 L479 T480 G481 G486 R487F461-R483 PolarHBondContact O-NH2 2.83Å; T466-R483 PolarHBondContact O-NH1 3.3Å; T466-R483 PolarHBondContact OG1-NH2 2.92Å; L479-R483 WeakPolarHBondContact O-CB 3.3Å; L479-R483 PolarHBondContact O-N 3.21Å; T480-R483 WeakPolarHBondContact O-CB 3.44Å; T480-R483 PolarHBondContact O-N 2.85Å; G481-R483 VanDerWaalsContact C-N 3.3Å; G481-R483 PolarHBondContact O-N 3.4Å; R483-G486 CarbonylContact O-C 3.59Å; R483-G486 WeakPolarHBondContact O-CA 3.4Å; R483-G486 PolarHBondContact O-N 3.5Å; R483-R487 PolarHBondContact O-N 3.46Å
484E98.8Very high95Very high0 Ų030 Ų300%016%0.164CC..Hα-helixtrans-71.5-35.7-177.1-63.1-46.5113.900112.7I277 L460 F461 A462 T480 G481 G486 R487 L488I277-E484 HydrophobicContact CD1-CB 4.36Å; I277-E484 HydrophobicContact CG2-CB 4.13Å; L460-E484 HydrophobicContact CB-CB 4.17Å; L460-E484 HydrophobicContact CB-CG 4.17Å; L460-E484 WeakPolarHBondContact CB-OE2 3.38Å; L460-E484 HydrophobicContact CD2-CB 4.09Å; L460-E484 WeakPolarHBondContact CD2-OE2 3.32Å; F461-E484 VanDerWaalsContact O-CG 3.25Å; F461-E484 WeakPolarHBondContact O-CG 3.31Å; A462-E484 HydrophobicContact CB-CB 4.43Å; A462-E484 HydrophobicContact CB-CG 3.89Å; T480-E484 PolarHBondContact O-N 3.31Å; T480-E484 VanDerWaalsContact O-N 3.1Å; G481-E484 PolarHBondContact O-N 3.08Å; E484-G486 VanDerWaalsContact C-N 3.33Å; E484-G486 PolarHBondContact O-N 2.95Å; E484-R487 WeakPolarHBondContact O-CB 3.34Å; E484-R487 PolarHBondContact O-N 3.29Å; E484-R487 IonicContact OE1-CZ 2.76Å; E484-R487 IonicContact OE1-NE 3.46Å; E484-R487 IonicContact OE1-NH2 3.45Å; E484-R487 PolarHBondContact OE1-NH2 3.13Å; E484-R487 IonicContact OE2-CZ 2.76Å; E484-R487 IonicContact OE2-NE 3.84Å; E484-R487 PolarHBondContact OE2-NE 3.16Å; E484-R487 IonicContact OE2-NH2 3.56Å; E484-L488 PolarHBondContact O-N 3.48Å; E484-L488 VanDerWaalsContact O-N 3.17Å
485A98.5Very high92.9Very high0 Ų034.3 Ų34.30%019%0.192CC..Hα-helixtrans-60-44.3168.200000111.9A23 K26 L27 G481 R487 L488 I489A23-A485 HydrophobicContact CB-CB 4.29Å; A23-A485 WeakPolarHBondContact O-CB 3.46Å; K26-A485 HydrophobicContact CB-CB 3.8Å; K26-A485 HydrophobicContact CD-CB 4.09Å; K26-A485 HydrophobicContact CG-CB 4.09Å; L27-A485 HydrophobicContact CD2-CB 4.15Å; L27-A485 HydrophobicContact CG-CB 3.82Å; G481-A485 WeakPolarHBondContact O-CB 3.5Å; G481-A485 PolarHBondContact O-N 2.88Å; G481-A485 VanDerWaalsContact O-N 3.08Å; A485-R487 VanDerWaalsContact C-N 3.29Å; A485-R487 PolarHBondContact O-N 3.01Å; A485-L488 PolarHBondContact O-N 3.12Å; A485-I489 WeakPolarHBondContact O-CD1 3.12Å; A485-I489 VanDerWaalsContact O-CG1 3.27Å; A485-I489 WeakPolarHBondContact O-CG1 3.36Å; A485-I489 PolarHBondContact O-N 2.8Å
