A0A3Q0KUJ8_SCHMA Loading...

Glutathione synthetase

AlphaFold DB , UniProt , Accession A0A3Q0KUJ8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 504 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
1M83.7Confident88.2Confident96 Ų9664.2 Ų64.247%0.47334%0.336SS..  0-66.60-168-160.8-58.900111.7K3 V4 A5 L177 H178M1-K3 PolarHBondContact O-N 3.45Å; M1-V4 WeakPolarHBondContact O-CB 3.12Å; M1-V4 PolarHBondContact O-N 3.41Å; M1-A5 PolarHBondContact O-N 3.48Å; M1-L177 WeakPolarHBondContact CE-O 3.35Å; M1-L177 HydrophobicContact CG-CB 3.9Å; M1-H178 HydrophobicContact CE-CB 4.15Å; M1-H178 HydrophobicContact SD-CB 4.07Å
2H83.2Confident88.6Confident69 Ų6962.4 Ų62.432%0.31933%0.327SS..Hα-helixtrans-58-41.5-171-51.7-57.9000116.1V4 A5 S6 L29 L447H2-V4 PolarHBondContact O-N 3.35Å; H2-A5 PolarHBondContact O-N 3.14Å; H2-S6 PolarHBondContact O-N 3.25Å; H2-S6 PolarHBondContact O-OG 3.24Å; H2-L29 VanDerWaalsContact CE1-CD2 3.49Å; H2-L29 WeakPolarHBondContact CE1-CD2 3.23Å; H2-L29 WeakPolarHBondContact ND1-CD2 3.33Å; H2-L447 HydrophobicContact CB-CD1 3.23Å; H2-L447 WeakPolarHBondContact ND1-CD1 3.45Å
3K86.2Confident89Confident122 Ų12258.4 Ų58.453%0.5331%0.31SS..Hα-helixtrans-54.5-52172.9-178.5-177.5175.4-175.30111.2M1 A5 S6 E7M1-K3 PolarHBondContact O-N 3.45Å; K3-A5 PolarHBondContact O-N 2.78Å; K3-S6 WeakPolarHBondContact O-CB 3.03Å; K3-S6 PolarHBondContact O-N 3.03Å; K3-S6 VanDerWaalsContact O-N 3.15Å; K3-E7 WeakPolarHBondContact CE-OE1 3.48Å; K3-E7 WeakPolarHBondContact O-CG 3.31Å; K3-E7 PolarHBondContact O-N 3.29Å
4V88.4Confident89.4Confident57 Ų5754.2 Ų54.235%0.34529%0.287SS..Hα-helixtrans-62.3-41.4178.4179.50000111.3M1 H2 S6 E7 F8 L177M1-V4 WeakPolarHBondContact O-CB 3.12Å; M1-V4 PolarHBondContact O-N 3.41Å; H2-V4 PolarHBondContact O-N 3.35Å; V4-S6 VanDerWaalsContact C-N 3.31Å; V4-S6 PolarHBondContact O-N 2.75Å; V4-E7 PolarHBondContact O-N 3.22Å; V4-F8 HydrophobicContact CG1-CD2 3.75Å; V4-F8 HydrophobicContact CG1-CE2 3.49Å; V4-F8 VanDerWaalsContact CG1-CE2 3.49Å; V4-F8 WeakPolarHBondContact O-CD2 3.19Å; V4-F8 PolarHBondContact O-N 2.84Å; V4-L177 HydrophobicContact CB-CD1 4.49Å; V4-L177 HydrophobicContact CG1-CD1 4.05Å; V4-L177 HydrophobicContact CG1-CD2 4.34Å
5A87.2Confident89.7Confident0 Ų052.4 Ų52.40%028%0.278CS..Hα-helixtrans-61.9-38.4175.400000112.3M1 H2 K3 F8 A9 L29 Q170 L177 L438M1-A5 PolarHBondContact O-N 3.48Å; H2-A5 PolarHBondContact O-N 3.14Å; K3-A5 PolarHBondContact O-N 2.78Å; A5-F8 PolarHBondContact O-N 2.84Å; A5-A9 PolarHBondContact O-N 3Å; A5-L29 HydrophobicContact CB-CD1 4.04Å; A5-Q170 PolarHBondContact O-NE2 3.49Å; A5-L177 HydrophobicContact CB-CD1 4.24Å; A5-L438 HydrophobicContact CB-CD1 3.92Å
6S86.8Confident90Very high11 Ų1151.6 Ų51.68%0.07727%0.271CS..Hα-helixtrans-68-40176-53.90000111.8H2 K3 V4 F8 A9 V10H2-S6 PolarHBondContact O-N 3.25Å; H2-S6 PolarHBondContact O-OG 3.24Å; K3-S6 WeakPolarHBondContact O-CB 3.03Å; K3-S6 PolarHBondContact O-N 3.03Å; K3-S6 VanDerWaalsContact O-N 3.15Å; V4-S6 VanDerWaalsContact C-N 3.31Å; V4-S6 PolarHBondContact O-N 2.75Å; S6-F8 VanDerWaalsContact C-N 3.34Å; S6-A9 WeakPolarHBondContact O-CB 3.43Å; S6-A9 PolarHBondContact O-N 2.92Å; S6-V10 PolarHBondContact O-N 3.35Å; S6-V10 VanDerWaalsContact O-N 3.13Å
7E89.7Confident90.1Very high102 Ų10249.9 Ų49.948%0.47726%0.264SS..Hα-helixtrans-61.6-41.4173.4-70.2165.2176.100111.3K3 V4 V10 S11K3-E7 WeakPolarHBondContact CE-OE1 3.48Å; K3-E7 WeakPolarHBondContact O-CG 3.31Å; K3-E7 PolarHBondContact O-N 3.29Å; V4-E7 PolarHBondContact O-N 3.22Å; E7-V10 PolarHBondContact O-N 3.27Å; E7-S11 WeakPolarHBondContact O-CB 3.39Å; E7-S11 PolarHBondContact O-N 3Å
8F91.1Very high90.1Very high76 Ų7648.8 Ų48.833%0.33326%0.263SS..Hα-helixtrans-64.2-38.1172.4-81-63.5000112.8V4 A5 S6 V10 S11 N12 Q170 I173 L177V4-F8 HydrophobicContact CG1-CD2 3.75Å; V4-F8 HydrophobicContact CG1-CE2 3.49Å; V4-F8 VanDerWaalsContact CG1-CE2 3.49Å; V4-F8 WeakPolarHBondContact O-CD2 3.19Å; V4-F8 PolarHBondContact O-N 2.84Å; A5-F8 PolarHBondContact O-N 2.84Å; S6-F8 VanDerWaalsContact C-N 3.34Å; F8-V10 VanDerWaalsContact C-N 3.29Å; F8-V10 PolarHBondContact O-N 3.2Å; F8-S11 CarbonylContact O-C 3.53Å; F8-S11 WeakPolarHBondContact O-CB 3.22Å; F8-S11 PolarHBondContact O-N 3.22Å; F8-S11 VanDerWaalsContact O-N 3.13Å; F8-N12 VanDerWaalsContact O-CB 3.29Å; F8-N12 WeakPolarHBondContact O-CB 3.23Å; F8-N12 PolarHBondContact O-N 3.3Å; F8-N12 PolarHBondContact O-ND2 3.27Å; F8-Q170 PolarHBondContact O-OE1 3.06Å; F8-I173 HydrophobicContact CB-CG2 4.48Å; F8-I173 HydrophobicContact CD1-CD1 4.14Å; F8-I173 HydrophobicContact CD1-CG2 4.47Å; F8-I173 HydrophobicContact CD2-CG2 3.64Å; F8-I173 HydrophobicContact CE2-CG2 3.87Å; F8-I173 HydrophobicContact CG-CD1 4.45Å; F8-I173 HydrophobicContact CG-CG2 3.97Å; F8-I173 HydrophobicContact CZ-CG2 4.4Å; F8-L177 HydrophobicContact CD2-CD1 4.08Å; F8-L177 HydrophobicContact CE2-CD1 4.23Å
9A90.3Very high90Very high0 Ų054.7 Ų54.70%029%0.294CS..Hα-helixtrans-61.8-40.4177.500000111.2A5 S6 N12 G13 I14 I24 Q170A5-A9 PolarHBondContact O-N 3Å; S6-A9 WeakPolarHBondContact O-CB 3.43Å; S6-A9 PolarHBondContact O-N 2.92Å; A9-N12 PolarHBondContact O-N 3.38Å; A9-G13 PolarHBondContact O-N 2.59Å; A9-I14 HydrophobicContact CB-CB 4.28Å; A9-I14 WeakPolarHBondContact O-CB 3.16Å; A9-I14 PolarHBondContact O-N 3.12Å; A9-I24 HydrophobicContact CB-CD1 3.63Å; A9-I24 HydrophobicContact CB-CG1 4.23Å; A9-Q170 HydrophobicContact CB-CG 4.49Å
10V91Very high89.9Confident79 Ų7955.5 Ų55.548%0.47932%0.315SS..Hα-helixtrans-63.9-47.1171.81760000110.8S6 E7 F8 N12 G13 L15 I24S6-V10 PolarHBondContact O-N 3.35Å; S6-V10 VanDerWaalsContact O-N 3.13Å; E7-V10 PolarHBondContact O-N 3.27Å; F8-V10 VanDerWaalsContact C-N 3.29Å; F8-V10 PolarHBondContact O-N 3.2Å; V10-N12 VanDerWaalsContact C-N 3.29Å; V10-N12 PolarHBondContact O-N 3.24Å; V10-G13 PolarHBondContact O-N 3.12Å; V10-L15 HydrophobicContact CG1-CD2 4.42Å; V10-L15 HydrophobicContact CG2-CD2 4.39Å; V10-I24 HydrophobicContact CG2-CB 4.48Å
11S92.1Very high90Very high94 Ų9457.8 Ų57.866%0.65733%0.327SS*.Hα-helixtrans-61.3-34.6178.5-172.20000113.3E7 F8 G13E7-S11 WeakPolarHBondContact O-CB 3.39Å; E7-S11 PolarHBondContact O-N 3Å; F8-S11 CarbonylContact O-C 3.53Å; F8-S11 WeakPolarHBondContact O-CB 3.22Å; F8-S11 PolarHBondContact O-N 3.22Å; F8-S11 VanDerWaalsContact O-N 3.13Å; S11-G13 PolarHBondContact O-N 3.23Å
12N93.2Very high90.4Very high43 Ų4357.1 Ų57.123%0.2333%0.329CS..THydrogen-bonded Turntrans-83.10.7176.9-71.3-34.6000112.3F8 A9 V10 I14 R166 Q170F8-N12 VanDerWaalsContact O-CB 3.29Å; F8-N12 WeakPolarHBondContact O-CB 3.23Å; F8-N12 PolarHBondContact O-N 3.3Å; F8-N12 PolarHBondContact O-ND2 3.27Å; A9-N12 PolarHBondContact O-N 3.38Å; V10-N12 VanDerWaalsContact C-N 3.29Å; V10-N12 PolarHBondContact O-N 3.24Å; N12-I14 HydrophobicContact CB-CG1 4.39Å; N12-R166 WeakPolarHBondContact O-CD 3.41Å; N12-Q170 PolarHBondContact ND2-OE1 3.19Å
13G93.8Very high90.8Very high10 Ų1054.9 Ų54.910%0.10332%0.322CS..THydrogen-bonded Turntrans71.529.3176.200000114.2A9 V10 S11 L15 L163A9-G13 PolarHBondContact O-N 2.59Å; V10-G13 PolarHBondContact O-N 3.12Å; S11-G13 PolarHBondContact O-N 3.23Å; G13-L15 PolarHBondContact O-N 3.07Å; G13-L163 WeakPolarHBondContact O-CD2 3.46Å
14I94.7Very high91.1Very high0 Ų049.7 Ų49.70%030%0.299CS..  trans-77.675.6171.7-52-58.4000108.7A9 N12 I24 L25 C27 R166 I167 L498A9-I14 HydrophobicContact CB-CB 4.28Å; A9-I14 WeakPolarHBondContact O-CB 3.16Å; A9-I14 PolarHBondContact O-N 3.12Å; N12-I14 HydrophobicContact CB-CG1 4.39Å; I14-I24 WeakPolarHBondContact O-CA 3.5Å; I14-L25 HydrophobicContact CG2-CB 4.09Å; I14-L25 PolarHBondContact O-N 2.88Å; I14-C27 HydrophobicContact CG2-CB 4.38Å; I14-R166 HydrophobicContact CD1-CB 3.6Å; I14-I167 HydrophobicContact CD1-CB 4.33Å; I14-I167 HydrophobicContact CD1-CD1 4.34Å; I14-I167 HydrophobicContact CG1-CD1 4.42Å; I14-L498 HydrophobicContact CD1-CD2 4.24Å; I14-L498 HydrophobicContact CG2-CD2 4.1Å
15L94.6Very high91.4Very high27 Ų2747 Ų4714%0.14128%0.283CS..EExtended strand (participates in β ladder)trans-126.5154.7-167.1-60.4175.7000112.5V10 G13 P22 S23 Y236V10-L15 HydrophobicContact CG1-CD2 4.42Å; V10-L15 HydrophobicContact CG2-CD2 4.39Å; G13-L15 PolarHBondContact O-N 3.07Å; L15-P22 HydrophobicContact CD1-CB 4.42Å; L15-S23 CarbonylContact C-O 3.6Å; L15-S23 VanDerWaalsContact CA-O 3.3Å; L15-S23 WeakPolarHBondContact CA-O 3.26Å; L15-Y236 HydrophobicContact CB-CD1 4.28Å; L15-Y236 HydrophobicContact CB-CD2 3.61Å; L15-Y236 HydrophobicContact CB-CE2 4.09Å; L15-Y236 HydrophobicContact CB-CG 3.73Å; L15-Y236 HydrophobicContact CD1-CD1 4.38Å; L15-Y236 HydrophobicContact CD1-CE1 4.41Å
16K93.3Very high91.7Very high39 Ų3948 Ų4817%0.1729%0.29CS..EExtended strand (participates in β ladder)trans-133.3168.8165.466.2172.1-178.3177.60109.7S23 L25 Y236K16-S23 PolarHBondContact N-O 3.25Å; K16-S23 PolarHBondContact O-N 3.42Å; K16-S23 VanDerWaalsContact O-O 3.07Å; K16-L25 HydrophobicContact CB-CB 4.38Å; K16-L25 HydrophobicContact CB-CD1 3.99Å; K16-L25 HydrophobicContact CD-CD1 4.06Å; K16-L25 HydrophobicContact CG-CD1 4.33Å; K16-Y236 WeakPolarHBondContact O-CE2 3.43Å
17V92.5Very high92.1Very high24 Ų2447.5 Ų47.515%0.14529%0.286CS..EExtended strand (participates in β ladder)trans-85.7127.6165.6-174.40000109.1N21 K233 I235 Y236V17-N21 WeakPolarHBondContact CA-O 3.43Å; V17-K233 PolarHBondContact N-O 3.35Å; V17-I235 HydrophobicContact CG2-CD1 3.39Å; V17-I235 HydrophobicContact CG2-CG1 3.55Å; V17-Y236 HydrophobicContact CG2-CD2 4.44Å; V17-Y236 HydrophobicContact CG2-CE2 3.84Å
18A89.8Confident92.4Very high30 Ų3042.6 Ų42.625%0.24826%0.263CS..EExtended strand (participates in β ladder)trans-129.5127.3166.100000107.8G20 N21A18-G20 PolarHBondContact O-N 3.49Å; A18-G20 VanDerWaalsContact O-N 3.15Å; A18-N21 PolarHBondContact N-O 2.84Å; A18-N21 PolarHBondContact O-N 3.23Å; A18-N21 VanDerWaalsContact O-O 3.09Å
19D89Confident92.6Very high161 Ų16139.3 Ų39.386%0.86125%0.249SC*.THydrogen-bonded Turntrans49.843179.1-50.2-37.1000113.6N21D19-N21 PolarHBondContact O-N 3.49Å; D19-N21 PolarHBondContact O-ND2 3.17Å
20G88.3Confident92.9Very high69 Ų6939.8 Ų39.871%0.71125%0.252SS*.THydrogen-bonded Turntrans75.6-2.1-179.800000115.6A18A18-G20 PolarHBondContact O-N 3.49Å; A18-G20 VanDerWaalsContact O-N 3.15Å
21N91.5Very high93.3Very high105 Ų10536 Ų3656%0.56123%0.229SC*.EExtended strand (participates in β ladder)trans-116153.6-175.3-67.7-73.2000112.3V17 A18 D19 S23V17-N21 WeakPolarHBondContact CA-O 3.43Å; A18-N21 PolarHBondContact N-O 2.84Å; A18-N21 PolarHBondContact O-N 3.23Å; A18-N21 VanDerWaalsContact O-O 3.09Å; D19-N21 PolarHBondContact O-N 3.49Å; D19-N21 PolarHBondContact O-ND2 3.17Å; N21-S23 PolarHBondContact O-N 2.77Å
22P92Very high93.6Very high81 Ų8131.5 Ų31.553%0.52620%0.197SC..EExtended strand (participates in β ladder)trans-58.6127.2166.5-6.713.3000110.6L15 Y236L15-P22 HydrophobicContact CD1-CB 4.42Å; P22-Y236 WeakPolarHBondContact CA-OH 3.23Å; P22-Y236 HydrophobicContact CB-CE2 4.26Å; P22-Y236 VanDerWaalsContact CB-OH 3.23Å; P22-Y236 WeakPolarHBondContact CB-OH 3.42Å; P22-Y236 WeakPolarHBondContact CG-OH 3.44Å
23S92.1Very high93.8Very high23 Ų2329.5 Ų29.516%0.16119%0.186CC..EExtended strand (participates in β ladder)trans-132.8150.3171.5174.50000109L15 K16 N21 L25L15-S23 CarbonylContact C-O 3.6Å; L15-S23 VanDerWaalsContact CA-O 3.3Å; L15-S23 WeakPolarHBondContact CA-O 3.26Å; K16-S23 PolarHBondContact N-O 3.25Å; K16-S23 PolarHBondContact O-N 3.42Å; K16-S23 VanDerWaalsContact O-O 3.07Å; N21-S23 PolarHBondContact O-N 2.77Å; S23-L25 PolarHBondContact O-N 3.2Å
24I91.8Very high94Very high12 Ų1229 Ų296%0.06218%0.182CC..EExtended strand (participates in β ladder)trans-55.1130.6171.1-173.3173.7000110.3A9 V10 I14A9-I24 HydrophobicContact CB-CD1 3.63Å; A9-I24 HydrophobicContact CB-CG1 4.23Å; V10-I24 HydrophobicContact CG2-CB 4.48Å; I14-I24 WeakPolarHBondContact O-CA 3.5Å
25L93.7Very high94.2Very high0 Ų029 Ų290%018%0.182CC..PPolyproline II helixtrans-75.7129.4167.517974.7000107.3I14 K16 S23 C27 F160 L163 I491 L498I14-L25 HydrophobicContact CG2-CB 4.09Å; I14-L25 PolarHBondContact O-N 2.88Å; K16-L25 HydrophobicContact CB-CB 4.38Å; K16-L25 HydrophobicContact CB-CD1 3.99Å; K16-L25 HydrophobicContact CD-CD1 4.06Å; K16-L25 HydrophobicContact CG-CD1 4.33Å; S23-L25 PolarHBondContact O-N 3.2Å; L25-C27 PolarHBondContact O-N 2.83Å; L25-F160 HydrophobicContact CD1-CE1 4.3Å; L25-F160 HydrophobicContact CD2-CD1 4.14Å; L25-F160 HydrophobicContact CD2-CE1 3.71Å; L25-L163 HydrophobicContact CD2-CD1 3.52Å; L25-I491 HydrophobicContact CD1-CG2 3.57Å; L25-I491 HydrophobicContact CD2-CG2 4.41Å; L25-I491 HydrophobicContact CG-CG2 4Å; L25-L498 HydrophobicContact CD2-CB 4.22Å; L25-L498 HydrophobicContact CD2-CD2 4.16Å
26P93.6Very high94.3Very high22 Ų2230.7 Ų30.714%0.14319%0.189CC..PPolyproline II helixtrans-54.2130.7178.6-27.135.4000111.7I437 L438 C497 L498P26-I437 HydrophobicContact CB-CG2 4.07Å; P26-L438 VanDerWaalsContact CA-O 3.24Å; P26-L438 WeakPolarHBondContact CA-O 3.14Å; P26-C497 HydrophobicContact CB-CB 3.9Å; P26-C497 CarbonylContact O-C 3.55Å; P26-C497 VanDerWaalsContact O-CA 3.27Å; P26-C497 WeakPolarHBondContact O-CA 3.37Å; P26-C497 WeakPolarHBondContact O-CB 3.36Å; P26-L498 PolarHBondContact O-N 3.32Å
27C95.7Very high94.5Very high0 Ų030 Ų300%019%0.188CC..EExtended strand (participates in β ladder)trans-136.2161174.870.20000110.9I14 L25 I167 I437 L438 L498I14-C27 HydrophobicContact CG2-CB 4.38Å; L25-C27 PolarHBondContact O-N 2.83Å; C27-I167 HydrophobicContact CB-CD1 3.75Å; C27-I437 CarbonylContact O-C 3.39Å; C27-I437 WeakPolarHBondContact O-CA 3.5Å; C27-L438 PolarHBondContact N-O 2.9Å; C27-L438 PolarHBondContact O-N 2.71Å; C27-L498 CarbonylContact C-O 3.58Å; C27-L498 WeakPolarHBondContact CA-O 3.5Å; C27-L498 HydrophobicContact CB-CB 4.05Å; C27-L498 VanDerWaalsContact CB-O 3.3Å; C27-L498 WeakPolarHBondContact CB-O 3.27Å
28T96.2Very high94.7Very high0 Ų029.4 Ų29.40%018%0.184CC..EExtended strand (participates in β ladder)trans-66.6154.9169.747.60000110.7L30 H171 S436 M452 L498 D499T28-L30 VanDerWaalsContact CB-O 3.3Å; T28-L30 WeakPolarHBondContact CB-O 3.42Å; T28-L30 PolarHBondContact OG1-O 2.83Å; T28-L30 VanDerWaalsContact OG1-O 3.1Å; T28-H171 PolarHBondContact O-NE2 2.79Å; T28-H171 PolarHBondContact OG1-CE1 2.88Å; T28-H171 PolarHBondContact OG1-NE2 3.05Å; T28-S436 CarbonylContact C-O 3.52Å; T28-S436 WeakPolarHBondContact CA-O 3.23Å; T28-M452 HydrophobicContact CG2-CE 4.41Å; T28-L498 PolarHBondContact N-O 3.36Å; T28-D499 HydrophobicContact CG2-CB 4.15Å; T28-D499 WeakPolarHBondContact CG2-OD2 3.29Å; T28-D499 PolarHBondContact OG1-OD1 2.89Å
29L95.5Very high95.1Very high6 Ų628.2 Ų28.23%0.03117%0.173CC..SBendtrans-71.9-47.4174.2171.663.8000110.2H2 A5 S174 S436 L438H2-L29 VanDerWaalsContact CE1-CD2 3.49Å; H2-L29 WeakPolarHBondContact CE1-CD2 3.23Å; H2-L29 WeakPolarHBondContact ND1-CD2 3.33Å; A5-L29 HydrophobicContact CB-CD1 4.04Å; L29-S174 WeakPolarHBondContact O-CB 2.87Å; L29-S174 PolarHBondContact O-OG 3.49Å; L29-S436 PolarHBondContact N-O 3.45Å; L29-L438 HydrophobicContact CB-CD2 4.49Å; L29-L438 HydrophobicContact CB-CG 4.18Å; L29-L438 HydrophobicContact CD1-CD1 3.94Å; L29-L438 HydrophobicContact CD1-CD2 4.03Å; L29-L438 HydrophobicContact CD1-CG 4.18Å
30L97.5Very high95.5Very high10 Ų1023.4 Ų23.45%0.05215%0.152CC..SBendtrans-113.3154.3178-63-180000110.2T28 T128 V129 L175 H178 I180 N435T28-L30 VanDerWaalsContact CB-O 3.3Å; T28-L30 WeakPolarHBondContact CB-O 3.42Å; T28-L30 PolarHBondContact OG1-O 2.83Å; T28-L30 VanDerWaalsContact OG1-O 3.1Å; L30-T128 HydrophobicContact CB-CG2 4.34Å; L30-V129 HydrophobicContact CD1-CG2 4.17Å; L30-L175 HydrophobicContact CD2-CD2 4.31Å; L30-H178 HydrophobicContact CD2-CB 4.02Å; L30-I180 HydrophobicContact CD1-CD1 4.46Å; L30-N435 PolarHBondContact N-OD1 2.98Å; L30-N435 PolarHBondContact O-ND2 2.82Å
31P98.2Very high95.8Very high0 Ų024.4 Ų24.40%013%0.134CC..PPolyproline II helixtrans-64.7147.7169.530.2-36.1000110.7T128 H171 L175 V188 S500 F502P31-T128 HydrophobicContact CG-CG2 4.11Å; P31-T128 WeakPolarHBondContact O-CB 3.4Å; P31-T128 WeakPolarHBondContact O-CG2 3.47Å; P31-T128 PolarHBondContact O-OG1 2.87Å; P31-H171 WeakPolarHBondContact CA-ND1 3.4Å; P31-H171 HydrophobicContact CB-CB 4.06Å; P31-H171 HydrophobicContact CG-CB 4.18Å; P31-L175 HydrophobicContact CG-CD1 4.05Å; P31-L175 HydrophobicContact CG-CD2 3.91Å; P31-L175 HydrophobicContact CG-CG 4.02Å; P31-V188 HydrophobicContact CB-CG2 3.98Å; P31-V188 HydrophobicContact CG-CG2 3.66Å; P31-S500 CarbonylContact C-O 3.55Å; P31-S500 WeakPolarHBondContact CA-O 3.07Å; P31-S500 WeakPolarHBondContact CB-O 3.43Å; P31-S500 WeakPolarHBondContact CB-OG 3.46Å; P31-F502 HydrophobicContact CB-CB 4Å; P31-F502 HydrophobicContact CG-CB 4.02Å; P31-F502 HydrophobicContact CG-CD2 3.9Å; P31-F502 HydrophobicContact CG-CG 4.4Å
32S98.4Very high96.2Very high0 Ų019.4 Ų19.40%011%0.107CC..EExtended strand (participates in β ladder)trans-97.1138.1-172-62.30000113.6L34 F433 N435 D499 S500 P501 F502S32-L34 PolarHBondContact O-N 2.73Å; S32-F433 WeakPolarHBondContact OG-CE2 3.5Å; S32-F433 WeakPolarHBondContact OG-CZ 3.37Å; S32-N435 PolarHBondContact OG-ND2 3.5Å; S32-D499 VanDerWaalsContact CB-OD2 3.22Å; S32-D499 WeakPolarHBondContact CB-OD2 3.41Å; S32-D499 PolarHBondContact N-OD1 2.69Å; S32-D499 PolarHBondContact OG-OD1 3.44Å; S32-D499 PolarHBondContact OG-OD2 3.4Å; S32-S500 PolarHBondContact N-O 2.99Å; S32-P501 CarbonylContact O-C 3.51Å; S32-F502 PolarHBondContact O-N 3.49Å
33P98.1Very high96.4Very high0 Ų017.7 Ų17.70%09%0.092CC..EExtended strand (participates in β ladder)trans-53.2128.9-179.5-27.235.4000113.1L125 S127 A131 Y431 F502 V504P33-L125 HydrophobicContact CB-CB 4.46Å; P33-L125 HydrophobicContact CB-CD2 3.79Å; P33-S127 VanDerWaalsContact CG-C 3.44Å; P33-A131 HydrophobicContact CB-CB 4.07Å; P33-A131 HydrophobicContact CG-CB 3.79Å; P33-Y431 PolarHBondContact O-OH 3.03Å; P33-F502 CarbonylContact C-O 3.48Å; P33-F502 VanDerWaalsContact CA-O 3.3Å; P33-F502 WeakPolarHBondContact CA-O 3.46Å; P33-V504 HydrophobicContact CB-CG1 3.99Å
34L98.2Very high96.6Very high0 Ų020.1 Ų20.10%011%0.109CC..EExtended strand (participates in β ladder)trans-148.8123.8178.5-171.8141.6000110.3S32 E36 L39 L107 L456 L479 P501 F502 L503 V504S32-L34 PolarHBondContact O-N 2.73Å; L34-E36 PolarHBondContact O-N 3.24Å; L34-L39 HydrophobicContact CD2-CB 3.54Å; L34-L39 HydrophobicContact CD2-CD1 4.37Å; L34-L39 HydrophobicContact CD2-CD2 4.48Å; L34-L39 HydrophobicContact CD2-CG 4.33Å; L34-L107 HydrophobicContact CG-CD1 4.38Å; L34-L456 HydrophobicContact CD1-CB 4.49Å; L34-L456 HydrophobicContact CD1-CD1 4.36Å; L34-L456 HydrophobicContact CD1-CD2 4.34Å; L34-L479 HydrophobicContact CD1-CD1 3.81Å; L34-P501 HydrophobicContact CB-CB 4.14Å; L34-P501 HydrophobicContact CD2-CB 4.49Å; L34-F502 PolarHBondContact N-O 2.89Å; L34-L503 WeakPolarHBondContact O-CA 3.1Å; L34-V504 PolarHBondContact O-N 3.3Å
35P97.7Very high96.9Very high0 Ų019.6 Ų19.60%011%0.106CC..  trans-57.2126.4-179.2-29.338.1000112.6V37 L38 L39 L107 L125 W143 L146 V504P35-V37 VanDerWaalsContact C-N 3.29Å; P35-V37 HydrophobicContact CB-CG2 4.41Å; P35-V37 PolarHBondContact O-N 3.01Å; P35-L38 HydrophobicContact CB-CB 4.23Å; P35-L38 HydrophobicContact CB-CD1 4.07Å; P35-L38 HydrophobicContact CB-CG 4.03Å; P35-L38 HydrophobicContact CG-CD1 4.07Å; P35-L38 PolarHBondContact O-N 2.87Å; P35-L38 VanDerWaalsContact O-N 3.14Å; P35-L39 PolarHBondContact O-N 3.2Å; P35-L39 VanDerWaalsContact O-N 3.12Å; P35-L107 HydrophobicContact CG-CD1 4.49Å; P35-L125 HydrophobicContact CG-CD2 4.3Å; P35-W143 HydrophobicContact CB-CD2 3.68Å; P35-W143 HydrophobicContact CB-CE3 4.15Å; P35-W143 HydrophobicContact CB-CG 4.02Å; P35-W143 HydrophobicContact CB-CH2 4.33Å; P35-W143 HydrophobicContact CB-CZ2 3.92Å; P35-W143 HydrophobicContact CB-CZ3 4.46Å; P35-W143 HydrophobicContact CG-CD2 3.6Å; P35-W143 HydrophobicContact CG-CE3 3.51Å; P35-W143 HydrophobicContact CG-CG 4.31Å; P35-W143 HydrophobicContact CG-CH2 3.76Å; P35-W143 HydrophobicContact CG-CZ2 3.87Å; P35-W143 HydrophobicContact CG-CZ3 3.61Å; P35-L146 HydrophobicContact CG-CD2 4.02Å; P35-V504 HydrophobicContact CG-CG2 4.18Å
36E97.5Very high97.2Very high63 Ų6319.6 Ų19.629%0.29411%0.106SC..Hα-helixtrans-58.4-43.2-177-176.9177.1-120.200111.8L34 L38 L39 C40 I136 L503 V504L34-E36 PolarHBondContact O-N 3.24Å; E36-L38 VanDerWaalsContact C-N 3.26Å; E36-L38 PolarHBondContact O-N 2.87Å; E36-L39 WeakPolarHBondContact O-CB 3.25Å; E36-L39 PolarHBondContact O-N 3.25Å; E36-L39 VanDerWaalsContact O-N 3.14Å; E36-C40 WeakPolarHBondContact O-CB 3.46Å; E36-C40 PolarHBondContact O-N 2.8Å; E36-C40 PolarHBondContact O-SG 3.16Å; E36-C40 VanDerWaalsContact O-SG 3.38Å; E36-I136 HydrophobicContact CB-CG2 4.04Å; E36-L503 HydrophobicContact CB-CB 4.38Å; E36-L503 HydrophobicContact CB-CD2 4.27Å; E36-L503 HydrophobicContact CG-CD1 4.32Å; E36-L503 HydrophobicContact CG-CD2 4.42Å; E36-V504 PolarHBondContact N-O 3.04Å
37V96.9Very high97.4Very high25 Ų2520.3 Ų20.315%0.15211%0.112CC..Hα-helixtrans-59.4-36.3179.7-59.90000112.5P35 R41 W143P35-V37 VanDerWaalsContact C-N 3.29Å; P35-V37 HydrophobicContact CB-CG2 4.41Å; P35-V37 PolarHBondContact O-N 3.01Å; V37-R41 VanDerWaalsContact O-CB 3.3Å; V37-R41 WeakPolarHBondContact O-CB 3.31Å; V37-R41 PolarHBondContact O-N 2.93Å; V37-W143 VanDerWaalsContact CG2-CD1 3.44Å; V37-W143 HydrophobicContact CG2-CG 4.18Å
38L97.1Very high97.5Very high11 Ų1121.6 Ų21.66%0.05812%0.118CC..Hα-helixtrans-77.1-33.4178.8-62.8-177.4000112P35 E36 A42 L107 L146 I148P35-L38 HydrophobicContact CB-CB 4.23Å; P35-L38 HydrophobicContact CB-CD1 4.07Å; P35-L38 HydrophobicContact CB-CG 4.03Å; P35-L38 HydrophobicContact CG-CD1 4.07Å; P35-L38 PolarHBondContact O-N 2.87Å; P35-L38 VanDerWaalsContact O-N 3.14Å; E36-L38 VanDerWaalsContact C-N 3.26Å; E36-L38 PolarHBondContact O-N 2.87Å; L38-A42 WeakPolarHBondContact O-CB 3.28Å; L38-A42 PolarHBondContact O-N 3.3Å; L38-L107 HydrophobicContact CB-CD2 4.25Å; L38-L107 HydrophobicContact CD1-CD1 4.06Å; L38-L107 HydrophobicContact CD1-CD2 3.94Å; L38-L146 HydrophobicContact CD1-CB 4.29Å; L38-L146 HydrophobicContact CD1-CD2 3.8Å; L38-L146 HydrophobicContact CD1-CG 3.81Å; L38-I148 HydrophobicContact CB-CG2 4.16Å
39L97.8Very high97.6Very high4 Ų421.6 Ų21.62%0.02112%0.118CC..Hα-helixtrans-61.8-53.4169.7-177.357000110.5L34 P35 E36 R41 A42 Q43 P189 L456 I458 P501 L503L34-L39 HydrophobicContact CD2-CB 3.54Å; L34-L39 HydrophobicContact CD2-CD1 4.37Å; L34-L39 HydrophobicContact CD2-CD2 4.48Å; L34-L39 HydrophobicContact CD2-CG 4.33Å; P35-L39 PolarHBondContact O-N 3.2Å; P35-L39 VanDerWaalsContact O-N 3.12Å; E36-L39 WeakPolarHBondContact O-CB 3.25Å; E36-L39 PolarHBondContact O-N 3.25Å; E36-L39 VanDerWaalsContact O-N 3.14Å; L39-R41 VanDerWaalsContact C-N 3.25Å; L39-R41 PolarHBondContact O-N 3.31Å; L39-A42 PolarHBondContact O-N 3.3Å; L39-A42 VanDerWaalsContact O-N 3.07Å; L39-Q43 HydrophobicContact CD1-CG 4.25Å; L39-Q43 HydrophobicContact CG-CG 4.35Å; L39-Q43 VanDerWaalsContact O-CG 3.25Å; L39-Q43 WeakPolarHBondContact O-CG 3.45Å; L39-Q43 PolarHBondContact O-N 3.33Å; L39-P189 HydrophobicContact CD2-CG 4.1Å; L39-L456 HydrophobicContact CD1-CD1 3.78Å; L39-L456 HydrophobicContact CD1-CD2 3.94Å; L39-L456 HydrophobicContact CD1-CG 4.48Å; L39-I458 HydrophobicContact CD1-CD1 4.03Å; L39-P501 HydrophobicContact CD2-CG 4.43Å; L39-L503 HydrophobicContact CD2-CD2 3.66Å
40C96.8Very high97.8Very high61 Ų6121.3 Ų21.341%0.41212%0.117SC..Hα-helixtrans-57.9-40.1-180-71.50000111.3E36 Q43 S44E36-C40 WeakPolarHBondContact O-CB 3.46Å; E36-C40 PolarHBondContact O-N 2.8Å; E36-C40 PolarHBondContact O-SG 3.16Å; E36-C40 VanDerWaalsContact O-SG 3.38Å; C40-Q43 PolarHBondContact O-N 2.95Å; C40-S44 WeakPolarHBondContact O-CB 3.27Å; C40-S44 PolarHBondContact O-N 3.26Å; C40-S44 PolarHBondContact O-OG 3.34Å
41R96.4Very high97.8Very high90 Ų9022.3 Ų22.334%0.3412%0.122SC..Hα-helixtrans-62.9-46.2173.3-173.8176177167.8-1.2112.2V37 L39 Q43 S44 I45 I148 S354V37-R41 VanDerWaalsContact O-CB 3.3Å; V37-R41 WeakPolarHBondContact O-CB 3.31Å; V37-R41 PolarHBondContact O-N 2.93Å; L39-R41 VanDerWaalsContact C-N 3.25Å; L39-R41 PolarHBondContact O-N 3.31Å; R41-Q43 VanDerWaalsContact C-N 3.3Å; R41-Q43 PolarHBondContact O-N 3.38Å; R41-S44 PolarHBondContact O-N 3.39Å; R41-S44 PolarHBondContact O-OG 3.48Å; R41-I45 HydrophobicContact CG-CD1 3.95Å; R41-I45 WeakPolarHBondContact O-CD1 3.43Å; R41-I45 WeakPolarHBondContact O-CG1 3.34Å; R41-I45 PolarHBondContact O-N 3.09Å; R41-I148 HydrophobicContact CB-CD1 4.39Å; R41-I148 HydrophobicContact CG-CD1 3.88Å; R41-S354 PolarHBondContact NH2-OG 3.15Å
42A98.1Very high97.8Very high0 Ų022.3 Ų22.30%012%0.122CC..Hα-helixtrans-63.6-37.7177.500000111.9L38 L39 Y105 I148 L456 I458L38-A42 WeakPolarHBondContact O-CB 3.28Å; L38-A42 PolarHBondContact O-N 3.3Å; L39-A42 PolarHBondContact O-N 3.3Å; L39-A42 VanDerWaalsContact O-N 3.07Å; A42-Y105 HydrophobicContact CB-CD2 4.12Å; A42-Y105 HydrophobicContact CB-CE2 4.1Å; A42-I148 HydrophobicContact CB-CD1 4.1Å; A42-L456 HydrophobicContact CB-CD2 3.88Å; A42-I458 HydrophobicContact CB-CD1 4.14Å; A42-I458 HydrophobicContact CB-CG1 3.79Å
43Q98Very high97.8Very high44 Ų4422.3 Ų22.321%0.20612%0.122CC..Hα-helixtrans-64.4-44.6176.4-68.9175.8-9.300112.5L39 C40 R41 I45 Q46 I458 F474L39-Q43 HydrophobicContact CD1-CG 4.25Å; L39-Q43 HydrophobicContact CG-CG 4.35Å; L39-Q43 VanDerWaalsContact O-CG 3.25Å; L39-Q43 WeakPolarHBondContact O-CG 3.45Å; L39-Q43 PolarHBondContact O-N 3.33Å; C40-Q43 PolarHBondContact O-N 2.95Å; R41-Q43 VanDerWaalsContact C-N 3.3Å; R41-Q43 PolarHBondContact O-N 3.38Å; Q43-I45 VanDerWaalsContact C-N 3.28Å; Q43-I45 PolarHBondContact O-N 2.94Å; Q43-Q46 WeakPolarHBondContact O-CB 3.01Å; Q43-Q46 PolarHBondContact O-N 2.96Å; Q43-I458 HydrophobicContact CG-CD1 4.06Å; Q43-F474 HydrophobicContact CB-CD2 4.18Å; Q43-F474 HydrophobicContact CB-CE2 4.17Å; Q43-F474 HydrophobicContact CG-CD2 4.08Å; Q43-F474 HydrophobicContact CG-CE2 3.57Å; Q43-F474 HydrophobicContact CG-CZ 3.8Å
44S96.4Very high97.9Very high75 Ų7522.5 Ų22.552%0.52412%0.123SC..Hα-helixtrans-66.9-29.7-177.368.90000113C40 R41 Q46C40-S44 WeakPolarHBondContact O-CB 3.27Å; C40-S44 PolarHBondContact O-N 3.26Å; C40-S44 PolarHBondContact O-OG 3.34Å; R41-S44 PolarHBondContact O-N 3.39Å; R41-S44 PolarHBondContact O-OG 3.48Å; S44-Q46 VanDerWaalsContact C-N 3.35Å
45I97.7Very high97.9Very high0 Ų027 Ų270%014%0.14CC..Hα-helixtrans-79.5-17.7-180-57.3170.6000111.9R41 Q43 C47 D48 F49 I148 N351 I352 T355R41-I45 HydrophobicContact CG-CD1 3.95Å; R41-I45 WeakPolarHBondContact O-CD1 3.43Å; R41-I45 WeakPolarHBondContact O-CG1 3.34Å; R41-I45 PolarHBondContact O-N 3.09Å; Q43-I45 VanDerWaalsContact C-N 3.28Å; Q43-I45 PolarHBondContact O-N 2.94Å; I45-C47 VanDerWaalsContact C-N 3.32Å; I45-C47 PolarHBondContact O-N 3.43Å; I45-D48 WeakPolarHBondContact O-CB 3.33Å; I45-D48 PolarHBondContact O-N 3.17Å; I45-F49 HydrophobicContact CG2-CD2 3.59Å; I45-F49 HydrophobicContact CG2-CE2 3.57Å; I45-F49 PolarHBondContact O-N 3.21Å; I45-I148 HydrophobicContact CD1-CD1 3.92Å; I45-N351 HydrophobicContact CD1-CB 4.13Å; I45-N351 HydrophobicContact CG1-CB 4Å; I45-I352 HydrophobicContact CG2-CG1 4.21Å; I45-T355 HydrophobicContact CD1-CG2 3.87Å
46Q98.5Very high97.9Very high0 Ų027 Ų270%014%0.14CC..Hα-helixtrans-58.3-40.9-174.4-176.859.935.400113.4Q43 S44 D48 F49 N50 I458Q43-Q46 WeakPolarHBondContact O-CB 3.01Å; Q43-Q46 PolarHBondContact O-N 2.96Å; S44-Q46 VanDerWaalsContact C-N 3.35Å; Q46-D48 VanDerWaalsContact C-N 3.28Å; Q46-D48 PolarHBondContact O-N 3.4Å; Q46-F49 PolarHBondContact O-N 2.89Å; Q46-N50 PolarHBondContact NE2-OD1 2.71Å; Q46-N50 VanDerWaalsContact O-CG 3.31Å; Q46-N50 PolarHBondContact O-N 2.95Å; Q46-I458 HydrophobicContact CB-CG2 3.63Å; Q46-I458 HydrophobicContact CG-CG2 3.77Å; Q46-I458 PolarHBondContact OE1-O 3.26Å; Q46-I458 VanDerWaalsContact OE1-O 3.12Å
47C98.3Very high97.9Very high38 Ų3824 Ų2426%0.25713%0.126SC..Hα-helixtrans-66.1-32.5178-65.80000112.2I45 L51 N472I45-C47 VanDerWaalsContact C-N 3.32Å; I45-C47 PolarHBondContact O-N 3.43Å; C47-L51 WeakPolarHBondContact O-CB 3.36Å; C47-L51 PolarHBondContact O-N 3.4Å; C47-L51 VanDerWaalsContact O-N 3.15Å; C47-N472 PolarHBondContact O-ND2 3.38Å; C47-N472 PolarHBondContact O-OD1 3.14Å
48D98.4Very high97.9Very high26 Ų2625 Ų2514%0.13913%0.13CC..Hα-helixtrans-67.8-42.7174.7-66.5-37.9000110.5I45 Q46 L51 L52 S348 I352I45-D48 WeakPolarHBondContact O-CB 3.33Å; I45-D48 PolarHBondContact O-N 3.17Å; Q46-D48 VanDerWaalsContact C-N 3.28Å; Q46-D48 PolarHBondContact O-N 3.4Å; D48-L51 PolarHBondContact O-N 3.17Å; D48-L52 WeakPolarHBondContact O-CB 3.42Å; D48-L52 PolarHBondContact O-N 3.15Å; D48-S348 VanDerWaalsContact CG-CB 3.49Å; D48-S348 VanDerWaalsContact CG-OG 3.26Å; D48-S348 VanDerWaalsContact OD1-CB 3.3Å; D48-S348 WeakPolarHBondContact OD1-CB 3.3Å; D48-S348 PolarHBondContact OD1-OG 2.74Å; D48-I352 HydrophobicContact CB-CD1 3.75Å; D48-I352 HydrophobicContact CB-CG1 4.02Å
49F98.7Very high97.9Very high0 Ų025.9 Ų25.90%014%0.135CC..Hα-helixtrans-66-43176-89.4-65000113I45 Q46 L51 L52 Y53 Y105 Q150 F153 I352 T355 F356I45-F49 HydrophobicContact CG2-CD2 3.59Å; I45-F49 HydrophobicContact CG2-CE2 3.57Å; I45-F49 PolarHBondContact O-N 3.21Å; Q46-F49 PolarHBondContact O-N 2.89Å; F49-L51 PolarHBondContact O-N 3.33Å; F49-L52 HydrophobicContact CD1-CD2 4.12Å; F49-L52 HydrophobicContact CE1-CD2 4.26Å; F49-L52 WeakPolarHBondContact O-CB 3.37Å; F49-L52 PolarHBondContact O-N 3.24Å; F49-Y53 HydrophobicContact CD1-CD2 4.42Å; F49-Y53 AromaticContact CD1-CE2 3.97Å; F49-Y53 HydrophobicContact CD1-CE2 3.97Å; F49-Y53 WeakPolarHBondContact O-CD2 3.42Å; F49-Y53 PolarHBondContact O-N 3.14Å; F49-Y105 VanDerWaalsContact CD2-OH 3.3Å; F49-Y105 WeakPolarHBondContact CD2-OH 3.43Å; F49-Y105 HydrophobicContact CE2-CE1 4.43Å; F49-Y105 WeakPolarHBondContact CE2-OH 3.4Å; F49-Q150 VanDerWaalsContact CE1-NE2 3.29Å; F49-F153 HydrophobicContact CB-CD2 4.09Å; F49-F153 HydrophobicContact CB-CE2 3.51Å; F49-F153 HydrophobicContact CB-CZ 4.15Å; F49-F153 HydrophobicContact CD1-CD2 4.32Å; F49-F153 HydrophobicContact CG-CD2 4.26Å; F49-F153 HydrophobicContact CG-CE2 4.16Å; F49-I352 HydrophobicContact CE1-CG1 4.41Å; F49-I352 HydrophobicContact CE1-CG2 3.86Å; F49-I352 HydrophobicContact CE2-CG1 4.33Å; F49-I352 HydrophobicContact CZ-CB 4.39Å; F49-I352 HydrophobicContact CZ-CG1 4.28Å; F49-I352 HydrophobicContact CZ-CG2 3.88Å; F49-T355 WeakPolarHBondContact CZ-OG1 3.48Å; F49-F356 AromaticContact CE1-CE1 3.84Å; F49-F356 HydrophobicContact CE1-CE1 3.84Å; F49-F356 AromaticContact CE1-CZ 3.88Å; F49-F356 HydrophobicContact CE1-CZ 3.88Å; F49-F356 HydrophobicContact CZ-CE1 4.02Å; F49-F356 HydrophobicContact CZ-CZ 4.24Å
50N98.6Very high97.9Very high0 Ų028.6 Ų28.60%015%0.147CC..Hα-helixtrans-53.8-46.9173.8-73.7-17000110.7Q46 H54 N101 A461 I462 N472 E473Q46-N50 PolarHBondContact NE2-OD1 2.71Å; Q46-N50 VanDerWaalsContact O-CG 3.31Å; Q46-N50 PolarHBondContact O-N 2.95Å; N50-H54 WeakPolarHBondContact O-CB 3.5Å; N50-H54 PolarHBondContact O-N 3.44Å; N50-N101 PolarHBondContact OD1-ND2 3.18Å; N50-A461 PolarHBondContact ND2-O 3.33Å; N50-I462 HydrophobicContact CB-CB 4.19Å; N50-I462 HydrophobicContact CB-CD1 4.21Å; N50-I462 HydrophobicContact CB-CG2 4.44Å; N50-N472 WeakPolarHBondContact CB-OD1 3.33Å; N50-N472 PolarHBondContact ND2-OD1 3.16Å; N50-E473 PolarHBondContact ND2-O 3.39Å
51L98.3Very high97.9Very high31 Ų3131.9 Ų31.916%0.16216%0.156CC..Hα-helixtrans-68.3-38.7179.2-175.158.2000112.5C47 D48 F49 H54 R55 F342 I469C47-L51 WeakPolarHBondContact O-CB 3.36Å; C47-L51 PolarHBondContact O-N 3.4Å; C47-L51 VanDerWaalsContact O-N 3.15Å; D48-L51 PolarHBondContact O-N 3.17Å; F49-L51 PolarHBondContact O-N 3.33Å; L51-H54 PolarHBondContact O-N 2.83Å; L51-R55 HydrophobicContact CD1-CG 4.38Å; L51-R55 WeakPolarHBondContact O-CB 3.2Å; L51-R55 WeakPolarHBondContact O-CG 3.46Å; L51-R55 PolarHBondContact O-N 2.88Å; L51-F342 HydrophobicContact CB-CZ 4.36Å; L51-F342 HydrophobicContact CD2-CE1 4.26Å; L51-F342 HydrophobicContact CD2-CZ 4.26Å; L51-F342 HydrophobicContact CG-CZ 4.24Å; L51-I469 HydrophobicContact CD1-CD1 4.11Å; L51-I469 HydrophobicContact CD1-CG1 4.28Å
52L98.6Very high98Very high0 Ų027.9 Ų27.90%014%0.142CC..Hα-helixtrans-55.3-57.4174.517858.3000110.9D48 F49 H54 R55 V56 L332 L338 F341 F342 I352D48-L52 WeakPolarHBondContact O-CB 3.42Å; D48-L52 PolarHBondContact O-N 3.15Å; F49-L52 HydrophobicContact CD1-CD2 4.12Å; F49-L52 HydrophobicContact CE1-CD2 4.26Å; F49-L52 WeakPolarHBondContact O-CB 3.37Å; F49-L52 PolarHBondContact O-N 3.24Å; L52-H54 VanDerWaalsContact C-N 3.31Å; L52-H54 PolarHBondContact O-N 2.97Å; L52-R55 PolarHBondContact O-N 2.78Å; L52-V56 HydrophobicContact CD1-CG2 4.19Å; L52-V56 HydrophobicContact CG-CG2 4.47Å; L52-V56 VanDerWaalsContact O-CG2 3.24Å; L52-V56 WeakPolarHBondContact O-CG2 3.47Å; L52-V56 PolarHBondContact O-N 2.97Å; L52-L332 HydrophobicContact CD1-CD2 4.09Å; L52-L332 HydrophobicContact CD2-CD1 4.09Å; L52-L332 HydrophobicContact CG-CD1 4.25Å; L52-L338 HydrophobicContact CD1-CD1 3.8Å; L52-L338 HydrophobicContact CD2-CD1 3.96Å; L52-F341 HydrophobicContact CD1-CB 3.71Å; L52-F341 HydrophobicContact CD1-CD2 3.89Å; L52-F341 HydrophobicContact CD1-CG 3.96Å; L52-F342 HydrophobicContact CB-CE2 3.78Å; L52-F342 HydrophobicContact CB-CZ 4.46Å; L52-F342 HydrophobicContact CD1-CD2 4.11Å; L52-F342 HydrophobicContact CD1-CE2 3.82Å; L52-F342 HydrophobicContact CG-CE2 4.35Å; L52-I352 HydrophobicContact CB-CD1 4.35Å; L52-I352 HydrophobicContact CD2-CD1 4.26Å; L52-I352 HydrophobicContact CD2-CG2 4.13Å
53Y98.5Very high98Very high0 Ų027.9 Ų27.90%014%0.142CC..Hα-helixtrans-68.9-31-176.3-79.4-79000112.5F49 A57 F153 M155 A323 Q329 L332F49-Y53 HydrophobicContact CD1-CD2 4.42Å; F49-Y53 AromaticContact CD1-CE2 3.97Å; F49-Y53 HydrophobicContact CD1-CE2 3.97Å; F49-Y53 WeakPolarHBondContact O-CD2 3.42Å; F49-Y53 PolarHBondContact O-N 3.14Å; Y53-A57 VanDerWaalsContact O-CB 3.26Å; Y53-A57 WeakPolarHBondContact O-CB 3.43Å; Y53-A57 PolarHBondContact O-N 3.4Å; Y53-F153 HydrophobicContact CD1-CD1 4.37Å; Y53-F153 HydrophobicContact CD2-CB 4.34Å; Y53-F153 AromaticContact CD2-CD1 3.28Å; Y53-F153 HydrophobicContact CD2-CD1 3.28Å; Y53-F153 HydrophobicContact CD2-CD2 4.18Å; Y53-F153 AromaticContact CD2-CE1 3.39Å; Y53-F153 HydrophobicContact CD2-CE1 3.39Å; Y53-F153 HydrophobicContact CD2-CE2 4.29Å; Y53-F153 AromaticContact CD2-CG 3.7Å; Y53-F153 HydrophobicContact CD2-CG 3.7Å; Y53-F153 AromaticContact CD2-CZ 3.91Å; Y53-F153 HydrophobicContact CD2-CZ 3.91Å; Y53-F153 HydrophobicContact CE1-CD1 4.38Å; Y53-F153 HydrophobicContact CE2-CB 3.46Å; Y53-F153 VanDerWaalsContact CE2-CB 3.46Å; Y53-F153 AromaticContact CE2-CD1 3.31Å; Y53-F153 HydrophobicContact CE2-CD1 3.31Å; Y53-F153 AromaticContact CE2-CD2 3.86Å; Y53-F153 HydrophobicContact CE2-CD2 3.86Å; Y53-F153 AromaticContact CE2-CE1 3.91Å; Y53-F153 HydrophobicContact CE2-CE1 3.91Å; Y53-F153 HydrophobicContact CE2-CE2 4.41Å; Y53-F153 AromaticContact CE2-CG 3.27Å; Y53-F153 HydrophobicContact CE2-CG 3.27Å; Y53-F153 HydrophobicContact CE2-CZ 4.42Å; Y53-F153 AromaticContact CG-CD1 3.85Å; Y53-F153 HydrophobicContact CG-CD1 3.85Å; Y53-F153 AromaticContact CG-CE1 3.89Å; Y53-F153 HydrophobicContact CG-CE1 3.89Å; Y53-F153 AromaticContact CZ-CD1 3.89Å; Y53-F153 AromaticContact CZ-CG 3.9Å; Y53-F153 WeakPolarHBondContact OH-CB 3.47Å; Y53-M155 HydrophobicContact CD1-SD 3.87Å; Y53-M155 HydrophobicContact CG-SD 3.92Å; Y53-A323 HydrophobicContact CD1-CB 4.42Å; Y53-A323 WeakPolarHBondContact CD1-O 3.28Å; Y53-A323 WeakPolarHBondContact CE1-O 3.28Å; Y53-Q329 WeakPolarHBondContact OH-CG 3.44Å; Y53-L332 HydrophobicContact CE1-CD1 3.98Å
54H98.6Very high97.9Very high5 Ų526.6 Ų26.62%0.02314%0.14CC..Hα-helixtrans-61.1-50.2169.5177.372.2000111.4N50 L51 L52 V56 A57 M58 Y320 I462 A464 C465N50-H54 WeakPolarHBondContact O-CB 3.5Å; N50-H54 PolarHBondContact O-N 3.44Å; L51-H54 PolarHBondContact O-N 2.83Å; L52-H54 VanDerWaalsContact C-N 3.31Å; L52-H54 PolarHBondContact O-N 2.97Å; H54-V56 VanDerWaalsContact C-N 3.34Å; H54-V56 PolarHBondContact O-N 3.43Å; H54-A57 PolarHBondContact O-N 3.2Å; H54-M58 VanDerWaalsContact O-CG 3.31Å; H54-M58 WeakPolarHBondContact O-CG 3.25Å; H54-M58 PolarHBondContact O-N 3.01Å; H54-Y320 AromaticContact ND1-CE1 3.89Å; H54-Y320 AromaticContact ND1-CZ 3.77Å; H54-Y320 PolarHBondContact ND1-OH 3.49Å; H54-I462 HydrophobicContact CB-CD1 3.69Å; H54-A464 VanDerWaalsContact CE1-CB 3.41Å; H54-A464 WeakPolarHBondContact CE1-CB 3.4Å; H54-C465 PolarHBondContact CE1-O 3.33Å; H54-C465 VanDerWaalsContact CE1-O 3.3Å; H54-C465 PolarHBondContact NE2-O 3.36Å; H54-C465 VanDerWaalsContact NE2-O 3.13Å
55R98.3Very high97.9Very high94 Ų9428.7 Ų28.736%0.35515%0.145SC..Hα-helixtrans-60-43177.7-73.3175.2176.3161.65.8112.2L51 L52 M58 D59 F341L51-R55 HydrophobicContact CD1-CG 4.38Å; L51-R55 WeakPolarHBondContact O-CB 3.2Å; L51-R55 WeakPolarHBondContact O-CG 3.46Å; L51-R55 PolarHBondContact O-N 2.88Å; L52-R55 PolarHBondContact O-N 2.78Å; R55-M58 PolarHBondContact O-N 3.39Å; R55-D59 WeakPolarHBondContact O-CB 3.4Å; R55-D59 PolarHBondContact O-N 3.16Å; R55-D59 VanDerWaalsContact O-N 3.14Å; R55-F341 HydrophobicContact CB-CD1 3.81Å; R55-F341 HydrophobicContact CB-CE1 4.47Å; R55-F341 PolarHBondContact NH1-O 2.85Å
56V98.5Very high97.9Very high0 Ų028.9 Ų28.90%015%0.146CC..Hα-helixtrans-59.6-46.8175.4171.40000110.9L52 H54 M58 D59 F62 L63 A323 V328 L332 F341L52-V56 HydrophobicContact CD1-CG2 4.19Å; L52-V56 HydrophobicContact CG-CG2 4.47Å; L52-V56 VanDerWaalsContact O-CG2 3.24Å; L52-V56 WeakPolarHBondContact O-CG2 3.47Å; L52-V56 PolarHBondContact O-N 2.97Å; H54-V56 VanDerWaalsContact C-N 3.34Å; H54-V56 PolarHBondContact O-N 3.43Å; V56-M58 PolarHBondContact O-N 3.49Å; V56-D59 PolarHBondContact O-N 2.86Å; V56-D59 VanDerWaalsContact O-N 3.1Å; V56-F62 HydrophobicContact CG1-CD1 3.89Å; V56-F62 HydrophobicContact CG1-CE1 3.64Å; V56-F62 HydrophobicContact CG2-CE1 4.37Å; V56-L63 HydrophobicContact CG1-CD2 3.92Å; V56-A323 HydrophobicContact CB-CB 4.31Å; V56-A323 HydrophobicContact CG1-CB 3.69Å; V56-V328 HydrophobicContact CG1-CG1 3.83Å; V56-L332 HydrophobicContact CG2-CD1 4.01Å; V56-L332 HydrophobicContact CG2-CD2 3.91Å; V56-F341 HydrophobicContact CB-CE1 4.49Å; V56-F341 HydrophobicContact CB-CZ 4.27Å; V56-F341 HydrophobicContact CG2-CD1 4.28Å; V56-F341 HydrophobicContact CG2-CD2 3.92Å; V56-F341 HydrophobicContact CG2-CE1 3.93Å; V56-F341 HydrophobicContact CG2-CE2 3.54Å; V56-F341 HydrophobicContact CG2-CG 4.26Å; V56-F341 HydrophobicContact CG2-CZ 3.54Å
57A98Very high97.8Very high1 Ų128.9 Ų28.91%0.00815%0.146CC..Hα-helixtrans-63.8-27.9178.800000113.5Y53 H54 Q319 Y320 A323Y53-A57 VanDerWaalsContact O-CB 3.26Å; Y53-A57 WeakPolarHBondContact O-CB 3.43Å; Y53-A57 PolarHBondContact O-N 3.4Å; H54-A57 PolarHBondContact O-N 3.2Å; A57-Q319 HydrophobicContact CB-CB 3.95Å; A57-Q319 WeakPolarHBondContact O-CB 3.33Å; A57-Y320 HydrophobicContact CB-CD1 3.34Å; A57-Y320 HydrophobicContact CB-CE1 3.64Å; A57-Y320 HydrophobicContact CB-CG 4.46Å; A57-A323 HydrophobicContact CB-CB 3.95Å
58M97Very high97.7Very high45 Ų4534.4 Ų34.422%0.22217%0.166CC..Hα-helixtrans-86.5-8.1176.7-61.7-55.5124.600113.5H54 R55 V56 V97 Y320 K466H54-M58 VanDerWaalsContact O-CG 3.31Å; H54-M58 WeakPolarHBondContact O-CG 3.25Å; H54-M58 PolarHBondContact O-N 3.01Å; R55-M58 PolarHBondContact O-N 3.39Å; V56-M58 PolarHBondContact O-N 3.49Å; M58-V97 HydrophobicContact CE-CG2 4.12Å; M58-Y320 HydrophobicContact CE-CE1 3.94Å; M58-K466 HydrophobicContact CB-CG 4.27Å; M58-K466 HydrophobicContact CG-CB 4.41Å; M58-K466 HydrophobicContact CG-CG 4.38Å; M58-K466 HydrophobicContact SD-CB 4.13Å
59D97.3Very high97.6Very high30 Ų3034.2 Ų34.216%0.1617%0.166CC..  trans-99.191-178.7-166-32000111.5R55 V56 E61 F62 L63 R340 F341R55-D59 WeakPolarHBondContact O-CB 3.4Å; R55-D59 PolarHBondContact O-N 3.16Å; R55-D59 VanDerWaalsContact O-N 3.14Å; V56-D59 PolarHBondContact O-N 2.86Å; V56-D59 VanDerWaalsContact O-N 3.1Å; D59-E61 PolarHBondContact O-N 2.84Å; D59-E61 PolarHBondContact OD1-N 3.4Å; D59-F62 HydrophobicContact CB-CB 3.98Å; D59-F62 VanDerWaalsContact CG-CB 3.48Å; D59-F62 PolarHBondContact O-N 2.83Å; D59-F62 WeakPolarHBondContact OD1-CB 3.24Å; D59-F62 PolarHBondContact OD1-N 2.86Å; D59-L63 WeakPolarHBondContact O-CG 3.45Å; D59-L63 PolarHBondContact O-N 2.77Å; D59-L63 VanDerWaalsContact O-N 3.07Å; D59-R340 VanDerWaalsContact CG-NH2 3.29Å; D59-R340 IonicContact OD1-CZ 3.72Å; D59-R340 IonicContact OD1-NE 3.32Å; D59-R340 IonicContact OD1-NH2 3.75Å; D59-R340 PolarHBondContact OD1-NH2 2.87Å; D59-R340 IonicContact OD2-CZ 3.61Å; D59-R340 IonicContact OD2-NE 2.88Å; D59-R340 PolarHBondContact OD2-NE 2.75Å; D59-R340 IonicContact OD2-NH2 3.75Å; D59-R340 PolarHBondContact OD2-NH2 2.91Å; D59-F341 HydrophobicContact CB-CE1 4.01Å
60H96.1Very high97.4Very high61 Ų6134.2 Ų34.228%0.28217%0.166SC..Hα-helixtrans-62.1-41.5-177.6172.359000113.6L63 G64 W81 Y84 R88H60-L63 PolarHBondContact O-N 3.28Å; H60-G64 PolarHBondContact O-N 3Å; H60-W81 AromaticContact CE1-CH2 3.74Å; H60-W81 AromaticContact CE1-CZ2 3.84Å; H60-W81 AromaticContact ND1-CH2 3.91Å; H60-Y84 AromaticContact ND1-CE1 3.64Å; H60-Y84 AromaticContact ND1-CZ 3.95Å; H60-R88 PolarHBondContact CD2-NH1 2.97Å; H60-R88 PolarHBondContact CE1-NH1 3.02Å; H60-R88 VanDerWaalsContact CG-CZ 3.5Å; H60-R88 PolarHBondContact ND1-NH1 3.07Å; H60-R88 PolarHBondContact NE2-NH1 3.44Å
61E97.6Very high97.2Very high130 Ų13035.2 Ų35.261%0.60717%0.171SC*.Hα-helixtrans-63.4-47.9-178.2-67.3-179.4167.300109.8D59 L63 G64 D65 R340D59-E61 PolarHBondContact O-N 2.84Å; D59-E61 PolarHBondContact OD1-N 3.4Å; E61-L63 PolarHBondContact O-N 3.03Å; E61-G64 PolarHBondContact O-N 3.23Å; E61-D65 WeakPolarHBondContact O-CB 3.48Å; E61-D65 VanDerWaalsContact O-CG 3.31Å; E61-D65 PolarHBondContact O-N 3.36Å; E61-R340 IonicContact OE2-NH2 2.76Å
62F98.1Very high96.9Very high6 Ų637.1 Ų37.13%0.02619%0.187CC..Hα-helixtrans-58.8-48.8176.9175.1-91.6000112.4V56 D59 G64 D65 V66 V328 A331 L332 Y337 F341V56-F62 HydrophobicContact CG1-CD1 3.89Å; V56-F62 HydrophobicContact CG1-CE1 3.64Å; V56-F62 HydrophobicContact CG2-CE1 4.37Å; D59-F62 HydrophobicContact CB-CB 3.98Å; D59-F62 VanDerWaalsContact CG-CB 3.48Å; D59-F62 PolarHBondContact O-N 2.83Å; D59-F62 WeakPolarHBondContact OD1-CB 3.24Å; D59-F62 PolarHBondContact OD1-N 2.86Å; F62-G64 VanDerWaalsContact C-N 3.3Å; F62-G64 PolarHBondContact O-N 2.9Å; F62-D65 PolarHBondContact O-N 3.23Å; F62-V66 HydrophobicContact CD1-CG2 4.44Å; F62-V66 HydrophobicContact CD2-CG2 4.17Å; F62-V66 HydrophobicContact CE1-CG2 4.1Å; F62-V66 HydrophobicContact CE2-CG2 3.86Å; F62-V66 HydrophobicContact CG-CG2 4.47Å; F62-V66 HydrophobicContact CZ-CG2 3.81Å; F62-V66 WeakPolarHBondContact O-CB 3.49Å; F62-V66 WeakPolarHBondContact O-CG2 3.42Å; F62-V66 PolarHBondContact O-N 2.98Å; F62-V328 HydrophobicContact CE1-CG1 4.06Å; F62-A331 HydrophobicContact CZ-CB 4.43Å; F62-L332 HydrophobicContact CZ-CD2 4.04Å; F62-Y337 HydrophobicContact CD2-CD1 4.45Å; F62-Y337 AromaticContact CE2-CD1 3.72Å; F62-Y337 HydrophobicContact CE2-CD1 3.72Å; F62-Y337 HydrophobicContact CE2-CG 4.38Å; F62-F341 HydrophobicContact CB-CZ 4.18Å; F62-F341 HydrophobicContact CD1-CE2 4.33Å; F62-F341 AromaticContact CD1-CZ 3.77Å; F62-F341 HydrophobicContact CD1-CZ 3.77Å; F62-F341 AromaticContact CD2-CE2 3.95Å; F62-F341 HydrophobicContact CD2-CE2 3.95Å; F62-F341 AromaticContact CD2-CZ 3.74Å; F62-F341 HydrophobicContact CD2-CZ 3.74Å; F62-F341 HydrophobicContact CE1-CE2 4.16Å; F62-F341 HydrophobicContact CE1-CZ 4.04Å; F62-F341 AromaticContact CE2-CE2 3.71Å; F62-F341 HydrophobicContact CE2-CE2 3.71Å; F62-F341 AromaticContact CE2-CZ 3.95Å; F62-F341 HydrophobicContact CE2-CZ 3.95Å; F62-F341 HydrophobicContact CG-CE2 4.24Å; F62-F341 AromaticContact CG-CZ 3.62Å; F62-F341 HydrophobicContact CG-CZ 3.62Å; F62-F341 AromaticContact CZ-CE2 3.84Å; F62-F341 HydrophobicContact CZ-CE2 3.84Å; F62-F341 HydrophobicContact CZ-CZ 4.12Å
63L97.9Very high96.7Very high0 Ų038.7 Ų38.70%020%0.196CC..Hα-helixtrans-60.5-42.1178-72178.7000111.4V56 D59 H60 E61 L67 W81 Y84 L322 A323 V328V56-L63 HydrophobicContact CG1-CD2 3.92Å; D59-L63 WeakPolarHBondContact O-CG 3.45Å; D59-L63 PolarHBondContact O-N 2.77Å; D59-L63 VanDerWaalsContact O-N 3.07Å; H60-L63 PolarHBondContact O-N 3.28Å; E61-L63 PolarHBondContact O-N 3.03Å; L63-L67 HydrophobicContact CB-CD1 4.37Å; L63-L67 HydrophobicContact CD2-CD1 4.38Å; L63-L67 WeakPolarHBondContact O-CB 3.46Å; L63-L67 WeakPolarHBondContact O-CG 3.47Å; L63-L67 PolarHBondContact O-N 3.41Å; L63-W81 HydrophobicContact CB-CZ3 4.07Å; L63-Y84 HydrophobicContact CD1-CE1 4.49Å; L63-L322 HydrophobicContact CD1-CB 4.48Å; L63-A323 HydrophobicContact CD2-CB 4.26Å; L63-V328 HydrophobicContact CD2-CG2 4.39Å
64G97.1Very high96.6Very high16 Ų1638.8 Ų38.817%0.16520%0.197CC..Hα-helixtrans-61.4-49.1177.700000112.2H60 E61 F62 K68 W81H60-G64 PolarHBondContact O-N 3Å; E61-G64 PolarHBondContact O-N 3.23Å; F62-G64 VanDerWaalsContact C-N 3.3Å; F62-G64 PolarHBondContact O-N 2.9Å; G64-K68 WeakPolarHBondContact O-CB 3.39Å; G64-K68 PolarHBondContact O-N 2.77Å; G64-W81 VanDerWaalsContact CA-CH2 3.43Å
65D96.7Very high96.4Very high120 Ų12042.5 Ų42.564%0.64222%0.221SC*.Hα-helixtrans-63.5-46.9-178.3-71.5-18000111.9E61 F62E61-D65 WeakPolarHBondContact O-CB 3.48Å; E61-D65 VanDerWaalsContact O-CG 3.31Å; E61-D65 PolarHBondContact O-N 3.36Å; F62-D65 PolarHBondContact O-N 3.23Å
66V97Very high96.3Very high4 Ų439.3 Ų39.32%0.02421%0.21CC..Hα-helixtrans-71.4-38.3-177.5172.70000112.1F62 I327 V328 A331 Y337 I368F62-V66 HydrophobicContact CD1-CG2 4.44Å; F62-V66 HydrophobicContact CD2-CG2 4.17Å; F62-V66 HydrophobicContact CE1-CG2 4.1Å; F62-V66 HydrophobicContact CE2-CG2 3.86Å; F62-V66 HydrophobicContact CG-CG2 4.47Å; F62-V66 HydrophobicContact CZ-CG2 3.81Å; F62-V66 WeakPolarHBondContact O-CB 3.49Å; F62-V66 WeakPolarHBondContact O-CG2 3.42Å; F62-V66 PolarHBondContact O-N 2.98Å; V66-I327 HydrophobicContact CG1-CG1 4.24Å; V66-I327 HydrophobicContact CG1-CG2 4.42Å; V66-V328 HydrophobicContact CG1-CG2 3.84Å; V66-A331 HydrophobicContact CG1-CB 4.12Å; V66-A331 HydrophobicContact CG2-CB 4.27Å; V66-Y337 HydrophobicContact CG2-CE1 4.27Å; V66-I368 HydrophobicContact CG1-CD1 4.33Å
67L96.8Very high96.1Very high0 Ų039.5 Ų39.50%021%0.211CC..Hα-helixtrans-87.1-26.3-174.3-60.1174.9000113.2L63 P69 V70 L71 L77 W81 L322 T325 I327 V328L63-L67 HydrophobicContact CB-CD1 4.37Å; L63-L67 HydrophobicContact CD2-CD1 4.38Å; L63-L67 WeakPolarHBondContact O-CB 3.46Å; L63-L67 WeakPolarHBondContact O-CG 3.47Å; L63-L67 PolarHBondContact O-N 3.41Å; L67-P69 VanDerWaalsContact C-CD 3.42Å; L67-P69 VanDerWaalsContact C-N 3.33Å; L67-P69 VanDerWaalsContact O-N 3.1Å; L67-V70 HydrophobicContact CB-CG1 4.35Å; L67-V70 HydrophobicContact CD2-CG1 4.31Å; L67-V70 WeakPolarHBondContact O-CG1 3.47Å; L67-V70 PolarHBondContact O-N 2.84Å; L67-L71 HydrophobicContact CB-CG 4.31Å; L67-L71 WeakPolarHBondContact O-CG 3.37Å; L67-L71 PolarHBondContact O-N 2.77Å; L67-L77 HydrophobicContact CD2-CD2 4.18Å; L67-W81 HydrophobicContact CD1-CE3 4.15Å; L67-W81 HydrophobicContact CD1-CZ3 4.2Å; L67-L322 HydrophobicContact CD1-CB 4.03Å; L67-L322 HydrophobicContact CD1-CD2 4.04Å; L67-T325 HydrophobicContact CD2-CG2 4.35Å; L67-T325 WeakPolarHBondContact CD2-OG1 3.42Å; L67-I327 HydrophobicContact CD2-CG2 3.55Å; L67-V328 HydrophobicContact CD2-CG2 3.91Å; L67-V328 HydrophobicContact CG-CG2 4.47Å
68K96.2Very high96.1Very high154 Ų15444.2 Ų44.267%0.6723%0.228SC*.Hα-helixtrans-46-46.1-173.8173.2-177.8-176.3-175.20114.6G64 V70 L71G64-K68 WeakPolarHBondContact O-CB 3.39Å; G64-K68 PolarHBondContact O-N 2.77Å; K68-V70 VanDerWaalsContact C-N 3.35Å; K68-V70 PolarHBondContact O-N 3.45Å; K68-L71 PolarHBondContact O-N 2.81Å
69P94.7Very high96.2Very high21 Ų2143.7 Ų43.714%0.13623%0.229CC..Hα-helixtrans-62.8-40179.9-24.437000112.7L67 S72 E365 M366L67-P69 VanDerWaalsContact C-CD 3.42Å; L67-P69 VanDerWaalsContact C-N 3.33Å; L67-P69 VanDerWaalsContact O-N 3.1Å; P69-S72 PolarHBondContact O-OG 3.35Å; P69-E365 VanDerWaalsContact CG-O 3.24Å; P69-E365 WeakPolarHBondContact CG-O 3.37Å; P69-M366 HydrophobicContact CB-CE 4.33Å; P69-M366 HydrophobicContact CB-SD 3.54Å; P69-M366 VanDerWaalsContact CB-SD 3.54Å; P69-M366 HydrophobicContact CG-SD 4.35Å
70V94.7Very high96.2Very high0 Ų042.4 Ų42.40%022%0.222CC..Hα-helixtrans-77.2-29.2-178.362.10000112.8L67 K68 S72 V73 D74 L77 I327 M366 Q393 L421L67-V70 HydrophobicContact CB-CG1 4.35Å; L67-V70 HydrophobicContact CD2-CG1 4.31Å; L67-V70 WeakPolarHBondContact O-CG1 3.47Å; L67-V70 PolarHBondContact O-N 2.84Å; K68-V70 VanDerWaalsContact C-N 3.35Å; K68-V70 PolarHBondContact O-N 3.45Å; V70-S72 PolarHBondContact O-N 2.78Å; V70-S72 VanDerWaalsContact O-N 3.07Å; V70-V73 HydrophobicContact CG2-CG2 4.27Å; V70-V73 VanDerWaalsContact O-CG2 3.27Å; V70-V73 WeakPolarHBondContact O-CG2 3.46Å; V70-V73 PolarHBondContact O-N 3.15Å; V70-D74 HydrophobicContact CG2-CB 4.01Å; V70-D74 PolarHBondContact O-N 3.27Å; V70-L77 HydrophobicContact CB-CD2 4.31Å; V70-L77 HydrophobicContact CG1-CD2 3.39Å; V70-L77 HydrophobicContact CG2-CD2 4.01Å; V70-I327 HydrophobicContact CG1-CG2 4.26Å; V70-M366 HydrophobicContact CB-CE 4.26Å; V70-Q393 HydrophobicContact CG2-CG 4.24Å; V70-L421 HydrophobicContact CG2-CD2 3.93Å
71L95.3Very high96.3Very high22 Ų2241.3 Ų41.312%0.11522%0.216CC..Hα-helixtrans-57.9-25.5174.8-62.6-179.7000112.7L67 K68 V73 L77 R78 W81L67-L71 HydrophobicContact CB-CG 4.31Å; L67-L71 WeakPolarHBondContact O-CG 3.37Å; L67-L71 PolarHBondContact O-N 2.77Å; K68-L71 PolarHBondContact O-N 2.81Å; L71-V73 VanDerWaalsContact C-N 3.32Å; L71-L77 HydrophobicContact CD2-CB 4.33Å; L71-L77 HydrophobicContact CD2-CD2 4.09Å; L71-L77 HydrophobicContact CD2-CG 3.71Å; L71-R78 VanDerWaalsContact O-CZ 3.24Å; L71-R78 PolarHBondContact O-NE 2.91Å; L71-R78 PolarHBondContact O-NH2 3.38Å; L71-W81 HydrophobicContact CD1-CB 4.07Å; L71-W81 HydrophobicContact CD1-CD2 3.75Å; L71-W81 HydrophobicContact CD1-CE3 4.37Å; L71-W81 HydrophobicContact CD1-CG 3.55Å; L71-W81 HydrophobicContact CD2-CB 3.72Å; L71-W81 HydrophobicContact CD2-CG 4.14Å
72S92.4Very high96.3Very high70 Ų7038.8 Ų38.849%0.4921%0.206SC..THydrogen-bonded Turntrans-72.6-22.6177.372.60000113.8P69 V70 R78P69-S72 PolarHBondContact O-OG 3.35Å; V70-S72 PolarHBondContact O-N 2.78Å; V70-S72 VanDerWaalsContact O-N 3.07Å; S72-R78 PolarHBondContact O-NH2 3.18Å
73V93.9Very high96.3Very high33 Ų3338.9 Ų38.920%0.221%0.207CC..THydrogen-bonded Turntrans-119.5-16.1-173.4-670000114.2V70 L71 P75 K420 L421V70-V73 HydrophobicContact CG2-CG2 4.27Å; V70-V73 VanDerWaalsContact O-CG2 3.27Å; V70-V73 WeakPolarHBondContact O-CG2 3.46Å; V70-V73 PolarHBondContact O-N 3.15Å; L71-V73 VanDerWaalsContact C-N 3.32Å; V73-P75 WeakPolarHBondContact O-CD 3.32Å; V73-K420 HydrophobicContact CG1-CD 4.39Å; V73-K420 HydrophobicContact CG2-CB 3.97Å; V73-L421 HydrophobicContact CB-CD2 4.32Å; V73-L421 HydrophobicContact CG2-CD2 3.6Å; V73-L421 HydrophobicContact CG2-CG 4.1Å
74D95.4Very high96.3Very high3 Ų339.2 Ų39.22%0.01621%0.208CC..  trans-112.1100179.4-166-11.2000111.9V70 Y76 L77 R78 R394 L421V70-D74 HydrophobicContact CG2-CB 4.01Å; V70-D74 PolarHBondContact O-N 3.27Å; D74-Y76 VanDerWaalsContact C-N 3.28Å; D74-Y76 PolarHBondContact O-N 3.35Å; D74-Y76 PolarHBondContact OD1-N 2.88Å; D74-L77 HydrophobicContact CB-CB 3.96Å; D74-L77 PolarHBondContact O-N 2.85Å; D74-R78 WeakPolarHBondContact O-CB 3.42Å; D74-R78 PolarHBondContact O-N 2.93Å; D74-R394 IonicContact OD1-CZ 2.65Å; D74-R394 IonicContact OD1-NH1 2.96Å; D74-R394 PolarHBondContact OD1-NH1 3.37Å; D74-R394 IonicContact OD1-NH2 3.62Å; D74-R394 PolarHBondContact OD1-NH2 2.81Å; D74-R394 IonicContact OD2-CZ 3.35Å; D74-R394 IonicContact OD2-NH1 3.61Å; D74-R394 PolarHBondContact OD2-NH1 3.16Å; D74-R394 IonicContact OD2-NH2 3.62Å; D74-L421 HydrophobicContact CB-CD2 3.72Å
75P95.2Very high96.3Very high82 Ų8240.5 Ų40.553%0.53222%0.215SC..Hα-helixtrans-58.9-36.9178.9-24.834.4000113.5V73 R78 S79V73-P75 WeakPolarHBondContact O-CD 3.32Å; P75-R78 WeakPolarHBondContact O-CB 3.46Å; P75-R78 PolarHBondContact O-N 2.86Å; P75-S79 PolarHBondContact O-N 3.39Å; P75-S79 PolarHBondContact O-OG 3.05Å
76Y95.5Very high96.2Very high28 Ų2840.7 Ų40.711%0.1121%0.206CC..Hα-helixtrans-64.8-48.2-179.4165.5-104.7000111.1D74 R78 S79 L80 G289 Y290 P292 F295 W301D74-Y76 VanDerWaalsContact C-N 3.28Å; D74-Y76 PolarHBondContact O-N 3.35Å; D74-Y76 PolarHBondContact OD1-N 2.88Å; Y76-R78 VanDerWaalsContact C-N 3.3Å; Y76-R78 PolarHBondContact O-N 2.71Å; Y76-S79 PolarHBondContact O-N 2.65Å; Y76-L80 HydrophobicContact CD1-CD1 4.3Å; Y76-L80 HydrophobicContact CE1-CD1 3.65Å; Y76-L80 HydrophobicContact CE1-CG 4.48Å; Y76-L80 HydrophobicContact CE2-CD1 4.29Å; Y76-L80 HydrophobicContact CE2-CD2 4.44Å; Y76-L80 HydrophobicContact CE2-CG 4.37Å; Y76-L80 PolarHBondContact O-N 3.38Å; Y76-L80 VanDerWaalsContact O-N 3.11Å; Y76-G289 PolarHBondContact OH-O 3.39Å; Y76-Y290 VanDerWaalsContact OH-C 3.22Å; Y76-Y290 WeakPolarHBondContact OH-CA 3.39Å; Y76-Y290 PolarHBondContact OH-O 3.3Å; Y76-P292 HydrophobicContact CD1-CG 4.48Å; Y76-P292 HydrophobicContact CD2-CB 4.35Å; Y76-P292 HydrophobicContact CD2-CG 4.17Å; Y76-P292 HydrophobicContact CG-CB 4.49Å; Y76-P292 HydrophobicContact CG-CG 3.92Å; Y76-F295 HydrophobicContact CD2-CD2 4.41Å; Y76-F295 AromaticContact CE2-CD2 3.95Å; Y76-F295 HydrophobicContact CE2-CD2 3.95Å; Y76-F295 AromaticContact CE2-CE2 3.92Å; Y76-F295 HydrophobicContact CE2-CE2 3.92Å; Y76-W301 AromaticContact CD2-CH2 3.71Å; Y76-W301 HydrophobicContact CD2-CH2 3.71Å; Y76-W301 AromaticContact CD2-CZ2 3.92Å; Y76-W301 HydrophobicContact CD2-CZ2 3.92Å; Y76-W301 AromaticContact CE2-CH2 3.91Å; Y76-W301 HydrophobicContact CE2-CH2 3.91Å; Y76-W301 HydrophobicContact CE2-CZ2 4.46Å
77L96.1Very high96.1Very high4 Ų441 Ų412%0.02121%0.208CC..Hα-helixtrans-66.8-34.5178.5-172.862.6000111.8L67 V70 L71 D74 L80 W81 L322 T325L67-L77 HydrophobicContact CD2-CD2 4.18Å; V70-L77 HydrophobicContact CB-CD2 4.31Å; V70-L77 HydrophobicContact CG1-CD2 3.39Å; V70-L77 HydrophobicContact CG2-CD2 4.01Å; L71-L77 HydrophobicContact CD2-CB 4.33Å; L71-L77 HydrophobicContact CD2-CD2 4.09Å; L71-L77 HydrophobicContact CD2-CG 3.71Å; D74-L77 HydrophobicContact CB-CB 3.96Å; D74-L77 PolarHBondContact O-N 2.85Å; L77-L80 HydrophobicContact CD1-CD1 4.27Å; L77-L80 PolarHBondContact O-N 3.31Å; L77-W81 WeakPolarHBondContact O-CB 3.46Å; L77-W81 PolarHBondContact O-N 3.25Å; L77-L322 HydrophobicContact CD1-CD2 3.6Å; L77-T325 HydrophobicContact CD1-CG2 3.65Å; L77-T325 HydrophobicContact CD2-CG2 4.49Å
78R97.3Very high95.9Very high99 Ų9947.2 Ų47.237%0.37423%0.231SC..Hα-helixtrans-58.9-47.6171.4-170.8-175.1-56.6151.85.4111.8L71 S72 D74 P75 Y76 L80 W81 D82L71-R78 VanDerWaalsContact O-CZ 3.24Å; L71-R78 PolarHBondContact O-NE 2.91Å; L71-R78 PolarHBondContact O-NH2 3.38Å; S72-R78 PolarHBondContact O-NH2 3.18Å; D74-R78 WeakPolarHBondContact O-CB 3.42Å; D74-R78 PolarHBondContact O-N 2.93Å; P75-R78 WeakPolarHBondContact O-CB 3.46Å; P75-R78 PolarHBondContact O-N 2.86Å; Y76-R78 VanDerWaalsContact C-N 3.3Å; Y76-R78 PolarHBondContact O-N 2.71Å; R78-L80 VanDerWaalsContact C-N 3.32Å; R78-L80 PolarHBondContact O-N 3.25Å; R78-W81 CarbonylContact O-C 3.43Å; R78-W81 WeakPolarHBondContact O-CB 3.45Å; R78-W81 PolarHBondContact O-N 3.3Å; R78-W81 VanDerWaalsContact O-N 3.1Å; R78-D82 VanDerWaalsContact O-CG 3.23Å; R78-D82 PolarHBondContact O-N 3.44Å
79S98Very high95.7Very high34 Ų3445.5 Ų45.524%0.23823%0.234CC..Hα-helixtrans-61.5-38.7177.3-62.80000112.7P75 Y76 D82 I83P75-S79 PolarHBondContact O-N 3.39Å; P75-S79 PolarHBondContact O-OG 3.05Å; Y76-S79 PolarHBondContact O-N 2.65Å; S79-D82 PolarHBondContact O-N 3.32Å; S79-I83 PolarHBondContact O-N 3.33Å; S79-I83 VanDerWaalsContact O-N 3.14Å
80L97.7Very high95.6Very high3 Ų348.8 Ų48.82%0.01625%0.246CC..Hα-helixtrans-62.5-44.3172.2-64.6176.3000111.7Y76 L77 R78 D82 I83 Y84 W301 I318 M321 L322Y76-L80 HydrophobicContact CD1-CD1 4.3Å; Y76-L80 HydrophobicContact CE1-CD1 3.65Å; Y76-L80 HydrophobicContact CE1-CG 4.48Å; Y76-L80 HydrophobicContact CE2-CD1 4.29Å; Y76-L80 HydrophobicContact CE2-CD2 4.44Å; Y76-L80 HydrophobicContact CE2-CG 4.37Å; Y76-L80 PolarHBondContact O-N 3.38Å; Y76-L80 VanDerWaalsContact O-N 3.11Å; L77-L80 HydrophobicContact CD1-CD1 4.27Å; L77-L80 PolarHBondContact O-N 3.31Å; R78-L80 VanDerWaalsContact C-N 3.32Å; R78-L80 PolarHBondContact O-N 3.25Å; L80-D82 VanDerWaalsContact C-N 3.35Å; L80-I83 PolarHBondContact O-N 3.39Å; L80-Y84 WeakPolarHBondContact O-CB 3.27Å; L80-Y84 PolarHBondContact O-N 3.47Å; L80-W301 HydrophobicContact CD2-CH2 4.13Å; L80-W301 HydrophobicContact CD2-CZ3 3.87Å; L80-W301 HydrophobicContact CG-CH2 4.29Å; L80-W301 HydrophobicContact CG-CZ3 4.37Å; L80-I318 HydrophobicContact CB-CD1 3.87Å; L80-I318 HydrophobicContact CD2-CD1 3.39Å; L80-I318 HydrophobicContact CG-CD1 4.18Å; L80-I318 WeakPolarHBondContact O-CG1 3.43Å; L80-M321 HydrophobicContact CD1-CE 4.26Å; L80-M321 HydrophobicContact CD2-CE 3.79Å; L80-L322 HydrophobicContact CB-CD2 3.89Å
81W98Very high95.1Very high38 Ų3858.2 Ų58.214%0.14429%0.29CS..Hα-helixtrans-64.4-37.2177.7-178.2-94000112.8H60 L63 G64 L67 L71 L77 R78 Y84 S85 L322H60-W81 AromaticContact CE1-CH2 3.74Å; H60-W81 AromaticContact CE1-CZ2 3.84Å; H60-W81 AromaticContact ND1-CH2 3.91Å; L63-W81 HydrophobicContact CB-CZ3 4.07Å; G64-W81 VanDerWaalsContact CA-CH2 3.43Å; L67-W81 HydrophobicContact CD1-CE3 4.15Å; L67-W81 HydrophobicContact CD1-CZ3 4.2Å; L71-W81 HydrophobicContact CD1-CB 4.07Å; L71-W81 HydrophobicContact CD1-CD2 3.75Å; L71-W81 HydrophobicContact CD1-CE3 4.37Å; L71-W81 HydrophobicContact CD1-CG 3.55Å; L71-W81 HydrophobicContact CD2-CB 3.72Å; L71-W81 HydrophobicContact CD2-CG 4.14Å; L77-W81 WeakPolarHBondContact O-CB 3.46Å; L77-W81 PolarHBondContact O-N 3.25Å; R78-W81 CarbonylContact O-C 3.43Å; R78-W81 WeakPolarHBondContact O-CB 3.45Å; R78-W81 PolarHBondContact O-N 3.3Å; R78-W81 VanDerWaalsContact O-N 3.1Å; W81-Y84 HydrophobicContact CD2-CD1 4.31Å; W81-Y84 AromaticContact CE3-CD1 3.8Å; W81-Y84 HydrophobicContact CE3-CD1 3.8Å; W81-Y84 HydrophobicContact CE3-CE1 4.29Å; W81-Y84 HydrophobicContact CH2-CD1 4.19Å; W81-Y84 AromaticContact CH2-CE1 3.98Å; W81-Y84 HydrophobicContact CH2-CE1 3.98Å; W81-Y84 AromaticContact CZ3-CD1 3.74Å; W81-Y84 HydrophobicContact CZ3-CD1 3.74Å; W81-Y84 AromaticContact CZ3-CE1 3.74Å; W81-Y84 HydrophobicContact CZ3-CE1 3.74Å; W81-Y84 PolarHBondContact O-N 2.93Å; W81-S85 PolarHBondContact NE1-OG 3.31Å; W81-S85 WeakPolarHBondContact O-CB 3.31Å; W81-S85 PolarHBondContact O-N 3.26Å; W81-S85 PolarHBondContact O-OG 2.8Å; W81-L322 HydrophobicContact CE3-CD1 3.96Å; W81-L322 HydrophobicContact CZ3-CD1 4.45Å
82D98.1Very high94.4Very high78 Ų7860.2 Ų60.242%0.41730%0.3SS..Hα-helixtrans-65.7-43.1177.4-69.4-21.2000111R78 S79 L80 S85 R86R78-D82 VanDerWaalsContact O-CG 3.23Å; R78-D82 PolarHBondContact O-N 3.44Å; S79-D82 PolarHBondContact O-N 3.32Å; L80-D82 VanDerWaalsContact C-N 3.35Å; D82-S85 PolarHBondContact O-N 3.11Å; D82-R86 WeakPolarHBondContact O-CB 3.39Å; D82-R86 WeakPolarHBondContact O-CD 3.17Å; D82-R86 WeakPolarHBondContact O-CG 3.35Å; D82-R86 PolarHBondContact O-N 2.96Å
83I97.9Very high94Very high7 Ų759.3 Ų59.34%0.03629%0.292CS..Hα-helixtrans-59.7-49.9171.7-71.6177.2000110.2S79 L80 S85 R86 I87 W301 K304 Y305 E308 I318S79-I83 PolarHBondContact O-N 3.33Å; S79-I83 VanDerWaalsContact O-N 3.14Å; L80-I83 PolarHBondContact O-N 3.39Å; I83-S85 VanDerWaalsContact C-N 3.33Å; I83-S85 PolarHBondContact O-N 3.44Å; I83-R86 PolarHBondContact O-N 3.1Å; I83-I87 HydrophobicContact CG2-CG2 4.45Å; I83-I87 WeakPolarHBondContact O-CG2 3.31Å; I83-I87 PolarHBondContact O-N 2.99Å; I83-W301 HydrophobicContact CD1-CE3 3.77Å; I83-W301 HydrophobicContact CD1-CZ3 4.2Å; I83-K304 HydrophobicContact CD1-CB 4.13Å; I83-K304 HydrophobicContact CD1-CG 3.84Å; I83-Y305 HydrophobicContact CG1-CD2 4.45Å; I83-Y305 HydrophobicContact CG2-CD2 4.25Å; I83-E308 HydrophobicContact CG2-CB 4.15Å; I83-E308 HydrophobicContact CG2-CG 4.07Å; I83-I318 HydrophobicContact CG2-CD1 4.46Å; I83-I318 HydrophobicContact CG2-CG1 4.19Å
84Y97.5Very high94.1Very high8 Ų858.3 Ų58.33%0.03129%0.285CS..Hα-helixtrans-56.6-46178.6171.5-128.5000112.3H60 L63 L80 W81 R86 I87 R88 I318 Q319 L322H60-Y84 AromaticContact ND1-CE1 3.64Å; H60-Y84 AromaticContact ND1-CZ 3.95Å; L63-Y84 HydrophobicContact CD1-CE1 4.49Å; L80-Y84 WeakPolarHBondContact O-CB 3.27Å; L80-Y84 PolarHBondContact O-N 3.47Å; W81-Y84 HydrophobicContact CD2-CD1 4.31Å; W81-Y84 AromaticContact CE3-CD1 3.8Å; W81-Y84 HydrophobicContact CE3-CD1 3.8Å; W81-Y84 HydrophobicContact CE3-CE1 4.29Å; W81-Y84 HydrophobicContact CH2-CD1 4.19Å; W81-Y84 AromaticContact CH2-CE1 3.98Å; W81-Y84 HydrophobicContact CH2-CE1 3.98Å; W81-Y84 AromaticContact CZ3-CD1 3.74Å; W81-Y84 HydrophobicContact CZ3-CD1 3.74Å; W81-Y84 AromaticContact CZ3-CE1 3.74Å; W81-Y84 HydrophobicContact CZ3-CE1 3.74Å; W81-Y84 PolarHBondContact O-N 2.93Å; Y84-R86 PolarHBondContact O-N 2.96Å; Y84-I87 HydrophobicContact CD2-CD1 4.36Å; Y84-I87 HydrophobicContact CD2-CG1 4.43Å; Y84-I87 WeakPolarHBondContact O-CG1 3.33Å; Y84-I87 PolarHBondContact O-N 3.36Å; Y84-R88 HydrophobicContact CD2-CG 4.23Å; Y84-R88 VanDerWaalsContact CE2-CD 3.48Å; Y84-R88 HydrophobicContact CE2-CG 3.81Å; Y84-R88 WeakPolarHBondContact O-CG 3.39Å; Y84-R88 PolarHBondContact O-N 2.87Å; Y84-I318 HydrophobicContact CD2-CG2 4.11Å; Y84-Q319 HydrophobicContact CD2-CG 3.64Å; Y84-Q319 HydrophobicContact CE2-CG 3.3Å; Y84-L322 HydrophobicContact CD1-CD1 3.51Å; Y84-L322 HydrophobicContact CD2-CD1 4.49Å; Y84-L322 HydrophobicContact CE1-CD1 4.27Å; Y84-L322 HydrophobicContact CG-CD1 3.62Å