486G97.5Very high90.5Very high18 Ų1839.1 Ų39.119%0.18623%0.227CC..Hα-helixtrans-59.1-39.3174.500000112.6W482 R483 E484 L488 I489 S490W482-G486 PolarHBondContact O-N 3.41Å; R483-G486 CarbonylContact O-C 3.59Å; R483-G486 WeakPolarHBondContact O-CA 3.4Å; R483-G486 PolarHBondContact O-N 3.5Å; E484-G486 VanDerWaalsContact C-N 3.33Å; E484-G486 PolarHBondContact O-N 2.95Å; G486-L488 PolarHBondContact O-N 3Å; G486-I489 PolarHBondContact O-N 2.81Å; G486-S490 WeakPolarHBondContact O-CB 3.37Å; G486-S490 PolarHBondContact O-N 2.62Å; G486-S490 PolarHBondContact O-OG 2.88Å; G486-S490 VanDerWaalsContact O-OG 3.13Å
487R96.1Very high87.8Confident70 Ų7045.2 Ų45.226%0.26426%0.264SS..Hα-helixtrans-59.7-45.5176.2-166.1-173.1-56.4-80.2-3111.9L457 L460 R483 E484 A485 S490 H491L457-R487 HydrophobicContact CD1-CG 3.88Å; L460-R487 HydrophobicContact CD2-CB 4.15Å; L460-R487 HydrophobicContact CD2-CG 4.36Å; R483-R487 PolarHBondContact O-N 3.46Å; E484-R487 WeakPolarHBondContact O-CB 3.34Å; E484-R487 PolarHBondContact O-N 3.29Å; E484-R487 IonicContact OE1-CZ 2.76Å; E484-R487 IonicContact OE1-NE 3.46Å; E484-R487 IonicContact OE1-NH2 3.45Å; E484-R487 PolarHBondContact OE1-NH2 3.13Å; E484-R487 IonicContact OE2-CZ 2.76Å; E484-R487 IonicContact OE2-NE 3.84Å; E484-R487 PolarHBondContact OE2-NE 3.16Å; E484-R487 IonicContact OE2-NH2 3.56Å; A485-R487 VanDerWaalsContact C-N 3.29Å; A485-R487 PolarHBondContact O-N 3.01Å; R487-S490 PolarHBondContact O-N 3.41Å; R487-H491 WeakPolarHBondContact O-CB 3.34Å; R487-H491 PolarHBondContact O-N 3.41Å
488L95.4Very high84.9Confident0 Ų053.5 Ų53.50%030%0.299CS..Hα-helixtrans-68.1-40.7176.7-68.4-178.2000112.6I11 L27 H275 I277 L457 L460 E484 A485 G486 S490 H491 Y492I11-L488 HydrophobicContact CD1-CD1 3.87Å; I11-L488 HydrophobicContact CG1-CD1 4.26Å; I11-L488 HydrophobicContact CG2-CD1 4.01Å; L27-L488 HydrophobicContact CD2-CB 4.16Å; L27-L488 HydrophobicContact CD2-CD1 4.42Å; H275-L488 HydrophobicContact CB-CD1 4.08Å; H275-L488 HydrophobicContact CB-CD2 4.09Å; H275-L488 WeakPolarHBondContact ND1-CD2 3.31Å; I277-L488 HydrophobicContact CD1-CD1 4.09Å; I277-L488 HydrophobicContact CG1-CD1 4.29Å; L457-L488 HydrophobicContact CD1-CD2 4.3Å; L460-L488 HydrophobicContact CD1-CD1 4.5Å; L460-L488 HydrophobicContact CD1-CD2 3.89Å; L460-L488 HydrophobicContact CD1-CG 4.37Å; L460-L488 HydrophobicContact CD2-CD1 4.38Å; L460-L488 HydrophobicContact CD2-CD2 3.84Å; L460-L488 HydrophobicContact CD2-CG 3.75Å; E484-L488 PolarHBondContact O-N 3.48Å; E484-L488 VanDerWaalsContact O-N 3.17Å; A485-L488 PolarHBondContact O-N 3.12Å; G486-L488 PolarHBondContact O-N 3Å; L488-S490 VanDerWaalsContact C-N 3.32Å; L488-S490 PolarHBondContact O-N 2.69Å; L488-H491 WeakPolarHBondContact O-CB 3.49Å; L488-H491 PolarHBondContact O-N 2.85Å; L488-Y492 VanDerWaalsContact O-CD2 3.3Å; L488-Y492 WeakPolarHBondContact O-CD2 3.5Å; L488-Y492 PolarHBondContact O-N 3.36Å