85S97Very high94Very high42 Ų4261.9 Ų61.929%0.29430%0.304SS..Hα-helixtrans-62.8-42.8178.6-61.50000111.3W81 D82 I83 R88W81-S85 PolarHBondContact NE1-OG 3.31Å; W81-S85 WeakPolarHBondContact O-CB 3.31Å; W81-S85 PolarHBondContact O-N 3.26Å; W81-S85 PolarHBondContact O-OG 2.8Å; D82-S85 PolarHBondContact O-N 3.11Å; I83-S85 VanDerWaalsContact C-N 3.33Å; I83-S85 PolarHBondContact O-N 3.44Å; S85-R88 PolarHBondContact O-N 2.91Å
86R96.1Very high94.2Very high124 Ų12458.6 Ų58.647%0.46828%0.282SS..Hα-helixtrans-64.6-45.5177.7-72.2168.566.5-175.10.9112.5D82 I83 Y84 R88 T89 Y305D82-R86 WeakPolarHBondContact O-CB 3.39Å; D82-R86 WeakPolarHBondContact O-CD 3.17Å; D82-R86 WeakPolarHBondContact O-CG 3.35Å; D82-R86 PolarHBondContact O-N 2.96Å; I83-R86 PolarHBondContact O-N 3.1Å; Y84-R86 PolarHBondContact O-N 2.96Å; R86-R88 PolarHBondContact O-N 2.72Å; R86-T89 PolarHBondContact O-N 3.3Å; R86-T89 PolarHBondContact O-OG1 2.78Å; R86-Y305 HydrophobicContact CB-CE2 3.79Å; R86-Y305 VanDerWaalsContact NH2-CZ 3.33Å
87I95Very high94.3Very high10 Ų1057.5 Ų57.55%0.05128%0.278CS..Hα-helixtrans-65.3-29.3-178.462.6166.4000112.2I83 Y84 T89 K90 T93 Y305 E308 Q309 I318I83-I87 HydrophobicContact CG2-CG2 4.45Å; I83-I87 WeakPolarHBondContact O-CG2 3.31Å; I83-I87 PolarHBondContact O-N 2.99Å; Y84-I87 HydrophobicContact CD2-CD1 4.36Å; Y84-I87 HydrophobicContact CD2-CG1 4.43Å; Y84-I87 WeakPolarHBondContact O-CG1 3.33Å; Y84-I87 PolarHBondContact O-N 3.36Å; I87-T89 PolarHBondContact O-N 3.43Å; I87-K90 WeakPolarHBondContact O-CB 3.34Å; I87-K90 PolarHBondContact O-N 3.05Å; I87-K90 VanDerWaalsContact O-N 3.16Å; I87-T93 WeakPolarHBondContact O-CG2 3.4Å; I87-Y305 HydrophobicContact CG2-CD2 4.33Å; I87-Y305 HydrophobicContact CG2-CE2 4.08Å; I87-E308 HydrophobicContact CG2-CB 4.2Å; I87-Q309 HydrophobicContact CG2-CB 4.22Å; I87-I318 HydrophobicContact CD1-CG2 3.39Å; I87-I318 HydrophobicContact CG1-CG2 4.43Å
88R92.8Very high94.4Very high131 Ų13157.3 Ų57.349%0.49428%0.277SS..Hα-helixtrans-67.1-22.5176.6-75.7-171.465.8-141.68114.1H60 Y84 S85 R86 K90H60-R88 PolarHBondContact CD2-NH1 2.97Å; H60-R88 PolarHBondContact CE1-NH1 3.02Å; H60-R88 VanDerWaalsContact CG-CZ 3.5Å; H60-R88 PolarHBondContact ND1-NH1 3.07Å; H60-R88 PolarHBondContact NE2-NH1 3.44Å; Y84-R88 HydrophobicContact CD2-CG 4.23Å; Y84-R88 VanDerWaalsContact CE2-CD 3.48Å; Y84-R88 HydrophobicContact CE2-CG 3.81Å; Y84-R88 WeakPolarHBondContact O-CG 3.39Å; Y84-R88 PolarHBondContact O-N 2.87Å; S85-R88 PolarHBondContact O-N 2.91Å; R86-R88 PolarHBondContact O-N 2.72Å; R88-K90 VanDerWaalsContact C-N 3.3Å
89T92.1Very high94.5Very high119 Ų11952.6 Ų52.673%0.7326%0.259SS*.THydrogen-bonded Turntrans-84.3-4.2176.3680000113.4R86 I87R86-T89 PolarHBondContact O-N 3.3Å; R86-T89 PolarHBondContact O-OG1 2.78Å; I87-T89 PolarHBondContact O-N 3.43Å
90K91.2Very high94.5Very high89 Ų8951.1 Ų51.139%0.38725%0.249SC..  trans-83.9139.1-178.2-67.7-72.3-170.71660111.2I87 R88 T93 Y305I87-K90 WeakPolarHBondContact O-CB 3.34Å; I87-K90 PolarHBondContact O-N 3.05Å; I87-K90 VanDerWaalsContact O-N 3.16Å; R88-K90 VanDerWaalsContact C-N 3.3Å; K90-T93 HydrophobicContact CB-CG2 3.68Å; K90-Y305 WeakPolarHBondContact CE-OH 3.3Å
91E84.5Confident94.5Very high199 Ų19951 Ų5193%0.9325%0.248SC*.SBendtrans-71.1-38.6174.8-63.1-179.5168.800112.3
92I80.9Confident94.6Very high64 Ų6449.9 Ų49.933%0.32824%0.244SC..SBendtrans-107.9109.3179.8-56.5177000108.7L311I92-L311 HydrophobicContact CG2-CD2 3.77Å; I92-L311 HydrophobicContact CG2-CG 4.23Å
93T84.4Confident94.6Very high50 Ų5046.2 Ų46.231%0.30722%0.224SC..  trans-136.1159.8170.159.10000110.5I87 K90 R215I87-T93 WeakPolarHBondContact O-CG2 3.4Å; K90-T93 HydrophobicContact CB-CG2 3.68Å; T93-R215 PolarHBondContact O-NH2 3.23Å
94Q95Very high94.5Very high13 Ų1345.9 Ų45.96%0.06122%0.222CC..  trans-86.4119.8166.4-177.453.9-101.700108.6I96 D211 L311 I313Q94-I96 WeakPolarHBondContact CG-O 3.44Å; Q94-D211 PolarHBondContact NE2-OD2 3.39Å; Q94-D211 VanDerWaalsContact NE2-OD2 3.17Å; Q94-L311 WeakPolarHBondContact CG-O 3.32Å; Q94-L311 PolarHBondContact NE2-O 3.4Å; Q94-I313 HydrophobicContact CG-CG1 3.78Å
95D94.4Very high94.6Very high78 Ų7845.5 Ų45.542%0.41722%0.221SC..  trans-92.5-20.6179.961-27.7000112.6C465D95-C465 HydrophobicContact CB-CB 4.44Å; D95-C465 WeakPolarHBondContact O-CA 3.22Å
96I98Very high94.6Very high12 Ų1244.5 Ų44.56%0.06221%0.212CC..  trans-75.4128.8172.5-57.1159.9000109.7Q94 M207 D211 I313 L463 A464 F470Q94-I96 WeakPolarHBondContact CG-O 3.44Å; I96-M207 HydrophobicContact CD1-CB 4.16Å; I96-D211 HydrophobicContact CD1-CB 4.2Å; I96-I313 HydrophobicContact CB-CD1 3.97Å; I96-I313 HydrophobicContact CB-CG1 4.07Å; I96-I313 HydrophobicContact CG2-CD1 3.63Å; I96-I313 HydrophobicContact CG2-CG1 4.11Å; I96-I313 HydrophobicContact CG2-CG2 4.49Å; I96-L463 HydrophobicContact CG2-CD1 3.63Å; I96-L463 HydrophobicContact CG2-CG 4.23Å; I96-A464 CarbonylContact C-O 3.57Å; I96-A464 WeakPolarHBondContact CA-O 3.43Å; I96-F470 HydrophobicContact CG1-CE2 4.07Å; I96-F470 HydrophobicContact CG2-CE2 4.31Å
97V98Very high94.6Very high6 Ų638.7 Ų38.74%0.03619%0.19CC..EExtended strand (participates in β ladder)trans-126.5143.1-179.1-62.60000110.5M58 C317 Y320 L463 A464M58-V97 HydrophobicContact CE-CG2 4.12Å; V97-C317 HydrophobicContact CG1-CB 3.91Å; V97-C317 VanDerWaalsContact CG1-SG 3.53Å; V97-Y320 HydrophobicContact CB-CE1 4.44Å; V97-Y320 HydrophobicContact CG2-CE1 3.77Å; V97-Y320 HydrophobicContact CG2-CE2 4.39Å; V97-Y320 WeakPolarHBondContact CG2-OH 3.45Å; V97-L463 WeakPolarHBondContact O-CA 3.34Å; V97-A464 WeakPolarHBondContact CG2-O 3.49Å; V97-A464 PolarHBondContact N-O 3.24Å; V97-A464 PolarHBondContact O-N 3.24Å; V97-A464 VanDerWaalsContact O-N 3.1Å
98L98.8Very high94.7Very high0 Ų039.6 Ų39.60%019%0.194CC..EExtended strand (participates in β ladder)trans-112.4129.5175.3174.763.3000109.2L100 A200 L201 A204 I313 K314 C315 I462 L463L98-L100 HydrophobicContact CD1-CD2 4.06Å; L98-L100 HydrophobicContact CD1-CG 4.44Å; L98-L100 HydrophobicContact CD2-CG 4.36Å; L98-L100 HydrophobicContact CG-CD2 4.42Å; L98-L100 HydrophobicContact CG-CG 4.27Å; L98-A200 HydrophobicContact CD1-CB 4.15Å; L98-L201 HydrophobicContact CD2-CD2 3.77Å; L98-L201 HydrophobicContact CD2-CG 4.39Å; L98-A204 HydrophobicContact CB-CB 4.47Å; L98-A204 HydrophobicContact CD2-CB 3.91Å; L98-I313 HydrophobicContact CB-CG2 3.92Å; L98-K314 PolarHBondContact N-O 2.89Å; L98-C315 HydrophobicContact CB-CB 4.08Å; L98-C315 HydrophobicContact CD2-CB 3.89Å; L98-C315 HydrophobicContact CG-CB 4.01Å; L98-C315 WeakPolarHBondContact O-CA 3.25Å; L98-I462 CarbonylContact C-O 3.56Å; L98-I462 WeakPolarHBondContact CA-O 3.12Å; L98-L463 HydrophobicContact CB-CD1 4.05Å; L98-L463 HydrophobicContact CD1-CB 4.44Å; L98-L463 HydrophobicContact CD1-CD1 4.31Å
99G98.7Very high94.8Very high0 Ų034.1 Ų34.10%018%0.175CC..EExtended strand (participates in β ladder)trans-114122.7168.100000110.1A461 I462G99-A461 CarbonylContact O-C 3.58Å; G99-A461 VanDerWaalsContact O-CA 3.32Å; G99-A461 WeakPolarHBondContact O-CA 3.5Å; G99-I462 PolarHBondContact N-O 2.88Å; G99-I462 PolarHBondContact O-N 2.59Å
100L98.8Very high95Very high3 Ų331.5 Ų31.52%0.01616%0.155CC..EExtended strand (participates in β ladder)trans-111.589.9168.3-63.8-177.2000107.1L98 C158 F197 A200 L201 Y285 C315 A461L98-L100 HydrophobicContact CD1-CD2 4.06Å; L98-L100 HydrophobicContact CD1-CG 4.44Å; L98-L100 HydrophobicContact CD2-CG 4.36Å; L98-L100 HydrophobicContact CG-CD2 4.42Å; L98-L100 HydrophobicContact CG-CG 4.27Å; L100-C158 PolarHBondContact O-SG 3.13Å; L100-F197 HydrophobicContact CB-CD2 4.04Å; L100-F197 HydrophobicContact CB-CE1 4.28Å; L100-F197 HydrophobicContact CB-CE2 3.71Å; L100-F197 HydrophobicContact CB-CG 4.49Å; L100-F197 HydrophobicContact CB-CZ 3.82Å; L100-F197 HydrophobicContact CD1-CB 4.38Å; L100-F197 HydrophobicContact CD1-CD2 3.99Å; L100-F197 HydrophobicContact CD1-CE2 4.49Å; L100-F197 HydrophobicContact CD1-CG 4.21Å; L100-F197 HydrophobicContact CD2-CB 4.36Å; L100-F197 HydrophobicContact CD2-CD1 3.83Å; L100-F197 HydrophobicContact CD2-CD2 4.31Å; L100-F197 HydrophobicContact CD2-CE1 4.1Å; L100-F197 HydrophobicContact CD2-CG 3.93Å; L100-F197 HydrophobicContact CD2-CZ 4.48Å; L100-F197 HydrophobicContact CG-CD2 4.34Å; L100-F197 HydrophobicContact CG-CE2 4.48Å; L100-F197 HydrophobicContact CG-CG 4.44Å; L100-A200 HydrophobicContact CD2-CB 3.83Å; L100-L201 HydrophobicContact CD1-CD1 4.35Å; L100-L201 HydrophobicContact CD1-CD2 4.17Å; L100-L201 HydrophobicContact CD1-CG 4.05Å; L100-Y285 HydrophobicContact CD1-CE2 4.03Å; L100-C315 VanDerWaalsContact CG-SG 3.55Å; L100-A461 HydrophobicContact CD2-CB 3.96Å
101N98.5Very high94.9Very high0 Ų033.3 Ų33.30%016%0.164CC..EExtended strand (participates in β ladder)trans-104.9161.3-162.3-51.3-34.8000111.6N50 F153 N154 F459 G460N50-N101 PolarHBondContact OD1-ND2 3.18Å; N101-F153 HydrophobicContact CB-CE1 3.66Å; N101-F153 HydrophobicContact CB-CE2 4.41Å; N101-F153 HydrophobicContact CB-CZ 3.5Å; N101-F153 VanDerWaalsContact CB-CZ 3.5Å; N101-N154 CarbonylContact C-O 3.5Å; N101-N154 WeakPolarHBondContact CA-O 3.49Å; N101-F459 WeakPolarHBondContact O-CA 3.1Å; N101-G460 PolarHBondContact N-O 3.27Å; N101-G460 PolarHBondContact O-N 2.69Å
102R98.2Very high95.2Very high15 Ų1530.3 Ų30.36%0.05716%0.155CC..EExtended strand (participates in β ladder)trans-138.2125168.8-165.5178.871.8-130.4-11.5110.7D104 N154 C158 S159 I458 F459R102-D104 WeakPolarHBondContact CD-OD1 3.49Å; R102-D104 IonicContact CZ-OD1 2.7Å; R102-D104 IonicContact CZ-OD2 3.25Å; R102-D104 VanDerWaalsContact NE-CG 3.33Å; R102-D104 IonicContact NE-OD1 3.85Å; R102-D104 PolarHBondContact NE-OD1 3.25Å; R102-D104 IonicContact NE-OD2 3.23Å; R102-D104 PolarHBondContact NE-OD2 3.17Å; R102-D104 IonicContact NH2-OD1 2.63Å; R102-D104 IonicContact NH2-OD2 3.79Å; R102-D104 PolarHBondContact NH2-OD2 3.21Å; R102-N154 HydrophobicContact CB-CB 4.4Å; R102-N154 PolarHBondContact N-O 2.96Å; R102-N154 PolarHBondContact NH2-ND2 3.25Å; R102-N154 PolarHBondContact O-N 3.18Å; R102-C158 HydrophobicContact CB-CB 4.41Å; R102-S159 PolarHBondContact NH1-O 2.66Å; R102-I458 CarbonylContact C-O 3.52Å; R102-I458 VanDerWaalsContact CA-O 3.25Å; R102-I458 WeakPolarHBondContact CA-O 3.47Å; R102-F459 HydrophobicContact CB-CD1 3.94Å; R102-F459 HydrophobicContact CB-CE1 4.17Å; R102-F459 VanDerWaalsContact CD-CE1 3.48Å; R102-F459 HydrophobicContact CG-CD1 3.87Å; R102-F459 HydrophobicContact CG-CE1 3.96Å; R102-F459 HydrophobicContact CG-CG 4.46Å
103S98.2Very high95.8Very high0 Ų028.3 Ų28.30%015%0.145CC..EExtended strand (participates in β ladder)trans-95121.7169-168.30000109.1Y105 Q150 G457 I458S103-Y105 WeakPolarHBondContact CB-OH 3.35Å; S103-Y105 VanDerWaalsContact OG-CE2 3.23Å; S103-Y105 WeakPolarHBondContact OG-CE2 3.47Å; S103-Y105 PolarHBondContact OG-OH 3.47Å; S103-Q150 PolarHBondContact OG-NE2 3.4Å; S103-G457 CarbonylContact O-C 3.56Å; S103-G457 WeakPolarHBondContact O-CA 3.36Å; S103-I458 PolarHBondContact N-O 2.88Å; S103-I458 PolarHBondContact O-N 3.34Å
104D97.4Very high96.3Very high0 Ų029.7 Ų29.70%016%0.155CC..EExtended strand (participates in β ladder)trans-103.6132.8-177.4-69.4-52.7000110.5R102 Q150 V151 E152 N154 E455 L456 G457 R480R102-D104 WeakPolarHBondContact CD-OD1 3.49Å; R102-D104 IonicContact CZ-OD1 2.7Å; R102-D104 IonicContact CZ-OD2 3.25Å; R102-D104 VanDerWaalsContact NE-CG 3.33Å; R102-D104 IonicContact NE-OD1 3.85Å; R102-D104 PolarHBondContact NE-OD1 3.25Å; R102-D104 IonicContact NE-OD2 3.23Å; R102-D104 PolarHBondContact NE-OD2 3.17Å; R102-D104 IonicContact NH2-OD1 2.63Å; R102-D104 IonicContact NH2-OD2 3.79Å; R102-D104 PolarHBondContact NH2-OD2 3.21Å; D104-Q150 CarbonylContact O-C 3.54Å; D104-Q150 WeakPolarHBondContact O-CA 3.39Å; D104-V151 HydrophobicContact CB-CB 4.34Å; D104-V151 PolarHBondContact O-N 2.71Å; D104-E152 HydrophobicContact CB-CG 4.26Å; D104-E152 PolarHBondContact N-O 2.81Å; D104-N154 PolarHBondContact OD2-ND2 2.86Å; D104-E455 HydrophobicContact CB-CG 4.34Å; D104-L456 CarbonylContact C-O 3.57Å; D104-L456 WeakPolarHBondContact CA-O 3.33Å; D104-G457 WeakPolarHBondContact OD1-CA 3.39Å; D104-R480 IonicContact OD1-CZ 2.75Å; D104-R480 IonicContact OD1-NH2 3.54Å; D104-R480 PolarHBondContact OD1-NH2 3.27Å; D104-R480 IonicContact OD2-NH2 3.52Å; D104-R480 PolarHBondContact OD2-NH2 2.91Å
105Y98Very high96.3Very high0 Ų035 Ų350%018%0.184CC..EExtended strand (participates in β ladder)trans-129.3149.3-175.1-57.4-87000111.6A42 F49 S103 I148 R149 Q150 T355 E455 L456 I458A42-Y105 HydrophobicContact CB-CD2 4.12Å; A42-Y105 HydrophobicContact CB-CE2 4.1Å; F49-Y105 VanDerWaalsContact CD2-OH 3.3Å; F49-Y105 WeakPolarHBondContact CD2-OH 3.43Å; F49-Y105 HydrophobicContact CE2-CE1 4.43Å; F49-Y105 WeakPolarHBondContact CE2-OH 3.4Å; S103-Y105 WeakPolarHBondContact CB-OH 3.35Å; S103-Y105 VanDerWaalsContact OG-CE2 3.23Å; S103-Y105 WeakPolarHBondContact OG-CE2 3.47Å; S103-Y105 PolarHBondContact OG-OH 3.47Å; Y105-I148 HydrophobicContact CD1-CB 4.21Å; Y105-R149 CarbonylContact C-O 3.54Å; Y105-R149 VanDerWaalsContact CA-O 3.25Å; Y105-R149 WeakPolarHBondContact CA-O 3.27Å; Y105-Q150 HydrophobicContact CD1-CB 4.03Å; Y105-Q150 HydrophobicContact CE1-CB 3.94Å; Y105-Q150 HydrophobicContact CE1-CG 4.34Å; Y105-T355 HydrophobicContact CE1-CG2 4.05Å; Y105-E455 CarbonylContact O-C 3.54Å; Y105-E455 WeakPolarHBondContact O-CA 3.19Å; Y105-L456 PolarHBondContact N-O 3.05Å; Y105-L456 PolarHBondContact O-N 3.23Å; Y105-I458 HydrophobicContact CD2-CG1 4.13Å; Y105-I458 HydrophobicContact CE2-CB 4.32Å; Y105-I458 HydrophobicContact CE2-CG1 3.93Å
106M96.9Very high96.3Very high21 Ų2136.9 Ų36.910%0.10320%0.199CC..EExtended strand (participates in β ladder)trans-116.2148.7161.5-76.1-179.2-179.900109.2H108 R149 V151 I428 E455M106-H108 PolarHBondContact O-N 3.27Å; M106-R149 PolarHBondContact N-O 3.21Å; M106-R149 PolarHBondContact O-N 3.42Å; M106-V151 HydrophobicContact CB-CG2 4.21Å; M106-V151 HydrophobicContact CE-CG2 4.34Å; M106-V151 HydrophobicContact CG-CG2 3.67Å; M106-V151 HydrophobicContact SD-CG2 4.17Å; M106-I428 HydrophobicContact CB-CB 4.25Å; M106-I428 HydrophobicContact CB-CD1 4.2Å; M106-I428 HydrophobicContact CB-CG2 3.54Å; M106-I428 HydrophobicContact SD-CB 4.44Å; M106-E455 HydrophobicContact CE-CB 4.19Å; M106-E455 HydrophobicContact CE-CG 4.32Å; M106-E455 HydrophobicContact CG-CB 4.45Å; M106-E455 HydrophobicContact CG-CG 4.42Å
107L96.8Very high96.2Very high2 Ų238.4 Ų38.41%0.0121%0.205CC..EExtended strand (participates in β ladder)trans-82.9103.9173.7-58.7-168.2000109.4L34 P35 L38 L146 L147 I148 P430 Y431L34-L107 HydrophobicContact CG-CD1 4.38Å; P35-L107 HydrophobicContact CG-CD1 4.49Å; L38-L107 HydrophobicContact CB-CD2 4.25Å; L38-L107 HydrophobicContact CD1-CD1 4.06Å; L38-L107 HydrophobicContact CD1-CD2 3.94Å; L107-L146 HydrophobicContact CB-CD1 3.83Å; L107-L146 HydrophobicContact CB-CD2 4.47Å; L107-L146 HydrophobicContact CB-CG 4.11Å; L107-L146 HydrophobicContact CD1-CD2 4.08Å; L107-L146 HydrophobicContact CD1-CG 4.5Å; L107-L147 CarbonylContact C-O 3.46Å; L107-L147 WeakPolarHBondContact CA-O 3.44Å; L107-I148 HydrophobicContact CD2-CG2 3.54Å; L107-P430 WeakPolarHBondContact O-CA 3.32Å; L107-Y431 HydrophobicContact CB-CD1 3.87Å; L107-Y431 HydrophobicContact CB-CE1 4.02Å; L107-Y431 HydrophobicContact CD1-CD1 4.21Å; L107-Y431 HydrophobicContact CD1-CE1 3.77Å; L107-Y431 HydrophobicContact CG-CD1 4.46Å; L107-Y431 HydrophobicContact CG-CE1 4.13Å; L107-Y431 PolarHBondContact O-N 2.97Å
108H96.4Very high96Very high29 Ų2942.2 Ų42.213%0.13422%0.219CC..EExtended strand (participates in β ladder)trans-81.4119.5-177.9-177.286000111.7M106 L146 L147 R149 I428 Q429M106-H108 PolarHBondContact O-N 3.27Å; H108-L146 WeakPolarHBondContact O-CA 3.41Å; H108-L147 PolarHBondContact N-O 3.21Å; H108-L147 PolarHBondContact O-N 2.9Å; H108-R149 HydrophobicContact CB-CB 4.16Å; H108-R149 HydrophobicContact CB-CG 3.47Å; H108-R149 VanDerWaalsContact CB-CG 3.47Å; H108-I428 HydrophobicContact CB-CG2 3.76Å; H108-Q429 CarbonylContact C-O 3.53Å; H108-Q429 WeakPolarHBondContact CA-O 3.31Å; H108-Q429 PolarHBondContact ND1-N 2.79Å
109V96.3Very high95.9Very high17 Ų1745.8 Ų45.810%0.10324%0.241CC..EExtended strand (participates in β ladder)trans-83.8115169.8-171.50000108.7L113 R118 L146 Q429V109-L113 HydrophobicContact CG1-CD2 3.94Å; V109-R118 VanDerWaalsContact CG1-NH1 3.26Å; V109-L146 HydrophobicContact CG2-CD1 3.79Å; V109-Q429 PolarHBondContact N-O 2.89Å
110Q94.9Very high95.7Very high64 Ų6449 Ų4930%0.29926%0.263SS..  trans-58.2141.9179.5-67.8-173-68.400111.7L113 R118 G145 L147Q110-L113 WeakPolarHBondContact O-CB 3.43Å; Q110-L113 PolarHBondContact O-N 3.45Å; Q110-R118 PolarHBondContact O-NH2 3.45Å; Q110-G145 WeakPolarHBondContact CG-O 3.3Å; Q110-G145 PolarHBondContact N-O 3.29Å; Q110-L147 HydrophobicContact CG-CD1 3.82Å; Q110-L147 HydrophobicContact CG-CG 4.21Å
111E89.4Confident95.5Very high126 Ų12649.1 Ų49.159%0.58926%0.264SS*.THydrogen-bonded Turntrans-65-43.8-178.7-65.3-174.8169.900112.2L113 R118E111-L113 PolarHBondContact O-N 3.34Å; E111-L113 VanDerWaalsContact O-N 3.17Å; E111-R118 PolarHBondContact O-NH2 3.3Å; E111-R118 VanDerWaalsContact O-NH2 3.09Å
112N91.3Very high95.4Very high136 Ų13651.5 Ų51.573%0.72728%0.283SS*.THydrogen-bonded Turntrans-78.28.9-178.167.5-25.7000114.5C114N112-C114 PolarHBondContact O-N 3.48Å
113L93Very high95.3Very high23 Ų2354.9 Ų54.912%0.1230%0.303CS..  trans-66.2128.3177.4-169.262000110.7V109 Q110 E111 K117 R118 I121V109-L113 HydrophobicContact CG1-CD2 3.94Å; Q110-L113 WeakPolarHBondContact O-CB 3.43Å; Q110-L113 PolarHBondContact O-N 3.45Å; E111-L113 PolarHBondContact O-N 3.34Å; E111-L113 VanDerWaalsContact O-N 3.17Å; L113-K117 HydrophobicContact CD1-CB 3.85Å; L113-K117 HydrophobicContact CD1-CG 3.51Å; L113-K117 HydrophobicContact CD2-CB 4.48Å; L113-K117 HydrophobicContact CD2-CG 4.17Å; L113-K117 HydrophobicContact CG-CB 4.05Å; L113-K117 HydrophobicContact CG-CG 4.03Å; L113-R118 HydrophobicContact CD2-CB 4.1Å; L113-R118 HydrophobicContact CG-CB 4.4Å; L113-I121 HydrophobicContact CD2-CD1 4.05Å
114C94.6Very high95.2Very high78 Ų7856.2 Ų56.253%0.52731%0.308SS..  trans-62.7148.5179.472.70000112N112 T116 K117 R118N112-C114 PolarHBondContact O-N 3.48Å; C114-T116 VanDerWaalsContact C-N 3.26Å; C114-T116 PolarHBondContact O-N 2.92Å; C114-K117 PolarHBondContact O-N 3.44Å; C114-K117 VanDerWaalsContact SG-CB 3.53Å; C114-R118 PolarHBondContact O-N 2.89Å
115D95Very high95.2Very high124 Ų12456.2 Ų56.266%0.66331%0.308SS*.Hα-helixtrans-57.7-37.4-173-66.1-30.8000113.3R118 T119D115-R118 PolarHBondContact O-N 2.97Å; D115-T119 VanDerWaalsContact O-CB 3.29Å; D115-T119 WeakPolarHBondContact O-CB 3.34Å; D115-T119 PolarHBondContact O-N 3.01Å; D115-T119 PolarHBondContact O-OG1 3.07Å
116T95.4Very high95.1Very high119 Ų11960.1 Ų60.173%0.7333%0.326SS*.Hα-helixtrans-60.5-47.4176.5-52.50000111.4C114 T119 S120C114-T116 VanDerWaalsContact C-N 3.26Å; C114-T116 PolarHBondContact O-N 2.92Å; T116-T119 PolarHBondContact O-N 3.3Å; T116-S120 WeakPolarHBondContact O-CB 3.18Å; T116-S120 PolarHBondContact O-N 3.26Å
117K95Very high95.2Very high44 Ų4460 Ų6019%0.19133%0.327CS..Hα-helixtrans-70.7-42.5-179.2-174.160.5164.5-173.50111.2L113 C114 T119 S120 I121 E141 A142 D144L113-K117 HydrophobicContact CD1-CB 3.85Å; L113-K117 HydrophobicContact CD1-CG 3.51Å; L113-K117 HydrophobicContact CD2-CB 4.48Å; L113-K117 HydrophobicContact CD2-CG 4.17Å; L113-K117 HydrophobicContact CG-CB 4.05Å; L113-K117 HydrophobicContact CG-CG 4.03Å; C114-K117 PolarHBondContact O-N 3.44Å; C114-K117 VanDerWaalsContact SG-CB 3.53Å; K117-T119 VanDerWaalsContact C-N 3.31Å; K117-T119 PolarHBondContact O-N 3.3Å; K117-S120 WeakPolarHBondContact O-CB 3.24Å; K117-S120 PolarHBondContact O-N 3.32Å; K117-I121 HydrophobicContact CD-CD1 4.44Å; K117-I121 HydrophobicContact CG-CD1 4.28Å; K117-I121 WeakPolarHBondContact O-CG1 3.45Å; K117-I121 PolarHBondContact O-N 2.86Å; K117-E141 PolarHBondContact NZ-O 3.48Å; K117-A142 PolarHBondContact NZ-O 3.05Å; K117-D144 WeakPolarHBondContact CE-O 3.45Å
118R95.2Very high95.2Very high85 Ų8560 Ų6032%0.32133%0.327SS..Hα-helixtrans-55.3-46.7173.9-176.3-179.7-65.8-78.5-4.1111.5V109 Q110 E111 L113 C114 D115 A122V109-R118 VanDerWaalsContact CG1-NH1 3.26Å; Q110-R118 PolarHBondContact O-NH2 3.45Å; E111-R118 PolarHBondContact O-NH2 3.3Å; E111-R118 VanDerWaalsContact O-NH2 3.09Å; L113-R118 HydrophobicContact CD2-CB 4.1Å; L113-R118 HydrophobicContact CG-CB 4.4Å; C114-R118 PolarHBondContact O-N 2.89Å; D115-R118 PolarHBondContact O-N 2.97Å; R118-A122 WeakPolarHBondContact O-CB 3.34Å; R118-A122 PolarHBondContact O-N 2.94Å
119T95.6Very high95.3Very high76 Ų7660.8 Ų60.847%0.46633%0.334SS..Hα-helixtrans-66-41.4178.4-57.30000111.8D115 T116 K117 A122 N123D115-T119 VanDerWaalsContact O-CB 3.29Å; D115-T119 WeakPolarHBondContact O-CB 3.34Å; D115-T119 PolarHBondContact O-N 3.01Å; D115-T119 PolarHBondContact O-OG1 3.07Å; T116-T119 PolarHBondContact O-N 3.3Å; K117-T119 VanDerWaalsContact C-N 3.31Å; K117-T119 PolarHBondContact O-N 3.3Å; T119-A122 PolarHBondContact O-N 3.07Å; T119-N123 WeakPolarHBondContact O-CB 3.18Å; T119-N123 VanDerWaalsContact O-CG 3.22Å; T119-N123 PolarHBondContact O-N 3.14Å; T119-N123 PolarHBondContact O-ND2 2.89Å
120S94.8Very high95.3Very high67 Ų6761.7 Ų61.747%0.46934%0.339SS..Hα-helixtrans-58.5-50.7176.6-1750000111.9T116 K117 A122 N123 R124T116-S120 WeakPolarHBondContact O-CB 3.18Å; T116-S120 PolarHBondContact O-N 3.26Å; K117-S120 WeakPolarHBondContact O-CB 3.24Å; K117-S120 PolarHBondContact O-N 3.32Å; S120-A122 PolarHBondContact O-N 3.42Å; S120-N123 PolarHBondContact O-N 2.8Å; S120-R124 WeakPolarHBondContact O-CB 3.44Å; S120-R124 PolarHBondContact O-N 3.04Å
121I95.7Very high95.4Very high6 Ų658.6 Ų58.63%0.03133%0.325CS..Hα-helixtrans-61.7-46.5177.8-66.7175000110.7L113 K117 N123 R124 L125 L146L113-I121 HydrophobicContact CD2-CD1 4.05Å; K117-I121 HydrophobicContact CD-CD1 4.44Å; K117-I121 HydrophobicContact CG-CD1 4.28Å; K117-I121 WeakPolarHBondContact O-CG1 3.45Å; K117-I121 PolarHBondContact O-N 2.86Å; I121-N123 VanDerWaalsContact C-N 3.32Å; I121-N123 PolarHBondContact O-N 3.38Å; I121-R124 PolarHBondContact O-N 3.17Å; I121-L125 HydrophobicContact CG2-CD1 3.76Å; I121-L125 HydrophobicContact CG2-CG 4.4Å; I121-L125 WeakPolarHBondContact O-CB 3.47Å; I121-L125 WeakPolarHBondContact O-CG 3.48Å; I121-L125 PolarHBondContact O-N 3.25Å; I121-L146 HydrophobicContact CD1-CB 4.22Å; I121-L146 HydrophobicContact CG2-CD2 4.12Å
122A95.8Very high95.7Very high49 Ų4953.6 Ų53.641%0.40531%0.305SS..Hα-helixtrans-60.2-41.2179.600000112.4R118 T119 S120 Q126R118-A122 WeakPolarHBondContact O-CB 3.34Å; R118-A122 PolarHBondContact O-N 2.94Å; T119-A122 PolarHBondContact O-N 3.07Å; S120-A122 PolarHBondContact O-N 3.42Å; A122-Q126 WeakPolarHBondContact O-CA 3.43Å; A122-Q126 WeakPolarHBondContact O-CB 3.23Å; A122-Q126 PolarHBondContact O-N 2.87Å
123N95.7Very high95.9Very high87 Ų8756.2 Ų56.247%0.46531%0.305SS..Hα-helixtrans-66.9-43.8176.7-72.7-19.4000111.6T119 S120 I121 L125 Q126 V130T119-N123 WeakPolarHBondContact O-CB 3.18Å; T119-N123 VanDerWaalsContact O-CG 3.22Å; T119-N123 PolarHBondContact O-N 3.14Å; T119-N123 PolarHBondContact O-ND2 2.89Å; S120-N123 PolarHBondContact O-N 2.8Å; I121-N123 VanDerWaalsContact C-N 3.32Å; I121-N123 PolarHBondContact O-N 3.38Å; N123-L125 VanDerWaalsContact C-N 3.3Å; N123-L125 PolarHBondContact O-N 2.87Å; N123-Q126 WeakPolarHBondContact O-CB 3.43Å; N123-Q126 PolarHBondContact O-N 2.94Å; N123-V130 VanDerWaalsContact O-CG1 3.24Å; N123-V130 WeakPolarHBondContact O-CG1 3.28Å
124R95.4Very high96Very high28 Ų2857.6 Ų57.611%0.10632%0.316CS..Hα-helixtrans-63.6-36-179.7-171.269.4-179.195.2-1.9112.4S120 I121 A131 D135 W143 V504S120-R124 WeakPolarHBondContact O-CB 3.44Å; S120-R124 PolarHBondContact O-N 3.04Å; I121-R124 PolarHBondContact O-N 3.17Å; R124-A131 VanDerWaalsContact NH1-CA 3.25Å; R124-A131 PolarHBondContact NH1-O 2.86Å; R124-D135 PolarHBondContact NH2-O 3.19Å; R124-W143 HydrophobicContact CB-CH2 4.34Å; R124-W143 HydrophobicContact CG-CH2 3.54Å; R124-W143 HydrophobicContact CG-CZ2 4.41Å; R124-W143 HydrophobicContact CG-CZ3 4.17Å; R124-V504 PolarHBondContact NH2-OXT 2.7Å
125L97.3Very high96Very high0 Ų060.1 Ų60.10%033%0.325CS..THydrogen-bonded Turntrans-97.53-177.7-59.3-179.7000114.2P33 P35 I121 N123 S127 W143 L146 Y431 F433 V504P33-L125 HydrophobicContact CB-CB 4.46Å; P33-L125 HydrophobicContact CB-CD2 3.79Å; P35-L125 HydrophobicContact CG-CD2 4.3Å; I121-L125 HydrophobicContact CG2-CD1 3.76Å; I121-L125 HydrophobicContact CG2-CG 4.4Å; I121-L125 WeakPolarHBondContact O-CB 3.47Å; I121-L125 WeakPolarHBondContact O-CG 3.48Å; I121-L125 PolarHBondContact O-N 3.25Å; N123-L125 VanDerWaalsContact C-N 3.3Å; N123-L125 PolarHBondContact O-N 2.87Å; L125-S127 VanDerWaalsContact C-N 3.3Å; L125-S127 PolarHBondContact O-N 3.46Å; L125-W143 HydrophobicContact CD1-CZ3 4.25Å; L125-W143 HydrophobicContact CD2-CH2 4.01Å; L125-W143 HydrophobicContact CD2-CZ3 4Å; L125-W143 HydrophobicContact CG-CZ3 4.08Å; L125-L146 HydrophobicContact CD1-CD2 3.89Å; L125-Y431 HydrophobicContact CB-CD2 3.67Å; L125-Y431 HydrophobicContact CB-CE2 3.89Å; L125-Y431 HydrophobicContact CD1-CD1 4.17Å; L125-Y431 HydrophobicContact CD1-CD2 3.7Å; L125-Y431 HydrophobicContact CD1-CE2 4.06Å; L125-Y431 HydrophobicContact CD1-CG 3.76Å; L125-Y431 HydrophobicContact CG-CD2 4.3Å; L125-Y431 HydrophobicContact CG-CE2 4.47Å; L125-F433 WeakPolarHBondContact O-CB 3.26Å; L125-V504 HydrophobicContact CD2-CG2 3.6Å
126Q97.6Very high96Very high81 Ų8156.5 Ų56.538%0.37931%0.305SS..SBendtrans-56.4-41.4-170.6-172.8-178.730.600113.4A122 N123 F433 Q434A122-Q126 WeakPolarHBondContact O-CA 3.43Å; A122-Q126 WeakPolarHBondContact O-CB 3.23Å; A122-Q126 PolarHBondContact O-N 2.87Å; N123-Q126 WeakPolarHBondContact O-CB 3.43Å; N123-Q126 PolarHBondContact O-N 2.94Å; Q126-F433 CarbonylContact O-C 3.54Å; Q126-F433 WeakPolarHBondContact O-CA 3.28Å; Q126-Q434 PolarHBondContact O-N 3.3Å
127S97.8Very high95.9Very high18 Ų1855 Ų5513%0.12629%0.289CS..  trans-163.7162.3176.765.80000110.6P33 L125 V129 V130 A131P33-S127 VanDerWaalsContact CG-C 3.44Å; L125-S127 VanDerWaalsContact C-N 3.3Å; L125-S127 PolarHBondContact O-N 3.46Å; S127-V129 PolarHBondContact O-N 3.37Å; S127-V130 PolarHBondContact O-N 2.89Å; S127-V130 WeakPolarHBondContact OG-CG2 3.44Å; S127-V130 PolarHBondContact OG-N 2.8Å; S127-A131 VanDerWaalsContact O-CB 3.3Å; S127-A131 WeakPolarHBondContact O-CB 3.28Å; S127-A131 PolarHBondContact O-N 2.82Å
128T97.8Very high95.7Very high2 Ų256.8 Ų56.81%0.01230%0.304CS..Hα-helixtrans-56.4-38174.1-34.70000112.4L30 P31 A131 A132 L175 F502L30-T128 HydrophobicContact CB-CG2 4.34Å; P31-T128 HydrophobicContact CG-CG2 4.11Å; P31-T128 WeakPolarHBondContact O-CB 3.4Å; P31-T128 WeakPolarHBondContact O-CG2 3.47Å; P31-T128 PolarHBondContact O-OG1 2.87Å; T128-A131 PolarHBondContact O-N 3.2Å; T128-A132 VanDerWaalsContact O-CB 3.27Å; T128-A132 WeakPolarHBondContact O-CB 3.45Å; T128-A132 PolarHBondContact O-N 3.24Å; T128-L175 HydrophobicContact CG2-CD2 3.93Å; T128-F502 HydrophobicContact CG2-CB 4.08Å; T128-F502 HydrophobicContact CG2-CD1 4.07Å; T128-F502 HydrophobicContact CG2-CD2 3.81Å; T128-F502 HydrophobicContact CG2-CE1 4.44Å; T128-F502 HydrophobicContact CG2-CE2 4.21Å; T128-F502 HydrophobicContact CG2-CG 3.71Å; T128-F502 HydrophobicContact CG2-CZ 4.5Å
129V96.8Very high95.5Very high47 Ų4758.4 Ų58.429%0.28532%0.315SS..Hα-helixtrans-66.7-40.2-179.5176.60000111.4L30 S127 R133 I180L30-V129 HydrophobicContact CD1-CG2 4.17Å; S127-V129 PolarHBondContact O-N 3.37Å; V129-R133 WeakPolarHBondContact O-CG 3.36Å; V129-I180 HydrophobicContact CG2-CD1 4.39Å
130V97Very high95.1Very high35 Ų3560 Ų6021%0.21232%0.321CS..Hα-helixtrans-69.6-45.4174.21740000109.7N123 S127 A132 R133N123-V130 VanDerWaalsContact O-CG1 3.24Å; N123-V130 WeakPolarHBondContact O-CG1 3.28Å; S127-V130 PolarHBondContact O-N 2.89Å; S127-V130 WeakPolarHBondContact OG-CG2 3.44Å; S127-V130 PolarHBondContact OG-N 2.8Å; V130-A132 VanDerWaalsContact C-N 3.27Å; V130-A132 PolarHBondContact O-N 3.42Å; V130-R133 WeakPolarHBondContact O-CB 3.45Å; V130-R133 PolarHBondContact O-N 3.14Å; V130-R133 VanDerWaalsContact O-N 3.1Å
131A97Very high94.9Very high0 Ų062.2 Ų62.20%032%0.324CS..Hα-helixtrans-59.2-35.3-179.500000113.9P33 R124 S127 T128 R133 R187 F502 V504P33-A131 HydrophobicContact CB-CB 4.07Å; P33-A131 HydrophobicContact CG-CB 3.79Å; R124-A131 VanDerWaalsContact NH1-CA 3.25Å; R124-A131 PolarHBondContact NH1-O 2.86Å; S127-A131 VanDerWaalsContact O-CB 3.3Å; S127-A131 WeakPolarHBondContact O-CB 3.28Å; S127-A131 PolarHBondContact O-N 2.82Å; T128-A131 PolarHBondContact O-N 3.2Å; A131-R133 PolarHBondContact O-N 3.25Å; A131-R187 PolarHBondContact O-NH1 2.93Å; A131-F502 HydrophobicContact CB-CD1 4.05Å; A131-F502 HydrophobicContact CB-CE1 4.07Å; A131-V504 HydrophobicContact CB-CG1 3.5Å
132A96.9Very high94.7Very high21 Ų2163.2 Ų63.217%0.17433%0.333CS..THydrogen-bonded Turntrans-70.4-10.8179.200000114.2T128 V130 S134 I180 L184 F502T128-A132 VanDerWaalsContact O-CB 3.27Å; T128-A132 WeakPolarHBondContact O-CB 3.45Å; T128-A132 PolarHBondContact O-N 3.24Å; V130-A132 VanDerWaalsContact C-N 3.27Å; V130-A132 PolarHBondContact O-N 3.42Å; A132-S134 VanDerWaalsContact C-N 3.34Å; A132-I180 HydrophobicContact CB-CG2 4.18Å; A132-L184 HydrophobicContact CB-CD1 3.83Å; A132-F502 HydrophobicContact CB-CE1 4.21Å; A132-F502 HydrophobicContact CB-CZ 3.9Å
133R95.7Very high94.7Very high191 Ų19161.3 Ų61.372%0.72132%0.315SS*.THydrogen-bonded Turntrans-85.2-5.8179.8-62.3172.5-176.1-178.9-1.5114V129 V130 A131V129-R133 WeakPolarHBondContact O-CG 3.36Å; V130-R133 WeakPolarHBondContact O-CB 3.45Å; V130-R133 PolarHBondContact O-N 3.14Å; V130-R133 VanDerWaalsContact O-N 3.1Å; A131-R133 PolarHBondContact O-N 3.25Å
134S93.5Very high94.6Very high51 Ų5161.6 Ų61.636%0.35732%0.317SS..SBendtrans-130.4156.1-176.3-56.90000110.4A132 R187A132-S134 VanDerWaalsContact C-N 3.34Å; S134-R187 VanDerWaalsContact O-CZ 3.29Å; S134-R187 PolarHBondContact O-NH1 2.92Å; S134-R187 PolarHBondContact O-NH2 3Å
135D94.3Very high94.6Very high132 Ų13260.6 Ų60.671%0.70632%0.315SS*.  trans-73.2161.5174-66.9-38.8000112R124 E137 R187R124-D135 PolarHBondContact NH2-O 3.19Å; D135-E137 PolarHBondContact O-N 3.47Å; D135-R187 IonicContact OD1-NH2 2.76Å
136I95.4Very high94.6Very high48 Ų4860.7 Ų60.725%0.24632%0.316CS..  trans-64.5127.2177.7-65177.2000109.1E36 T138 R187 L503 V504E36-I136 HydrophobicContact CB-CG2 4.04Å; I136-T138 HydrophobicContact CG2-CG2 4.18Å; I136-T138 PolarHBondContact O-N 3.17Å; I136-R187 HydrophobicContact CD1-CG 4.24Å; I136-L503 HydrophobicContact CD1-CB 3.99Å; I136-V504 VanDerWaalsContact CA-OXT 3.27Å; I136-V504 WeakPolarHBondContact CA-OXT 3.07Å
137E93.4Very high94.5Very high86 Ų8658.7 Ų58.740%0.40231%0.308SS..  trans-84.4100.4176.1-66.8-67.9174.600109.8D135 A142 W143 V504D135-E137 PolarHBondContact O-N 3.47Å; E137-A142 HydrophobicContact CB-CB 3.91Å; E137-A142 HydrophobicContact CG-CB 4.38Å; E137-W143 HydrophobicContact CB-CZ2 3.91Å; E137-W143 HydrophobicContact CG-CZ2 4.36Å; E137-W143 PolarHBondContact O-NE1 3.26Å; E137-W143 VanDerWaalsContact O-NE1 3.14Å; E137-V504 PolarHBondContact N-OXT 3.19Å
138T90.2Very high94.5Very high83 Ų8358 Ų5851%0.50930%0.303SS..  trans-88.6-7.3-175680000114.1I136I136-T138 HydrophobicContact CG2-CG2 4.18Å; I136-T138 PolarHBondContact O-N 3.17Å
139Q90.9Very high94.5Very high118 Ų11860.6 Ų60.655%0.55131%0.312SS*.  trans-86.9130-179.9-59.3-57.7-48.500109.6E141 A142Q139-E141 PolarHBondContact O-N 3.02Å; Q139-A142 VanDerWaalsContact O-CB 3.24Å; Q139-A142 WeakPolarHBondContact O-CB 3.38Å; Q139-A142 PolarHBondContact O-N 3.07Å; Q139-A142 VanDerWaalsContact O-N 3.08Å
140D87.2Confident94.5Very high109 Ų10958.7 Ų58.758%0.58330%0.3SS*.G310 helixtrans-59.4-35.7-179.1-78.3-20.7000111.3A142 W143 D144D140-A142 PolarHBondContact O-N 3.3Å; D140-A142 VanDerWaalsContact O-N 3.14Å; D140-W143 PolarHBondContact O-N 2.9Å; D140-D144 PolarHBondContact O-N 2.82Å
141E91.4Very high94.4Very high115 Ų11558.2 Ų58.254%0.53730%0.297SS..G310 helixtrans-62.7-23.8-179.6-58.280.2-177.300112.3K117 Q139 W143 D144K117-E141 PolarHBondContact NZ-O 3.48Å; Q139-E141 PolarHBondContact O-N 3.02Å; E141-W143 PolarHBondContact O-N 3Å; E141-D144 PolarHBondContact O-N 2.84Å
142A91.7Very high94.4Very high27 Ų2759.7 Ų59.722%0.22330%0.304CS..G310 helixtrans-62.8-24.9174.700000111.8K117 E137 Q139 D140K117-A142 PolarHBondContact NZ-O 3.05Å; E137-A142 HydrophobicContact CB-CB 3.91Å; E137-A142 HydrophobicContact CG-CB 4.38Å; Q139-A142 VanDerWaalsContact O-CB 3.24Å; Q139-A142 WeakPolarHBondContact O-CB 3.38Å; Q139-A142 PolarHBondContact O-N 3.07Å; Q139-A142 VanDerWaalsContact O-N 3.08Å; D140-A142 PolarHBondContact O-N 3.3Å; D140-A142 VanDerWaalsContact O-N 3.14Å
143W95.4Very high94.4Very high8 Ų858.7 Ų58.73%0.0330%0.295CS..G310 helixtrans-113.98.2-175.4-54.6106.2000114P35 V37 R124 L125 E137 D140 E141 G145 L146 V504P35-W143 HydrophobicContact CB-CD2 3.68Å; P35-W143 HydrophobicContact CB-CE3 4.15Å; P35-W143 HydrophobicContact CB-CG 4.02Å; P35-W143 HydrophobicContact CB-CH2 4.33Å; P35-W143 HydrophobicContact CB-CZ2 3.92Å; P35-W143 HydrophobicContact CB-CZ3 4.46Å; P35-W143 HydrophobicContact CG-CD2 3.6Å; P35-W143 HydrophobicContact CG-CE3 3.51Å; P35-W143 HydrophobicContact CG-CG 4.31Å; P35-W143 HydrophobicContact CG-CH2 3.76Å; P35-W143 HydrophobicContact CG-CZ2 3.87Å; P35-W143 HydrophobicContact CG-CZ3 3.61Å; V37-W143 VanDerWaalsContact CG2-CD1 3.44Å; V37-W143 HydrophobicContact CG2-CG 4.18Å; R124-W143 HydrophobicContact CB-CH2 4.34Å; R124-W143 HydrophobicContact CG-CH2 3.54Å; R124-W143 HydrophobicContact CG-CZ2 4.41Å; R124-W143 HydrophobicContact CG-CZ3 4.17Å; L125-W143 HydrophobicContact CD1-CZ3 4.25Å; L125-W143 HydrophobicContact CD2-CH2 4.01Å; L125-W143 HydrophobicContact CD2-CZ3 4Å; L125-W143 HydrophobicContact CG-CZ3 4.08Å; E137-W143 HydrophobicContact CB-CZ2 3.91Å; E137-W143 HydrophobicContact CG-CZ2 4.36Å; E137-W143 PolarHBondContact O-NE1 3.26Å; E137-W143 VanDerWaalsContact O-NE1 3.14Å; D140-W143 PolarHBondContact O-N 2.9Å; E141-W143 PolarHBondContact O-N 3Å; W143-G145 PolarHBondContact O-N 3.01Å; W143-L146 HydrophobicContact CE3-CD2 4.21Å; W143-L146 WeakPolarHBondContact O-CB 3.38Å; W143-L146 PolarHBondContact O-N 3.44Å; W143-V504 HydrophobicContact CH2-CB 4.33Å; W143-V504 HydrophobicContact CH2-CG2 3.54Å; W143-V504 HydrophobicContact CZ2-CB 4.36Å; W143-V504 HydrophobicContact CZ2-CG2 3.74Å
144D94.4Very high94.4Very high94 Ų9450.2 Ų50.250%0.50327%0.265SS..THydrogen-bonded Turntrans-45.8128.6171.5-78.4-12.5000111.7K117 D140 E141K117-D144 WeakPolarHBondContact CE-O 3.45Å; D140-D144 PolarHBondContact O-N 2.82Å; E141-D144 PolarHBondContact O-N 2.84Å
145G94.8Very high94.6Very high6 Ų647.9 Ų47.96%0.06225%0.248CC..THydrogen-bonded Turntrans95.6-11.2-173.900000115.4Q110 W143Q110-G145 WeakPolarHBondContact CG-O 3.3Å; Q110-G145 PolarHBondContact N-O 3.29Å; W143-G145 PolarHBondContact O-N 3.01Å
146L96.7Very high94.8Very high3 Ų342.3 Ų42.32%0.01622%0.218CC..EExtended strand (participates in β ladder)trans-113.1112177.5-169.367.3000110.2P35 L38 L107 H108 V109 I121 L125 W143P35-L146 HydrophobicContact CG-CD2 4.02Å; L38-L146 HydrophobicContact CD1-CB 4.29Å; L38-L146 HydrophobicContact CD1-CD2 3.8Å; L38-L146 HydrophobicContact CD1-CG 3.81Å; L107-L146 HydrophobicContact CB-CD1 3.83Å; L107-L146 HydrophobicContact CB-CD2 4.47Å; L107-L146 HydrophobicContact CB-CG 4.11Å; L107-L146 HydrophobicContact CD1-CD2 4.08Å; L107-L146 HydrophobicContact CD1-CG 4.5Å; H108-L146 WeakPolarHBondContact O-CA 3.41Å; V109-L146 HydrophobicContact CG2-CD1 3.79Å; I121-L146 HydrophobicContact CD1-CB 4.22Å; I121-L146 HydrophobicContact CG2-CD2 4.12Å; L125-L146 HydrophobicContact CD1-CD2 3.89Å; W143-L146 HydrophobicContact CE3-CD2 4.21Å; W143-L146 WeakPolarHBondContact O-CB 3.38Å; W143-L146 PolarHBondContact O-N 3.44Å
147L96Very high94.8Very high39 Ų3940.5 Ų40.520%0.20421%0.21CC..EExtended strand (participates in β ladder)trans-116.8149.2-172.3-56.8176.6000111.2L107 H108 Q110L107-L147 CarbonylContact C-O 3.46Å; L107-L147 WeakPolarHBondContact CA-O 3.44Å; H108-L147 PolarHBondContact N-O 3.21Å; H108-L147 PolarHBondContact O-N 2.9Å; Q110-L147 HydrophobicContact CG-CD1 3.82Å; Q110-L147 HydrophobicContact CG-CG 4.21Å
148I97.4Very high94.8Very high4 Ų436.5 Ų36.52%0.02119%0.192CC..EExtended strand (participates in β ladder)trans-77124.2164.854.8171.6000109.2L38 R41 A42 I45 Y105 L107 T355L38-I148 HydrophobicContact CB-CG2 4.16Å; R41-I148 HydrophobicContact CB-CD1 4.39Å; R41-I148 HydrophobicContact CG-CD1 3.88Å; A42-I148 HydrophobicContact CB-CD1 4.1Å; I45-I148 HydrophobicContact CD1-CD1 3.92Å; Y105-I148 HydrophobicContact CD1-CB 4.21Å; L107-I148 HydrophobicContact CD2-CG2 3.54Å; I148-T355 HydrophobicContact CD1-CG2 4.01Å; I148-T355 HydrophobicContact CG1-CG2 4.21Å
149R97.9Very high95Very high56 Ų5633.5 Ų33.521%0.21117%0.174CC..EExtended strand (participates in β ladder)trans-118.5128.2170.1-68.1-65.4-172.8-177.8-4.1109.9Y105 M106 H108 V151 S354 T355 F356 I428Y105-R149 CarbonylContact C-O 3.54Å; Y105-R149 VanDerWaalsContact CA-O 3.25Å; Y105-R149 WeakPolarHBondContact CA-O 3.27Å; M106-R149 PolarHBondContact N-O 3.21Å; M106-R149 PolarHBondContact O-N 3.42Å; H108-R149 HydrophobicContact CB-CB 4.16Å; H108-R149 HydrophobicContact CB-CG 3.47Å; H108-R149 VanDerWaalsContact CB-CG 3.47Å; R149-V151 PolarHBondContact O-N 3.23Å; R149-S354 PolarHBondContact NH1-O 2.99Å; R149-S354 VanDerWaalsContact NH1-O 3.11Å; R149-T355 CarbonylContact C-O 3.5Å; R149-T355 WeakPolarHBondContact CA-O 3.49Å; R149-T355 WeakPolarHBondContact CD-O 3.39Å; R149-F356 PolarHBondContact NH1-O 2.95Å; R149-I428 HydrophobicContact CB-CD1 3.64Å; R149-I428 HydrophobicContact CB-CG1 3.74Å; R149-I428 HydrophobicContact CB-CG2 4.13Å
150Q97.6Very high95.3Very high7 Ų728.4 Ų28.43%0.03315%0.151CC..EExtended strand (participates in β ladder)trans-69.4126.2179.5-172.6178.469.100109.4F49 S103 D104 Y105 T355 F356 M425F49-Q150 VanDerWaalsContact CE1-NE2 3.29Å; S103-Q150 PolarHBondContact OG-NE2 3.4Å; D104-Q150 CarbonylContact O-C 3.54Å; D104-Q150 WeakPolarHBondContact O-CA 3.39Å; Y105-Q150 HydrophobicContact CD1-CB 4.03Å; Y105-Q150 HydrophobicContact CE1-CB 3.94Å; Y105-Q150 HydrophobicContact CE1-CG 4.34Å; Q150-T355 PolarHBondContact N-O 3.45Å; Q150-F356 VanDerWaalsContact OE1-CE1 3.29Å; Q150-M425 WeakPolarHBondContact O-CE 3.35Å
151V95.3Very high95.7Very high24 Ų2423.2 Ų23.215%0.14512%0.123CC..EExtended strand (participates in β ladder)trans-76.9-49.3170.9179.80000109.3D104 M106 R149 K391 I428 E455D104-V151 HydrophobicContact CB-CB 4.34Å; D104-V151 PolarHBondContact O-N 2.71Å; M106-V151 HydrophobicContact CB-CG2 4.21Å; M106-V151 HydrophobicContact CE-CG2 4.34Å; M106-V151 HydrophobicContact CG-CG2 3.67Å; M106-V151 HydrophobicContact SD-CG2 4.17Å; R149-V151 PolarHBondContact O-N 3.23Å; V151-K391 PolarHBondContact O-NZ 3.48Å; V151-I428 HydrophobicContact CG2-CD1 3.94Å; V151-E455 HydrophobicContact CG2-CG 4.24Å
152E95.4Very high96Very high31 Ų3117.8 Ų17.815%0.14510%0.098CC..EExtended strand (participates in β ladder)trans-169.7163.3-179.857-174.3-161.900111D104 N154 K326D104-E152 HydrophobicContact CB-CG 4.26Å; D104-E152 PolarHBondContact N-O 2.81Å; E152-N154 PolarHBondContact OE1-ND2 2.95Å; E152-K326 IonicContact OE2-NZ 3.39Å; E152-K326 PolarHBondContact OE2-NZ 2.96Å
153F97Very high96.3Very high0 Ų016.6 Ų16.60%09%0.087CC..EExtended strand (participates in β ladder)trans-107.2139.5163-162-100.5000109.4F49 Y53 N101 M155 N324 Q329F49-F153 HydrophobicContact CB-CD2 4.09Å; F49-F153 HydrophobicContact CB-CE2 3.51Å; F49-F153 HydrophobicContact CB-CZ 4.15Å; F49-F153 HydrophobicContact CD1-CD2 4.32Å; F49-F153 HydrophobicContact CG-CD2 4.26Å; F49-F153 HydrophobicContact CG-CE2 4.16Å; Y53-F153 HydrophobicContact CD1-CD1 4.37Å; Y53-F153 HydrophobicContact CD2-CB 4.34Å; Y53-F153 AromaticContact CD2-CD1 3.28Å; Y53-F153 HydrophobicContact CD2-CD1 3.28Å; Y53-F153 HydrophobicContact CD2-CD2 4.18Å; Y53-F153 AromaticContact CD2-CE1 3.39Å; Y53-F153 HydrophobicContact CD2-CE1 3.39Å; Y53-F153 HydrophobicContact CD2-CE2 4.29Å; Y53-F153 AromaticContact CD2-CG 3.7Å; Y53-F153 HydrophobicContact CD2-CG 3.7Å; Y53-F153 AromaticContact CD2-CZ 3.91Å; Y53-F153 HydrophobicContact CD2-CZ 3.91Å; Y53-F153 HydrophobicContact CE1-CD1 4.38Å; Y53-F153 HydrophobicContact CE2-CB 3.46Å; Y53-F153 VanDerWaalsContact CE2-CB 3.46Å; Y53-F153 AromaticContact CE2-CD1 3.31Å; Y53-F153 HydrophobicContact CE2-CD1 3.31Å; Y53-F153 AromaticContact CE2-CD2 3.86Å; Y53-F153 HydrophobicContact CE2-CD2 3.86Å; Y53-F153 AromaticContact CE2-CE1 3.91Å; Y53-F153 HydrophobicContact CE2-CE1 3.91Å; Y53-F153 HydrophobicContact CE2-CE2 4.41Å; Y53-F153 AromaticContact CE2-CG 3.27Å; Y53-F153 HydrophobicContact CE2-CG 3.27Å; Y53-F153 HydrophobicContact CE2-CZ 4.42Å; Y53-F153 AromaticContact CG-CD1 3.85Å; Y53-F153 HydrophobicContact CG-CD1 3.85Å; Y53-F153 AromaticContact CG-CE1 3.89Å; Y53-F153 HydrophobicContact CG-CE1 3.89Å; Y53-F153 AromaticContact CZ-CD1 3.89Å; Y53-F153 AromaticContact CZ-CG 3.9Å; Y53-F153 WeakPolarHBondContact OH-CB 3.47Å; N101-F153 HydrophobicContact CB-CE1 3.66Å; N101-F153 HydrophobicContact CB-CE2 4.41Å; N101-F153 HydrophobicContact CB-CZ 3.5Å; N101-F153 VanDerWaalsContact CB-CZ 3.5Å; F153-M155 HydrophobicContact CD1-CG 3.66Å; F153-M155 HydrophobicContact CD1-SD 4.28Å; F153-M155 HydrophobicContact CE1-CG 3.6Å; F153-M155 HydrophobicContact CE1-SD 4.19Å; F153-N324 PolarHBondContact O-ND2 3.13Å; F153-Q329 PolarHBondContact O-NE2 2.99Å
154N97.1Very high96.4Very high14 Ų1416.3 Ų16.38%0.0759%0.087CC..EExtended strand (participates in β ladder)trans-120.8128-177.7-77.1-65.8000109.7N101 R102 D104 E152 C158N101-N154 CarbonylContact C-O 3.5Å; N101-N154 WeakPolarHBondContact CA-O 3.49Å; R102-N154 HydrophobicContact CB-CB 4.4Å; R102-N154 PolarHBondContact N-O 2.96Å; R102-N154 PolarHBondContact NH2-ND2 3.25Å; R102-N154 PolarHBondContact O-N 3.18Å; D104-N154 PolarHBondContact OD2-ND2 2.86Å; E152-N154 PolarHBondContact OE1-ND2 2.95Å; N154-C158 PolarHBondContact O-SG 2.92Å
155M97.6Very high96.5Very high2 Ų213.9 Ų13.91%0.017%0.073CC..  trans-118.4-11.6-179.1-63.2-176.879.500114.4Y53 F153 P316 Y320 N324Y53-M155 HydrophobicContact CD1-SD 3.87Å; Y53-M155 HydrophobicContact CG-SD 3.92Å; F153-M155 HydrophobicContact CD1-CG 3.66Å; F153-M155 HydrophobicContact CD1-SD 4.28Å; F153-M155 HydrophobicContact CE1-CG 3.6Å; F153-M155 HydrophobicContact CE1-SD 4.19Å; M155-P316 WeakPolarHBondContact O-CD 3.5Å; M155-P316 VanDerWaalsContact O-CG 3.27Å; M155-P316 WeakPolarHBondContact O-CG 3.45Å; M155-Y320 HydrophobicContact CE-CD1 4.12Å; M155-Y320 HydrophobicContact CE-CD2 3.19Å; M155-Y320 HydrophobicContact CE-CE2 3.75Å; M155-Y320 HydrophobicContact CE-CG 3.37Å; M155-N324 HydrophobicContact CB-CB 4.05Å; M155-N324 HydrophobicContact CG-CB 3.97Å; M155-N324 PolarHBondContact N-OD1 2.86Å; M155-N324 HydrophobicContact SD-CB 3.78Å
156I97.1Very high96.6Very high14 Ų1417.9 Ų17.97%0.0729%0.086CC..SBendtrans-124140.3-178.6-173.2156.8000110.7C158 F286 Y290 P316 M321I156-C158 PolarHBondContact O-N 2.98Å; I156-F286 HydrophobicContact CD1-CB 4.02Å; I156-F286 HydrophobicContact CG1-CB 4.3Å; I156-Y290 HydrophobicContact CG1-CD1 4.19Å; I156-Y290 HydrophobicContact CG2-CD1 4.35Å; I156-Y290 HydrophobicContact CG2-CG 4.11Å; I156-P316 HydrophobicContact CB-CG 3.72Å; I156-P316 HydrophobicContact CD1-CG 4.12Å; I156-P316 HydrophobicContact CG1-CG 4.04Å; I156-M321 HydrophobicContact CD1-CE 3.93Å; I156-M321 HydrophobicContact CD1-CG 4.19Å; I156-M321 HydrophobicContact CD1-SD 3.94Å
157A95.3Very high96.6Very high10 Ų1017.9 Ų17.98%0.0839%0.086CC..SBendtrans50.432.4175.600000114.9S159 F286 R287 Y290A157-S159 PolarHBondContact O-N 3.24Å; A157-S159 PolarHBondContact O-OG 2.79Å; A157-F286 PolarHBondContact N-O 2.88Å; A157-R287 WeakPolarHBondContact CB-O 3.24Å; A157-Y290 HydrophobicContact CB-CD1 3.79Å; A157-Y290 HydrophobicContact CB-CE1 3.49Å; A157-Y290 VanDerWaalsContact CB-CE1 3.49Å
158C95.2Very high96.7Very high3 Ų316.2 Ų16.22%0.028%0.077CC..  trans-51.899.8176.1-70.80000110.4L100 R102 N154 I156 F197L100-C158 PolarHBondContact O-SG 3.13Å; R102-C158 HydrophobicContact CB-CB 4.41Å; N154-C158 PolarHBondContact O-SG 2.92Å; I156-C158 PolarHBondContact O-N 2.98Å; C158-F197 HydrophobicContact CB-CE2 4.49Å
159S93.6Very high96.7Very high20 Ų2018.7 Ų18.714%0.149%0.093CC..THydrogen-bonded Turntrans-84.2162.2-173.6-65.50000111.4R102 A157 R287R102-S159 PolarHBondContact NH1-O 2.66Å; A157-S159 PolarHBondContact O-N 3.24Å; A157-S159 PolarHBondContact O-OG 2.79Å; S159-R287 PolarHBondContact OG-NH2 2.92Å
160F96.2Very high96.7Very high11 Ų1116 Ų165%0.0488%0.083CC..THydrogen-bonded Turntrans74.710.6174.8-51.1-62.2000115.9L25 G162 L163 A164 D237 L478 I491 V492L25-F160 HydrophobicContact CD1-CE1 4.3Å; L25-F160 HydrophobicContact CD2-CD1 4.14Å; L25-F160 HydrophobicContact CD2-CE1 3.71Å; F160-G162 PolarHBondContact O-N 3.1Å; F160-L163 HydrophobicContact CD1-CB 4.45Å; F160-L163 HydrophobicContact CD1-CD1 4.18Å; F160-L163 HydrophobicContact CE1-CD1 4.48Å; F160-L163 PolarHBondContact O-N 3.05Å; F160-A164 WeakPolarHBondContact O-CA 3.27Å; F160-A164 WeakPolarHBondContact O-CB 3.49Å; F160-A164 PolarHBondContact O-N 3.25Å; F160-D237 VanDerWaalsContact CA-CG 3.5Å; F160-D237 WeakPolarHBondContact CA-OD1 3.31Å; F160-D237 PolarHBondContact N-OD1 3.23Å; F160-D237 PolarHBondContact N-OD2 3.26Å; F160-L478 HydrophobicContact CB-CD1 4.01Å; F160-L478 HydrophobicContact CB-CD2 3.95Å; F160-L478 HydrophobicContact CD2-CD2 4.31Å; F160-I491 HydrophobicContact CD2-CD1 3.91Å; F160-I491 HydrophobicContact CE1-CD1 4.33Å; F160-I491 HydrophobicContact CE2-CB 4.09Å; F160-I491 HydrophobicContact CE2-CD1 3.54Å; F160-I491 HydrophobicContact CE2-CG1 4.05Å; F160-I491 HydrophobicContact CG-CD1 4.44Å; F160-I491 HydrophobicContact CZ-CB 3.81Å; F160-I491 HydrophobicContact CZ-CD1 3.77Å; F160-I491 HydrophobicContact CZ-CG1 4.22Å; F160-I491 HydrophobicContact CZ-CG2 4.37Å; F160-V492 HydrophobicContact CE1-CG2 4.49Å; F160-V492 HydrophobicContact CZ-CG2 3.76Å
161C96.7Very high96.7Very high0 Ų015.7 Ų15.70%08%0.082CC..Hα-helixtrans-63.8-33.3170.769.80000111.7S193 A194 F197 D237 F459C161-S193 PolarHBondContact O-OG 3.19Å; C161-A194 PolarHBondContact O-N 2.81Å; C161-F197 HydrophobicContact CB-CD2 3.69Å; C161-F197 HydrophobicContact CB-CE2 3.9Å; C161-F197 HydrophobicContact CB-CG 4.38Å; C161-D237 PolarHBondContact N-OD1 2.65Å; C161-F459 HydrophobicContact CB-CD1 4.44Å; C161-F459 HydrophobicContact CB-CE1 4.02Å; C161-F459 HydrophobicContact CB-CE2 4.36Å; C161-F459 HydrophobicContact CB-CZ 3.99Å
162G97.2Very high96.8Very high1 Ų117.3 Ų17.31%0.019%0.085CC..Hα-helixtrans-70.7-45.7176.300000111.9F160 D237F160-G162 PolarHBondContact O-N 3.1Å; G162-D237 WeakPolarHBondContact CA-OD1 3.48Å; G162-D237 PolarHBondContact N-OD1 3.48Å
163L97.4Very high96.8Very high1 Ų118.1 Ų18.11%0.0059%0.09CC..Hα-helixtrans-82.9-26.8-175.7-59.5-174.8000114G13 L25 F160 Q165 R166 I167 D237 L498G13-L163 WeakPolarHBondContact O-CD2 3.46Å; L25-L163 HydrophobicContact CD2-CD1 3.52Å; F160-L163 HydrophobicContact CD1-CB 4.45Å; F160-L163 HydrophobicContact CD1-CD1 4.18Å; F160-L163 HydrophobicContact CE1-CD1 4.48Å; F160-L163 PolarHBondContact O-N 3.05Å; L163-Q165 PolarHBondContact O-N 3.44Å; L163-R166 PolarHBondContact O-N 3.4Å; L163-I167 PolarHBondContact O-N 3.16Å; L163-D237 HydrophobicContact CD1-CB 4.12Å; L163-D237 HydrophobicContact CG-CB 3.92Å; L163-D237 PolarHBondContact N-OD1 3.2Å; L163-L498 HydrophobicContact CB-CD2 3.87Å
164A97.7Very high96.8Very high3 Ų318.1 Ų18.13%0.0259%0.09CC..Hα-helixtrans-61.3-31.5175.300000112.3F160 I167 F459 H477 L478F160-A164 WeakPolarHBondContact O-CA 3.27Å; F160-A164 WeakPolarHBondContact O-CB 3.49Å; F160-A164 PolarHBondContact O-N 3.25Å; A164-I167 VanDerWaalsContact O-CG2 3.3Å; A164-I167 WeakPolarHBondContact O-CG2 3.46Å; A164-F459 HydrophobicContact CB-CE2 4.07Å; A164-H477 WeakPolarHBondContact CB-O 3.41Å; A164-L478 HydrophobicContact CB-CB 4.16Å; A164-L478 HydrophobicContact CB-CD1 4Å
165Q97.3Very high96.8Very high43 Ų4317.5 Ų17.520%0.2019%0.087CC..Hα-helixtrans-72.7-34.5171.9175.7159.2-18.900112.5L163 C191 F192 A194 D195L163-Q165 PolarHBondContact O-N 3.44Å; Q165-C191 WeakPolarHBondContact CB-O 3.21Å; Q165-C191 WeakPolarHBondContact CG-O 3.43Å; Q165-F192 VanDerWaalsContact OE1-C 3.28Å; Q165-A194 HydrophobicContact CB-CB 4.49Å; Q165-A194 VanDerWaalsContact OE1-N 3.15Å; Q165-D195 PolarHBondContact NE2-OD2 3Å; Q165-D195 PolarHBondContact OE1-OD2 2.8Å
166R97Very high96.7Very high90 Ų9020.2 Ų20.234%0.3411%0.106SC..Hα-helixtrans-78.8-24.1-177.7-67.3178.4176-163-1.9113.9N12 I14 L163 V168 P169N12-R166 WeakPolarHBondContact O-CD 3.41Å; I14-R166 HydrophobicContact CD1-CB 3.6Å; L163-R166 PolarHBondContact O-N 3.4Å; R166-V168 VanDerWaalsContact C-N 3.31Å; R166-V168 PolarHBondContact O-N 3Å; R166-P169 VanDerWaalsContact O-CD 3.32Å; R166-P169 WeakPolarHBondContact O-CD 3.4Å; R166-P169 WeakPolarHBondContact O-CG 3.3Å
167I97.6Very high96.5Very high2 Ų222.5 Ų22.51%0.0112%0.118CC..Hα-helixtrans-72.8-24.2179.9-166.666.9000112.7I14 C27 L163 A164 Q170 H171 L498I14-I167 HydrophobicContact CD1-CB 4.33Å; I14-I167 HydrophobicContact CD1-CD1 4.34Å; I14-I167 HydrophobicContact CG1-CD1 4.42Å; C27-I167 HydrophobicContact CB-CD1 3.75Å; L163-I167 PolarHBondContact O-N 3.16Å; A164-I167 VanDerWaalsContact O-CG2 3.3Å; A164-I167 WeakPolarHBondContact O-CG2 3.46Å; I167-Q170 HydrophobicContact CD1-CB 4.11Å; I167-Q170 HydrophobicContact CD1-CG 3.97Å; I167-Q170 WeakPolarHBondContact O-CB 3.13Å; I167-Q170 PolarHBondContact O-N 3.44Å; I167-H171 PolarHBondContact O-N 3Å; I167-L498 HydrophobicContact CB-CD2 3.8Å; I167-L498 HydrophobicContact CB-CG 4.07Å; I167-L498 HydrophobicContact CD1-CD2 4.18Å; I167-L498 HydrophobicContact CD1-CG 4.35Å; I167-L498 HydrophobicContact CG1-CD2 4.15Å; I167-L498 HydrophobicContact CG1-CG 4.08Å; I167-L498 HydrophobicContact CG2-CD2 4.3Å; I167-L498 HydrophobicContact CG2-CG 4.25Å
168V97.8Very high96.5Very high5 Ų525.4 Ų25.43%0.0313%0.13CC..Hα-helixtrans-56.8-57.5178.7174.20000112.6R166 Q170 H171 R172 V188 C191R166-V168 VanDerWaalsContact C-N 3.31Å; R166-V168 PolarHBondContact O-N 3Å; V168-Q170 VanDerWaalsContact C-N 3.29Å; V168-Q170 PolarHBondContact O-N 2.76Å; V168-H171 PolarHBondContact O-N 2.84Å; V168-R172 WeakPolarHBondContact O-CG 3.45Å; V168-R172 PolarHBondContact O-N 3.36Å; V168-R172 VanDerWaalsContact O-N 3.09Å; V168-V188 HydrophobicContact CG1-CG1 4.16Å; V168-C191 HydrophobicContact CG2-CB 3.86Å
169P96.6Very high96.5Very high55 Ų5528.5 Ų28.536%0.35716%0.162SC..Hα-helixtrans-63.4-35.3176.624.1-34.3000112.4R166 H171 R172 I173R166-P169 VanDerWaalsContact O-CD 3.32Å; R166-P169 WeakPolarHBondContact O-CD 3.4Å; R166-P169 WeakPolarHBondContact O-CG 3.3Å; P169-H171 VanDerWaalsContact C-N 3.32Å; P169-H171 PolarHBondContact O-N 3.23Å; P169-R172 PolarHBondContact O-N 3.19Å; P169-I173 WeakPolarHBondContact O-CD1 3.36Å; P169-I173 VanDerWaalsContact O-CG1 3.25Å; P169-I173 WeakPolarHBondContact O-CG1 3.17Å; P169-I173 PolarHBondContact O-N 3.48Å
170Q97.3Very high96.5Very high0 Ų028.5 Ų28.50%016%0.161CC..Hα-helixtrans-57.1-46.1175.3174.760.927.600111.6A5 F8 A9 N12 I167 V168 I173 S174A5-Q170 PolarHBondContact O-NE2 3.49Å; F8-Q170 PolarHBondContact O-OE1 3.06Å; A9-Q170 HydrophobicContact CB-CG 4.49Å; N12-Q170 PolarHBondContact ND2-OE1 3.19Å; I167-Q170 HydrophobicContact CD1-CB 4.11Å; I167-Q170 HydrophobicContact CD1-CG 3.97Å; I167-Q170 WeakPolarHBondContact O-CB 3.13Å; I167-Q170 PolarHBondContact O-N 3.44Å; V168-Q170 VanDerWaalsContact C-N 3.29Å; V168-Q170 PolarHBondContact O-N 2.76Å; Q170-I173 WeakPolarHBondContact O-CB 3.46Å; Q170-I173 PolarHBondContact O-N 2.93Å; Q170-S174 PolarHBondContact O-N 2.82Å; Q170-S174 PolarHBondContact O-OG 3.21Å
171H98Very high96.3Very high0 Ų030.8 Ų30.80%018%0.178CC..Hα-helixtrans-71.4-36.5179.7-79.7-175.6000113.5T28 P31 I167 V168 P169 I173 S174 L175 V188 D499 S500T28-H171 PolarHBondContact O-NE2 2.79Å; T28-H171 PolarHBondContact OG1-CE1 2.88Å; T28-H171 PolarHBondContact OG1-NE2 3.05Å; P31-H171 WeakPolarHBondContact CA-ND1 3.4Å; P31-H171 HydrophobicContact CB-CB 4.06Å; P31-H171 HydrophobicContact CG-CB 4.18Å; I167-H171 PolarHBondContact O-N 3Å; V168-H171 PolarHBondContact O-N 2.84Å; P169-H171 VanDerWaalsContact C-N 3.32Å; P169-H171 PolarHBondContact O-N 3.23Å; H171-I173 VanDerWaalsContact C-N 3.3Å; H171-I173 PolarHBondContact O-N 3.16Å; H171-S174 PolarHBondContact O-N 3.36Å; H171-L175 WeakPolarHBondContact O-CG 3.24Å; H171-L175 PolarHBondContact O-N 2.75Å; H171-V188 HydrophobicContact CB-CG1 4.39Å; H171-D499 IonicContact CE1-OD1 3Å; H171-D499 PolarHBondContact CE1-OD1 3.43Å; H171-D499 IonicContact ND1-OD1 3.28Å; H171-S500 PolarHBondContact CE1-N 3.21Å; H171-S500 VanDerWaalsContact CE1-N 3.35Å; H171-S500 PolarHBondContact ND1-N 2.76Å; H171-S500 PolarHBondContact ND1-OG 3.4Å
172R97.7Very high95.8Very high59 Ų5934.3 Ų34.322%0.22320%0.202CC..Hα-helixtrans-61.3-38.7171.3-68.5173.8176.1160.23.1111.9V168 P169 S176 N185 V188 D190V168-R172 WeakPolarHBondContact O-CG 3.45Å; V168-R172 PolarHBondContact O-N 3.36Å; V168-R172 VanDerWaalsContact O-N 3.09Å; P169-R172 PolarHBondContact O-N 3.19Å; R172-S176 PolarHBondContact O-N 3.29Å; R172-S176 PolarHBondContact O-OG 3.15Å; R172-N185 HydrophobicContact CB-CB 4.4Å; R172-N185 HydrophobicContact CG-CB 4.02Å; R172-N185 PolarHBondContact NE-O 3.11Å; R172-N185 VanDerWaalsContact NE-O 3.08Å; R172-N185 PolarHBondContact O-OD1 3.44Å; R172-V188 HydrophobicContact CG-CB 4.08Å; R172-V188 HydrophobicContact CG-CG2 4.3Å; R172-V188 PolarHBondContact NE-O 3.31Å; R172-V188 PolarHBondContact NH2-O 3.31Å; R172-D190 IonicContact CZ-OD1 2.71Å; R172-D190 VanDerWaalsContact CZ-OD1 3.28Å; R172-D190 IonicContact NH1-OD1 3.28Å; R172-D190 PolarHBondContact NH1-OD1 3.16Å; R172-D190 IonicContact NH2-OD1 3.71Å; R172-D190 PolarHBondContact NH2-OD1 3.33Å
173I96Very high95.6Very high47 Ų4740.2 Ų40.224%0.24123%0.234CC..Hα-helixtrans-64.4-47.4172.2-68162.7000110.3F8 P169 Q170 H171 L175 S176 L177F8-I173 HydrophobicContact CB-CG2 4.48Å; F8-I173 HydrophobicContact CD1-CD1 4.14Å; F8-I173 HydrophobicContact CD1-CG2 4.47Å; F8-I173 HydrophobicContact CD2-CG2 3.64Å; F8-I173 HydrophobicContact CE2-CG2 3.87Å; F8-I173 HydrophobicContact CG-CD1 4.45Å; F8-I173 HydrophobicContact CG-CG2 3.97Å; F8-I173 HydrophobicContact CZ-CG2 4.4Å; P169-I173 WeakPolarHBondContact O-CD1 3.36Å; P169-I173 VanDerWaalsContact O-CG1 3.25Å; P169-I173 WeakPolarHBondContact O-CG1 3.17Å; P169-I173 PolarHBondContact O-N 3.48Å; Q170-I173 WeakPolarHBondContact O-CB 3.46Å; Q170-I173 PolarHBondContact O-N 2.93Å; H171-I173 VanDerWaalsContact C-N 3.3Å; H171-I173 PolarHBondContact O-N 3.16Å; I173-L175 VanDerWaalsContact C-N 3.35Å; I173-L175 PolarHBondContact O-N 2.88Å; I173-S176 WeakPolarHBondContact O-CB 3.14Å; I173-S176 PolarHBondContact O-N 3.23Å; I173-S176 VanDerWaalsContact O-N 3.15Å; I173-L177 HydrophobicContact CG2-CD1 3.88Å; I173-L177 HydrophobicContact CG2-CG 4.16Å; I173-L177 WeakPolarHBondContact O-CG 3.49Å; I173-L177 PolarHBondContact O-N 3.17Å
174S95.7Very high95.4Very high1 Ų141.7 Ų41.71%0.00724%0.242CC..Hα-helixtrans-59.5-41.3178.2-700000113.2L29 Q170 H171 S176 L177 H178L29-S174 WeakPolarHBondContact O-CB 2.87Å; L29-S174 PolarHBondContact O-OG 3.49Å; Q170-S174 PolarHBondContact O-N 2.82Å; Q170-S174 PolarHBondContact O-OG 3.21Å; H171-S174 PolarHBondContact O-N 3.36Å; S174-S176 VanDerWaalsContact C-N 3.31Å; S174-S176 PolarHBondContact O-N 2.96Å; S174-L177 PolarHBondContact O-N 2.98Å; S174-H178 VanDerWaalsContact O-CB 3.29Å; S174-H178 WeakPolarHBondContact O-CB 3.29Å; S174-H178 PolarHBondContact O-N 3.4Å
175L97.4Very high95.3Very high0 Ų043.3 Ų43.30%025%0.25CC..Hα-helixtrans-56.7-47.4173.9-72.2174.4000110.9L30 P31 T128 H171 I173 H178 G179 I180 V188 F502L30-L175 HydrophobicContact CD2-CD2 4.31Å; P31-L175 HydrophobicContact CG-CD1 4.05Å; P31-L175 HydrophobicContact CG-CD2 3.91Å; P31-L175 HydrophobicContact CG-CG 4.02Å; T128-L175 HydrophobicContact CG2-CD2 3.93Å; H171-L175 WeakPolarHBondContact O-CG 3.24Å; H171-L175 PolarHBondContact O-N 2.75Å; I173-L175 VanDerWaalsContact C-N 3.35Å; I173-L175 PolarHBondContact O-N 2.88Å; L175-H178 WeakPolarHBondContact O-CB 3.25Å; L175-H178 PolarHBondContact O-N 3.29Å; L175-G179 PolarHBondContact O-N 2.97Å; L175-I180 HydrophobicContact CB-CB 4.3Å; L175-I180 HydrophobicContact CD2-CB 4.22Å; L175-I180 HydrophobicContact CD2-CD1 3.54Å; L175-I180 HydrophobicContact CD2-CG1 4.46Å; L175-I180 HydrophobicContact CD2-CG2 4.16Å; L175-I180 PolarHBondContact O-N 2.9Å; L175-V188 HydrophobicContact CD1-CG2 3.63Å; L175-F502 HydrophobicContact CD1-CD2 4.22Å; L175-F502 HydrophobicContact CD1-CE2 4.07Å; L175-F502 HydrophobicContact CD2-CD2 4.37Å; L175-F502 HydrophobicContact CD2-CE2 4.2Å
176S95.4Very high95.2Very high59 Ų5946.9 Ų46.941%0.41327%0.27SS..Hα-helixtrans-64.5-45.1179.7-550000111.8R172 I173 S174 H178 G179R172-S176 PolarHBondContact O-N 3.29Å; R172-S176 PolarHBondContact O-OG 3.15Å; I173-S176 WeakPolarHBondContact O-CB 3.14Å; I173-S176 PolarHBondContact O-N 3.23Å; I173-S176 VanDerWaalsContact O-N 3.15Å; S174-S176 VanDerWaalsContact C-N 3.31Å; S174-S176 PolarHBondContact O-N 2.96Å; S176-H178 PolarHBondContact O-N 3.1Å; S176-G179 PolarHBondContact O-N 3.22Å
177L94.1Very high95.2Very high62 Ų6243.3 Ų43.333%0.32526%0.257SS..Hα-helixtrans-63.1-28.2175.6-71.2177.5000112.5M1 V4 A5 F8 I173 S174 G179M1-L177 WeakPolarHBondContact CE-O 3.35Å; M1-L177 HydrophobicContact CG-CB 3.9Å; V4-L177 HydrophobicContact CB-CD1 4.49Å; V4-L177 HydrophobicContact CG1-CD1 4.05Å; V4-L177 HydrophobicContact CG1-CD2 4.34Å; A5-L177 HydrophobicContact CB-CD1 4.24Å; F8-L177 HydrophobicContact CD2-CD1 4.08Å; F8-L177 HydrophobicContact CE2-CD1 4.23Å; I173-L177 HydrophobicContact CG2-CD1 3.88Å; I173-L177 HydrophobicContact CG2-CG 4.16Å; I173-L177 WeakPolarHBondContact O-CG 3.49Å; I173-L177 PolarHBondContact O-N 3.17Å; S174-L177 PolarHBondContact O-N 2.98Å; L177-G179 VanDerWaalsContact C-N 3.31Å
178H94Very high95.2Very high72 Ų7243.2 Ų43.233%0.33326%0.256SS..Hα-helixtrans-79.4-12.2175.2-162.6-67.4000113.3M1 L30 S174 L175 S176M1-H178 HydrophobicContact CE-CB 4.15Å; M1-H178 HydrophobicContact SD-CB 4.07Å; L30-H178 HydrophobicContact CD2-CB 4.02Å; S174-H178 VanDerWaalsContact O-CB 3.29Å; S174-H178 WeakPolarHBondContact O-CB 3.29Å; S174-H178 PolarHBondContact O-N 3.4Å; L175-H178 WeakPolarHBondContact O-CB 3.25Å; L175-H178 PolarHBondContact O-N 3.29Å; S176-H178 PolarHBondContact O-N 3.1Å
179G95Very high95.2Very high68 Ų6843.9 Ų43.970%0.70126%0.261SS*.THydrogen-bonded Turntrans81.417.4-17600000113.9L175 S176 L177L175-G179 PolarHBondContact O-N 2.97Å; S176-G179 PolarHBondContact O-N 3.22Å; L177-G179 VanDerWaalsContact C-N 3.31Å
180I94.4Very high95.3Very high20 Ų2045.5 Ų45.510%0.10327%0.266CS..  trans-76.9136.8166.9-64.4169.6000107.8L30 V129 A132 L175 S182 L184L30-I180 HydrophobicContact CD1-CD1 4.46Å; V129-I180 HydrophobicContact CG2-CD1 4.39Å; A132-I180 HydrophobicContact CB-CG2 4.18Å; L175-I180 HydrophobicContact CB-CB 4.3Å; L175-I180 HydrophobicContact CD2-CB 4.22Å; L175-I180 HydrophobicContact CD2-CD1 3.54Å; L175-I180 HydrophobicContact CD2-CG1 4.46Å; L175-I180 HydrophobicContact CD2-CG2 4.16Å; L175-I180 PolarHBondContact O-N 2.9Å; I180-S182 PolarHBondContact O-N 2.91Å; I180-L184 HydrophobicContact CG2-CB 4.38Å; I180-L184 HydrophobicContact CG2-CD1 3.84Å
181S91.3Very high95.3Very high58 Ų5845.8 Ų45.841%0.40627%0.268SS..  trans-53.8135.3-175.1-179.90000111.8D183 L184S181-D183 PolarHBondContact O-N 3.26Å; S181-D183 PolarHBondContact OG-N 3.29Å; S181-D183 PolarHBondContact OG-OD2 2.98Å; S181-L184 WeakPolarHBondContact O-CB 3.26Å; S181-L184 PolarHBondContact O-N 3.17Å
182S87.6Confident95.3Very high74 Ų7450.8 Ų50.852%0.51729%0.29SS..G310 helixtrans-60.2-22.9174.851.20000113I180 L184 N185I180-S182 PolarHBondContact O-N 2.91Å; S182-L184 PolarHBondContact O-N 3.5Å; S182-N185 VanDerWaalsContact O-CB 3.24Å; S182-N185 WeakPolarHBondContact O-CB 3.12Å; S182-N185 VanDerWaalsContact O-CG 3.29Å; S182-N185 PolarHBondContact O-N 3.34Å; S182-N185 VanDerWaalsContact O-N 3.08Å; S182-N185 PolarHBondContact O-ND2 3.01Å
183D91.4Very high95.3Very high126 Ų12648 Ų4867%0.67428%0.28SS*.G310 helixtrans-64.9-18.6176-58.5-28.5000112.2S181 N186S181-D183 PolarHBondContact O-N 3.26Å; S181-D183 PolarHBondContact OG-N 3.29Å; S181-D183 PolarHBondContact OG-OD2 2.98Å; D183-N186 PolarHBondContact O-OD1 2.79Å; D183-N186 VanDerWaalsContact O-OD1 3.05Å