489I94.9Very high81.8Confident24 Ų2461.9 Ų61.912%0.12334%0.338CS..Hα-helixtrans-57.9-47.4174.9-68.3157.8000110.2K26 L27 H30 F32 A485 G486 Y492 S493K26-I489 HydrophobicContact CG-CD1 4.15Å; L27-I489 HydrophobicContact CD2-CG1 4.3Å; H30-I489 HydrophobicContact CB-CD1 3.89Å; H30-I489 HydrophobicContact CB-CG1 4.05Å; H30-I489 VanDerWaalsContact CG-CD1 3.47Å; F32-I489 HydrophobicContact CE2-CG1 3.74Å; F32-I489 HydrophobicContact CZ-CG1 4.43Å; A485-I489 WeakPolarHBondContact O-CD1 3.12Å; A485-I489 VanDerWaalsContact O-CG1 3.27Å; A485-I489 WeakPolarHBondContact O-CG1 3.36Å; A485-I489 PolarHBondContact O-N 2.8Å; G486-I489 PolarHBondContact O-N 2.81Å; I489-Y492 PolarHBondContact O-N 2.91Å; I489-S493 WeakPolarHBondContact O-CB 3.35Å; I489-S493 PolarHBondContact O-N 2.83Å; I489-S493 VanDerWaalsContact O-N 3.08Å; I489-S493 PolarHBondContact O-OG 3.26Å
490S92.8Very high79Confident76 Ų7665 Ų6553%0.53136%0.361SS..Hα-helixtrans-64.3-40.8177-65.40000112.3G486 R487 L488 Y492 S493 A494G486-S490 WeakPolarHBondContact O-CB 3.37Å; G486-S490 PolarHBondContact O-N 2.62Å; G486-S490 PolarHBondContact O-OG 2.88Å; G486-S490 VanDerWaalsContact O-OG 3.13Å; R487-S490 PolarHBondContact O-N 3.41Å; L488-S490 VanDerWaalsContact C-N 3.32Å; L488-S490 PolarHBondContact O-N 2.69Å; S490-Y492 VanDerWaalsContact C-N 3.25Å; S490-Y492 PolarHBondContact O-N 2.82Å; S490-S493 PolarHBondContact O-N 3.26Å; S490-S493 VanDerWaalsContact O-N 3.1Å; S490-A494 PolarHBondContact O-N 3.2Å
491H90.4Very high76Confident69 Ų6971 Ų7132%0.31940%0.398SS..Hα-helixtrans-55.2-40.2177.3177.673.2000112.4L457 R487 L488L457-H491 HydrophobicContact CD1-CB 4Å; R487-H491 WeakPolarHBondContact O-CB 3.34Å; R487-H491 PolarHBondContact O-N 3.41Å; L488-H491 WeakPolarHBondContact O-CB 3.49Å; L488-H491 PolarHBondContact O-N 2.85Å
492Y89Confident73.3Confident32 Ų3282.5 Ų82.513%0.12544%0.441CS..Hα-helixtrans-89.3-10.5178.7-72.4-67.9000115S9 F32 H275 L488 I489 S490S9-Y492 PolarHBondContact OG-OH 3.03Å; F32-Y492 AromaticContact CE1-CD2 3.72Å; F32-Y492 HydrophobicContact CE1-CD2 3.72Å; F32-Y492 HydrophobicContact CE1-CE2 4.08Å; F32-Y492 AromaticContact CZ-CD2 3.84Å; F32-Y492 HydrophobicContact CZ-CD2 3.84Å; H275-Y492 PolarHBondContact CD2-OH 3.48Å; H275-Y492 AromaticContact NE2-CE2 3.58Å; H275-Y492 AromaticContact NE2-CZ 3.5Å; H275-Y492 PolarHBondContact NE2-OH 3.23Å; L488-Y492 VanDerWaalsContact O-CD2 3.3Å; L488-Y492 WeakPolarHBondContact O-CD2 3.5Å; L488-Y492 PolarHBondContact O-N 3.36Å; I489-Y492 PolarHBondContact O-N 2.91Å; S490-Y492 VanDerWaalsContact C-N 3.25Å; S490-Y492 PolarHBondContact O-N 2.82Å