184L94.6Very high95.4Very high32 Ų3245.8 Ų45.817%0.16827%0.268CS..G310 helixtrans-91.71177.3-53.6-176.8000113A132 I180 S181 S182 N186 R187 F502A132-L184 HydrophobicContact CB-CD1 3.83Å; I180-L184 HydrophobicContact CG2-CB 4.38Å; I180-L184 HydrophobicContact CG2-CD1 3.84Å; S181-L184 WeakPolarHBondContact O-CB 3.26Å; S181-L184 PolarHBondContact O-N 3.17Å; S182-L184 PolarHBondContact O-N 3.5Å; L184-N186 PolarHBondContact O-N 3.03Å; L184-R187 VanDerWaalsContact O-CB 3.28Å; L184-R187 WeakPolarHBondContact O-CB 2.97Å; L184-R187 PolarHBondContact O-N 3.47Å; L184-F502 HydrophobicContact CB-CE2 4.4Å; L184-F502 HydrophobicContact CB-CZ 4.37Å; L184-F502 HydrophobicContact CD1-CZ 4.48Å
185N94.5Very high95.5Very high37 Ų3747.6 Ų47.620%0.19828%0.278CS..G310 helixtrans-61.7-27.4178.4-78.6-20.9000112.9R172 S182 R187 V188R172-N185 HydrophobicContact CB-CB 4.4Å; R172-N185 HydrophobicContact CG-CB 4.02Å; R172-N185 PolarHBondContact NE-O 3.11Å; R172-N185 VanDerWaalsContact NE-O 3.08Å; R172-N185 PolarHBondContact O-OD1 3.44Å; S182-N185 VanDerWaalsContact O-CB 3.24Å; S182-N185 WeakPolarHBondContact O-CB 3.12Å; S182-N185 VanDerWaalsContact O-CG 3.29Å; S182-N185 PolarHBondContact O-N 3.34Å; S182-N185 VanDerWaalsContact O-N 3.08Å; S182-N185 PolarHBondContact O-ND2 3.01Å; N185-R187 PolarHBondContact O-N 3.26Å; N185-V188 PolarHBondContact O-N 3Å; N185-V188 VanDerWaalsContact O-N 3.13Å
186N95.1Very high95.6Very high117 Ų11752.5 Ų52.563%0.62630%0.297SS*.G310 helixtrans-69-19.4174.864.8-12.2000113.1D183 L184 V188D183-N186 PolarHBondContact O-OD1 2.79Å; D183-N186 VanDerWaalsContact O-OD1 3.05Å; L184-N186 PolarHBondContact O-N 3.03Å; N186-V188 PolarHBondContact O-N 3.39Å
187R97.6Very high95.7Very high16 Ų1649.7 Ų49.76%0.0628%0.277CS..G310 helixtrans-71.4-11.8170.7-56.5-165179.4-1767.4112.2A131 S134 D135 I136 L184 N185 P189 F502 L503A131-R187 PolarHBondContact O-NH1 2.93Å; S134-R187 VanDerWaalsContact O-CZ 3.29Å; S134-R187 PolarHBondContact O-NH1 2.92Å; S134-R187 PolarHBondContact O-NH2 3Å; D135-R187 IonicContact OD1-NH2 2.76Å; I136-R187 HydrophobicContact CD1-CG 4.24Å; L184-R187 VanDerWaalsContact O-CB 3.28Å; L184-R187 WeakPolarHBondContact O-CB 2.97Å; L184-R187 PolarHBondContact O-N 3.47Å; N185-R187 PolarHBondContact O-N 3.26Å; R187-P189 WeakPolarHBondContact O-CD 3.31Å; R187-F502 HydrophobicContact CB-CD2 3.97Å; R187-F502 HydrophobicContact CB-CE1 4.44Å; R187-F502 HydrophobicContact CB-CE2 3.76Å; R187-F502 HydrophobicContact CB-CG 4.41Å; R187-F502 HydrophobicContact CB-CZ 4.03Å; R187-F502 HydrophobicContact CG-CZ 4.37Å; R187-F502 CarbonylContact O-C 3.5Å; R187-F502 WeakPolarHBondContact O-CA 3.46Å; R187-L503 HydrophobicContact CB-CB 4.38Å; R187-L503 WeakPolarHBondContact CD-O 3.42Å; R187-L503 WeakPolarHBondContact O-CG 3.29Å; R187-L503 PolarHBondContact O-N 2.93Å
188V98.4Very high95.9Very high0 Ų046.8 Ų46.80%026%0.261CS..SBendtrans-90.7103.9161.8-171.30000106.8P31 V168 H171 R172 L175 N185 N186 S500 P501 F502P31-V188 HydrophobicContact CB-CG2 3.98Å; P31-V188 HydrophobicContact CG-CG2 3.66Å; V168-V188 HydrophobicContact CG1-CG1 4.16Å; H171-V188 HydrophobicContact CB-CG1 4.39Å; R172-V188 HydrophobicContact CG-CB 4.08Å; R172-V188 HydrophobicContact CG-CG2 4.3Å; R172-V188 PolarHBondContact NE-O 3.31Å; R172-V188 PolarHBondContact NH2-O 3.31Å; L175-V188 HydrophobicContact CD1-CG2 3.63Å; N185-V188 PolarHBondContact O-N 3Å; N185-V188 VanDerWaalsContact O-N 3.13Å; N186-V188 PolarHBondContact O-N 3.39Å; V188-S500 VanDerWaalsContact CG1-OG 3.25Å; V188-S500 WeakPolarHBondContact CG1-OG 3.34Å; V188-P501 WeakPolarHBondContact CA-O 3.24Å; V188-F502 HydrophobicContact CG2-CD2 4.33Å
189P97.9Very high96.2Very high19 Ų1946.2 Ų46.212%0.12326%0.259CS..  trans-67.3148.8-173.326.2-31.4000111.1L39 R187 P501 L503L39-P189 HydrophobicContact CD2-CG 4.1Å; R187-P189 WeakPolarHBondContact O-CD 3.31Å; P189-P501 WeakPolarHBondContact CD-O 3.4Å; P189-P501 HydrophobicContact CG-CB 3.99Å; P189-P501 HydrophobicContact CG-CG 4.07Å; P189-L503 HydrophobicContact CB-CD1 4.2Å; P189-L503 HydrophobicContact CG-CD1 4.36Å; P189-L503 HydrophobicContact CG-CD2 4.23Å; P189-L503 HydrophobicContact CG-CG 4.31Å
190D97.8Very high96.3Very high89 Ų8943 Ų4348%0.47623%0.226SC..  trans-65.2145.6173.5-68.2-41.5000111.2R172 F192 H477R172-D190 IonicContact CZ-OD1 2.71Å; R172-D190 VanDerWaalsContact CZ-OD1 3.28Å; R172-D190 IonicContact NH1-OD1 3.28Å; R172-D190 PolarHBondContact NH1-OD1 3.16Å; R172-D190 IonicContact NH2-OD1 3.71Å; R172-D190 PolarHBondContact NH2-OD1 3.33Å; D190-F192 HydrophobicContact CB-CD2 4.42Å; D190-F192 HydrophobicContact CB-CE2 3.6Å; D190-F192 HydrophobicContact CB-CZ 3.78Å; D190-H477 PolarHBondContact O-CE1 3.19Å
191C98Very high96.5Very high6 Ų642 Ų424%0.04122%0.221CC..  trans-128.9120.9176.3-1790000109.7Q165 V168 S193 H477Q165-C191 WeakPolarHBondContact CB-O 3.21Å; Q165-C191 WeakPolarHBondContact CG-O 3.43Å; V168-C191 HydrophobicContact CG2-CB 3.86Å; C191-S193 PolarHBondContact SG-OG 2.95Å; C191-H477 PolarHBondContact SG-O 2.92Å
192F97.5Very high96.9Very high105 Ų10540.6 Ų40.646%0.46121%0.209SC..  trans-111.632.3-178.4-60.2-73.1000111.9Q165 D190 A194 D195 R196Q165-F192 VanDerWaalsContact OE1-C 3.28Å; D190-F192 HydrophobicContact CB-CD2 4.42Å; D190-F192 HydrophobicContact CB-CE2 3.6Å; D190-F192 HydrophobicContact CB-CZ 3.78Å; F192-A194 PolarHBondContact O-N 3.1Å; F192-D195 HydrophobicContact CB-CB 4.29Å; F192-D195 PolarHBondContact O-N 2.9Å; F192-R196 HydrophobicContact CB-CG 4.36Å; F192-R196 VanDerWaalsContact O-CG 3.28Å; F192-R196 WeakPolarHBondContact O-CG 3.32Å; F192-R196 PolarHBondContact O-N 3.15Å
193S98.2Very high97.4Very high0 Ų039.3 Ų39.30%020%0.199CC..Hα-helixtrans-68.1-34.5-170.1480000114.4C161 C191 F197 S475C161-S193 PolarHBondContact O-OG 3.19Å; C191-S193 PolarHBondContact SG-OG 2.95Å; S193-F197 WeakPolarHBondContact O-CB 3.44Å; S193-F197 PolarHBondContact O-N 3.27Å; S193-F197 VanDerWaalsContact O-N 3.14Å; S193-S475 WeakPolarHBondContact CA-O 3.24Å; S193-S475 VanDerWaalsContact CB-O 3.23Å; S193-S475 WeakPolarHBondContact CB-O 3.48Å
194A98.1Very high97.7Very high1 Ų133.3 Ų33.31%0.00817%0.167CC..Hα-helixtrans-68.6-42173.100000111.2C161 Q165 F192 S198 L241 C244C161-A194 PolarHBondContact O-N 2.81Å; Q165-A194 HydrophobicContact CB-CB 4.49Å; Q165-A194 VanDerWaalsContact OE1-N 3.15Å; F192-A194 PolarHBondContact O-N 3.1Å; A194-S198 VanDerWaalsContact O-CB 3.26Å; A194-S198 WeakPolarHBondContact O-CB 3.47Å; A194-S198 PolarHBondContact O-N 3.02Å; A194-S198 PolarHBondContact O-OG 3.17Å; A194-L241 WeakPolarHBondContact O-CD1 3.46Å; A194-C244 HydrophobicContact CB-CB 4.29Å
195D98.3Very high97.9Very high38 Ų3831.9 Ų31.920%0.20316%0.16CC..Hα-helixtrans-60.5-50.6177.6-79.7-79.5000112.2Q165 F192 S198 E199 K248Q165-D195 PolarHBondContact NE2-OD2 3Å; Q165-D195 PolarHBondContact OE1-OD2 2.8Å; F192-D195 HydrophobicContact CB-CB 4.29Å; F192-D195 PolarHBondContact O-N 2.9Å; D195-S198 WeakPolarHBondContact O-CB 3.26Å; D195-S198 PolarHBondContact O-N 3.42Å; D195-E199 WeakPolarHBondContact O-CG 3.31Å; D195-E199 PolarHBondContact O-N 3.02Å; D195-K248 WeakPolarHBondContact OD1-CE 3.39Å; D195-K248 IonicContact OD1-NZ 3.79Å; D195-K248 PolarHBondContact OD1-NZ 3.46Å
196R98.4Very high98Very high104 Ų10435.8 Ų35.839%0.39218%0.177SC..Hα-helixtrans-68.5-42.4-176.6-64.3-62.1-176.1-178.37.8112.6F192 S198 E199 A200F192-R196 HydrophobicContact CB-CG 4.36Å; F192-R196 VanDerWaalsContact O-CG 3.28Å; F192-R196 WeakPolarHBondContact O-CG 3.32Å; F192-R196 PolarHBondContact O-N 3.15Å; R196-S198 VanDerWaalsContact C-N 3.29Å; R196-S198 PolarHBondContact O-N 2.81Å; R196-E199 IonicContact NH1-OE2 3.13Å; R196-E199 PolarHBondContact NH1-OE2 3.01Å; R196-E199 VanDerWaalsContact NH1-OE2 3.14Å; R196-E199 PolarHBondContact O-N 3.35Å; R196-A200 PolarHBondContact O-N 2.98Å
197F98.5Very high98.2Very high0 Ų031.6 Ų31.60%015%0.154CC..Hα-helixtrans-64.4-35.2173.3-83.618.7000112L100 C158 C161 S193 A200 L201 L241 F459L100-F197 HydrophobicContact CB-CD2 4.04Å; L100-F197 HydrophobicContact CB-CE1 4.28Å; L100-F197 HydrophobicContact CB-CE2 3.71Å; L100-F197 HydrophobicContact CB-CG 4.49Å; L100-F197 HydrophobicContact CB-CZ 3.82Å; L100-F197 HydrophobicContact CD1-CB 4.38Å; L100-F197 HydrophobicContact CD1-CD2 3.99Å; L100-F197 HydrophobicContact CD1-CE2 4.49Å; L100-F197 HydrophobicContact CD1-CG 4.21Å; L100-F197 HydrophobicContact CD2-CB 4.36Å; L100-F197 HydrophobicContact CD2-CD1 3.83Å; L100-F197 HydrophobicContact CD2-CD2 4.31Å; L100-F197 HydrophobicContact CD2-CE1 4.1Å; L100-F197 HydrophobicContact CD2-CG 3.93Å; L100-F197 HydrophobicContact CD2-CZ 4.48Å; L100-F197 HydrophobicContact CG-CD2 4.34Å; L100-F197 HydrophobicContact CG-CE2 4.48Å; L100-F197 HydrophobicContact CG-CG 4.44Å; C158-F197 HydrophobicContact CB-CE2 4.49Å; C161-F197 HydrophobicContact CB-CD2 3.69Å; C161-F197 HydrophobicContact CB-CE2 3.9Å; C161-F197 HydrophobicContact CB-CG 4.38Å; S193-F197 WeakPolarHBondContact O-CB 3.44Å; S193-F197 PolarHBondContact O-N 3.27Å; S193-F197 VanDerWaalsContact O-N 3.14Å; F197-A200 PolarHBondContact O-N 3.38Å; F197-L201 WeakPolarHBondContact O-CG 3.35Å; F197-L201 PolarHBondContact O-N 3.49Å; F197-L241 HydrophobicContact CB-CD1 3.61Å; F197-F459 HydrophobicContact CE1-CB 3.9Å; F197-F459 HydrophobicContact CE1-CD1 4.44Å; F197-F459 HydrophobicContact CE1-CG 4.5Å; F197-F459 HydrophobicContact CE2-CD1 4.02Å; F197-F459 HydrophobicContact CE2-CE1 4.5Å; F197-F459 HydrophobicContact CZ-CB 3.92Å; F197-F459 AromaticContact CZ-CD1 3.64Å; F197-F459 HydrophobicContact CZ-CD1 3.64Å; F197-F459 HydrophobicContact CZ-CG 4.12Å
198S98.4Very high98.2Very high0 Ų030.9 Ų30.90%015%0.151CC..Hα-helixtrans-64.2-44.5173.9-60.90000111.6A194 D195 R196 A200 L201 L202 L241 C244 L245A194-S198 VanDerWaalsContact O-CB 3.26Å; A194-S198 WeakPolarHBondContact O-CB 3.47Å; A194-S198 PolarHBondContact O-N 3.02Å; A194-S198 PolarHBondContact O-OG 3.17Å; D195-S198 WeakPolarHBondContact O-CB 3.26Å; D195-S198 PolarHBondContact O-N 3.42Å; R196-S198 VanDerWaalsContact C-N 3.29Å; R196-S198 PolarHBondContact O-N 2.81Å; S198-A200 PolarHBondContact O-N 2.92Å; S198-L201 PolarHBondContact O-N 3.27Å; S198-L202 WeakPolarHBondContact O-CB 3.49Å; S198-L202 VanDerWaalsContact O-CG 3.29Å; S198-L202 WeakPolarHBondContact O-CG 3.48Å; S198-L202 PolarHBondContact O-N 2.89Å; S198-L241 WeakPolarHBondContact OG-CD1 3.49Å; S198-L241 PolarHBondContact OG-O 3.2Å; S198-C244 WeakPolarHBondContact OG-CB 3.35Å; S198-L245 PolarHBondContact OG-N 3.27Å
199E98.3Very high98.2Very high61 Ų6132.8 Ų32.829%0.28516%0.163SC..Hα-helixtrans-61.2-42.1176.1-74.9163.6-165.200111.7D195 R196 L202 S203 K248D195-E199 WeakPolarHBondContact O-CG 3.31Å; D195-E199 PolarHBondContact O-N 3.02Å; R196-E199 IonicContact NH1-OE2 3.13Å; R196-E199 PolarHBondContact NH1-OE2 3.01Å; R196-E199 VanDerWaalsContact NH1-OE2 3.14Å; R196-E199 PolarHBondContact O-N 3.35Å; E199-L202 PolarHBondContact O-N 3.34Å; E199-S203 WeakPolarHBondContact O-CB 3.29Å; E199-S203 PolarHBondContact O-N 3.29Å; E199-S203 PolarHBondContact O-OG 2.63Å; E199-K248 HydrophobicContact CG-CD 4.06Å; E199-K248 IonicContact OE1-NZ 3.74Å; E199-K248 PolarHBondContact OE1-NZ 2.94Å
200A98.7Very high98.1Very high0 Ų038 Ų380%018%0.183CC..Hα-helixtrans-64.3-42.7175.600000112.8L98 L100 R196 F197 S198 S203 A204 A461 L471L98-A200 HydrophobicContact CD1-CB 4.15Å; L100-A200 HydrophobicContact CD2-CB 3.83Å; R196-A200 PolarHBondContact O-N 2.98Å; F197-A200 PolarHBondContact O-N 3.38Å; S198-A200 PolarHBondContact O-N 2.92Å; A200-S203 PolarHBondContact O-N 2.91Å; A200-A204 PolarHBondContact O-N 3.43Å; A200-A461 HydrophobicContact CB-CB 3.78Å; A200-L471 HydrophobicContact CB-CD2 4.29Å
201L98.7Very high98Very high0 Ų034.2 Ų34.20%016%0.163CC..Hα-helixtrans-62.3-42.8174.8-77.2166.8000112.3L98 L100 F197 S198 S203 A204 C205 I224 L241 L245 V283 Y285L98-L201 HydrophobicContact CD2-CD2 3.77Å; L98-L201 HydrophobicContact CD2-CG 4.39Å; L100-L201 HydrophobicContact CD1-CD1 4.35Å; L100-L201 HydrophobicContact CD1-CD2 4.17Å; L100-L201 HydrophobicContact CD1-CG 4.05Å; F197-L201 WeakPolarHBondContact O-CG 3.35Å; F197-L201 PolarHBondContact O-N 3.49Å; S198-L201 PolarHBondContact O-N 3.27Å; L201-S203 VanDerWaalsContact C-N 3.35Å; L201-A204 PolarHBondContact O-N 2.74Å; L201-C205 PolarHBondContact O-N 2.87Å; L201-C205 PolarHBondContact O-SG 2.98Å; L201-I224 HydrophobicContact CB-CD1 4.2Å; L201-L241 HydrophobicContact CD1-CD2 4.29Å; L201-L245 HydrophobicContact CB-CD1 3.73Å; L201-L245 HydrophobicContact CD1-CD1 3.89Å; L201-L245 HydrophobicContact CG-CD1 4.46Å; L201-V283 HydrophobicContact CD2-CG1 4.06Å; L201-Y285 HydrophobicContact CD2-CG 4.45Å
202L98.4Very high98Very high28 Ų2833.9 Ų33.915%0.14716%0.161CC..Hα-helixtrans-68.1-35.5176.3-68.6175.3000111.8S198 E199 C205 H206 L245 K248 N249 V252S198-L202 WeakPolarHBondContact O-CB 3.49Å; S198-L202 VanDerWaalsContact O-CG 3.29Å; S198-L202 WeakPolarHBondContact O-CG 3.48Å; S198-L202 PolarHBondContact O-N 2.89Å; E199-L202 PolarHBondContact O-N 3.34Å; L202-C205 WeakPolarHBondContact O-CB 3.42Å; L202-C205 PolarHBondContact O-N 3.04Å; L202-H206 PolarHBondContact O-N 3.22Å; L202-L245 HydrophobicContact CD1-CG 4.34Å; L202-L245 HydrophobicContact CD2-CD1 4.28Å; L202-L245 HydrophobicContact CD2-CD2 3.94Å; L202-L245 HydrophobicContact CD2-CG 3.89Å; L202-L245 HydrophobicContact CG-CD1 4.28Å; L202-L245 HydrophobicContact CG-CG 3.98Å; L202-K248 HydrophobicContact CD1-CB 3.89Å; L202-N249 HydrophobicContact CD1-CB 3.92Å; L202-N249 HydrophobicContact CD2-CB 3.74Å; L202-V252 HydrophobicContact CD2-CB 4.41Å; L202-V252 HydrophobicContact CD2-CG2 3.84Å
203S98.4Very high98Very high46 Ų4632.2 Ų32.232%0.32216%0.163SC..Hα-helixtrans-65.4-40.3174.6-59.20000111.3E199 A200 L201 H206 M207E199-S203 WeakPolarHBondContact O-CB 3.29Å; E199-S203 PolarHBondContact O-N 3.29Å; E199-S203 PolarHBondContact O-OG 2.63Å; A200-S203 PolarHBondContact O-N 2.91Å; L201-S203 VanDerWaalsContact C-N 3.35Å; S203-H206 PolarHBondContact O-N 3.07Å; S203-M207 WeakPolarHBondContact O-CG 3.29Å; S203-M207 PolarHBondContact O-N 3.1Å
204A98.6Very high97.8Very high0 Ų040 Ų400%019%0.192CC..Hα-helixtrans-62.4-43.717200000111.8L98 A200 L201 H206 M207 Y208 V283 I313 L463L98-A204 HydrophobicContact CB-CB 4.47Å; L98-A204 HydrophobicContact CD2-CB 3.91Å; A200-A204 PolarHBondContact O-N 3.43Å; L201-A204 PolarHBondContact O-N 2.74Å; A204-H206 VanDerWaalsContact C-N 3.29Å; A204-H206 PolarHBondContact O-N 3.48Å; A204-M207 PolarHBondContact O-N 3.14Å; A204-M207 VanDerWaalsContact O-N 3.17Å; A204-Y208 PolarHBondContact O-N 3.37Å; A204-V283 HydrophobicContact CB-CG2 3.75Å; A204-I313 HydrophobicContact CB-CD1 4.3Å; A204-I313 HydrophobicContact CB-CG2 4.26Å; A204-I313 VanDerWaalsContact O-CD1 3.28Å; A204-I313 WeakPolarHBondContact O-CD1 3.24Å; A204-L463 HydrophobicContact CB-CD1 3.9Å; A204-L463 HydrophobicContact CB-CD2 4.46Å
205C98.4Very high97.7Very high3 Ų343.2 Ų43.22%0.0220%0.204CC..Hα-helixtrans-55.5-44.5173.3-71.40000112.1L201 L202 Y208 V209 I222 I224L201-C205 PolarHBondContact O-N 2.87Å; L201-C205 PolarHBondContact O-SG 2.98Å; L202-C205 WeakPolarHBondContact O-CB 3.42Å; L202-C205 PolarHBondContact O-N 3.04Å; C205-Y208 PolarHBondContact O-N 3.33Å; C205-V209 WeakPolarHBondContact O-CG2 3.35Å; C205-V209 PolarHBondContact O-N 2.86Å; C205-I222 HydrophobicContact CB-CD1 3.6Å; C205-I224 VanDerWaalsContact SG-CG1 3.53Å
206H97.3Very high97.6Very high119 Ų11948.7 Ų48.755%0.55123%0.233SC*.Hα-helixtrans-64.9-42.5176.6-179.262.2000112.5L202 S203 A204 Y208 V209 K210L202-H206 PolarHBondContact O-N 3.22Å; S203-H206 PolarHBondContact O-N 3.07Å; A204-H206 VanDerWaalsContact C-N 3.29Å; A204-H206 PolarHBondContact O-N 3.48Å; H206-Y208 PolarHBondContact O-N 3.45Å; H206-V209 PolarHBondContact O-N 3.29Å; H206-K210 PolarHBondContact O-N 3.14Å
207M97.7Very high97.5Very high29 Ų2945 Ų4514%0.14322%0.221CC..Hα-helixtrans-63.4-39.3176.5-74.4-60.8100.500112.6I96 S203 A204 V209 K210 D211 I313 L463I96-M207 HydrophobicContact CD1-CB 4.16Å; S203-M207 WeakPolarHBondContact O-CG 3.29Å; S203-M207 PolarHBondContact O-N 3.1Å; A204-M207 PolarHBondContact O-N 3.14Å; A204-M207 VanDerWaalsContact O-N 3.17Å; M207-V209 PolarHBondContact O-N 2.94Å; M207-K210 HydrophobicContact CE-CD 3.93Å; M207-K210 PolarHBondContact O-N 3.03Å; M207-K210 HydrophobicContact SD-CD 4.45Å; M207-D211 WeakPolarHBondContact O-CB 3.48Å; M207-D211 PolarHBondContact O-N 3.38Å; M207-I313 HydrophobicContact CB-CD1 4.14Å; M207-L463 HydrophobicContact CB-CD2 4.41Å; M207-L463 HydrophobicContact CG-CD2 3.7Å
208Y98.1Very high97.3Very high0 Ų052.1 Ų52.10%026%0.258CS..Hα-helixtrans-58.8-46.5173.4171.8-94.3000112A204 C205 H206 K210 D211 C212 T219 I222 E280 A282 L311A204-Y208 PolarHBondContact O-N 3.37Å; C205-Y208 PolarHBondContact O-N 3.33Å; H206-Y208 PolarHBondContact O-N 3.45Å; Y208-K210 VanDerWaalsContact C-N 3.33Å; Y208-K210 PolarHBondContact O-N 3.45Å; Y208-D211 PolarHBondContact O-N 3.1Å; Y208-C212 WeakPolarHBondContact O-CB 3.3Å; Y208-C212 PolarHBondContact O-N 3.34Å; Y208-C212 PolarHBondContact O-SG 2.96Å; Y208-C212 VanDerWaalsContact O-SG 3.4Å; Y208-T219 HydrophobicContact CE1-CG2 3.97Å; Y208-I222 HydrophobicContact CD1-CG2 4.29Å; Y208-I222 HydrophobicContact CE1-CG2 4.17Å; Y208-E280 HydrophobicContact CE1-CG 4.48Å; Y208-E280 PolarHBondContact OH-OE1 2.94Å; Y208-A282 HydrophobicContact CD1-CB 3.32Å; Y208-A282 HydrophobicContact CD2-CB 4.41Å; Y208-A282 HydrophobicContact CE1-CB 3.91Å; Y208-A282 HydrophobicContact CG-CB 3.61Å; Y208-L311 VanDerWaalsContact CD2-O 3.31Å; Y208-L311 WeakPolarHBondContact CD2-O 3.14Å; Y208-L311 HydrophobicContact CE2-CB 4.18Å; Y208-L311 VanDerWaalsContact CE2-O 3.27Å; Y208-L311 WeakPolarHBondContact CE2-O 3.3Å
209V97.5Very high97Very high41 Ų4153.5 Ų53.525%0.24827%0.266CS..Hα-helixtrans-63-40.7178.3170.30000111.3C205 H206 M207 C212 S213 I222C205-V209 WeakPolarHBondContact O-CG2 3.35Å; C205-V209 PolarHBondContact O-N 2.86Å; H206-V209 PolarHBondContact O-N 3.29Å; M207-V209 PolarHBondContact O-N 2.94Å; V209-C212 PolarHBondContact O-N 3.19Å; V209-S213 WeakPolarHBondContact O-CB 3.5Å; V209-S213 PolarHBondContact O-N 2.86Å; V209-S213 PolarHBondContact O-OG 3.49Å; V209-I222 HydrophobicContact CG2-CD1 3.86Å; V209-I222 HydrophobicContact CG2-CG2 4.11Å
210K96.7Very high96.5Very high128 Ų12855.2 Ų55.256%0.55729%0.285SS*.Hα-helixtrans-64.4-43.4176.1-172.5-177.4177-1720111.6H206 M207 Y208 S213 R214H206-K210 PolarHBondContact O-N 3.14Å; M207-K210 HydrophobicContact CE-CD 3.93Å; M207-K210 PolarHBondContact O-N 3.03Å; M207-K210 HydrophobicContact SD-CD 4.45Å; Y208-K210 VanDerWaalsContact C-N 3.33Å; Y208-K210 PolarHBondContact O-N 3.45Å; K210-S213 PolarHBondContact O-N 2.89Å; K210-R214 PolarHBondContact O-N 2.99Å
211D96.4Very high96.2Very high9 Ų961.5 Ų61.55%0.04832%0.318CS..Hα-helixtrans-64.4-43.7176.7-174.250.7000111.7Q94 I96 M207 Y208 S213 R214 R215Q94-D211 PolarHBondContact NE2-OD2 3.39Å; Q94-D211 VanDerWaalsContact NE2-OD2 3.17Å; I96-D211 HydrophobicContact CD1-CB 4.2Å; M207-D211 WeakPolarHBondContact O-CB 3.48Å; M207-D211 PolarHBondContact O-N 3.38Å; Y208-D211 PolarHBondContact O-N 3.1Å; D211-S213 VanDerWaalsContact C-N 3.35Å; D211-S213 PolarHBondContact O-N 2.89Å; D211-R214 WeakPolarHBondContact O-CB 3.3Å; D211-R214 PolarHBondContact O-N 2.97Å; D211-R214 IonicContact OD1-CZ 2.68Å; D211-R214 IonicContact OD1-NE 2.8Å; D211-R214 PolarHBondContact OD1-NE 3.01Å; D211-R214 IonicContact OD1-NH2 2.78Å; D211-R214 PolarHBondContact OD1-NH2 2.88Å; D211-R215 VanDerWaalsContact O-CG 3.31Å; D211-R215 WeakPolarHBondContact O-CG 3.38Å; D211-R215 PolarHBondContact O-N 3.4Å; D211-R215 VanDerWaalsContact O-N 3.07Å; D211-R215 IonicContact OD1-CZ 2.9Å; D211-R215 IonicContact OD1-NE 3.75Å; D211-R215 PolarHBondContact OD1-NE 3.2Å; D211-R215 IonicContact OD1-NH2 3.17Å; D211-R215 IonicContact OD2-CZ 3.83Å; D211-R215 IonicContact OD2-NE 3.95Å; D211-R215 PolarHBondContact OD2-NE 3.42Å; D211-R215 IonicContact OD2-NH2 2.85Å; D211-R215 PolarHBondContact OD2-NH2 2.88Å
212C97Very high96Very high0 Ų062.5 Ų62.50%032%0.323CS..Hα-helixtrans-59.7-44.7173.6-74.80000111.8Y208 V209 R214 R215 N216 L217 T219Y208-C212 WeakPolarHBondContact O-CB 3.3Å; Y208-C212 PolarHBondContact O-N 3.34Å; Y208-C212 PolarHBondContact O-SG 2.96Å; Y208-C212 VanDerWaalsContact O-SG 3.4Å; V209-C212 PolarHBondContact O-N 3.19Å; C212-R214 VanDerWaalsContact C-N 3.34Å; C212-R214 PolarHBondContact O-N 3.17Å; C212-R215 CarbonylContact O-C 3.53Å; C212-R215 WeakPolarHBondContact O-CA 3.49Å; C212-R215 WeakPolarHBondContact O-CB 3.41Å; C212-R215 PolarHBondContact O-N 3.15Å; C212-N216 PolarHBondContact O-N 3.27Å; C212-L217 CarbonylContact C-O 3.6Å; C212-L217 HydrophobicContact CB-CB 4.08Å; C212-L217 WeakPolarHBondContact O-CB 3.43Å; C212-L217 PolarHBondContact O-N 3.43Å; C212-T219 HydrophobicContact CB-CG2 3.53Å
213S97Very high96Very high70 Ų7061.2 Ų61.249%0.4932%0.317SS..Hα-helixtrans-60.6-42.1177-58.10000111.9V209 K210 D211 R215 N216V209-S213 WeakPolarHBondContact O-CB 3.5Å; V209-S213 PolarHBondContact O-N 2.86Å; V209-S213 PolarHBondContact O-OG 3.49Å; K210-S213 PolarHBondContact O-N 2.89Å; D211-S213 VanDerWaalsContact C-N 3.35Å; D211-S213 PolarHBondContact O-N 2.89Å; S213-R215 PolarHBondContact O-N 3.19Å; S213-N216 PolarHBondContact O-N 3.43Å
214R95.5Very high96Very high162 Ų16259 Ų5961%0.61130%0.302SS*.Hα-helixtrans-61-30.6174.5-176.3-173.665.885.8-4.3112.4K210 D211 C212 N216K210-R214 PolarHBondContact O-N 2.99Å; D211-R214 WeakPolarHBondContact O-CB 3.3Å; D211-R214 PolarHBondContact O-N 2.97Å; D211-R214 IonicContact OD1-CZ 2.68Å; D211-R214 IonicContact OD1-NE 2.8Å; D211-R214 PolarHBondContact OD1-NE 3.01Å; D211-R214 IonicContact OD1-NH2 2.78Å; D211-R214 PolarHBondContact OD1-NH2 2.88Å; C212-R214 VanDerWaalsContact C-N 3.34Å; C212-R214 PolarHBondContact O-N 3.17Å; R214-N216 VanDerWaalsContact C-N 3.29Å
215R95Very high96Very high70 Ų7059 Ų5926%0.26430%0.302SS..THydrogen-bonded Turntrans-85.77175-62.8170.6-169.2-104.97.9113.3T93 D211 C212 S213 L217T93-R215 PolarHBondContact O-NH2 3.23Å; D211-R215 VanDerWaalsContact O-CG 3.31Å; D211-R215 WeakPolarHBondContact O-CG 3.38Å; D211-R215 PolarHBondContact O-N 3.4Å; D211-R215 VanDerWaalsContact O-N 3.07Å; D211-R215 IonicContact OD1-CZ 2.9Å; D211-R215 IonicContact OD1-NE 3.75Å; D211-R215 PolarHBondContact OD1-NE 3.2Å; D211-R215 IonicContact OD1-NH2 3.17Å; D211-R215 IonicContact OD2-CZ 3.83Å; D211-R215 IonicContact OD2-NE 3.95Å; D211-R215 PolarHBondContact OD2-NE 3.42Å; D211-R215 IonicContact OD2-NH2 2.85Å; D211-R215 PolarHBondContact OD2-NH2 2.88Å; C212-R215 CarbonylContact O-C 3.53Å; C212-R215 WeakPolarHBondContact O-CA 3.49Å; C212-R215 WeakPolarHBondContact O-CB 3.41Å; C212-R215 PolarHBondContact O-N 3.15Å; S213-R215 PolarHBondContact O-N 3.19Å; R215-L217 HydrophobicContact CB-CD1 3.98Å; R215-L217 HydrophobicContact CB-CG 3.99Å; R215-L217 PolarHBondContact O-N 3.23Å
216N96.4Very high96Very high153 Ų15359 Ų5982%0.81830%0.301SS*.THydrogen-bonded Turntrans58.630.1-173.4-56.2-60.6000113.9C212 S213 R214C212-N216 PolarHBondContact O-N 3.27Å; S213-N216 PolarHBondContact O-N 3.43Å; R214-N216 VanDerWaalsContact C-N 3.29Å
217L96.4Very high96.1Very high25 Ų2553.3 Ų53.313%0.13128%0.275CS..PPolyproline II helixtrans-99.4127175.9-57.9174.2000109.6C212 R215 N271 R273 L311C212-L217 CarbonylContact C-O 3.6Å; C212-L217 HydrophobicContact CB-CB 4.08Å; C212-L217 WeakPolarHBondContact O-CB 3.43Å; C212-L217 PolarHBondContact O-N 3.43Å; R215-L217 HydrophobicContact CB-CD1 3.98Å; R215-L217 HydrophobicContact CB-CG 3.99Å; R215-L217 PolarHBondContact O-N 3.23Å; L217-N271 HydrophobicContact CD1-CB 4.05Å; L217-N271 HydrophobicContact CD2-CB 4.18Å; L217-R273 HydrophobicContact CD1-CG 4.32Å; L217-L311 HydrophobicContact CD1-CD1 3.96Å
218I94.5Very high96Very high151 Ų15153 Ų5377%0.77427%0.274SS*.PPolyproline II helixtrans-84.8120.4176.9-59.1173.2000108.5R273I218-R273 PolarHBondContact O-NH1 3.35Å; I218-R273 VanDerWaalsContact O-NH1 3.16Å
219T92.6Very high95.8Very high29 Ų2954.1 Ų54.118%0.17829%0.286CS..PPolyproline II helixtrans-97.5152.9170.956.60000109.5Y208 C212Y208-T219 HydrophobicContact CE1-CG2 3.97Å; C212-T219 HydrophobicContact CB-CG2 3.53Å
220S86.3Confident95.4Very high97 Ų9758 Ų5868%0.67831%0.306SS*.  trans-121.1-112.7176.362.60000110.5I222S220-I222 PolarHBondContact O-N 3.27Å
221N92.5Very high94.9Very high131 Ų13159 Ų5970%0.70132%0.317SS*.SBendtrans-82116.6171-67.9-23.1000109.1
222I95.5Very high94.6Very high22 Ų2260.7 Ų60.711%0.11332%0.324CS..EExtended strand (participates in β ladder)trans-94.1149.317657.7166.4000111.6C205 Y208 V209 S220 N253 E280 A282C205-I222 HydrophobicContact CB-CD1 3.6Å; Y208-I222 HydrophobicContact CD1-CG2 4.29Å; Y208-I222 HydrophobicContact CE1-CG2 4.17Å; V209-I222 HydrophobicContact CG2-CD1 3.86Å; V209-I222 HydrophobicContact CG2-CG2 4.11Å; S220-I222 PolarHBondContact O-N 3.27Å; I222-N253 PolarHBondContact O-N 2.91Å; I222-E280 CarbonylContact C-O 3.51Å; I222-E280 WeakPolarHBondContact CA-O 3.39Å; I222-A282 HydrophobicContact CB-CB 3.85Å; I222-A282 HydrophobicContact CD1-CB 3.88Å; I222-A282 HydrophobicContact CG1-CB 4.42Å; I222-A282 HydrophobicContact CG2-CB 4.16Å
223S98.4Very high94.2Very high1 Ų166.3 Ų66.31%0.00735%0.349CS..EExtended strand (participates in β ladder)trans-119.7150.8177.9-54.40000111.8N253 E280 V281 A282S223-N253 CarbonylContact C-O 3.56Å; S223-N253 VanDerWaalsContact CA-O 3.24Å; S223-N253 WeakPolarHBondContact CA-O 3.49Å; S223-N253 PolarHBondContact OG-ND2 2.95Å; S223-E280 WeakPolarHBondContact CB-O 3Å; S223-E280 PolarHBondContact N-O 3.26Å; S223-V281 CarbonylContact O-C 3.53Å; S223-V281 WeakPolarHBondContact O-CA 2.89Å; S223-A282 PolarHBondContact O-N 3.08Å
224I98.7Very high93.9Very high0 Ų063.7 Ų63.70%033%0.329CS..EExtended strand (participates in β ladder)trans-97.2120.8161.9-58.5176.5000107.1L201 C205 V226 L245 V252 N253 V254 L255 V283L201-I224 HydrophobicContact CB-CD1 4.2Å; C205-I224 VanDerWaalsContact SG-CG1 3.53Å; I224-V226 HydrophobicContact CG2-CG2 4.34Å; I224-L245 HydrophobicContact CD1-CD1 3.51Å; I224-L245 HydrophobicContact CD1-CD2 4.3Å; I224-V252 HydrophobicContact CD1-CG1 3.87Å; I224-V252 HydrophobicContact CG1-CG1 3.85Å; I224-N253 PolarHBondContact N-O 3.11Å; I224-V254 WeakPolarHBondContact O-CA 3.49Å; I224-L255 PolarHBondContact O-N 3.24Å; I224-V283 CarbonylContact C-O 3.47Å; I224-V283 WeakPolarHBondContact CA-O 3.34Å; I224-V283 HydrophobicContact CG1-CB 4.32Å; I224-V283 HydrophobicContact CG2-CB 4.32Å; I224-V283 HydrophobicContact CG2-CG1 4.46Å
225L98.8Very high93.9Very high0 Ų058.5 Ų58.50%031%0.313CS..EExtended strand (participates in β ladder)trans-90.7111.7172.1175.665.2000109.5V227 L255 H257 L262 L274 V276 V281 V283 V284 Y285 L307L225-V227 HydrophobicContact CD2-CG2 4.15Å; L225-V227 HydrophobicContact CG-CG2 4.1Å; L225-L255 HydrophobicContact CD1-CB 3.9Å; L225-H257 HydrophobicContact CD1-CB 4.25Å; L225-L262 HydrophobicContact CD1-CD2 4.28Å; L225-L262 HydrophobicContact CD2-CD1 4.06Å; L225-L262 HydrophobicContact CD2-CD2 4.06Å; L225-L274 HydrophobicContact CD2-CD2 4.45Å; L225-V276 HydrophobicContact CD1-CG2 4.47Å; L225-V276 HydrophobicContact CD2-CG2 3.96Å; L225-V281 HydrophobicContact CB-CG1 3.62Å; L225-V281 HydrophobicContact CB-CG2 4.18Å; L225-V283 PolarHBondContact N-O 2.79Å; L225-V284 HydrophobicContact CD2-CG1 4.44Å; L225-V284 HydrophobicContact CD2-CG2 4.43Å; L225-V284 CarbonylContact O-C 3.42Å; L225-V284 WeakPolarHBondContact O-CA 3.43Å; L225-Y285 PolarHBondContact O-N 3.07Å; L225-L307 HydrophobicContact CD2-CD2 3.94Å
226V98.4Very high94Very high1 Ų157.9 Ų57.91%0.00631%0.311CS..EExtended strand (participates in β ladder)trans-91.1108.5171-169.60000108.6I224 V228 I242 V254 L255 Y256 H257 Y285 R287I224-V226 HydrophobicContact CG2-CG2 4.34Å; V226-V228 HydrophobicContact CG1-CG1 3.84Å; V226-V228 PolarHBondContact O-N 2.57Å; V226-I242 HydrophobicContact CG2-CD1 4.47Å; V226-V254 HydrophobicContact CG2-CG1 3.73Å; V226-L255 PolarHBondContact N-O 2.75Å; V226-Y256 HydrophobicContact CB-CD1 3.66Å; V226-Y256 HydrophobicContact CB-CE1 3.75Å; V226-Y256 HydrophobicContact CB-CG 4.42Å; V226-Y256 HydrophobicContact CG1-CD1 3.95Å; V226-Y256 HydrophobicContact CG1-CE1 3.86Å; V226-Y256 HydrophobicContact CG2-CD1 4.23Å; V226-Y256 HydrophobicContact CG2-CE1 3.89Å; V226-Y256 WeakPolarHBondContact O-CA 3.5Å; V226-H257 PolarHBondContact O-N 2.87Å; V226-Y285 CarbonylContact C-O 3.51Å; V226-Y285 WeakPolarHBondContact CA-O 3.4Å; V226-Y285 HydrophobicContact CG1-CD1 4.08Å; V226-Y285 HydrophobicContact CG2-CD1 4.22Å; V226-R287 HydrophobicContact CG1-CB 4.43Å; V226-R287 HydrophobicContact CG1-CG 3.6Å
227V98.4Very high94Very high0 Ų050.6 Ų50.60%027%0.272CS..EExtended strand (participates in β ladder)trans-82.4114.9178.1-1720000108.7L225 H257 F259 L262 V284 Y285 F286 R287 T288 L307L225-V227 HydrophobicContact CD2-CG2 4.15Å; L225-V227 HydrophobicContact CG-CG2 4.1Å; V227-H257 VanDerWaalsContact CA-O 3.31Å; V227-H257 WeakPolarHBondContact CA-O 3.28Å; V227-F259 HydrophobicContact CG1-CD1 4.37Å; V227-F259 HydrophobicContact CG1-CD2 4.23Å; V227-F259 HydrophobicContact CG1-CE1 4.22Å; V227-F259 HydrophobicContact CG1-CE2 4.08Å; V227-F259 HydrophobicContact CG1-CG 4.36Å; V227-F259 HydrophobicContact CG1-CZ 4.06Å; V227-L262 HydrophobicContact CG1-CD1 4.3Å; V227-L262 HydrophobicContact CG2-CD1 4.14Å; V227-V284 HydrophobicContact CG2-CG1 3.73Å; V227-Y285 PolarHBondContact N-O 3.24Å; V227-F286 HydrophobicContact CB-CD1 3.94Å; V227-F286 HydrophobicContact CB-CE1 4.42Å; V227-F286 HydrophobicContact CG1-CD1 4.32Å; V227-F286 HydrophobicContact CG2-CD1 3.98Å; V227-F286 HydrophobicContact CG2-CE1 4.03Å; V227-R287 WeakPolarHBondContact O-CA 3.35Å; V227-R287 WeakPolarHBondContact O-CB 3.46Å; V227-R287 PolarHBondContact O-N 2.92Å; V227-T288 HydrophobicContact CG1-CG2 3.94Å; V227-T288 PolarHBondContact O-N 3.36Å; V227-L307 HydrophobicContact CG2-CD1 4.23Å
228V96.7Very high94Very high22 Ų2249.6 Ų49.613%0.13327%0.267CS..  trans-118.6155.2-172-65.10000112.6V226 Y256 H257 S258 R287 T288V226-V228 HydrophobicContact CG1-CG1 3.84Å; V226-V228 PolarHBondContact O-N 2.57Å; V228-Y256 HydrophobicContact CG1-CD1 3.93Å; V228-H257 PolarHBondContact N-O 3.47Å; V228-S258 VanDerWaalsContact O-CA 3.25Å; V228-S258 WeakPolarHBondContact O-CA 3.3Å; V228-S258 WeakPolarHBondContact O-CB 3.26Å; V228-R287 HydrophobicContact CG1-CB 4.34Å; V228-T288 VanDerWaalsContact C-CG2 3.44Å
229G92.8Very high94.1Very high24 Ų2447.7 Ų47.725%0.24725%0.25CS..  trans-75.9155.1170.900000112.1N231G229-N231 PolarHBondContact O-N 3.27Å
230N88.6Confident94.3Very high124 Ų12446.4 Ų46.466%0.66324%0.243SC*.THydrogen-bonded Turntrans-61.4-29.6-179-69.2-23.3000113.4S258N230-S258 WeakPolarHBondContact OD1-CB 3.29Å; N230-S258 PolarHBondContact OD1-OG 3.03Å
231N86.8Confident94.8Very high148 Ų14841.9 Ų41.979%0.79121%0.21SC*.THydrogen-bonded Turntrans-121.848.1-177-65.9-35.5000111.8G229 K233G229-N231 PolarHBondContact O-N 3.27Å; N231-K233 PolarHBondContact O-N 2.97Å
232E89.7Confident95.1Very high44 Ų4436 Ų3621%0.20618%0.179CC..  trans-64.4119.3-179.7179.457.2-94.400111.7N234 I235 Q238E232-N234 VanDerWaalsContact OE1-CB 3.3Å; E232-N234 WeakPolarHBondContact OE1-CB 3.33Å; E232-N234 PolarHBondContact OE1-N 3.49Å; E232-I235 HydrophobicContact CB-CG2 3.97Å; E232-I235 HydrophobicContact CG-CG2 3.67Å; E232-I235 WeakPolarHBondContact O-CG2 3.26Å; E232-Q238 VanDerWaalsContact CD-NE2 3.28Å; E232-Q238 PolarHBondContact OE2-NE2 3.26Å
233K89.7Confident95.1Very high118 Ų11836.3 Ų36.351%0.51319%0.188SC..SBendtrans-91.7-19.8178.5-67-176.7-178.4179.10113V17 N231 I235 V492V17-K233 PolarHBondContact N-O 3.35Å; N231-K233 PolarHBondContact O-N 2.97Å; K233-I235 VanDerWaalsContact C-N 3.34Å; K233-I235 PolarHBondContact O-N 2.75Å; K233-V492 HydrophobicContact CB-CG1 3.66Å; K233-V492 HydrophobicContact CD-CG1 3.98Å; K233-V492 HydrophobicContact CG-CG1 4.44Å
234N91.4Very high95.1Very high15 Ų1537.5 Ų37.58%0.0820%0.196CC..  trans-91.121.5-178.7-75.3-26.6000113.9E232 Y236 D237 Q238 V492E232-N234 VanDerWaalsContact OE1-CB 3.3Å; E232-N234 WeakPolarHBondContact OE1-CB 3.33Å; E232-N234 PolarHBondContact OE1-N 3.49Å; N234-Y236 PolarHBondContact O-N 3.13Å; N234-Y236 VanDerWaalsContact O-N 3.07Å; N234-D237 HydrophobicContact CB-CB 4.47Å; N234-D237 WeakPolarHBondContact O-CB 3.45Å; N234-D237 PolarHBondContact O-N 3.46Å; N234-Q238 WeakPolarHBondContact O-CG 3.15Å; N234-Q238 PolarHBondContact O-N 2.92Å; N234-V492 VanDerWaalsContact CG-CG2 3.45Å; N234-V492 VanDerWaalsContact ND2-CG2 3.3Å; N234-V492 WeakPolarHBondContact ND2-CG2 3.44Å; N234-V492 WeakPolarHBondContact OD1-CG2 3.27Å
235I94.9Very high95Very high54 Ų5437.5 Ų37.528%0.27720%0.196SC..Hα-helixtrans-55-35.4-174.468.4-177.9000112.9V17 E232 K233 D237 Q238 R239V17-I235 HydrophobicContact CG2-CD1 3.39Å; V17-I235 HydrophobicContact CG2-CG1 3.55Å; E232-I235 HydrophobicContact CB-CG2 3.97Å; E232-I235 HydrophobicContact CG-CG2 3.67Å; E232-I235 WeakPolarHBondContact O-CG2 3.26Å; K233-I235 VanDerWaalsContact C-N 3.34Å; K233-I235 PolarHBondContact O-N 2.75Å; I235-D237 VanDerWaalsContact C-N 3.33Å; I235-D237 PolarHBondContact O-N 3.13Å; I235-Q238 WeakPolarHBondContact O-CB 3.32Å; I235-Q238 PolarHBondContact O-N 2.99Å; I235-Q238 VanDerWaalsContact O-N 3.14Å; I235-R239 WeakPolarHBondContact O-CB 3.5Å; I235-R239 VanDerWaalsContact O-CG 3.24Å; I235-R239 WeakPolarHBondContact O-CG 3.32Å; I235-R239 PolarHBondContact O-N 3.39Å
236Y95.8Very high94.9Very high56 Ų5640.9 Ų40.922%0.2221%0.214CC..Hα-helixtrans-67.4-32.5-178.8-61.2-71.1000112.9L15 K16 V17 P22 N234 A240L15-Y236 HydrophobicContact CB-CD1 4.28Å; L15-Y236 HydrophobicContact CB-CD2 3.61Å; L15-Y236 HydrophobicContact CB-CE2 4.09Å; L15-Y236 HydrophobicContact CB-CG 3.73Å; L15-Y236 HydrophobicContact CD1-CD1 4.38Å; L15-Y236 HydrophobicContact CD1-CE1 4.41Å; K16-Y236 WeakPolarHBondContact O-CE2 3.43Å; V17-Y236 HydrophobicContact CG2-CD2 4.44Å; V17-Y236 HydrophobicContact CG2-CE2 3.84Å; P22-Y236 WeakPolarHBondContact CA-OH 3.23Å; P22-Y236 HydrophobicContact CB-CE2 4.26Å; P22-Y236 VanDerWaalsContact CB-OH 3.23Å; P22-Y236 WeakPolarHBondContact CB-OH 3.42Å; P22-Y236 WeakPolarHBondContact CG-OH 3.44Å; N234-Y236 PolarHBondContact O-N 3.13Å; N234-Y236 VanDerWaalsContact O-N 3.07Å; Y236-A240 VanDerWaalsContact O-CB 3.3Å; Y236-A240 WeakPolarHBondContact O-CB 3.49Å; Y236-A240 PolarHBondContact O-N 3.34Å
237D96.8Very high94.9Very high0 Ų048.2 Ų48.20%025%0.252CS..Hα-helixtrans-64-47.7169.4172.261.3000111F160 C161 G162 L163 N234 I235 R239 A240 L241 R287F160-D237 VanDerWaalsContact CA-CG 3.5Å; F160-D237 WeakPolarHBondContact CA-OD1 3.31Å; F160-D237 PolarHBondContact N-OD1 3.23Å; F160-D237 PolarHBondContact N-OD2 3.26Å; C161-D237 PolarHBondContact N-OD1 2.65Å; G162-D237 WeakPolarHBondContact CA-OD1 3.48Å; G162-D237 PolarHBondContact N-OD1 3.48Å; L163-D237 HydrophobicContact CD1-CB 4.12Å; L163-D237 HydrophobicContact CG-CB 3.92Å; L163-D237 PolarHBondContact N-OD1 3.2Å; N234-D237 HydrophobicContact CB-CB 4.47Å; N234-D237 WeakPolarHBondContact O-CB 3.45Å; N234-D237 PolarHBondContact O-N 3.46Å; I235-D237 VanDerWaalsContact C-N 3.33Å; I235-D237 PolarHBondContact O-N 3.13Å; D237-R239 VanDerWaalsContact C-N 3.3Å; D237-R239 PolarHBondContact O-N 3.5Å; D237-A240 WeakPolarHBondContact O-CB 3.47Å; D237-A240 PolarHBondContact O-N 2.72Å; D237-L241 PolarHBondContact O-N 3.3Å; D237-L241 VanDerWaalsContact O-N 3.11Å; D237-R287 IonicContact OD2-CZ 2.59Å; D237-R287 IonicContact OD2-NH1 3.93Å; D237-R287 IonicContact OD2-NH2 3.66Å; D237-R287 PolarHBondContact OD2-NH2 3.21Å; D237-R287 VanDerWaalsContact OD2-NH2 3.16Å
238Q96.5Very high94.8Very high4 Ų452.1 Ų52.12%0.01927%0.269CS..Hα-helixtrans-61.5-40.8178.3-45.4-166.6-11.200111.8E232 N234 I235 L241 I242E232-Q238 VanDerWaalsContact CD-NE2 3.28Å; E232-Q238 PolarHBondContact OE2-NE2 3.26Å; N234-Q238 WeakPolarHBondContact O-CG 3.15Å; N234-Q238 PolarHBondContact O-N 2.92Å; I235-Q238 WeakPolarHBondContact O-CB 3.32Å; I235-Q238 PolarHBondContact O-N 2.99Å; I235-Q238 VanDerWaalsContact O-N 3.14Å; Q238-L241 PolarHBondContact O-N 2.89Å; Q238-I242 WeakPolarHBondContact O-CB 3.48Å; Q238-I242 WeakPolarHBondContact O-CG1 3.43Å; Q238-I242 PolarHBondContact O-N 2.95Å
239R96.1Very high94.8Very high112 Ų11253.7 Ų53.742%0.42328%0.277SS..Hα-helixtrans-72.3-30.7178.7-65.9-60.3178.4-83.58.8112.1I235 D237 G243 Y256I235-R239 WeakPolarHBondContact O-CB 3.5Å; I235-R239 VanDerWaalsContact O-CG 3.24Å; I235-R239 WeakPolarHBondContact O-CG 3.32Å; I235-R239 PolarHBondContact O-N 3.39Å; D237-R239 VanDerWaalsContact C-N 3.3Å; D237-R239 PolarHBondContact O-N 3.5Å; R239-G243 WeakPolarHBondContact O-CA 3.49Å; R239-G243 PolarHBondContact O-N 2.88Å; R239-Y256 VanDerWaalsContact CZ-CZ 3.45Å; R239-Y256 PolarHBondContact NH1-OH 3.38Å
240A97.3Very high94.8Very high2 Ų257.5 Ų57.52%0.01730%0.297CS..Hα-helixtrans-63.4-47171.800000111.1Y236 D237 C244Y236-A240 VanDerWaalsContact O-CB 3.3Å; Y236-A240 WeakPolarHBondContact O-CB 3.49Å; Y236-A240 PolarHBondContact O-N 3.34Å; D237-A240 WeakPolarHBondContact O-CB 3.47Å; D237-A240 PolarHBondContact O-N 2.72Å; A240-C244 PolarHBondContact O-N 3.26Å; A240-C244 PolarHBondContact O-SG 2.84Å
241L97.9Very high95Very high1 Ų160.4 Ų60.41%0.00530%0.304CS..Hα-helixtrans-59.4-53.4173.2171.862.8000111.9A194 F197 S198 L201 D237 Q238 G243 C244 L245 Y285A194-L241 WeakPolarHBondContact O-CD1 3.46Å; F197-L241 HydrophobicContact CB-CD1 3.61Å; S198-L241 WeakPolarHBondContact OG-CD1 3.49Å; S198-L241 PolarHBondContact OG-O 3.2Å; L201-L241 HydrophobicContact CD1-CD2 4.29Å; D237-L241 PolarHBondContact O-N 3.3Å; D237-L241 VanDerWaalsContact O-N 3.11Å; Q238-L241 PolarHBondContact O-N 2.89Å; L241-G243 VanDerWaalsContact C-N 3.29Å; L241-G243 PolarHBondContact O-N 2.97Å; L241-C244 WeakPolarHBondContact O-CB 3.11Å; L241-C244 PolarHBondContact O-N 3.43Å; L241-C244 VanDerWaalsContact O-N 3.17Å; L241-L245 PolarHBondContact O-N 3.45Å; L241-L245 VanDerWaalsContact O-N 3.1Å; L241-Y285 HydrophobicContact CD2-CE1 3.79Å
242I97.5Very high95.3Very high7 Ų753.9 Ų53.94%0.03627%0.269CS..Hα-helixtrans-68.8-29.2-175.5-66.6-60000112.2V226 Q238 L245 L246 V254 Y256V226-I242 HydrophobicContact CG2-CD1 4.47Å; Q238-I242 WeakPolarHBondContact O-CB 3.48Å; Q238-I242 WeakPolarHBondContact O-CG1 3.43Å; Q238-I242 PolarHBondContact O-N 2.95Å; I242-L245 HydrophobicContact CD1-CD1 4.32Å; I242-L245 WeakPolarHBondContact O-CB 3.45Å; I242-L245 PolarHBondContact O-N 3.4Å; I242-L246 HydrophobicContact CG2-CD1 3.95Å; I242-L246 HydrophobicContact CG2-CG 4.23Å; I242-L246 WeakPolarHBondContact O-CG 3.49Å; I242-L246 PolarHBondContact O-N 3Å; I242-V254 HydrophobicContact CD1-CG1 4.15Å; I242-V254 HydrophobicContact CG1-CG1 4.4Å; I242-V254 HydrophobicContact CG2-CB 4.25Å; I242-V254 HydrophobicContact CG2-CG1 4.05Å; I242-V254 HydrophobicContact CG2-CG2 4.01Å; I242-Y256 WeakPolarHBondContact CB-OH 3.33Å; I242-Y256 WeakPolarHBondContact CG1-OH 3.46Å; I242-Y256 WeakPolarHBondContact CG2-OH 3.36Å
243G96.7Very high95.6Very high30 Ų3054.4 Ų54.431%0.30927%0.273SS..Hα-helixtrans-60.9-45.9170.200000112.4R239 L241 L245 L246 L247R239-G243 WeakPolarHBondContact O-CA 3.49Å; R239-G243 PolarHBondContact O-N 2.88Å; L241-G243 VanDerWaalsContact C-N 3.29Å; L241-G243 PolarHBondContact O-N 2.97Å; G243-L245 VanDerWaalsContact C-N 3.31Å; G243-L245 PolarHBondContact O-N 2.99Å; G243-L246 PolarHBondContact O-N 3Å; G243-L247 WeakPolarHBondContact O-CG 3.44Å; G243-L247 PolarHBondContact O-N 3.31Å
244C97.3Very high96Very high26 Ų2649.8 Ų49.818%0.17626%0.255CS..Hα-helixtrans-59.3-42.3173.7-70.70000111.7A194 S198 A240 L241 L247 K248A194-C244 HydrophobicContact CB-CB 4.29Å; S198-C244 WeakPolarHBondContact OG-CB 3.35Å; A240-C244 PolarHBondContact O-N 3.26Å; A240-C244 PolarHBondContact O-SG 2.84Å; L241-C244 WeakPolarHBondContact O-CB 3.11Å; L241-C244 PolarHBondContact O-N 3.43Å; L241-C244 VanDerWaalsContact O-N 3.17Å; C244-L247 PolarHBondContact O-N 3.41Å; C244-K248 WeakPolarHBondContact O-CG 3.24Å; C244-K248 PolarHBondContact O-N 3.27Å
245L98.1Very high96.3Very high0 Ų049.8 Ų49.80%026%0.255CS..Hα-helixtrans-60.8-48.9176.8-174151.2000112.4S198 L201 L202 I224 L241 I242 G243 L247 K248 N249 V252 V254S198-L245 PolarHBondContact OG-N 3.27Å; L201-L245 HydrophobicContact CB-CD1 3.73Å; L201-L245 HydrophobicContact CD1-CD1 3.89Å; L201-L245 HydrophobicContact CG-CD1 4.46Å; L202-L245 HydrophobicContact CD1-CG 4.34Å; L202-L245 HydrophobicContact CD2-CD1 4.28Å; L202-L245 HydrophobicContact CD2-CD2 3.94Å; L202-L245 HydrophobicContact CD2-CG 3.89Å; L202-L245 HydrophobicContact CG-CD1 4.28Å; L202-L245 HydrophobicContact CG-CG 3.98Å; I224-L245 HydrophobicContact CD1-CD1 3.51Å; I224-L245 HydrophobicContact CD1-CD2 4.3Å; L241-L245 PolarHBondContact O-N 3.45Å; L241-L245 VanDerWaalsContact O-N 3.1Å; I242-L245 HydrophobicContact CD1-CD1 4.32Å; I242-L245 WeakPolarHBondContact O-CB 3.45Å; I242-L245 PolarHBondContact O-N 3.4Å; G243-L245 VanDerWaalsContact C-N 3.31Å; G243-L245 PolarHBondContact O-N 2.99Å; L245-L247 VanDerWaalsContact C-N 3.33Å; L245-L247 PolarHBondContact O-N 3.14Å; L245-K248 PolarHBondContact O-N 2.84Å; L245-K248 VanDerWaalsContact O-N 3.16Å; L245-N249 PolarHBondContact O-N 2.84Å; L245-V252 HydrophobicContact CD2-CB 4.38Å; L245-V252 HydrophobicContact CD2-CG1 4.22Å; L245-V254 HydrophobicContact CD2-CG2 4.37Å
246L96.9Very high96.4Very high70 Ų7049.8 Ų49.837%0.36625%0.252SS..Hα-helixtrans-68.2-31.1-177.8-70.3171.7000112.8I242 G243 K248 N249 P250 V252 V254I242-L246 HydrophobicContact CG2-CD1 3.95Å; I242-L246 HydrophobicContact CG2-CG 4.23Å; I242-L246 WeakPolarHBondContact O-CG 3.49Å; I242-L246 PolarHBondContact O-N 3Å; G243-L246 PolarHBondContact O-N 3Å; L246-K248 VanDerWaalsContact C-N 3.33Å; L246-N249 CarbonylContact O-C 3.58Å; L246-P250 VanDerWaalsContact O-CA 3.29Å; L246-P250 WeakPolarHBondContact O-CA 3.44Å; L246-P250 WeakPolarHBondContact O-CD 3.41Å; L246-P250 VanDerWaalsContact O-N 3.11Å; L246-V252 WeakPolarHBondContact CD2-O 3.46Å; L246-V254 HydrophobicContact CD2-CG2 4.28Å
247L97Very high96.5Very high155 Ų15548.6 Ų48.681%0.81225%0.249SC*.Hα-helixtrans-65.6-37172.1-73.6171.5000112G243 C244 L245G243-L247 WeakPolarHBondContact O-CG 3.44Å; G243-L247 PolarHBondContact O-N 3.31Å; C244-L247 PolarHBondContact O-N 3.41Å; L245-L247 VanDerWaalsContact C-N 3.33Å; L245-L247 PolarHBondContact O-N 3.14Å
248K96.9Very high96.5Very high82 Ų8249.5 Ų49.536%0.35726%0.255SS..Hα-helixtrans-76.4-36.6176.8-67.1176.4-167-820112.2D195 E199 L202 C244 L245 L246D195-K248 WeakPolarHBondContact OD1-CE 3.39Å; D195-K248 IonicContact OD1-NZ 3.79Å; D195-K248 PolarHBondContact OD1-NZ 3.46Å; E199-K248 HydrophobicContact CG-CD 4.06Å; E199-K248 IonicContact OE1-NZ 3.74Å; E199-K248 PolarHBondContact OE1-NZ 2.94Å; L202-K248 HydrophobicContact CD1-CB 3.89Å; C244-K248 WeakPolarHBondContact O-CG 3.24Å; C244-K248 PolarHBondContact O-N 3.27Å; L245-K248 PolarHBondContact O-N 2.84Å; L245-K248 VanDerWaalsContact O-N 3.16Å; L246-K248 VanDerWaalsContact C-N 3.33Å
249N95.7Very high96.6Very high55 Ų5549.7 Ų49.729%0.29426%0.256SS..  trans-145.290.6179-168.6-15000112.2L202 L245 L246 K251 V252L202-N249 HydrophobicContact CD1-CB 3.92Å; L202-N249 HydrophobicContact CD2-CB 3.74Å; L245-N249 PolarHBondContact O-N 2.84Å; L246-N249 CarbonylContact O-C 3.58Å; N249-K251 PolarHBondContact O-N 3.32Å; N249-K251 VanDerWaalsContact O-N 3.17Å; N249-K251 PolarHBondContact OD1-N 3.1Å; N249-V252 HydrophobicContact CB-CG2 4.35Å; N249-V252 PolarHBondContact O-N 2.97Å
250P93.5Very high96.6Very high105 Ų10548.8 Ų48.868%0.68226%0.259SS*.THydrogen-bonded Turntrans-73.3-5.8-176.528.6-35.9000114.1L246L246-P250 VanDerWaalsContact O-CA 3.29Å; L246-P250 WeakPolarHBondContact O-CA 3.44Å; L246-P250 WeakPolarHBondContact O-CD 3.41Å; L246-P250 VanDerWaalsContact O-N 3.11Å
251K92.6Very high96.6Very high185 Ų18553.1 Ų53.180%0.80428%0.275SS*.THydrogen-bonded Turntrans-87.6-19.1179.1-63.5-175.5-179.6-179.80113N249 N253N249-K251 PolarHBondContact O-N 3.32Å; N249-K251 VanDerWaalsContact O-N 3.17Å; N249-K251 PolarHBondContact OD1-N 3.1Å; K251-N253 PolarHBondContact O-N 3.1Å
252V93.6Very high96.6Very high10 Ų1053 Ų536%0.06128%0.275CS..SBendtrans-74.2126.1176.9171.30000108.6L202 I224 L245 L246 N249L202-V252 HydrophobicContact CD2-CB 4.41Å; L202-V252 HydrophobicContact CD2-CG2 3.84Å; I224-V252 HydrophobicContact CD1-CG1 3.87Å; I224-V252 HydrophobicContact CG1-CG1 3.85Å; L245-V252 HydrophobicContact CD2-CB 4.38Å; L245-V252 HydrophobicContact CD2-CG1 4.22Å; L246-V252 WeakPolarHBondContact CD2-O 3.46Å; N249-V252 HydrophobicContact CB-CG2 4.35Å; N249-V252 PolarHBondContact O-N 2.97Å
253N95.8Very high96.6Very high55 Ų5555.4 Ų55.429%0.29429%0.285SS..EExtended strand (participates in β ladder)trans-83.5147.5173.9-179.650.8000110.8I222 S223 I224 K251 L255 Q279I222-N253 PolarHBondContact O-N 2.91Å; S223-N253 CarbonylContact C-O 3.56Å; S223-N253 VanDerWaalsContact CA-O 3.24Å; S223-N253 WeakPolarHBondContact CA-O 3.49Å; S223-N253 PolarHBondContact OG-ND2 2.95Å; I224-N253 PolarHBondContact N-O 3.11Å; K251-N253 PolarHBondContact O-N 3.1Å; N253-L255 WeakPolarHBondContact ND2-CD2 3.48Å; N253-Q279 PolarHBondContact ND2-OE1 3.19Å
254V97.7Very high96.6Very high22 Ų2259.7 Ų59.713%0.13331%0.306CS..EExtended strand (participates in β ladder)trans-128.7117.5179.3-173.80000109.7I224 V226 I242 L245 L246 Y256I224-V254 WeakPolarHBondContact O-CA 3.49Å; V226-V254 HydrophobicContact CG2-CG1 3.73Å; I242-V254 HydrophobicContact CD1-CG1 4.15Å; I242-V254 HydrophobicContact CG1-CG1 4.4Å; I242-V254 HydrophobicContact CG2-CB 4.25Å; I242-V254 HydrophobicContact CG2-CG1 4.05Å; I242-V254 HydrophobicContact CG2-CG2 4.01Å; L245-V254 HydrophobicContact CD2-CG2 4.37Å; L246-V254 HydrophobicContact CD2-CG2 4.28Å; V254-Y256 HydrophobicContact CB-CE2 4.48Å; V254-Y256 HydrophobicContact CG1-CD2 4.34Å; V254-Y256 HydrophobicContact CG1-CE2 3.73Å
255L97.9Very high96.5Very high14 Ų1459 Ų597%0.07330%0.303CS..EExtended strand (participates in β ladder)trans-100.1142.1179.3-57177.6000110I224 L225 V226 N253 V276 Q279 V281I224-L255 PolarHBondContact O-N 3.24Å; L225-L255 HydrophobicContact CD1-CB 3.9Å; V226-L255 PolarHBondContact N-O 2.75Å; N253-L255 WeakPolarHBondContact ND2-CD2 3.48Å; L255-V276 HydrophobicContact CD1-CB 3.93Å; L255-V276 HydrophobicContact CD1-CG1 4.16Å; L255-Q279 HydrophobicContact CD1-CB 4.31Å; L255-V281 HydrophobicContact CD1-CG2 4.43Å
256Y96.9Very high96.5Very high54 Ų5460.2 Ų60.221%0.21231%0.309CS..EExtended strand (participates in β ladder)trans-125.4108175.9-69.4-89.4000109.5V226 V228 R239 I242 V254V226-Y256 HydrophobicContact CB-CD1 3.66Å; V226-Y256 HydrophobicContact CB-CE1 3.75Å; V226-Y256 HydrophobicContact CB-CG 4.42Å; V226-Y256 HydrophobicContact CG1-CD1 3.95Å; V226-Y256 HydrophobicContact CG1-CE1 3.86Å; V226-Y256 HydrophobicContact CG2-CD1 4.23Å; V226-Y256 HydrophobicContact CG2-CE1 3.89Å; V226-Y256 WeakPolarHBondContact O-CA 3.5Å; V228-Y256 HydrophobicContact CG1-CD1 3.93Å; R239-Y256 VanDerWaalsContact CZ-CZ 3.45Å; R239-Y256 PolarHBondContact NH1-OH 3.38Å; I242-Y256 WeakPolarHBondContact CB-OH 3.33Å; I242-Y256 WeakPolarHBondContact CG1-OH 3.46Å; I242-Y256 WeakPolarHBondContact CG2-OH 3.36Å; V254-Y256 HydrophobicContact CB-CE2 4.48Å; V254-Y256 HydrophobicContact CG1-CD2 4.34Å; V254-Y256 HydrophobicContact CG1-CE2 3.73Å
257H97.6Very high96.6Very high32 Ų3263.2 Ų63.215%0.14832%0.319CS..EExtended strand (participates in β ladder)trans-138.6147.4-179.7-65.6-68.5000111.5L225 V226 V227 V228 Y261 L262 D277L225-H257 HydrophobicContact CD1-CB 4.25Å; V226-H257 PolarHBondContact O-N 2.87Å; V227-H257 VanDerWaalsContact CA-O 3.31Å; V227-H257 WeakPolarHBondContact CA-O 3.28Å; V228-H257 PolarHBondContact N-O 3.47Å; H257-Y261 HydrophobicContact CB-CD1 3.7Å; H257-Y261 HydrophobicContact CB-CE1 4.44Å; H257-Y261 HydrophobicContact CB-CG 4.17Å; H257-Y261 AromaticContact CE1-CD1 3.7Å; H257-Y261 AromaticContact CE1-CE1 3.23Å; H257-Y261 WeakPolarHBondContact CE1-CE1 3.33Å; H257-Y261 AromaticContact CE1-CZ 3.43Å; H257-Y261 VanDerWaalsContact CE1-CZ 3.43Å; H257-Y261 AromaticContact CG-CD1 3.34Å; H257-Y261 AromaticContact CG-CE1 3.62Å; H257-Y261 AromaticContact CG-CG 4Å; H257-Y261 AromaticContact ND1-CD1 3.03Å; H257-Y261 WeakPolarHBondContact ND1-CD1 3.31Å; H257-Y261 AromaticContact ND1-CD2 3.85Å; H257-Y261 AromaticContact ND1-CE1 3.12Å; H257-Y261 WeakPolarHBondContact ND1-CE1 3.37Å; H257-Y261 AromaticContact ND1-CE2 3.92Å; H257-Y261 AromaticContact ND1-CG 3.42Å; H257-Y261 AromaticContact ND1-CZ 3.57Å; H257-Y261 AromaticContact NE2-CE1 3.82Å; H257-L262 HydrophobicContact CB-CD2 4.02Å; H257-L262 HydrophobicContact CB-CG 4Å; H257-D277 IonicContact CE1-OD2 3.5Å; H257-D277 IonicContact NE2-OD2 3.04Å; H257-D277 PolarHBondContact NE2-OD2 2.9Å
258S97Very high96.6Very high18 Ų1858 Ų5813%0.12629%0.292CS..  trans-81.3164.5170.265.20000111.1V228 N230 D260 Y261 L262V228-S258 VanDerWaalsContact O-CA 3.25Å; V228-S258 WeakPolarHBondContact O-CA 3.3Å; V228-S258 WeakPolarHBondContact O-CB 3.26Å; N230-S258 WeakPolarHBondContact OD1-CB 3.29Å; N230-S258 PolarHBondContact OD1-OG 3.03Å; S258-D260 PolarHBondContact O-N 3.26Å; S258-Y261 PolarHBondContact O-N 2.9Å; S258-Y261 PolarHBondContact OG-N 2.9Å; S258-L262 VanDerWaalsContact O-CG 3.27Å; S258-L262 WeakPolarHBondContact O-CG 3.33Å; S258-L262 PolarHBondContact O-N 3.02Å; S258-L262 VanDerWaalsContact O-N 3.12Å
259F98Very high96.5Very high9 Ų956 Ų564%0.03929%0.285CS..Hα-helixtrans-53.4-39170.7-80.3-66.1000112.5V227 L262 K263 F286 T288 A294 F295 T300 V303 K304 L307V227-F259 HydrophobicContact CG1-CD1 4.37Å; V227-F259 HydrophobicContact CG1-CD2 4.23Å; V227-F259 HydrophobicContact CG1-CE1 4.22Å; V227-F259 HydrophobicContact CG1-CE2 4.08Å; V227-F259 HydrophobicContact CG1-CG 4.36Å; V227-F259 HydrophobicContact CG1-CZ 4.06Å; F259-L262 PolarHBondContact O-N 2.91Å; F259-K263 PolarHBondContact O-N 3.03Å; F259-F286 HydrophobicContact CE1-CE1 4.32Å; F259-F286 HydrophobicContact CZ-CD1 4.27Å; F259-F286 HydrophobicContact CZ-CE1 4.12Å; F259-T288 HydrophobicContact CD2-CG2 4.05Å; F259-T288 HydrophobicContact CE2-CG2 3.83Å; F259-A294 HydrophobicContact CE2-CB 4.49Å; F259-F295 HydrophobicContact CE1-CE1 4.1Å; F259-F295 HydrophobicContact CE2-CE1 4.1Å; F259-F295 HydrophobicContact CE2-CZ 4.02Å; F259-F295 AromaticContact CZ-CE1 3.84Å; F259-F295 HydrophobicContact CZ-CE1 3.84Å; F259-F295 AromaticContact CZ-CZ 3.84Å; F259-F295 HydrophobicContact CZ-CZ 3.84Å; F259-T300 HydrophobicContact CB-CG2 3.52Å; F259-T300 HydrophobicContact CD1-CG2 4.13Å; F259-T300 HydrophobicContact CD2-CG2 4.3Å; F259-T300 HydrophobicContact CG-CG2 3.75Å; F259-V303 HydrophobicContact CD1-CB 4.23Å; F259-V303 HydrophobicContact CD1-CG1 3.63Å; F259-V303 HydrophobicContact CE1-CG1 4.23Å; F259-K304 HydrophobicContact CE1-CB 4.21Å; F259-L307 HydrophobicContact CE1-CD1 4.17Å
260D96.7Very high96.5Very high92 Ų9258.8 Ų58.849%0.49231%0.309SS..Hα-helixtrans-63.4-46.2-179.1-17065.7000112.3S258 L262 K263S258-D260 PolarHBondContact O-N 3.26Å; D260-L262 VanDerWaalsContact C-N 3.27Å; D260-L262 PolarHBondContact O-N 2.82Å; D260-K263 WeakPolarHBondContact O-CB 3.27Å; D260-K263 WeakPolarHBondContact O-CG 3.24Å; D260-K263 PolarHBondContact O-N 2.79Å; D260-K263 IonicContact OD1-NZ 3.03Å; D260-K263 PolarHBondContact OD1-NZ 2.77Å
261Y97.2Very high96.6Very high93 Ų9356.6 Ų56.637%0.36529%0.291SS..Hα-helixtrans-59.4-42173.5-177.6-86.6000111.7H257 S258 K263 T264 G265 V276 D277H257-Y261 HydrophobicContact CB-CD1 3.7Å; H257-Y261 HydrophobicContact CB-CE1 4.44Å; H257-Y261 HydrophobicContact CB-CG 4.17Å; H257-Y261 AromaticContact CE1-CD1 3.7Å; H257-Y261 AromaticContact CE1-CE1 3.23Å; H257-Y261 WeakPolarHBondContact CE1-CE1 3.33Å; H257-Y261 AromaticContact CE1-CZ 3.43Å; H257-Y261 VanDerWaalsContact CE1-CZ 3.43Å; H257-Y261 AromaticContact CG-CD1 3.34Å; H257-Y261 AromaticContact CG-CE1 3.62Å; H257-Y261 AromaticContact CG-CG 4Å; H257-Y261 AromaticContact ND1-CD1 3.03Å; H257-Y261 WeakPolarHBondContact ND1-CD1 3.31Å; H257-Y261 AromaticContact ND1-CD2 3.85Å; H257-Y261 AromaticContact ND1-CE1 3.12Å; H257-Y261 WeakPolarHBondContact ND1-CE1 3.37Å; H257-Y261 AromaticContact ND1-CE2 3.92Å; H257-Y261 AromaticContact ND1-CG 3.42Å; H257-Y261 AromaticContact ND1-CZ 3.57Å; H257-Y261 AromaticContact NE2-CE1 3.82Å; S258-Y261 PolarHBondContact O-N 2.9Å; S258-Y261 PolarHBondContact OG-N 2.9Å; Y261-K263 PolarHBondContact O-N 2.79Å; Y261-T264 PolarHBondContact O-N 3Å; Y261-T264 PolarHBondContact O-OG1 2.94Å; Y261-G265 PolarHBondContact O-N 2.8Å; Y261-V276 HydrophobicContact CE1-CG1 4.43Å; Y261-D277 PolarHBondContact OH-OD1 2.83Å; Y261-D277 PolarHBondContact OH-OD2 3.03Å
262L98.3Very high96.7Very high0 Ų049 Ų490%026%0.261CS..Hα-helixtrans-67.3-18.2-176.6-69.5173.4000113.3L225 V227 H257 S258 F259 D260 T264 L266 V276 V303 L307L225-L262 HydrophobicContact CD1-CD2 4.28Å; L225-L262 HydrophobicContact CD2-CD1 4.06Å; L225-L262 HydrophobicContact CD2-CD2 4.06Å; V227-L262 HydrophobicContact CG1-CD1 4.3Å; V227-L262 HydrophobicContact CG2-CD1 4.14Å; H257-L262 HydrophobicContact CB-CD2 4.02Å; H257-L262 HydrophobicContact CB-CG 4Å; S258-L262 VanDerWaalsContact O-CG 3.27Å; S258-L262 WeakPolarHBondContact O-CG 3.33Å; S258-L262 PolarHBondContact O-N 3.02Å; S258-L262 VanDerWaalsContact O-N 3.12Å; F259-L262 PolarHBondContact O-N 2.91Å; D260-L262 VanDerWaalsContact C-N 3.27Å; D260-L262 PolarHBondContact O-N 2.82Å; L262-T264 PolarHBondContact O-N 2.85Å; L262-T264 VanDerWaalsContact O-N 3.14Å; L262-L266 HydrophobicContact CB-CD2 4.16Å; L262-L266 HydrophobicContact CD2-CB 4.39Å; L262-L266 VanDerWaalsContact O-CD2 3.23Å; L262-L266 WeakPolarHBondContact O-CD2 3.49Å; L262-L266 WeakPolarHBondContact O-CG 2.97Å; L262-L266 PolarHBondContact O-N 3.2Å; L262-V276 HydrophobicContact CD2-CG1 3.92Å; L262-V276 HydrophobicContact CD2-CG2 3.75Å; L262-V303 HydrophobicContact CB-CG1 3.68Å; L262-V303 HydrophobicContact CB-CG2 4.47Å; L262-V303 HydrophobicContact CD1-CG1 4.3Å; L262-L307 HydrophobicContact CD1-CD1 4.26Å
263K97.7Very high96.9Very high56 Ų5650.4 Ų50.424%0.24327%0.266CS..Hα-helixtrans-53-34.2172.5-67.3172.9177.1172.80112.5F259 D260 Y261 D297 E299 T300 V303F259-K263 PolarHBondContact O-N 3.03Å; D260-K263 WeakPolarHBondContact O-CB 3.27Å; D260-K263 WeakPolarHBondContact O-CG 3.24Å; D260-K263 PolarHBondContact O-N 2.79Å; D260-K263 IonicContact OD1-NZ 3.03Å; D260-K263 PolarHBondContact OD1-NZ 2.77Å; Y261-K263 PolarHBondContact O-N 2.79Å; K263-D297 WeakPolarHBondContact CE-OD1 3.44Å; K263-D297 IonicContact NZ-OD1 3.45Å; K263-D297 PolarHBondContact NZ-OD1 2.94Å; K263-D297 IonicContact NZ-OD2 2.78Å; K263-D297 PolarHBondContact NZ-OD2 2.82Å; K263-E299 HydrophobicContact CD-CB 4.14Å; K263-E299 HydrophobicContact CG-CB 4.33Å; K263-T300 WeakPolarHBondContact CE-OG1 3.4Å; K263-V303 HydrophobicContact CB-CG2 4.3Å; K263-V303 HydrophobicContact CG-CG2 3.84Å
264T96.4Very high97Very high121 Ų12147.8 Ų47.874%0.74225%0.252SS*.Hα-helixtrans-115.1-25179.360.80000113.5Y261 L262Y261-T264 PolarHBondContact O-N 3Å; Y261-T264 PolarHBondContact O-OG1 2.94Å; L262-T264 PolarHBondContact O-N 2.85Å; L262-T264 VanDerWaalsContact O-N 3.14Å
265G96Very high97.1Very high11 Ų1148.9 Ų48.911%0.11326%0.255CS..Hα-helixtrans-80.4-19.6-176.400000115.5Y261 V276 D277Y261-G265 PolarHBondContact O-N 2.8Å; G265-V276 WeakPolarHBondContact O-CA 3.15Å; G265-D277 PolarHBondContact O-N 3.42Å
266L97.8Very high97.1Very high25 Ų2548.2 Ų48.213%0.13125%0.251CS..EExtended strand (participates in β ladder)trans-92.8145.5-176.883.684.4000113L262 L274 F275 V276 V303 Q306L262-L266 HydrophobicContact CB-CD2 4.16Å; L262-L266 HydrophobicContact CD2-CB 4.39Å; L262-L266 VanDerWaalsContact O-CD2 3.23Å; L262-L266 WeakPolarHBondContact O-CD2 3.49Å; L262-L266 WeakPolarHBondContact O-CG 2.97Å; L262-L266 PolarHBondContact O-N 3.2Å; L266-L274 HydrophobicContact CB-CD1 4.31Å; L266-F275 CarbonylContact C-O 3.56Å; L266-F275 WeakPolarHBondContact CA-O 3.42Å; L266-V276 HydrophobicContact CB-CG2 4.31Å; L266-V303 HydrophobicContact CD2-CB 4.13Å; L266-V303 HydrophobicContact CD2-CG1 3.67Å; L266-V303 HydrophobicContact CD2-CG2 3.98Å; L266-Q306 HydrophobicContact CD1-CB 3.71Å; L266-Q306 HydrophobicContact CD1-CG 4.05Å; L266-Q306 HydrophobicContact CD2-CB 4.13Å
267K97.9Very high96.9Very high134 Ų13448.7 Ų48.758%0.58326%0.258SS*.EExtended strand (participates in β ladder)trans-142.6147.5169.3-64.8-178.8-177.3171.40110.8F275K267-F275 PolarHBondContact N-O 2.79Å; K267-F275 PolarHBondContact O-N 3.13Å
268L97.2Very high96.8Very high45 Ų4553.8 Ų53.824%0.23629%0.286CS..EExtended strand (participates in β ladder)trans-107.8137.5166.3-59.2-174.3000109.4R273 L274 Q306 Q309L268-R273 VanDerWaalsContact CA-O 3.31Å; L268-R273 WeakPolarHBondContact CA-O 3.49Å; L268-L274 HydrophobicContact CD2-CB 4.06Å; L268-L274 HydrophobicContact CD2-CD1 3.75Å; L268-Q306 VanDerWaalsContact CD1-OE1 3.24Å; L268-Q309 HydrophobicContact CD1-CG 3.68Å
269D95.9Very high96.8Very high41 Ų4156.4 Ų56.422%0.21930%0.296CS..  trans-81.9-178.217081.3-5.4000112N271 S272 R273 F275D269-N271 PolarHBondContact O-N 3.22Å; D269-N271 VanDerWaalsContact O-N 3.12Å; D269-N271 WeakPolarHBondContact OD1-CA 3.4Å; D269-N271 WeakPolarHBondContact OD1-CB 3.08Å; D269-N271 PolarHBondContact OD1-N 2.65Å; D269-S272 PolarHBondContact O-N 3.05Å; D269-S272 PolarHBondContact OD1-N 2.76Å; D269-R273 PolarHBondContact N-O 3.3Å; D269-R273 WeakPolarHBondContact OD1-CB 3.37Å; D269-R273 PolarHBondContact OD1-N 3.5Å; D269-R273 IonicContact OD1-NE 2.82Å; D269-R273 IonicContact OD2-CZ 3.49Å; D269-R273 IonicContact OD2-NE 3.77Å; D269-R273 PolarHBondContact OD2-NE 3.44Å; D269-R273 IonicContact OD2-NH2 3.22Å; D269-R273 PolarHBondContact OD2-NH2 2.85Å; D269-F275 HydrophobicContact CB-CE2 4.01Å
270S94.6Very high96.7Very high113 Ų11356.2 Ų56.279%0.7930%0.295SS*.THydrogen-bonded Turntrans-62.7-16.618058.80000114.4
271N95.1Very high96.8Very high59 Ų5951.9 Ų51.932%0.31627%0.272SS..THydrogen-bonded Turntrans-102.412.4177.1-61-69.7000111.8L217 D269 R273 L311L217-N271 HydrophobicContact CD1-CB 4.05Å; L217-N271 HydrophobicContact CD2-CB 4.18Å; D269-N271 PolarHBondContact O-N 3.22Å; D269-N271 VanDerWaalsContact O-N 3.12Å; D269-N271 WeakPolarHBondContact OD1-CA 3.4Å; D269-N271 WeakPolarHBondContact OD1-CB 3.08Å; D269-N271 PolarHBondContact OD1-N 2.65Å; N271-R273 HydrophobicContact CB-CG 4.41Å; N271-R273 PolarHBondContact O-N 2.81Å; N271-L311 WeakPolarHBondContact O-CD1 3.49Å; N271-L311 WeakPolarHBondContact O-CG 3.44Å
272S96.2Very high96.9Very high25 Ų2547.4 Ų47.418%0.17526%0.255CS..  trans63.319.6-174.7-54.40000114.5D269 S310 L311D269-S272 PolarHBondContact O-N 3.05Å; D269-S272 PolarHBondContact OD1-N 2.76Å; S272-S310 CarbonylContact O-C 3.5Å; S272-S310 VanDerWaalsContact O-CA 3.28Å; S272-S310 WeakPolarHBondContact O-CA 3.4Å; S272-L311 PolarHBondContact O-N 3.04Å
273R97.3Very high96.9Very high39 Ų3947.4 Ų47.415%0.14726%0.255CS..  trans-71137.5171.3-61.5-172.9-60.5161.8-4109.9L217 I218 L268 D269 N271 F275 E280 L311L217-R273 HydrophobicContact CD1-CG 4.32Å; I218-R273 PolarHBondContact O-NH1 3.35Å; I218-R273 VanDerWaalsContact O-NH1 3.16Å; L268-R273 VanDerWaalsContact CA-O 3.31Å; L268-R273 WeakPolarHBondContact CA-O 3.49Å; D269-R273 PolarHBondContact N-O 3.3Å; D269-R273 WeakPolarHBondContact OD1-CB 3.37Å; D269-R273 PolarHBondContact OD1-N 3.5Å; D269-R273 IonicContact OD1-NE 2.82Å; D269-R273 IonicContact OD2-CZ 3.49Å; D269-R273 IonicContact OD2-NE 3.77Å; D269-R273 PolarHBondContact OD2-NE 3.44Å; D269-R273 IonicContact OD2-NH2 3.22Å; D269-R273 PolarHBondContact OD2-NH2 2.85Å; N271-R273 HydrophobicContact CB-CG 4.41Å; N271-R273 PolarHBondContact O-N 2.81Å; R273-F275 HydrophobicContact CB-CE2 3.82Å; R273-F275 HydrophobicContact CB-CZ 4.47Å; R273-F275 WeakPolarHBondContact O-CD2 3.38Å; R273-E280 VanDerWaalsContact CD-OE1 3.29Å; R273-E280 WeakPolarHBondContact CD-OE1 3.26Å; R273-E280 IonicContact CZ-OE1 3.67Å; R273-E280 IonicContact NE-OE1 2.73Å; R273-E280 IonicContact NH1-OE1 2.83Å; R273-E280 PolarHBondContact NH1-OE1 2.96Å; R273-E280 IonicContact NH1-OE2 3.6Å; R273-L311 HydrophobicContact CG-CD1 3.9Å
274L98.2Very high97Very high0 Ų044.8 Ų44.80%024%0.243CC..EExtended strand (participates in β ladder)trans-88.5131.5-177.217962.8000111L225 L266 L268 E280 V281 V284 L307 A312L225-L274 HydrophobicContact CD2-CD2 4.45Å; L266-L274 HydrophobicContact CB-CD1 4.31Å; L268-L274 HydrophobicContact CD2-CB 4.06Å; L268-L274 HydrophobicContact CD2-CD1 3.75Å; L274-E280 WeakPolarHBondContact O-CA 3.44Å; L274-V281 HydrophobicContact CB-CB 4.15Å; L274-V281 HydrophobicContact CD2-CB 3.81Å; L274-V281 HydrophobicContact CD2-CG1 3.83Å; L274-V281 HydrophobicContact CD2-CG2 4.27Å; L274-V281 HydrophobicContact CG-CB 3.89Å; L274-V281 HydrophobicContact CG-CG1 4.46Å; L274-V281 HydrophobicContact CG-CG2 4.17Å; L274-V281 PolarHBondContact O-N 3.41Å; L274-V284 HydrophobicContact CD2-CG2 3.59Å; L274-L307 HydrophobicContact CD1-CD2 4.22Å; L274-L307 HydrophobicContact CD2-CD2 3.63Å; L274-A312 HydrophobicContact CB-CB 4.31Å; L274-A312 HydrophobicContact CD2-CB 4.15Å