493S83.4Confident70.4Confident63 Ų6384.2 Ų84.244%0.44146%0.464SS..Hα-helixtrans-92.8-22.3177.1-57.90000112.8I489 S490I489-S493 WeakPolarHBondContact O-CB 3.35Å; I489-S493 PolarHBondContact O-N 2.83Å; I489-S493 VanDerWaalsContact O-N 3.08Å; I489-S493 PolarHBondContact O-OG 3.26Å; S490-S493 PolarHBondContact O-N 3.26Å; S490-S493 VanDerWaalsContact O-N 3.1Å
494A70.3Confident67.8Low54 Ų5490.1 Ų90.145%0.44649%0.492SS..SBendtrans-64.9137.2177.700000111.7S490 S496S490-A494 PolarHBondContact O-N 3.2Å; A494-S496 PolarHBondContact O-N 2.72Å
495P54.9Low64.7Low111 Ų111101.4 Ų101.472%0.72155%0.551SS**  trans-59.6133170.2-16.327.9000109.7T497P495-T497 PolarHBondContact O-N 3.08Å
496S48.7Very low63Low106 Ų106106.5 Ų106.574%0.74158%0.578SS**  trans-63.294.3179.4570000111.1A494 F498A494-S496 PolarHBondContact O-N 2.72Å; S496-F498 PolarHBondContact O-N 2.76Å; S496-F498 VanDerWaalsContact O-N 3.08Å
497T41.4Very low61.2Low128 Ų128111.2 Ų111.279%0.78560%0.599SS**  trans-83.557169.249.40000110.3P495P495-T497 PolarHBondContact O-N 3.08Å
498F38.6Very low59.3Low184 Ų184113.4 Ų113.481%0.80762%0.618SS**  trans-147.489.8167.1-94.9-84.6000109.2S496S496-F498 PolarHBondContact O-N 2.76Å; S496-F498 VanDerWaalsContact O-N 3.08Å
499Q32.2Very low57.2Low177 Ų177120.1 Ų120.183%0.82765%0.654SS**  trans-108.4109.6149.7-81.2-169.6-14.700106.9T501Q499-T501 PolarHBondContact O-N 2.87Å; Q499-T501 VanDerWaalsContact O-N 3.15Å
500P40.3Very low54.8Low111 Ų111126.1 Ų126.172%0.72169%0.687SS**  trans-70.4107.315525.2-19.4000105.7R502P500-R502 PolarHBondContact O-N 3.15Å
501T35.8Very low52.3Low127 Ų127129.5 Ų129.578%0.77970%0.698SS**  trans-54.3102165.926.30000107.9Q499 S503Q499-T501 PolarHBondContact O-N 2.87Å; Q499-T501 VanDerWaalsContact O-N 3.15Å; T501-S503 PolarHBondContact O-N 3.07Å
502R42.2Very low49.6Very low241 Ų241133.8 Ų133.891%0.90973%0.725SS**  trans-65.692158.4-82.6-175.8174179.5-1.8106.6P500 K504P500-R502 PolarHBondContact O-N 3.15Å; R502-K504 PolarHBondContact O-N 2.91Å; R502-K504 VanDerWaalsContact O-N 3.07Å
503S39.4Very low46.5Very low109 Ų109141.6 Ų141.676%0.76277%0.771SS**  trans-65.1102.7159.8179.30000107.4T501T501-S503 PolarHBondContact O-N 3.07Å
504K43Very low43.5Very low193 Ų193148.2 Ų148.284%0.83980%0.798SS**  trans-79.5109152.9-78-176.2175.6-177.10106.4R502R502-K504 PolarHBondContact O-N 2.91Å; R502-K504 VanDerWaalsContact O-N 3.07Å
505L34.7Very low41Very low237 Ų237156.7 Ų156.7100%1.24183%0.83SS**  trans179.10136.9-95.7157.1000108.7

Retrieved 505 of 505 residues in 1928.6 ms (Link to these results)

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