275F98.2Very high97.1Very high46 Ų4639.2 Ų39.220%0.20221%0.209CC..EExtended strand (participates in β ladder)trans-124.5135.3171.3-64.9-95.6000109.8L266 K267 D269 R273 Q279 E280L266-F275 CarbonylContact C-O 3.56Å; L266-F275 WeakPolarHBondContact CA-O 3.42Å; K267-F275 PolarHBondContact N-O 2.79Å; K267-F275 PolarHBondContact O-N 3.13Å; D269-F275 HydrophobicContact CB-CE2 4.01Å; R273-F275 HydrophobicContact CB-CE2 3.82Å; R273-F275 HydrophobicContact CB-CZ 4.47Å; R273-F275 WeakPolarHBondContact O-CD2 3.38Å; F275-Q279 VanDerWaalsContact CA-O 3.27Å; F275-Q279 WeakPolarHBondContact CA-O 3.47Å; F275-E280 HydrophobicContact CD1-CB 4.07Å; F275-E280 HydrophobicContact CE1-CB 3.66Å; F275-E280 HydrophobicContact CE1-CG 4.12Å; F275-E280 HydrophobicContact CZ-CB 4.25Å; F275-E280 HydrophobicContact CZ-CG 4.2Å
276V98.1Very high97.2Very high0 Ų038.7 Ų38.70%020%0.203CC..EExtended strand (participates in β ladder)trans-125.1124.6168.6177.30000107.6L225 L255 Y261 L262 G265 L266 N278 Q279 V281L225-V276 HydrophobicContact CD1-CG2 4.47Å; L225-V276 HydrophobicContact CD2-CG2 3.96Å; L255-V276 HydrophobicContact CD1-CB 3.93Å; L255-V276 HydrophobicContact CD1-CG1 4.16Å; Y261-V276 HydrophobicContact CE1-CG1 4.43Å; L262-V276 HydrophobicContact CD2-CG1 3.92Å; L262-V276 HydrophobicContact CD2-CG2 3.75Å; G265-V276 WeakPolarHBondContact O-CA 3.15Å; L266-V276 HydrophobicContact CB-CG2 4.31Å; V276-N278 PolarHBondContact O-N 2.93Å; V276-Q279 PolarHBondContact N-O 3.18Å; V276-Q279 WeakPolarHBondContact O-CB 3.33Å; V276-Q279 PolarHBondContact O-N 3.03Å; V276-V281 HydrophobicContact CB-CG2 4.26Å; V276-V281 HydrophobicContact CG2-CG2 4.05Å
277D93.6Very high97.2Very high64 Ų6437.7 Ų37.734%0.34220%0.198SC..THydrogen-bonded Turntrans52.239.9-174.2-56.9-33.2000113.1H257 Y261 G265 Q279H257-D277 IonicContact CE1-OD2 3.5Å; H257-D277 IonicContact NE2-OD2 3.04Å; H257-D277 PolarHBondContact NE2-OD2 2.9Å; Y261-D277 PolarHBondContact OH-OD1 2.83Å; Y261-D277 PolarHBondContact OH-OD2 3.03Å; G265-D277 PolarHBondContact O-N 3.42Å; D277-Q279 PolarHBondContact O-N 3.46Å
278N94.5Very high97.1Very high139 Ų13932.3 Ų32.374%0.74318%0.176SC*.THydrogen-bonded Turntrans6313.3-174.6-51.5-51.3000115.4V276V276-N278 PolarHBondContact O-N 2.93Å
279Q97Very high97Very high73 Ų7330.1 Ų30.134%0.34117%0.165SC..EExtended strand (participates in β ladder)trans-100.9126.8175.7-61.3179.686.300110N253 L255 F275 V276 D277 V281N253-Q279 PolarHBondContact ND2-OE1 3.19Å; L255-Q279 HydrophobicContact CD1-CB 4.31Å; F275-Q279 VanDerWaalsContact CA-O 3.27Å; F275-Q279 WeakPolarHBondContact CA-O 3.47Å; V276-Q279 PolarHBondContact N-O 3.18Å; V276-Q279 WeakPolarHBondContact O-CB 3.33Å; V276-Q279 PolarHBondContact O-N 3.03Å; D277-Q279 PolarHBondContact O-N 3.46Å; Q279-V281 PolarHBondContact O-N 3.41Å
280E97.8Very high96.9Very high5 Ų531.7 Ų31.72%0.02317%0.168CC..EExtended strand (participates in β ladder)trans-67.5127.3-179.7-172.1168.5-158.100110Y208 I222 S223 R273 L274 F275Y208-E280 HydrophobicContact CE1-CG 4.48Å; Y208-E280 PolarHBondContact OH-OE1 2.94Å; I222-E280 CarbonylContact C-O 3.51Å; I222-E280 WeakPolarHBondContact CA-O 3.39Å; S223-E280 WeakPolarHBondContact CB-O 3Å; S223-E280 PolarHBondContact N-O 3.26Å; R273-E280 VanDerWaalsContact CD-OE1 3.29Å; R273-E280 WeakPolarHBondContact CD-OE1 3.26Å; R273-E280 IonicContact CZ-OE1 3.67Å; R273-E280 IonicContact NE-OE1 2.73Å; R273-E280 IonicContact NH1-OE1 2.83Å; R273-E280 PolarHBondContact NH1-OE1 2.96Å; R273-E280 IonicContact NH1-OE2 3.6Å; L274-E280 WeakPolarHBondContact O-CA 3.44Å; F275-E280 HydrophobicContact CD1-CB 4.07Å; F275-E280 HydrophobicContact CE1-CB 3.66Å; F275-E280 HydrophobicContact CE1-CG 4.12Å; F275-E280 HydrophobicContact CZ-CB 4.25Å; F275-E280 HydrophobicContact CZ-CG 4.2Å
281V98.6Very high96.9Very high0 Ų028.2 Ų28.20%014%0.142CC..EExtended strand (participates in β ladder)trans-102.5117.8-177.4178.20000109.5S223 L225 L255 L274 V276 Q279 V283 V284 A312S223-V281 CarbonylContact O-C 3.53Å; S223-V281 WeakPolarHBondContact O-CA 2.89Å; L225-V281 HydrophobicContact CB-CG1 3.62Å; L225-V281 HydrophobicContact CB-CG2 4.18Å; L255-V281 HydrophobicContact CD1-CG2 4.43Å; L274-V281 HydrophobicContact CB-CB 4.15Å; L274-V281 HydrophobicContact CD2-CB 3.81Å; L274-V281 HydrophobicContact CD2-CG1 3.83Å; L274-V281 HydrophobicContact CD2-CG2 4.27Å; L274-V281 HydrophobicContact CG-CB 3.89Å; L274-V281 HydrophobicContact CG-CG1 4.46Å; L274-V281 HydrophobicContact CG-CG2 4.17Å; L274-V281 PolarHBondContact O-N 3.41Å; V276-V281 HydrophobicContact CB-CG2 4.26Å; V276-V281 HydrophobicContact CG2-CG2 4.05Å; Q279-V281 PolarHBondContact O-N 3.41Å; V281-V283 VanDerWaalsContact CG1-O 3.32Å; V281-V283 WeakPolarHBondContact CG1-O 3.39Å; V281-V284 HydrophobicContact CG1-CG2 4.05Å; V281-A312 HydrophobicContact CG1-CB 4.33Å; V281-A312 WeakPolarHBondContact O-CB 3.47Å
282A98.6Very high96.8Very high0 Ų027.6 Ų27.60%014%0.141CC..EExtended strand (participates in β ladder)trans-85.9-36175.700000112.5Y208 I222 S223 A312 I313Y208-A282 HydrophobicContact CD1-CB 3.32Å; Y208-A282 HydrophobicContact CD2-CB 4.41Å; Y208-A282 HydrophobicContact CE1-CB 3.91Å; Y208-A282 HydrophobicContact CG-CB 3.61Å; I222-A282 HydrophobicContact CB-CB 3.85Å; I222-A282 HydrophobicContact CD1-CB 3.88Å; I222-A282 HydrophobicContact CG1-CB 4.42Å; I222-A282 HydrophobicContact CG2-CB 4.16Å; S223-A282 PolarHBondContact O-N 3.08Å; A282-A312 WeakPolarHBondContact O-CA 3.19Å; A282-I313 PolarHBondContact O-N 3.44Å
283V98.8Very high96.6Very high0 Ų033.4 Ų33.40%017%0.17CC..EExtended strand (participates in β ladder)trans-134.5132.4-175.8-1790000110.2L201 A204 I224 L225 V281 I313L201-V283 HydrophobicContact CD2-CG1 4.06Å; A204-V283 HydrophobicContact CB-CG2 3.75Å; I224-V283 CarbonylContact C-O 3.47Å; I224-V283 WeakPolarHBondContact CA-O 3.34Å; I224-V283 HydrophobicContact CG1-CB 4.32Å; I224-V283 HydrophobicContact CG2-CB 4.32Å; I224-V283 HydrophobicContact CG2-CG1 4.46Å; L225-V283 PolarHBondContact N-O 2.79Å; V281-V283 VanDerWaalsContact CG1-O 3.32Å; V281-V283 WeakPolarHBondContact CG1-O 3.39Å; V283-I313 CarbonylContact C-O 3.44Å; V283-I313 VanDerWaalsContact CA-O 3.28Å; V283-I313 WeakPolarHBondContact CA-O 3.36Å; V283-I313 HydrophobicContact CG2-CB 4.49Å
284V98.9Very high96.5Very high0 Ų032.4 Ų32.40%017%0.17CC..EExtended strand (participates in β ladder)trans-104.3110.6169.3-177.20000108.4L225 V227 L274 V281 F286 L307 A312 I313 K314 C315L225-V284 HydrophobicContact CD2-CG1 4.44Å; L225-V284 HydrophobicContact CD2-CG2 4.43Å; L225-V284 CarbonylContact O-C 3.42Å; L225-V284 WeakPolarHBondContact O-CA 3.43Å; V227-V284 HydrophobicContact CG2-CG1 3.73Å; L274-V284 HydrophobicContact CD2-CG2 3.59Å; V281-V284 HydrophobicContact CG1-CG2 4.05Å; V284-F286 HydrophobicContact CB-CE2 4.36Å; V284-F286 HydrophobicContact CG1-CD1 4.38Å; V284-F286 HydrophobicContact CG1-CD2 4.18Å; V284-F286 HydrophobicContact CG1-CE1 3.91Å; V284-F286 HydrophobicContact CG1-CE2 3.69Å; V284-F286 HydrophobicContact CG1-CZ 3.53Å; V284-L307 HydrophobicContact CG1-CD1 4.31Å; V284-L307 HydrophobicContact CG1-CD2 4.38Å; V284-L307 HydrophobicContact CG2-CD2 4.19Å; V284-A312 HydrophobicContact CG2-CB 3.87Å; V284-I313 PolarHBondContact N-O 3.22Å; V284-K314 HydrophobicContact CB-CG 4.48Å; V284-C315 PolarHBondContact O-N 2.78Å
285Y98.8Very high96.4Very high5 Ų533 Ų332%0.0217%0.173CC..EExtended strand (participates in β ladder)trans-101.4106.1177.9-179.6-148.8000110.6L100 L201 L225 V226 V227 L241 R287 C315L100-Y285 HydrophobicContact CD1-CE2 4.03Å; L201-Y285 HydrophobicContact CD2-CG 4.45Å; L225-Y285 PolarHBondContact O-N 3.07Å; V226-Y285 CarbonylContact C-O 3.51Å; V226-Y285 WeakPolarHBondContact CA-O 3.4Å; V226-Y285 HydrophobicContact CG1-CD1 4.08Å; V226-Y285 HydrophobicContact CG2-CD1 4.22Å; V227-Y285 PolarHBondContact N-O 3.24Å; L241-Y285 HydrophobicContact CD2-CE1 3.79Å; Y285-R287 HydrophobicContact CD1-CG 4.39Å; Y285-R287 HydrophobicContact CE1-CG 4.11Å; Y285-R287 VanDerWaalsContact CZ-CD 3.42Å; Y285-R287 PolarHBondContact O-N 3.02Å; Y285-R287 WeakPolarHBondContact OH-CD 3.01Å; Y285-C315 HydrophobicContact CD2-CB 4.08Å
286F98.5Very high96.3Very high0 Ų035.6 Ų35.60%020%0.195CC..EExtended strand (participates in β ladder)trans-81110.9-178.9-66.8-78.2000111.2I156 A157 V227 F259 V284 K304 L307 K314 C315 P316I156-F286 HydrophobicContact CD1-CB 4.02Å; I156-F286 HydrophobicContact CG1-CB 4.3Å; A157-F286 PolarHBondContact N-O 2.88Å; V227-F286 HydrophobicContact CB-CD1 3.94Å; V227-F286 HydrophobicContact CB-CE1 4.42Å; V227-F286 HydrophobicContact CG1-CD1 4.32Å; V227-F286 HydrophobicContact CG2-CD1 3.98Å; V227-F286 HydrophobicContact CG2-CE1 4.03Å; F259-F286 HydrophobicContact CE1-CE1 4.32Å; F259-F286 HydrophobicContact CZ-CD1 4.27Å; F259-F286 HydrophobicContact CZ-CE1 4.12Å; V284-F286 HydrophobicContact CB-CE2 4.36Å; V284-F286 HydrophobicContact CG1-CD1 4.38Å; V284-F286 HydrophobicContact CG1-CD2 4.18Å; V284-F286 HydrophobicContact CG1-CE1 3.91Å; V284-F286 HydrophobicContact CG1-CE2 3.69Å; V284-F286 HydrophobicContact CG1-CZ 3.53Å; F286-K304 HydrophobicContact CE1-CD 4.04Å; F286-K304 HydrophobicContact CZ-CD 4Å; F286-K304 VanDerWaalsContact CZ-NZ 3.28Å; F286-L307 HydrophobicContact CE1-CD1 3.7Å; F286-L307 HydrophobicContact CZ-CB 4.11Å; F286-L307 HydrophobicContact CZ-CD1 3.93Å; F286-K314 HydrophobicContact CE2-CB 4.24Å; F286-K314 HydrophobicContact CE2-CG 3.93Å; F286-C315 PolarHBondContact N-O 2.8Å; F286-P316 WeakPolarHBondContact CD2-O 3.34Å
287R97.1Very high96.3Very high3 Ų338.2 Ų38.21%0.01121%0.209CC..SBendtrans-97.2-3.3166.6-65.2-60.6-57.7-114.3-1112.9A157 S159 V226 V227 V228 D237 Y285A157-R287 WeakPolarHBondContact CB-O 3.24Å; S159-R287 PolarHBondContact OG-NH2 2.92Å; V226-R287 HydrophobicContact CG1-CB 4.43Å; V226-R287 HydrophobicContact CG1-CG 3.6Å; V227-R287 WeakPolarHBondContact O-CA 3.35Å; V227-R287 WeakPolarHBondContact O-CB 3.46Å; V227-R287 PolarHBondContact O-N 2.92Å; V228-R287 HydrophobicContact CG1-CB 4.34Å; D237-R287 IonicContact OD2-CZ 2.59Å; D237-R287 IonicContact OD2-NH1 3.93Å; D237-R287 IonicContact OD2-NH2 3.66Å; D237-R287 PolarHBondContact OD2-NH2 3.21Å; D237-R287 VanDerWaalsContact OD2-NH2 3.16Å; Y285-R287 HydrophobicContact CD1-CG 4.39Å; Y285-R287 HydrophobicContact CE1-CG 4.11Å; Y285-R287 VanDerWaalsContact CZ-CD 3.42Å; Y285-R287 PolarHBondContact O-N 3.02Å; Y285-R287 WeakPolarHBondContact OH-CD 3.01Å
288T95.9Very high96.5Very high21 Ų2141.9 Ų41.913%0.12923%0.228CC..SBendtrans-143.5-178.1174.5-1700000109.9V227 V228 F259V227-T288 HydrophobicContact CG1-CG2 3.94Å; V227-T288 PolarHBondContact O-N 3.36Å; V228-T288 VanDerWaalsContact C-CG2 3.44Å; F259-T288 HydrophobicContact CD2-CG2 4.05Å; F259-T288 HydrophobicContact CE2-CG2 3.83Å
289G95.7Very high96.6Very high0 Ų041.3 Ų41.30%022%0.221CC..  trans90.718-179.400000114.5Y76 F295 M321Y76-G289 PolarHBondContact OH-O 3.39Å; G289-F295 WeakPolarHBondContact O-CE2 3.23Å; G289-M321 WeakPolarHBondContact O-CE 3.48Å
290Y94.1Very high96.7Very high74 Ų7438 Ų3829%0.2921%0.206SC..SBendtrans-103.81.6176.457.8-93.5000113.6Y76 I156 A157 E395Y76-Y290 VanDerWaalsContact OH-C 3.22Å; Y76-Y290 WeakPolarHBondContact OH-CA 3.39Å; Y76-Y290 PolarHBondContact OH-O 3.3Å; I156-Y290 HydrophobicContact CG1-CD1 4.19Å; I156-Y290 HydrophobicContact CG2-CD1 4.35Å; I156-Y290 HydrophobicContact CG2-CG 4.11Å; A157-Y290 HydrophobicContact CB-CD1 3.79Å; A157-Y290 HydrophobicContact CB-CE1 3.49Å; A157-Y290 VanDerWaalsContact CB-CE1 3.49Å; Y290-E395 HydrophobicContact CD2-CB 4.09Å
291T93.3Very high96.7Very high39 Ų3939.6 Ų39.624%0.23921%0.211CC..SBendtrans-126.4154.9175.360.30000111D293 A294T291-D293 VanDerWaalsContact C-N 3.26Å; T291-D293 PolarHBondContact O-N 3.35Å; T291-A294 WeakPolarHBondContact O-CB 3.32Å; T291-A294 PolarHBondContact O-N 3.46Å; T291-A294 VanDerWaalsContact O-N 3.17Å
292P93.5Very high96.7Very high46 Ų4643.3 Ų43.330%0.29923%0.231SC..G310 helixtrans-57.1-36.6175.3-24.433.6000113.5Y76 A294 F295Y76-P292 HydrophobicContact CD1-CG 4.48Å; Y76-P292 HydrophobicContact CD2-CB 4.35Å; Y76-P292 HydrophobicContact CD2-CG 4.17Å; Y76-P292 HydrophobicContact CG-CB 4.49Å; Y76-P292 HydrophobicContact CG-CG 3.92Å; P292-A294 PolarHBondContact O-N 3.21Å; P292-A294 VanDerWaalsContact O-N 3.09Å; P292-F295 PolarHBondContact O-N 2.88Å
293D93.1Very high96.7Very high148 Ų14843.4 Ų43.479%0.79123%0.232SC*.G310 helixtrans-63-17.4-179.7-59-34000113.7T291 F295T291-D293 VanDerWaalsContact C-N 3.26Å; T291-D293 PolarHBondContact O-N 3.35Å; D293-F295 PolarHBondContact O-N 3.12Å
294A94.8Very high96.6Very high17 Ų1743.5 Ų43.514%0.1423%0.232CC..G310 helixtrans-73.4-10.9172.800000113F259 T291 P292 T300F259-A294 HydrophobicContact CE2-CB 4.49Å; T291-A294 WeakPolarHBondContact O-CB 3.32Å; T291-A294 PolarHBondContact O-N 3.46Å; T291-A294 VanDerWaalsContact O-N 3.17Å; P292-A294 PolarHBondContact O-N 3.21Å; P292-A294 VanDerWaalsContact O-N 3.09Å; A294-T300 WeakPolarHBondContact O-CG2 3.35Å
295F96.6Very high96.6Very high12 Ų1244.2 Ų44.25%0.05324%0.235CC..  trans-128.269.3-176.4-56.4-81.9000111.9Y76 F259 G289 P292 D293 D297 T300 W301 K304Y76-F295 HydrophobicContact CD2-CD2 4.41Å; Y76-F295 AromaticContact CE2-CD2 3.95Å; Y76-F295 HydrophobicContact CE2-CD2 3.95Å; Y76-F295 AromaticContact CE2-CE2 3.92Å; Y76-F295 HydrophobicContact CE2-CE2 3.92Å; F259-F295 HydrophobicContact CE1-CE1 4.1Å; F259-F295 HydrophobicContact CE2-CE1 4.1Å; F259-F295 HydrophobicContact CE2-CZ 4.02Å; F259-F295 AromaticContact CZ-CE1 3.84Å; F259-F295 HydrophobicContact CZ-CE1 3.84Å; F259-F295 AromaticContact CZ-CZ 3.84Å; F259-F295 HydrophobicContact CZ-CZ 3.84Å; G289-F295 WeakPolarHBondContact O-CE2 3.23Å; P292-F295 PolarHBondContact O-N 2.88Å; D293-F295 PolarHBondContact O-N 3.12Å; F295-D297 PolarHBondContact O-N 2.9Å; F295-T300 HydrophobicContact CB-CG2 4.49Å; F295-T300 HydrophobicContact CD1-CG2 3.68Å; F295-T300 HydrophobicContact CE1-CG2 4.26Å; F295-T300 HydrophobicContact CG-CG2 4.41Å; F295-W301 HydrophobicContact CB-CD2 4Å; F295-W301 VanDerWaalsContact CB-CE2 3.42Å; F295-W301 HydrophobicContact CB-CG 4.32Å; F295-W301 HydrophobicContact CB-CH2 4.47Å; F295-W301 HydrophobicContact CB-CZ2 3.7Å; F295-W301 AromaticContact CD1-CD2 3.78Å; F295-W301 HydrophobicContact CD1-CD2 3.78Å; F295-W301 AromaticContact CD1-CE3 3.84Å; F295-W301 HydrophobicContact CD1-CE3 3.84Å; F295-W301 HydrophobicContact CD1-CG 4.26Å; F295-W301 HydrophobicContact CD1-CH2 4.4Å; F295-W301 HydrophobicContact CD1-CZ2 4.34Å; F295-W301 HydrophobicContact CD1-CZ3 4.16Å; F295-W301 AromaticContact CD2-CH2 3.87Å; F295-W301 HydrophobicContact CD2-CH2 3.87Å; F295-W301 AromaticContact CD2-CZ2 3.87Å; F295-W301 HydrophobicContact CD2-CZ2 3.87Å; F295-W301 HydrophobicContact CD2-CZ3 4.31Å; F295-W301 HydrophobicContact CE1-CE3 4.17Å; F295-W301 HydrophobicContact CE1-CZ3 4.29Å; F295-W301 HydrophobicContact CE2-CH2 4.2Å; F295-W301 HydrophobicContact CE2-CZ3 4.37Å; F295-W301 AromaticContact CG-CD2 3.93Å; F295-W301 HydrophobicContact CG-CD2 3.93Å; F295-W301 AromaticContact CG-CE2 3.67Å; F295-W301 HydrophobicContact CG-CE3 4.18Å; F295-W301 AromaticContact CG-CH2 3.98Å; F295-W301 HydrophobicContact CG-CH2 3.98Å; F295-W301 AromaticContact CG-CZ2 3.7Å; F295-W301 HydrophobicContact CG-CZ2 3.7Å; F295-W301 HydrophobicContact CG-CZ3 4.21Å; F295-W301 HydrophobicContact CZ-CZ3 4.37Å; F295-K304 HydrophobicContact CE1-CB 3.76Å; F295-K304 HydrophobicContact CE1-CG 4.15Å; F295-K304 HydrophobicContact CZ-CB 4.41Å; F295-K304 HydrophobicContact CZ-CG 4.34Å
296P95.5Very high96.6Very high102 Ų10246 Ų4666%0.66224%0.244SC*.  trans-71.1-17.2-176.830.2-36.7000114.1
297D97Very high96.5Very high55 Ų5546 Ų4629%0.29424%0.244SC..SBendtrans-150.2163.6-173.255.148.8000112.7K263 F295 E299 T300 W301K263-D297 WeakPolarHBondContact CE-OD1 3.44Å; K263-D297 IonicContact NZ-OD1 3.45Å; K263-D297 PolarHBondContact NZ-OD1 2.94Å; K263-D297 IonicContact NZ-OD2 2.78Å; K263-D297 PolarHBondContact NZ-OD2 2.82Å; F295-D297 PolarHBondContact O-N 2.9Å; D297-E299 PolarHBondContact O-N 2.8Å; D297-E299 PolarHBondContact OD1-N 2.89Å; D297-T300 WeakPolarHBondContact O-CB 3.43Å; D297-T300 PolarHBondContact O-N 2.68Å; D297-T300 VanDerWaalsContact OD1-CB 3.26Å; D297-T300 WeakPolarHBondContact OD1-CB 3.29Å; D297-T300 PolarHBondContact OD1-N 2.91Å; D297-T300 PolarHBondContact OD1-OG1 3.21Å; D297-W301 PolarHBondContact O-N 2.86Å
298D97.6Very high96.6Very high141 Ų14146 Ų4675%0.75424%0.244SC*.Hα-helixtrans-64.4-27.9179.2-73.2-21.4000112.7T300 W301 N302D298-T300 VanDerWaalsContact C-N 3.32Å; D298-W301 PolarHBondContact O-N 3.14Å; D298-N302 WeakPolarHBondContact O-CB 3.36Å; D298-N302 PolarHBondContact O-N 3.34Å
299E98Very high96.6Very high127 Ų12745.8 Ų45.859%0.59324%0.241SC*.Hα-helixtrans-64.2-40175.4-67.8-177.7-166.100111K263 D297 N302 V303K263-E299 HydrophobicContact CD-CB 4.14Å; K263-E299 HydrophobicContact CG-CB 4.33Å; D297-E299 PolarHBondContact O-N 2.8Å; D297-E299 PolarHBondContact OD1-N 2.89Å; E299-N302 WeakPolarHBondContact O-CB 3.37Å; E299-N302 PolarHBondContact O-N 2.64Å; E299-V303 WeakPolarHBondContact O-CG2 3.25Å; E299-V303 PolarHBondContact O-N 3.43Å
300T98Very high96.7Very high3 Ų345.8 Ų45.82%0.01824%0.241CC..Hα-helixtrans-68-39.9176.4-55.10000111.3F259 K263 A294 F295 D297 D298 N302 V303 K304F259-T300 HydrophobicContact CB-CG2 3.52Å; F259-T300 HydrophobicContact CD1-CG2 4.13Å; F259-T300 HydrophobicContact CD2-CG2 4.3Å; F259-T300 HydrophobicContact CG-CG2 3.75Å; K263-T300 WeakPolarHBondContact CE-OG1 3.4Å; A294-T300 WeakPolarHBondContact O-CG2 3.35Å; F295-T300 HydrophobicContact CB-CG2 4.49Å; F295-T300 HydrophobicContact CD1-CG2 3.68Å; F295-T300 HydrophobicContact CE1-CG2 4.26Å; F295-T300 HydrophobicContact CG-CG2 4.41Å; D297-T300 WeakPolarHBondContact O-CB 3.43Å; D297-T300 PolarHBondContact O-N 2.68Å; D297-T300 VanDerWaalsContact OD1-CB 3.26Å; D297-T300 WeakPolarHBondContact OD1-CB 3.29Å; D297-T300 PolarHBondContact OD1-N 2.91Å; D297-T300 PolarHBondContact OD1-OG1 3.21Å; D298-T300 VanDerWaalsContact C-N 3.32Å; T300-N302 VanDerWaalsContact C-N 3.32Å; T300-N302 PolarHBondContact O-N 3Å; T300-V303 WeakPolarHBondContact O-CB 3.46Å; T300-V303 PolarHBondContact O-N 3.37Å; T300-K304 PolarHBondContact O-N 3.14Å; T300-K304 VanDerWaalsContact O-N 3.07Å
301W98.1Very high96.9Very high38 Ų3842.3 Ų42.314%0.14423%0.228CC..Hα-helixtrans-62-39.7170.2-79.3113.7000112.3Y76 L80 I83 F295 D297 D298 K304 Y305Y76-W301 AromaticContact CD2-CH2 3.71Å; Y76-W301 HydrophobicContact CD2-CH2 3.71Å; Y76-W301 AromaticContact CD2-CZ2 3.92Å; Y76-W301 HydrophobicContact CD2-CZ2 3.92Å; Y76-W301 AromaticContact CE2-CH2 3.91Å; Y76-W301 HydrophobicContact CE2-CH2 3.91Å; Y76-W301 HydrophobicContact CE2-CZ2 4.46Å; L80-W301 HydrophobicContact CD2-CH2 4.13Å; L80-W301 HydrophobicContact CD2-CZ3 3.87Å; L80-W301 HydrophobicContact CG-CH2 4.29Å; L80-W301 HydrophobicContact CG-CZ3 4.37Å; I83-W301 HydrophobicContact CD1-CE3 3.77Å; I83-W301 HydrophobicContact CD1-CZ3 4.2Å; F295-W301 HydrophobicContact CB-CD2 4Å; F295-W301 VanDerWaalsContact CB-CE2 3.42Å; F295-W301 HydrophobicContact CB-CG 4.32Å; F295-W301 HydrophobicContact CB-CH2 4.47Å; F295-W301 HydrophobicContact CB-CZ2 3.7Å; F295-W301 AromaticContact CD1-CD2 3.78Å; F295-W301 HydrophobicContact CD1-CD2 3.78Å; F295-W301 AromaticContact CD1-CE3 3.84Å; F295-W301 HydrophobicContact CD1-CE3 3.84Å; F295-W301 HydrophobicContact CD1-CG 4.26Å; F295-W301 HydrophobicContact CD1-CH2 4.4Å; F295-W301 HydrophobicContact CD1-CZ2 4.34Å; F295-W301 HydrophobicContact CD1-CZ3 4.16Å; F295-W301 AromaticContact CD2-CH2 3.87Å; F295-W301 HydrophobicContact CD2-CH2 3.87Å; F295-W301 AromaticContact CD2-CZ2 3.87Å; F295-W301 HydrophobicContact CD2-CZ2 3.87Å; F295-W301 HydrophobicContact CD2-CZ3 4.31Å; F295-W301 HydrophobicContact CE1-CE3 4.17Å; F295-W301 HydrophobicContact CE1-CZ3 4.29Å; F295-W301 HydrophobicContact CE2-CH2 4.2Å; F295-W301 HydrophobicContact CE2-CZ3 4.37Å; F295-W301 AromaticContact CG-CD2 3.93Å; F295-W301 HydrophobicContact CG-CD2 3.93Å; F295-W301 AromaticContact CG-CE2 3.67Å; F295-W301 HydrophobicContact CG-CE3 4.18Å; F295-W301 AromaticContact CG-CH2 3.98Å; F295-W301 HydrophobicContact CG-CH2 3.98Å; F295-W301 AromaticContact CG-CZ2 3.7Å; F295-W301 HydrophobicContact CG-CZ2 3.7Å; F295-W301 HydrophobicContact CG-CZ3 4.21Å; F295-W301 HydrophobicContact CZ-CZ3 4.37Å; D297-W301 PolarHBondContact O-N 2.86Å; D298-W301 PolarHBondContact O-N 3.14Å; W301-K304 PolarHBondContact O-N 3.36Å; W301-Y305 PolarHBondContact O-N 2.96Å
302N98.3Very high97.1Very high78 Ų7840.5 Ų40.542%0.41722%0.217SC..Hα-helixtrans-63.2-41173.8-179.959.4000111.2D298 E299 T300 K304 Y305 Q306D298-N302 WeakPolarHBondContact O-CB 3.36Å; D298-N302 PolarHBondContact O-N 3.34Å; E299-N302 WeakPolarHBondContact O-CB 3.37Å; E299-N302 PolarHBondContact O-N 2.64Å; T300-N302 VanDerWaalsContact C-N 3.32Å; T300-N302 PolarHBondContact O-N 3Å; N302-K304 VanDerWaalsContact C-N 3.35Å; N302-K304 PolarHBondContact O-N 2.88Å; N302-Y305 WeakPolarHBondContact O-CB 3.27Å; N302-Y305 PolarHBondContact O-N 2.91Å; N302-Y305 VanDerWaalsContact O-N 3.17Å; N302-Q306 VanDerWaalsContact O-CG 3.23Å; N302-Q306 WeakPolarHBondContact O-CG 3.41Å; N302-Q306 PolarHBondContact O-N 3.44Å; N302-Q306 PolarHBondContact OD1-NE2 3.11Å
303V98.5Very high97.4Very high3 Ų338.3 Ų38.32%0.01820%0.202CC..Hα-helixtrans-55.6-49.2172.4170.10000111F259 L262 K263 L266 E299 T300 Y305 Q306 L307F259-V303 HydrophobicContact CD1-CB 4.23Å; F259-V303 HydrophobicContact CD1-CG1 3.63Å; F259-V303 HydrophobicContact CE1-CG1 4.23Å; L262-V303 HydrophobicContact CB-CG1 3.68Å; L262-V303 HydrophobicContact CB-CG2 4.47Å; L262-V303 HydrophobicContact CD1-CG1 4.3Å; K263-V303 HydrophobicContact CB-CG2 4.3Å; K263-V303 HydrophobicContact CG-CG2 3.84Å; L266-V303 HydrophobicContact CD2-CB 4.13Å; L266-V303 HydrophobicContact CD2-CG1 3.67Å; L266-V303 HydrophobicContact CD2-CG2 3.98Å; E299-V303 WeakPolarHBondContact O-CG2 3.25Å; E299-V303 PolarHBondContact O-N 3.43Å; T300-V303 WeakPolarHBondContact O-CB 3.46Å; T300-V303 PolarHBondContact O-N 3.37Å; V303-Y305 VanDerWaalsContact C-N 3.32Å; V303-Y305 PolarHBondContact O-N 2.9Å; V303-Q306 PolarHBondContact O-N 2.93Å; V303-Q306 VanDerWaalsContact O-N 3.15Å; V303-L307 HydrophobicContact CG1-CD1 4.04Å; V303-L307 HydrophobicContact CG1-CG 4.35Å; V303-L307 WeakPolarHBondContact O-CG 3.36Å; V303-L307 PolarHBondContact O-N 2.89Å
304K98.3Very high97.6Very high1 Ų131.5 Ų31.50%0.00417%0.166CC..Hα-helixtrans-58.4-43.9176.6178.659169.21730111.9I83 F259 F286 F295 T300 W301 N302 Q306 L307 E308 M321I83-K304 HydrophobicContact CD1-CB 4.13Å; I83-K304 HydrophobicContact CD1-CG 3.84Å; F259-K304 HydrophobicContact CE1-CB 4.21Å; F286-K304 HydrophobicContact CE1-CD 4.04Å; F286-K304 HydrophobicContact CZ-CD 4Å; F286-K304 VanDerWaalsContact CZ-NZ 3.28Å; F295-K304 HydrophobicContact CE1-CB 3.76Å; F295-K304 HydrophobicContact CE1-CG 4.15Å; F295-K304 HydrophobicContact CZ-CB 4.41Å; F295-K304 HydrophobicContact CZ-CG 4.34Å; T300-K304 PolarHBondContact O-N 3.14Å; T300-K304 VanDerWaalsContact O-N 3.07Å; W301-K304 PolarHBondContact O-N 3.36Å; N302-K304 VanDerWaalsContact C-N 3.35Å; N302-K304 PolarHBondContact O-N 2.88Å; K304-Q306 PolarHBondContact O-N 3.27Å; K304-L307 PolarHBondContact O-N 3.27Å; K304-E308 HydrophobicContact CD-CG 4.12Å; K304-E308 VanDerWaalsContact CE-OE1 3.3Å; K304-E308 WeakPolarHBondContact CE-OE1 3.34Å; K304-E308 IonicContact NZ-OE1 2.78Å; K304-E308 PolarHBondContact NZ-OE1 3.38Å; K304-E308 WeakPolarHBondContact O-CG 3.36Å; K304-E308 PolarHBondContact O-N 3.29Å; K304-M321 PolarHBondContact NZ-SD 3.36Å; K304-M321 VanDerWaalsContact NZ-SD 3.39Å
305Y98Very high97.8Very high16 Ų1630.8 Ų30.86%0.06316%0.159CC..Hα-helixtrans-59.2-44.6174.9173.8-110000112.6I83 R86 I87 K90 W301 N302 V303 E308 Q309I83-Y305 HydrophobicContact CG1-CD2 4.45Å; I83-Y305 HydrophobicContact CG2-CD2 4.25Å; R86-Y305 HydrophobicContact CB-CE2 3.79Å; R86-Y305 VanDerWaalsContact NH2-CZ 3.33Å; I87-Y305 HydrophobicContact CG2-CD2 4.33Å; I87-Y305 HydrophobicContact CG2-CE2 4.08Å; K90-Y305 WeakPolarHBondContact CE-OH 3.3Å; W301-Y305 PolarHBondContact O-N 2.96Å; N302-Y305 WeakPolarHBondContact O-CB 3.27Å; N302-Y305 PolarHBondContact O-N 2.91Å; N302-Y305 VanDerWaalsContact O-N 3.17Å; V303-Y305 VanDerWaalsContact C-N 3.32Å; V303-Y305 PolarHBondContact O-N 2.9Å; Y305-E308 PolarHBondContact O-N 3.42Å; Y305-Q309 WeakPolarHBondContact O-CG 3.22Å; Y305-Q309 PolarHBondContact O-N 3.31Å; Y305-Q309 PolarHBondContact OH-OE1 2.97Å
306Q97.9Very high97.9Very high42 Ų4230.2 Ų30.220%0.19616%0.157CC..Hα-helixtrans-62.5-42.3177.8-65.2-67.2-33.900111.8L266 L268 N302 V303 K304 Q309 S310L266-Q306 HydrophobicContact CD1-CB 3.71Å; L266-Q306 HydrophobicContact CD1-CG 4.05Å; L266-Q306 HydrophobicContact CD2-CB 4.13Å; L268-Q306 VanDerWaalsContact CD1-OE1 3.24Å; N302-Q306 VanDerWaalsContact O-CG 3.23Å; N302-Q306 WeakPolarHBondContact O-CG 3.41Å; N302-Q306 PolarHBondContact O-N 3.44Å; N302-Q306 PolarHBondContact OD1-NE2 3.11Å; V303-Q306 PolarHBondContact O-N 2.93Å; V303-Q306 VanDerWaalsContact O-N 3.15Å; K304-Q306 PolarHBondContact O-N 3.27Å; Q306-Q309 VanDerWaalsContact NE2-NE2 3.19Å; Q306-S310 PolarHBondContact O-N 3.18Å
307L98.3Very high98Very high0 Ų025.4 Ų25.40%013%0.126CC..Hα-helixtrans-62.6-47.8175.2-65.4173.4000111L225 V227 F259 L262 L274 V284 F286 V303 K304 S310L225-L307 HydrophobicContact CD2-CD2 3.94Å; V227-L307 HydrophobicContact CG2-CD1 4.23Å; F259-L307 HydrophobicContact CE1-CD1 4.17Å; L262-L307 HydrophobicContact CD1-CD1 4.26Å; L274-L307 HydrophobicContact CD1-CD2 4.22Å; L274-L307 HydrophobicContact CD2-CD2 3.63Å; V284-L307 HydrophobicContact CG1-CD1 4.31Å; V284-L307 HydrophobicContact CG1-CD2 4.38Å; V284-L307 HydrophobicContact CG2-CD2 4.19Å; F286-L307 HydrophobicContact CE1-CD1 3.7Å; F286-L307 HydrophobicContact CZ-CB 4.11Å; F286-L307 HydrophobicContact CZ-CD1 3.93Å; V303-L307 HydrophobicContact CG1-CD1 4.04Å; V303-L307 HydrophobicContact CG1-CG 4.35Å; V303-L307 WeakPolarHBondContact O-CG 3.36Å; V303-L307 PolarHBondContact O-N 2.89Å; K304-L307 PolarHBondContact O-N 3.27Å; L307-S310 WeakPolarHBondContact O-CB 3.36Å; L307-S310 PolarHBondContact O-N 3.5Å; L307-S310 PolarHBondContact O-OG 3.07Å
308E97.9Very high98.1Very high4 Ų422.8 Ų22.82%0.01911%0.112CC..Hα-helixtrans-64.2-43.1-178.7-70.9-60.815300113.1I83 I87 K304 Y305 S310 K314 I318I83-E308 HydrophobicContact CG2-CB 4.15Å; I83-E308 HydrophobicContact CG2-CG 4.07Å; I87-E308 HydrophobicContact CG2-CB 4.2Å; K304-E308 HydrophobicContact CD-CG 4.12Å; K304-E308 VanDerWaalsContact CE-OE1 3.3Å; K304-E308 WeakPolarHBondContact CE-OE1 3.34Å; K304-E308 IonicContact NZ-OE1 2.78Å; K304-E308 PolarHBondContact NZ-OE1 3.38Å; K304-E308 WeakPolarHBondContact O-CG 3.36Å; K304-E308 PolarHBondContact O-N 3.29Å; Y305-E308 PolarHBondContact O-N 3.42Å; E308-S310 PolarHBondContact O-N 3.48Å; E308-K314 WeakPolarHBondContact O-CE 3.5Å; E308-K314 PolarHBondContact O-NZ 3.3Å; E308-I318 HydrophobicContact CG-CB 4.08Å; E308-I318 PolarHBondContact OE1-N 3.31Å; E308-I318 PolarHBondContact OE2-N 3Å
309Q96.8Very high98Very high16 Ų1617.7 Ų17.78%0.0758%0.084CC..Hα-helixtrans-73.3-12.4-179.977.4177.9-31.900113.7I87 L268 Y305 Q306I87-Q309 HydrophobicContact CG2-CB 4.22Å; L268-Q309 HydrophobicContact CD1-CG 3.68Å; Y305-Q309 WeakPolarHBondContact O-CG 3.22Å; Y305-Q309 PolarHBondContact O-N 3.31Å; Y305-Q309 PolarHBondContact OH-OE1 2.97Å; Q306-Q309 VanDerWaalsContact NE2-NE2 3.19Å
310S97.7Very high98Very high0 Ų011.7 Ų11.70%06%0.055CC..SBendtrans-69.3162.4-179.277.60000113S272 Q306 L307 E308 A312 K314S272-S310 CarbonylContact O-C 3.5Å; S272-S310 VanDerWaalsContact O-CA 3.28Å; S272-S310 WeakPolarHBondContact O-CA 3.4Å; Q306-S310 PolarHBondContact O-N 3.18Å; L307-S310 WeakPolarHBondContact O-CB 3.36Å; L307-S310 PolarHBondContact O-N 3.5Å; L307-S310 PolarHBondContact O-OG 3.07Å; E308-S310 PolarHBondContact O-N 3.48Å; S310-A312 PolarHBondContact O-N 3.41Å; S310-A312 WeakPolarHBondContact OG-CB 3.34Å; S310-A312 PolarHBondContact OG-N 2.94Å; S310-K314 PolarHBondContact O-NZ 2.71Å
311L97.4Very high98Very high1 Ų112.1 Ų12.11%0.0056%0.058CC..SBendtrans-71.9-9.8171.4-76.2-175.4000113.7I92 Q94 Y208 L217 N271 S272 R273I92-L311 HydrophobicContact CG2-CD2 3.77Å; I92-L311 HydrophobicContact CG2-CG 4.23Å; Q94-L311 WeakPolarHBondContact CG-O 3.32Å; Q94-L311 PolarHBondContact NE2-O 3.4Å; Y208-L311 VanDerWaalsContact CD2-O 3.31Å; Y208-L311 WeakPolarHBondContact CD2-O 3.14Å; Y208-L311 HydrophobicContact CE2-CB 4.18Å; Y208-L311 VanDerWaalsContact CE2-O 3.27Å; Y208-L311 WeakPolarHBondContact CE2-O 3.3Å; L217-L311 HydrophobicContact CD1-CD1 3.96Å; N271-L311 WeakPolarHBondContact O-CD1 3.49Å; N271-L311 WeakPolarHBondContact O-CG 3.44Å; S272-L311 PolarHBondContact O-N 3.04Å; R273-L311 HydrophobicContact CG-CD1 3.9Å
312A98.4Very high98Very high0 Ų010.3 Ų10.30%05%0.051CC..SBendtrans-62.3146.8174.400000110.2L274 V281 A282 V284 S310 K314L274-A312 HydrophobicContact CB-CB 4.31Å; L274-A312 HydrophobicContact CD2-CB 4.15Å; V281-A312 HydrophobicContact CG1-CB 4.33Å; V281-A312 WeakPolarHBondContact O-CB 3.47Å; A282-A312 WeakPolarHBondContact O-CA 3.19Å; V284-A312 HydrophobicContact CG2-CB 3.87Å; S310-A312 PolarHBondContact O-N 3.41Å; S310-A312 WeakPolarHBondContact OG-CB 3.34Å; S310-A312 PolarHBondContact OG-N 2.94Å; A312-K314 WeakPolarHBondContact O-CD 3.49Å; A312-K314 WeakPolarHBondContact O-CE 3.39Å; A312-K314 PolarHBondContact O-NZ 3.27Å
313I98.7Very high98Very high0 Ų06.6 Ų6.60%03%0.031CC..EExtended strand (participates in β ladder)trans-77.5129.2172.3-67168.7000108.1Q94 I96 L98 A204 M207 A282 V283 V284 L463Q94-I313 HydrophobicContact CG-CG1 3.78Å; I96-I313 HydrophobicContact CB-CD1 3.97Å; I96-I313 HydrophobicContact CB-CG1 4.07Å; I96-I313 HydrophobicContact CG2-CD1 3.63Å; I96-I313 HydrophobicContact CG2-CG1 4.11Å; I96-I313 HydrophobicContact CG2-CG2 4.49Å; L98-I313 HydrophobicContact CB-CG2 3.92Å; A204-I313 HydrophobicContact CB-CD1 4.3Å; A204-I313 HydrophobicContact CB-CG2 4.26Å; A204-I313 VanDerWaalsContact O-CD1 3.28Å; A204-I313 WeakPolarHBondContact O-CD1 3.24Å; M207-I313 HydrophobicContact CB-CD1 4.14Å; A282-I313 PolarHBondContact O-N 3.44Å; V283-I313 CarbonylContact C-O 3.44Å; V283-I313 VanDerWaalsContact CA-O 3.28Å; V283-I313 WeakPolarHBondContact CA-O 3.36Å; V283-I313 HydrophobicContact CG2-CB 4.49Å; V284-I313 PolarHBondContact N-O 3.22Å; I313-L463 HydrophobicContact CG2-CD1 4.49Å
314K98.7Very high97.9Very high6 Ų66.6 Ų6.63%0.0263%0.031CC..EExtended strand (participates in β ladder)trans-95.5141.1-178.2-78.370.261.3171.90110.7L98 V284 F286 E308 S310 A312 C317L98-K314 PolarHBondContact N-O 2.89Å; V284-K314 HydrophobicContact CB-CG 4.48Å; F286-K314 HydrophobicContact CE2-CB 4.24Å; F286-K314 HydrophobicContact CE2-CG 3.93Å; E308-K314 WeakPolarHBondContact O-CE 3.5Å; E308-K314 PolarHBondContact O-NZ 3.3Å; S310-K314 PolarHBondContact O-NZ 2.71Å; A312-K314 WeakPolarHBondContact O-CD 3.49Å; A312-K314 WeakPolarHBondContact O-CE 3.39Å; A312-K314 PolarHBondContact O-NZ 3.27Å; K314-C317 HydrophobicContact CB-CB 3.88Å
315C98.8Very high97.7Very high1 Ų17.3 Ų7.31%0.0074%0.035CC..EExtended strand (participates in β ladder)trans-13196175.81790000111.3L98 L100 V284 Y285 F286L98-C315 HydrophobicContact CB-CB 4.08Å; L98-C315 HydrophobicContact CD2-CB 3.89Å; L98-C315 HydrophobicContact CG-CB 4.01Å; L98-C315 WeakPolarHBondContact O-CA 3.25Å; L100-C315 VanDerWaalsContact CG-SG 3.55Å; V284-C315 PolarHBondContact O-N 2.78Å; Y285-C315 HydrophobicContact CD2-CB 4.08Å; F286-C315 PolarHBondContact N-O 2.8Å
316P98.5Very high97.6Very high1 Ų17 Ų71%0.0063%0.034CC..THydrogen-bonded Turncis-80.2163.8-14.734.4-35.6000112.2M155 I156 F286 Y320 M321M155-P316 WeakPolarHBondContact O-CD 3.5Å; M155-P316 VanDerWaalsContact O-CG 3.27Å; M155-P316 WeakPolarHBondContact O-CG 3.45Å; I156-P316 HydrophobicContact CB-CG 3.72Å; I156-P316 HydrophobicContact CD1-CG 4.12Å; I156-P316 HydrophobicContact CG1-CG 4.04Å; F286-P316 WeakPolarHBondContact CD2-O 3.34Å; P316-Y320 HydrophobicContact CB-CD2 4.02Å; P316-Y320 HydrophobicContact CB-CG 4.26Å; P316-M321 HydrophobicContact CG-CG 3.96Å
317C97.9Very high97.5Very high1 Ų15.1 Ų5.11%0.0073%0.025CC..  trans-74168.2165.663.20000112.2V97 K314 Q319 Y320 M321V97-C317 HydrophobicContact CG1-CB 3.91Å; V97-C317 VanDerWaalsContact CG1-SG 3.53Å; K314-C317 HydrophobicContact CB-CB 3.88Å; C317-Q319 VanDerWaalsContact C-N 3.26Å; C317-Q319 VanDerWaalsContact CB-OE1 3.32Å; C317-Q319 PolarHBondContact O-N 3.45Å; C317-Q319 PolarHBondContact SG-OE1 3.14Å; C317-Y320 WeakPolarHBondContact O-CB 3.43Å; C317-Y320 PolarHBondContact O-N 3.27Å; C317-Y320 VanDerWaalsContact O-N 3.17Å; C317-Y320 WeakPolarHBondContact SG-CD1 3.5Å; C317-M321 PolarHBondContact O-N 2.95Å
318I97.7Very high97.4Very high0 Ų05.1 Ų5.10%03%0.025CC..Hα-helixtrans-58.8-34.4179.9-165.366.7000113.4L80 I83 Y84 I87 E308 Y320 M321 L322L80-I318 HydrophobicContact CB-CD1 3.87Å; L80-I318 HydrophobicContact CD2-CD1 3.39Å; L80-I318 HydrophobicContact CG-CD1 4.18Å; L80-I318 WeakPolarHBondContact O-CG1 3.43Å; I83-I318 HydrophobicContact CG2-CD1 4.46Å; I83-I318 HydrophobicContact CG2-CG1 4.19Å; Y84-I318 HydrophobicContact CD2-CG2 4.11Å; I87-I318 HydrophobicContact CD1-CG2 3.39Å; I87-I318 HydrophobicContact CG1-CG2 4.43Å; E308-I318 HydrophobicContact CG-CB 4.08Å; E308-I318 PolarHBondContact OE1-N 3.31Å; E308-I318 PolarHBondContact OE2-N 3Å; I318-Y320 VanDerWaalsContact C-N 3.34Å; I318-Y320 PolarHBondContact O-N 2.93Å; I318-M321 HydrophobicContact CD1-SD 4.27Å; I318-M321 WeakPolarHBondContact O-CB 3.31Å; I318-M321 PolarHBondContact O-N 3.3Å; I318-L322 WeakPolarHBondContact O-CG 3.41Å; I318-L322 PolarHBondContact O-N 3.15Å
319Q96.8Very high97.4Very high34 Ų345.1 Ų5.116%0.1593%0.025CC..Hα-helixtrans-65.7-39.1179-60.187.6-14.200111.9A57 Y84 C317 M321 L322 A323A57-Q319 HydrophobicContact CB-CB 3.95Å; A57-Q319 WeakPolarHBondContact O-CB 3.33Å; Y84-Q319 HydrophobicContact CD2-CG 3.64Å; Y84-Q319 HydrophobicContact CE2-CG 3.3Å; C317-Q319 VanDerWaalsContact C-N 3.26Å; C317-Q319 VanDerWaalsContact CB-OE1 3.32Å; C317-Q319 PolarHBondContact O-N 3.45Å; C317-Q319 PolarHBondContact SG-OE1 3.14Å; Q319-M321 VanDerWaalsContact C-N 3.34Å; Q319-L322 PolarHBondContact O-N 3.3Å; Q319-A323 VanDerWaalsContact O-CB 3.32Å; Q319-A323 WeakPolarHBondContact O-CB 3.44Å; Q319-A323 PolarHBondContact O-N 2.9Å
320Y98.1Very high97.4Very high0 Ų04.4 Ų4.40%02%0.022CC..Hα-helixtrans-66.3-39.4176.1-83.927.9000110.4H54 A57 M58 V97 M155 P316 C317 I318 L322 A323 N324 I462H54-Y320 AromaticContact ND1-CE1 3.89Å; H54-Y320 AromaticContact ND1-CZ 3.77Å; H54-Y320 PolarHBondContact ND1-OH 3.49Å; A57-Y320 HydrophobicContact CB-CD1 3.34Å; A57-Y320 HydrophobicContact CB-CE1 3.64Å; A57-Y320 HydrophobicContact CB-CG 4.46Å; M58-Y320 HydrophobicContact CE-CE1 3.94Å; V97-Y320 HydrophobicContact CB-CE1 4.44Å; V97-Y320 HydrophobicContact CG2-CE1 3.77Å; V97-Y320 HydrophobicContact CG2-CE2 4.39Å; V97-Y320 WeakPolarHBondContact CG2-OH 3.45Å; M155-Y320 HydrophobicContact CE-CD1 4.12Å; M155-Y320 HydrophobicContact CE-CD2 3.19Å; M155-Y320 HydrophobicContact CE-CE2 3.75Å; M155-Y320 HydrophobicContact CE-CG 3.37Å; P316-Y320 HydrophobicContact CB-CD2 4.02Å; P316-Y320 HydrophobicContact CB-CG 4.26Å; C317-Y320 WeakPolarHBondContact O-CB 3.43Å; C317-Y320 PolarHBondContact O-N 3.27Å; C317-Y320 VanDerWaalsContact O-N 3.17Å; C317-Y320 WeakPolarHBondContact SG-CD1 3.5Å; I318-Y320 VanDerWaalsContact C-N 3.34Å; I318-Y320 PolarHBondContact O-N 2.93Å; Y320-L322 PolarHBondContact O-N 2.86Å; Y320-A323 PolarHBondContact O-N 2.89Å; Y320-N324 VanDerWaalsContact O-CB 3.27Å; Y320-N324 WeakPolarHBondContact O-CB 3.14Å; Y320-N324 PolarHBondContact O-N 3.25Å; Y320-I462 HydrophobicContact CE2-CG2 4.21Å
321M97.3Very high97.4Very high13 Ų134.4 Ų4.46%0.0642%0.022CC..Hα-helixtrans-61.5-43173.8-64.5176.764.300112.1L80 I156 G289 K304 P316 C317 I318 Q319 N324L80-M321 HydrophobicContact CD1-CE 4.26Å; L80-M321 HydrophobicContact CD2-CE 3.79Å; I156-M321 HydrophobicContact CD1-CE 3.93Å; I156-M321 HydrophobicContact CD1-CG 4.19Å; I156-M321 HydrophobicContact CD1-SD 3.94Å; G289-M321 WeakPolarHBondContact O-CE 3.48Å; K304-M321 PolarHBondContact NZ-SD 3.36Å; K304-M321 VanDerWaalsContact NZ-SD 3.39Å; P316-M321 HydrophobicContact CG-CG 3.96Å; C317-M321 PolarHBondContact O-N 2.95Å; I318-M321 HydrophobicContact CD1-SD 4.27Å; I318-M321 WeakPolarHBondContact O-CB 3.31Å; I318-M321 PolarHBondContact O-N 3.3Å; Q319-M321 VanDerWaalsContact C-N 3.34Å; M321-N324 PolarHBondContact O-N 2.74Å
322L97.8Very high97.4Very high0 Ų04.3 Ų4.30%02%0.022CC..Hα-helixtrans-65.9-42.3176.7-68.2171.4000112.1L63 L67 L77 L80 W81 Y84 I318 Q319 Y320 N324 T325L63-L322 HydrophobicContact CD1-CB 4.48Å; L67-L322 HydrophobicContact CD1-CB 4.03Å; L67-L322 HydrophobicContact CD1-CD2 4.04Å; L77-L322 HydrophobicContact CD1-CD2 3.6Å; L80-L322 HydrophobicContact CB-CD2 3.89Å; W81-L322 HydrophobicContact CE3-CD1 3.96Å; W81-L322 HydrophobicContact CZ3-CD1 4.45Å; Y84-L322 HydrophobicContact CD1-CD1 3.51Å; Y84-L322 HydrophobicContact CD2-CD1 4.49Å; Y84-L322 HydrophobicContact CE1-CD1 4.27Å; Y84-L322 HydrophobicContact CG-CD1 3.62Å; I318-L322 WeakPolarHBondContact O-CG 3.41Å; I318-L322 PolarHBondContact O-N 3.15Å; Q319-L322 PolarHBondContact O-N 3.3Å; Y320-L322 PolarHBondContact O-N 2.86Å; L322-N324 PolarHBondContact O-N 3.23Å; L322-T325 VanDerWaalsContact O-CG2 3.3Å; L322-T325 WeakPolarHBondContact O-CG2 3.05Å; L322-T325 PolarHBondContact O-N 3.2Å; L322-T325 PolarHBondContact O-OG1 2.81Å
323A97.9Very high97.3Very high0 Ų05 Ų50%03%0.026CC..Hα-helixtrans-64.8-24.8175.700000113Y53 V56 A57 L63 Q319 Y320 V328Y53-A323 HydrophobicContact CD1-CB 4.42Å; Y53-A323 WeakPolarHBondContact CD1-O 3.28Å; Y53-A323 WeakPolarHBondContact CE1-O 3.28Å; V56-A323 HydrophobicContact CB-CB 4.31Å; V56-A323 HydrophobicContact CG1-CB 3.69Å; A57-A323 HydrophobicContact CB-CB 3.95Å; L63-A323 HydrophobicContact CD2-CB 4.26Å; Q319-A323 VanDerWaalsContact O-CB 3.32Å; Q319-A323 WeakPolarHBondContact O-CB 3.44Å; Q319-A323 PolarHBondContact O-N 2.9Å; Y320-A323 PolarHBondContact O-N 2.89Å; A323-V328 WeakPolarHBondContact O-CB 3.5Å; A323-V328 WeakPolarHBondContact O-CG1 3.4Å
324N96.1Very high97.2Very high3 Ų36.1 Ų6.12%0.0163%0.031CC..THydrogen-bonded Turntrans-85.1-6.8-176.7-165.3-149.7000114.2F153 M155 Y320 M321 L322 Q329F153-N324 PolarHBondContact O-ND2 3.13Å; M155-N324 HydrophobicContact CB-CB 4.05Å; M155-N324 HydrophobicContact CG-CB 3.97Å; M155-N324 PolarHBondContact N-OD1 2.86Å; M155-N324 HydrophobicContact SD-CB 3.78Å; Y320-N324 VanDerWaalsContact O-CB 3.27Å; Y320-N324 WeakPolarHBondContact O-CB 3.14Å; Y320-N324 PolarHBondContact O-N 3.25Å; M321-N324 PolarHBondContact O-N 2.74Å; L322-N324 PolarHBondContact O-N 3.23Å; N324-Q329 PolarHBondContact O-NE2 3.02Å
325T95.5Very high97.1Very high16 Ų169 Ų910%0.0985%0.051CC..SBendtrans-57.4145-178.556.60000113L67 L77 L322 I327 V328 Q329L67-T325 HydrophobicContact CD2-CG2 4.35Å; L67-T325 WeakPolarHBondContact CD2-OG1 3.42Å; L77-T325 HydrophobicContact CD1-CG2 3.65Å; L77-T325 HydrophobicContact CD2-CG2 4.49Å; L322-T325 VanDerWaalsContact O-CG2 3.3Å; L322-T325 WeakPolarHBondContact O-CG2 3.05Å; L322-T325 PolarHBondContact O-N 3.2Å; L322-T325 PolarHBondContact O-OG1 2.81Å; T325-I327 PolarHBondContact O-N 3.49Å; T325-I327 VanDerWaalsContact O-N 3.14Å; T325-I327 WeakPolarHBondContact OG1-CG2 3.33Å; T325-V328 WeakPolarHBondContact O-CB 3.18Å; T325-V328 PolarHBondContact O-N 3.47Å; T325-V328 VanDerWaalsContact OG1-CG2 3.24Å; T325-V328 WeakPolarHBondContact OG1-CG2 3.27Å; T325-Q329 WeakPolarHBondContact O-CG 3.2Å; T325-Q329 PolarHBondContact O-N 2.81Å
326K94.8Very high97Very high10 Ų1016.4 Ų16.44%0.0438%0.083CC..Hα-helixtrans-56.3-33.9-179.9-57.4-62.3-179.4-163.30112.7E152 Q329 A330 E395E152-K326 IonicContact OE2-NZ 3.39Å; E152-K326 PolarHBondContact OE2-NZ 2.96Å; K326-Q329 PolarHBondContact O-N 3Å; K326-A330 WeakPolarHBondContact O-CB 3.49Å; K326-A330 PolarHBondContact O-N 3.26Å; K326-E395 WeakPolarHBondContact CE-OE1 3.35Å; K326-E395 IonicContact NZ-OE1 3.97Å; K326-E395 IonicContact NZ-OE2 3.14Å
327I95.8Very high97Very high1 Ų118.3 Ų18.31%0.0059%0.09CC..Hα-helixtrans-64.3-39.2175.5-168.460.3000112.9V66 L67 V70 T325 A330 A331 T361 M366 I368 V423V66-I327 HydrophobicContact CG1-CG1 4.24Å; V66-I327 HydrophobicContact CG1-CG2 4.42Å; L67-I327 HydrophobicContact CD2-CG2 3.55Å; V70-I327 HydrophobicContact CG1-CG2 4.26Å; T325-I327 PolarHBondContact O-N 3.49Å; T325-I327 VanDerWaalsContact O-N 3.14Å; T325-I327 WeakPolarHBondContact OG1-CG2 3.33Å; I327-A330 PolarHBondContact O-N 2.87Å; I327-A331 PolarHBondContact O-N 3.28Å; I327-T361 HydrophobicContact CD1-CG2 3.36Å; I327-M366 HydrophobicContact CD1-CE 3.3Å; I327-M366 HydrophobicContact CG1-CE 3.49Å; I327-M366 VanDerWaalsContact CG1-CE 3.49Å; I327-I368 HydrophobicContact CD1-CD1 3.45Å; I327-I368 VanDerWaalsContact CD1-CD1 3.45Å; I327-I368 HydrophobicContact CG1-CD1 3.78Å; I327-V423 HydrophobicContact CD1-CG2 4.49Å
328V97.1Very high97Very high0 Ų018.2 Ų18.20%09%0.089CC..Hα-helixtrans-67.9-41174.3170.90000110.1V56 F62 L63 V66 L67 A323 T325 A330 A331 L332V56-V328 HydrophobicContact CG1-CG1 3.83Å; F62-V328 HydrophobicContact CE1-CG1 4.06Å; L63-V328 HydrophobicContact CD2-CG2 4.39Å; V66-V328 HydrophobicContact CG1-CG2 3.84Å; L67-V328 HydrophobicContact CD2-CG2 3.91Å; L67-V328 HydrophobicContact CG-CG2 4.47Å; A323-V328 WeakPolarHBondContact O-CB 3.5Å; A323-V328 WeakPolarHBondContact O-CG1 3.4Å; T325-V328 WeakPolarHBondContact O-CB 3.18Å; T325-V328 PolarHBondContact O-N 3.47Å; T325-V328 VanDerWaalsContact OG1-CG2 3.24Å; T325-V328 WeakPolarHBondContact OG1-CG2 3.27Å; V328-A330 VanDerWaalsContact C-N 3.3Å; V328-A330 PolarHBondContact O-N 2.75Å; V328-A331 WeakPolarHBondContact O-CB 3.48Å; V328-A331 PolarHBondContact O-N 3.15Å; V328-L332 HydrophobicContact CG1-CD1 3.85Å; V328-L332 HydrophobicContact CG1-CG 4.19Å; V328-L332 WeakPolarHBondContact O-CB 3.31Å; V328-L332 VanDerWaalsContact O-CG 3.25Å; V328-L332 WeakPolarHBondContact O-CG 3.28Å; V328-L332 PolarHBondContact O-N 2.75Å
329Q97.1Very high97Very high5 Ų520.6 Ų20.62%0.02311%0.106CC..Hα-helixtrans-60-40.7174.1-47.8-163.826.700111.6Y53 F153 N324 T325 K326 L332 S333Y53-Q329 WeakPolarHBondContact OH-CG 3.44Å; F153-Q329 PolarHBondContact O-NE2 2.99Å; N324-Q329 PolarHBondContact O-NE2 3.02Å; T325-Q329 WeakPolarHBondContact O-CG 3.2Å; T325-Q329 PolarHBondContact O-N 2.81Å; K326-Q329 PolarHBondContact O-N 3Å; Q329-L332 PolarHBondContact O-N 2.9Å; Q329-S333 PolarHBondContact O-N 2.86Å; Q329-S333 VanDerWaalsContact O-N 3.12Å
330A96.8Very high97.1Very high0 Ų024.8 Ų24.80%012%0.12CC..Hα-helixtrans-64.4-43.9174.700000112K326 I327 V328 S333 Q359 V423K326-A330 WeakPolarHBondContact O-CB 3.49Å; K326-A330 PolarHBondContact O-N 3.26Å; I327-A330 PolarHBondContact O-N 2.87Å; V328-A330 VanDerWaalsContact C-N 3.3Å; V328-A330 PolarHBondContact O-N 2.75Å; A330-S333 WeakPolarHBondContact O-CB 3.29Å; A330-S333 PolarHBondContact O-N 2.88Å; A330-S333 PolarHBondContact O-OG 2.77Å; A330-Q359 HydrophobicContact CB-CB 4.08Å; A330-V423 HydrophobicContact CB-CG1 3.93Å; A330-V423 HydrophobicContact CB-CG2 3.95Å
331A97.8Very high97.1Very high0 Ų025.6 Ų25.60%012%0.124CC..Hα-helixtrans-58.7-50174.900000111.2F62 V66 I327 V328 S333 K334 Y337 I368F62-A331 HydrophobicContact CZ-CB 4.43Å; V66-A331 HydrophobicContact CG1-CB 4.12Å; V66-A331 HydrophobicContact CG2-CB 4.27Å; I327-A331 PolarHBondContact O-N 3.28Å; V328-A331 WeakPolarHBondContact O-CB 3.48Å; V328-A331 PolarHBondContact O-N 3.15Å; A331-S333 PolarHBondContact O-N 3.03Å; A331-K334 WeakPolarHBondContact O-CB 3.34Å; A331-K334 PolarHBondContact O-N 2.8Å; A331-Y337 HydrophobicContact CB-CD1 4.43Å; A331-Y337 HydrophobicContact CB-CD2 4.37Å; A331-Y337 HydrophobicContact CB-CG 4.22Å; A331-Y337 WeakPolarHBondContact O-CB 3.38Å; A331-Y337 WeakPolarHBondContact O-CD2 3.3Å; A331-I368 HydrophobicContact CB-CD1 3.67Å; A331-I368 HydrophobicContact CB-CG1 3.97Å
332L98Very high97.1Very high0 Ų025.8 Ų25.80%012%0.124CC..Hα-helixtrans-62.8-22.1-179.6-67.6174000113.2L52 Y53 V56 F62 V328 Q329 K334 F341 F356L52-L332 HydrophobicContact CD1-CD2 4.09Å; L52-L332 HydrophobicContact CD2-CD1 4.09Å; L52-L332 HydrophobicContact CG-CD1 4.25Å; Y53-L332 HydrophobicContact CE1-CD1 3.98Å; V56-L332 HydrophobicContact CG2-CD1 4.01Å; V56-L332 HydrophobicContact CG2-CD2 3.91Å; F62-L332 HydrophobicContact CZ-CD2 4.04Å; V328-L332 HydrophobicContact CG1-CD1 3.85Å; V328-L332 HydrophobicContact CG1-CG 4.19Å; V328-L332 WeakPolarHBondContact O-CB 3.31Å; V328-L332 VanDerWaalsContact O-CG 3.25Å; V328-L332 WeakPolarHBondContact O-CG 3.28Å; V328-L332 PolarHBondContact O-N 2.75Å; Q329-L332 PolarHBondContact O-N 2.9Å; L332-K334 PolarHBondContact O-N 3.12Å; L332-F341 HydrophobicContact CD2-CD2 3.8Å; L332-F341 HydrophobicContact CD2-CE2 3.68Å; L332-F356 HydrophobicContact CB-CZ 4.34Å; L332-F356 WeakPolarHBondContact O-CE2 3.46Å
333S96.7Very high97.1Very high13 Ų1333.3 Ų33.39%0.09116%0.157CC..THydrogen-bonded Turntrans-67.3-18.917481.60000113.8Q329 A330 A331Q329-S333 PolarHBondContact O-N 2.86Å; Q329-S333 VanDerWaalsContact O-N 3.12Å; A330-S333 WeakPolarHBondContact O-CB 3.29Å; A330-S333 PolarHBondContact O-N 2.88Å; A330-S333 PolarHBondContact O-OG 2.77Å; A331-S333 PolarHBondContact O-N 3.03Å
334K97Very high97.1Very high25 Ų2536.8 Ų36.811%0.10918%0.18CC..SBendtrans-91.9130.7-179.6-57-69.5-172.91720110.5A331 L332 K336 Y337 L338 Q359 I368 E373A331-K334 WeakPolarHBondContact O-CB 3.34Å; A331-K334 PolarHBondContact O-N 2.8Å; L332-K334 PolarHBondContact O-N 3.12Å; K334-K336 PolarHBondContact O-N 2.97Å; K334-Y337 HydrophobicContact CB-CD2 3.96Å; K334-Y337 PolarHBondContact O-N 3.44Å; K334-L338 PolarHBondContact O-N 3.27Å; K334-Q359 VanDerWaalsContact CE-O 3.31Å; K334-Q359 WeakPolarHBondContact CE-O 3.39Å; K334-Q359 PolarHBondContact NZ-O 3.01Å; K334-I368 HydrophobicContact CG-CG2 4.07Å; K334-E373 IonicContact NZ-OE1 2.62Å; K334-E373 PolarHBondContact NZ-OE1 2.93Å; K334-E373 IonicContact NZ-OE2 2.82Å
335P96.8Very high97.1Very high67 Ų6743 Ų4344%0.43521%0.213SC..Hα-helixtrans-46.7-40.2177.7-34.938.6000115.3Y337 L338 S339 Y349 L353P335-Y337 VanDerWaalsContact C-N 3.3Å; P335-Y337 PolarHBondContact O-N 2.93Å; P335-L338 PolarHBondContact O-N 3.5Å; P335-S339 WeakPolarHBondContact O-CB 3.15Å; P335-S339 PolarHBondContact O-N 2.93Å; P335-S339 PolarHBondContact O-OG 2.99Å; P335-Y349 WeakPolarHBondContact CA-OH 3.35Å; P335-Y349 WeakPolarHBondContact CB-OH 3.23Å; P335-L353 HydrophobicContact CG-CD1 4.17Å; P335-L353 HydrophobicContact CG-CD2 4.29Å
336K95.9Very high97.3Very high156 Ų15643.7 Ų43.768%0.67822%0.218SC*.Hα-helixtrans-57.8-38.5180177.6-174.3171.5-1690113.1K334 S339K334-K336 PolarHBondContact O-N 2.97Å; K336-S339 PolarHBondContact O-OG 3.05Å; K336-S339 VanDerWaalsContact O-OG 3.07Å
337Y97.6Very high97.4Very high40 Ų4047.1 Ų47.116%0.15724%0.244CC..Hα-helixtrans-89.8-37.5-177.8-67.1-85.3000111.3F62 V66 A331 K334 P335 S339 R340 G367 I368F62-Y337 HydrophobicContact CD2-CD1 4.45Å; F62-Y337 AromaticContact CE2-CD1 3.72Å; F62-Y337 HydrophobicContact CE2-CD1 3.72Å; F62-Y337 HydrophobicContact CE2-CG 4.38Å; V66-Y337 HydrophobicContact CG2-CE1 4.27Å; A331-Y337 HydrophobicContact CB-CD1 4.43Å; A331-Y337 HydrophobicContact CB-CD2 4.37Å; A331-Y337 HydrophobicContact CB-CG 4.22Å; A331-Y337 WeakPolarHBondContact O-CB 3.38Å; A331-Y337 WeakPolarHBondContact O-CD2 3.3Å; K334-Y337 HydrophobicContact CB-CD2 3.96Å; K334-Y337 PolarHBondContact O-N 3.44Å; P335-Y337 VanDerWaalsContact C-N 3.3Å; P335-Y337 PolarHBondContact O-N 2.93Å; Y337-S339 PolarHBondContact O-N 3.15Å; Y337-R340 VanDerWaalsContact O-CB 3.26Å; Y337-R340 WeakPolarHBondContact O-CB 3.44Å; Y337-R340 PolarHBondContact O-N 2.77Å; Y337-G367 PolarHBondContact OH-O 2.62Å; Y337-I368 HydrophobicContact CE2-CG1 4.16Å
338L98.2Very high97.5Very high0 Ų048.1 Ų48.10%025%0.251CS..Hα-helixtrans-61.6-35.2176.7-174.562.1000112.2L52 K334 P335 R340 F341 F342 Y349 I352 L353 F356L52-L338 HydrophobicContact CD1-CD1 3.8Å; L52-L338 HydrophobicContact CD2-CD1 3.96Å; K334-L338 PolarHBondContact O-N 3.27Å; P335-L338 PolarHBondContact O-N 3.5Å; L338-R340 PolarHBondContact O-N 2.76Å; L338-R340 VanDerWaalsContact O-N 3.15Å; L338-F341 PolarHBondContact O-N 2.77Å; L338-F342 HydrophobicContact CD1-CD2 4.37Å; L338-F342 PolarHBondContact O-N 3.2Å; L338-F342 VanDerWaalsContact O-N 3.15Å; L338-Y349 HydrophobicContact CB-CD2 4.32Å; L338-Y349 HydrophobicContact CB-CE2 3.89Å; L338-Y349 HydrophobicContact CD2-CD2 3.7Å; L338-Y349 HydrophobicContact CD2-CE2 3.74Å; L338-Y349 HydrophobicContact CD2-CG 4.29Å; L338-Y349 HydrophobicContact CG-CD2 3.66Å; L338-Y349 HydrophobicContact CG-CE2 3.73Å; L338-I352 HydrophobicContact CD1-CG2 3.95Å; L338-I352 HydrophobicContact CD2-CB 4.41Å; L338-I352 HydrophobicContact CD2-CG2 3.94Å; L338-L353 HydrophobicContact CD2-CB 3.91Å; L338-L353 HydrophobicContact CD2-CD1 4.31Å; L338-F356 HydrophobicContact CD2-CE2 4.31Å
339S98.2Very high97.5Very high49 Ų4949 Ų4934%0.34325%0.254SS..THydrogen-bonded Turntrans-65.7-14.7179.767.10000114P335 K336 Y337 F341 F342P335-S339 WeakPolarHBondContact O-CB 3.15Å; P335-S339 PolarHBondContact O-N 2.93Å; P335-S339 PolarHBondContact O-OG 2.99Å; K336-S339 PolarHBondContact O-OG 3.05Å; K336-S339 VanDerWaalsContact O-OG 3.07Å; Y337-S339 PolarHBondContact O-N 3.15Å; S339-F341 VanDerWaalsContact C-N 3.26Å; S339-F341 PolarHBondContact O-N 2.85Å; S339-F342 CarbonylContact C-O 3.48Å; S339-F342 WeakPolarHBondContact CA-O 3.28Å
340R98Very high97.6Very high123 Ų12353.3 Ų53.346%0.46428%0.277SS..THydrogen-bonded Turntrans-66.9-28.7170.3-173.7173.9175.196.6-5.6112.1D59 E61 Y337 L338D59-R340 VanDerWaalsContact CG-NH2 3.29Å; D59-R340 IonicContact OD1-CZ 3.72Å; D59-R340 IonicContact OD1-NE 3.32Å; D59-R340 IonicContact OD1-NH2 3.75Å; D59-R340 PolarHBondContact OD1-NH2 2.87Å; D59-R340 IonicContact OD2-CZ 3.61Å; D59-R340 IonicContact OD2-NE 2.88Å; D59-R340 PolarHBondContact OD2-NE 2.75Å; D59-R340 IonicContact OD2-NH2 3.75Å; D59-R340 PolarHBondContact OD2-NH2 2.91Å; E61-R340 IonicContact OE2-NH2 2.76Å; Y337-R340 VanDerWaalsContact O-CB 3.26Å; Y337-R340 WeakPolarHBondContact O-CB 3.44Å; Y337-R340 PolarHBondContact O-N 2.77Å; L338-R340 PolarHBondContact O-N 2.76Å; L338-R340 VanDerWaalsContact O-N 3.15Å
341F98.1Very high97.6Very high17 Ų1755.8 Ų55.88%0.07529%0.29CS..THydrogen-bonded Turntrans-110-25-171.6-56.6-67.2000113.8L52 R55 V56 D59 F62 L332 L338 S339L52-F341 HydrophobicContact CD1-CB 3.71Å; L52-F341 HydrophobicContact CD1-CD2 3.89Å; L52-F341 HydrophobicContact CD1-CG 3.96Å; R55-F341 HydrophobicContact CB-CD1 3.81Å; R55-F341 HydrophobicContact CB-CE1 4.47Å; R55-F341 PolarHBondContact NH1-O 2.85Å; V56-F341 HydrophobicContact CB-CE1 4.49Å; V56-F341 HydrophobicContact CB-CZ 4.27Å; V56-F341 HydrophobicContact CG2-CD1 4.28Å; V56-F341 HydrophobicContact CG2-CD2 3.92Å; V56-F341 HydrophobicContact CG2-CE1 3.93Å; V56-F341 HydrophobicContact CG2-CE2 3.54Å; V56-F341 HydrophobicContact CG2-CG 4.26Å; V56-F341 HydrophobicContact CG2-CZ 3.54Å; D59-F341 HydrophobicContact CB-CE1 4.01Å; F62-F341 HydrophobicContact CB-CZ 4.18Å; F62-F341 HydrophobicContact CD1-CE2 4.33Å; F62-F341 AromaticContact CD1-CZ 3.77Å; F62-F341 HydrophobicContact CD1-CZ 3.77Å; F62-F341 AromaticContact CD2-CE2 3.95Å; F62-F341 HydrophobicContact CD2-CE2 3.95Å; F62-F341 AromaticContact CD2-CZ 3.74Å; F62-F341 HydrophobicContact CD2-CZ 3.74Å; F62-F341 HydrophobicContact CE1-CE2 4.16Å; F62-F341 HydrophobicContact CE1-CZ 4.04Å; F62-F341 AromaticContact CE2-CE2 3.71Å; F62-F341 HydrophobicContact CE2-CE2 3.71Å; F62-F341 AromaticContact CE2-CZ 3.95Å; F62-F341 HydrophobicContact CE2-CZ 3.95Å; F62-F341 HydrophobicContact CG-CE2 4.24Å; F62-F341 AromaticContact CG-CZ 3.62Å; F62-F341 HydrophobicContact CG-CZ 3.62Å; F62-F341 AromaticContact CZ-CE2 3.84Å; F62-F341 HydrophobicContact CZ-CE2 3.84Å; F62-F341 HydrophobicContact CZ-CZ 4.12Å; L332-F341 HydrophobicContact CD2-CD2 3.8Å; L332-F341 HydrophobicContact CD2-CE2 3.68Å; L338-F341 PolarHBondContact O-N 2.77Å; S339-F341 VanDerWaalsContact C-N 3.26Å; S339-F341 PolarHBondContact O-N 2.85Å
342F98.1Very high97.6Very high16 Ų1655.8 Ų55.87%0.0729%0.29CS..SBendtrans-136.6144.6175.4-69.2-89.4000110.7L51 L52 L338 S339 S348 Y349 I352L51-F342 HydrophobicContact CB-CZ 4.36Å; L51-F342 HydrophobicContact CD2-CE1 4.26Å; L51-F342 HydrophobicContact CD2-CZ 4.26Å; L51-F342 HydrophobicContact CG-CZ 4.24Å; L52-F342 HydrophobicContact CB-CE2 3.78Å; L52-F342 HydrophobicContact CB-CZ 4.46Å; L52-F342 HydrophobicContact CD1-CD2 4.11Å; L52-F342 HydrophobicContact CD1-CE2 3.82Å; L52-F342 HydrophobicContact CG-CE2 4.35Å; L338-F342 HydrophobicContact CD1-CD2 4.37Å; L338-F342 PolarHBondContact O-N 3.2Å; L338-F342 VanDerWaalsContact O-N 3.15Å; S339-F342 CarbonylContact C-O 3.48Å; S339-F342 WeakPolarHBondContact CA-O 3.28Å; F342-S348 VanDerWaalsContact CD1-CB 3.48Å; F342-S348 VanDerWaalsContact CE1-CB 3.49Å; F342-Y349 HydrophobicContact CB-CD2 4.25Å; F342-I352 HydrophobicContact CD2-CD1 4.15Å; F342-I352 HydrophobicContact CE2-CD1 3.78Å; F342-I352 HydrophobicContact CZ-CD1 4.14Å
343K98.1Very high97.6Very high158 Ų15858 Ų5869%0.68730%0.302SS*.  trans-64134.4174.9-63.3-175.7177.4-179.80109.7D345 S346 Y349K343-D345 VanDerWaalsContact CB-OD1 3.26Å; K343-D345 WeakPolarHBondContact CB-OD1 3.08Å; K343-D345 PolarHBondContact O-N 2.83Å; K343-S346 WeakPolarHBondContact O-CB 3.44Å; K343-S346 PolarHBondContact O-N 3.34Å; K343-S346 PolarHBondContact O-OG 3.34Å; K343-Y349 WeakPolarHBondContact O-CB 3.08Å
344P97.8Very high97.6Very high74 Ų7459.2 Ų59.248%0.48131%0.31SS..THydrogen-bonded Turntrans-57.2-22.8-176.1-29.736.5000116.3Y349P344-Y349 HydrophobicContact CB-CD1 4.46Å; P344-Y349 HydrophobicContact CB-CE1 4.21Å; P344-Y349 WeakPolarHBondContact O-CD1 3.45Å
345D96.7Very high97.7Very high132 Ų13258 Ų5871%0.70631%0.305SS*.THydrogen-bonded Turntrans-94.2-4.6178.862.9-24.9000113.7K343K343-D345 VanDerWaalsContact CB-OD1 3.26Å; K343-D345 WeakPolarHBondContact CB-OD1 3.08Å; K343-D345 PolarHBondContact O-N 2.83Å
346S98.1Very high97.7Very high31 Ų3155.3 Ų55.322%0.21729%0.286CS..SBendtrans-74.4147.4178.967.70000112.2K343 S348 Y349 L350K343-S346 WeakPolarHBondContact O-CB 3.44Å; K343-S346 PolarHBondContact O-N 3.34Å; K343-S346 PolarHBondContact O-OG 3.34Å; S346-S348 VanDerWaalsContact C-N 3.29Å; S346-S348 PolarHBondContact O-N 3.06Å; S346-Y349 PolarHBondContact O-N 3.15Å; S346-Y349 WeakPolarHBondContact OG-CB 3.43Å; S346-Y349 PolarHBondContact OG-N 2.91Å; S346-L350 PolarHBondContact O-N 3.41Å; S346-L350 VanDerWaalsContact O-N 3.14Å
347S97.4Very high97.7Very high83 Ų8348.2 Ų48.258%0.5826%0.257SS*.Hα-helixtrans-56.1-43.5174.451.60000111.9Y349 L350 N351S347-Y349 VanDerWaalsContact C-N 3.35Å; S347-Y349 PolarHBondContact O-N 2.74Å; S347-L350 PolarHBondContact O-N 3.15Å; S347-N351 WeakPolarHBondContact O-CB 3.03Å; S347-N351 PolarHBondContact O-N 3.35Å; S347-N351 PolarHBondContact O-ND2 3.49Å
348S97.7Very high97.6Very high21 Ų2151.3 Ų51.315%0.14727%0.273CS..Hα-helixtrans-57.5-44.6176.9-53.70000112.3D48 F342 S346 I352D48-S348 VanDerWaalsContact CG-CB 3.49Å; D48-S348 VanDerWaalsContact CG-OG 3.26Å; D48-S348 VanDerWaalsContact OD1-CB 3.3Å; D48-S348 WeakPolarHBondContact OD1-CB 3.3Å; D48-S348 PolarHBondContact OD1-OG 2.74Å; F342-S348 VanDerWaalsContact CD1-CB 3.48Å; F342-S348 VanDerWaalsContact CE1-CB 3.49Å; S346-S348 VanDerWaalsContact C-N 3.29Å; S346-S348 PolarHBondContact O-N 3.06Å; S348-I352 VanDerWaalsContact O-CB 3.31Å; S348-I352 WeakPolarHBondContact O-CB 3.16Å; S348-I352 WeakPolarHBondContact O-CD1 3.44Å; S348-I352 VanDerWaalsContact O-CG1 3.28Å; S348-I352 WeakPolarHBondContact O-CG1 3.39Å; S348-I352 PolarHBondContact O-N 3.31Å
349Y98.4Very high97.5Very high18 Ų1852 Ų527%0.07128%0.276CS..Hα-helixtrans-61-51.8177.4176.1-87.1000111.6P335 L338 F342 K343 P344 S346 S347 N351 L353P335-Y349 WeakPolarHBondContact CA-OH 3.35Å; P335-Y349 WeakPolarHBondContact CB-OH 3.23Å; L338-Y349 HydrophobicContact CB-CD2 4.32Å; L338-Y349 HydrophobicContact CB-CE2 3.89Å; L338-Y349 HydrophobicContact CD2-CD2 3.7Å; L338-Y349 HydrophobicContact CD2-CE2 3.74Å; L338-Y349 HydrophobicContact CD2-CG 4.29Å; L338-Y349 HydrophobicContact CG-CD2 3.66Å; L338-Y349 HydrophobicContact CG-CE2 3.73Å; F342-Y349 HydrophobicContact CB-CD2 4.25Å; K343-Y349 WeakPolarHBondContact O-CB 3.08Å; P344-Y349 HydrophobicContact CB-CD1 4.46Å; P344-Y349 HydrophobicContact CB-CE1 4.21Å; P344-Y349 WeakPolarHBondContact O-CD1 3.45Å; S346-Y349 PolarHBondContact O-N 3.15Å; S346-Y349 WeakPolarHBondContact OG-CB 3.43Å; S346-Y349 PolarHBondContact OG-N 2.91Å; S347-Y349 VanDerWaalsContact C-N 3.35Å; S347-Y349 PolarHBondContact O-N 2.74Å; Y349-N351 VanDerWaalsContact C-N 3.35Å; Y349-N351 PolarHBondContact O-N 3.24Å; Y349-L353 HydrophobicContact CE1-CD2 3.79Å; Y349-L353 VanDerWaalsContact O-CB 3.23Å; Y349-L353 WeakPolarHBondContact O-CB 3.03Å; Y349-L353 PolarHBondContact O-N 3.15Å
350L98Very high97.5Very high96 Ų9650.5 Ų50.550%0.50326%0.263SS..Hα-helixtrans-63.9-42-177.8-65.2173.7000111.4S346 S347 S354S346-L350 PolarHBondContact O-N 3.41Å; S346-L350 VanDerWaalsContact O-N 3.14Å; S347-L350 PolarHBondContact O-N 3.15Å; L350-S354 VanDerWaalsContact O-CB 3.31Å; L350-S354 WeakPolarHBondContact O-CB 3.4Å; L350-S354 PolarHBondContact O-N 3.17Å
351N97.5Very high97.4Very high52 Ų5244.7 Ų44.728%0.27824%0.241SC..Hα-helixtrans-64.5-51.6179-75.5-18000111.6I45 S347 Y349 L353 S354 T355I45-N351 HydrophobicContact CD1-CB 4.13Å; I45-N351 HydrophobicContact CG1-CB 4Å; S347-N351 WeakPolarHBondContact O-CB 3.03Å; S347-N351 PolarHBondContact O-N 3.35Å; S347-N351 PolarHBondContact O-ND2 3.49Å; Y349-N351 VanDerWaalsContact C-N 3.35Å; Y349-N351 PolarHBondContact O-N 3.24Å; N351-L353 PolarHBondContact O-N 3.17Å; N351-S354 PolarHBondContact O-N 3.19Å; N351-S354 PolarHBondContact O-OG 3.33Å; N351-T355 WeakPolarHBondContact O-CG2 3.38Å
352I98.3Very high97.4Very high0 Ų044 Ų440%024%0.238CC..Hα-helixtrans-56.9-53.2176.7-74.4163.3000110.2I45 D48 F49 L52 L338 F342 S348 S354 T355 F356I45-I352 HydrophobicContact CG2-CG1 4.21Å; D48-I352 HydrophobicContact CB-CD1 3.75Å; D48-I352 HydrophobicContact CB-CG1 4.02Å; F49-I352 HydrophobicContact CE1-CG1 4.41Å; F49-I352 HydrophobicContact CE1-CG2 3.86Å; F49-I352 HydrophobicContact CE2-CG1 4.33Å; F49-I352 HydrophobicContact CZ-CB 4.39Å; F49-I352 HydrophobicContact CZ-CG1 4.28Å; F49-I352 HydrophobicContact CZ-CG2 3.88Å; L52-I352 HydrophobicContact CB-CD1 4.35Å; L52-I352 HydrophobicContact CD2-CD1 4.26Å; L52-I352 HydrophobicContact CD2-CG2 4.13Å; L338-I352 HydrophobicContact CD1-CG2 3.95Å; L338-I352 HydrophobicContact CD2-CB 4.41Å; L338-I352 HydrophobicContact CD2-CG2 3.94Å; F342-I352 HydrophobicContact CD2-CD1 4.15Å; F342-I352 HydrophobicContact CE2-CD1 3.78Å; F342-I352 HydrophobicContact CZ-CD1 4.14Å; S348-I352 VanDerWaalsContact O-CB 3.31Å; S348-I352 WeakPolarHBondContact O-CB 3.16Å; S348-I352 WeakPolarHBondContact O-CD1 3.44Å; S348-I352 VanDerWaalsContact O-CG1 3.28Å; S348-I352 WeakPolarHBondContact O-CG1 3.39Å; S348-I352 PolarHBondContact O-N 3.31Å; I352-S354 PolarHBondContact O-N 3.49Å; I352-T355 PolarHBondContact O-N 2.98Å; I352-T355 PolarHBondContact O-OG1 2.78Å; I352-F356 HydrophobicContact CG2-CD2 4.33Å; I352-F356 HydrophobicContact CG2-CE1 4.44Å; I352-F356 HydrophobicContact CG2-CE2 3.39Å; I352-F356 HydrophobicContact CG2-CZ 3.45Å; I352-F356 VanDerWaalsContact CG2-CZ 3.45Å
353L97.8Very high97.3Very high48 Ų4843.6 Ų43.625%0.25124%0.236SC..Hα-helixtrans-58-37.7-177.1-174.464.6000111.8P335 L338 Y349 N351 T355 F356P335-L353 HydrophobicContact CG-CD1 4.17Å; P335-L353 HydrophobicContact CG-CD2 4.29Å; L338-L353 HydrophobicContact CD2-CB 3.91Å; L338-L353 HydrophobicContact CD2-CD1 4.31Å; Y349-L353 HydrophobicContact CE1-CD2 3.79Å; Y349-L353 VanDerWaalsContact O-CB 3.23Å; Y349-L353 WeakPolarHBondContact O-CB 3.03Å; Y349-L353 PolarHBondContact O-N 3.15Å; N351-L353 PolarHBondContact O-N 3.17Å; L353-T355 PolarHBondContact O-N 3.05Å; L353-T355 VanDerWaalsContact O-N 3.14Å; L353-F356 HydrophobicContact CD1-CD2 4.28Å; L353-F356 PolarHBondContact O-N 3.38Å
354S96.5Very high97.1Very high37 Ų3741.4 Ų41.426%0.25923%0.229SC..Hα-helixtrans-61.8-20.4178.577.90000114R41 R149 L350 N351 I352R41-S354 PolarHBondContact NH2-OG 3.15Å; R149-S354 PolarHBondContact NH1-O 2.99Å; R149-S354 VanDerWaalsContact NH1-O 3.11Å; L350-S354 VanDerWaalsContact O-CB 3.31Å; L350-S354 WeakPolarHBondContact O-CB 3.4Å; L350-S354 PolarHBondContact O-N 3.17Å; N351-S354 PolarHBondContact O-N 3.19Å; N351-S354 PolarHBondContact O-OG 3.33Å; I352-S354 PolarHBondContact O-N 3.49Å
355T97.9Very high96.9Very high0 Ų044 Ų440%024%0.235CC..Hα-helixtrans-90-19.9-17971.90000113.8I45 F49 Y105 I148 R149 Q150 N351 I352 L353I45-T355 HydrophobicContact CD1-CG2 3.87Å; F49-T355 WeakPolarHBondContact CZ-OG1 3.48Å; Y105-T355 HydrophobicContact CE1-CG2 4.05Å; I148-T355 HydrophobicContact CD1-CG2 4.01Å; I148-T355 HydrophobicContact CG1-CG2 4.21Å; R149-T355 CarbonylContact C-O 3.5Å; R149-T355 WeakPolarHBondContact CA-O 3.49Å; R149-T355 WeakPolarHBondContact CD-O 3.39Å; Q150-T355 PolarHBondContact N-O 3.45Å; N351-T355 WeakPolarHBondContact O-CG2 3.38Å; I352-T355 PolarHBondContact O-N 2.98Å; I352-T355 PolarHBondContact O-OG1 2.78Å; L353-T355 PolarHBondContact O-N 3.05Å; L353-T355 VanDerWaalsContact O-N 3.14Å
356F97.7Very high96.7Very high10 Ų1038.1 Ų38.14%0.04420%0.203CC..PPolyproline II helixtrans-73.7138-174.9-65.2-49.1000111.8F49 R149 Q150 L332 L338 I352 L353F49-F356 AromaticContact CE1-CE1 3.84Å; F49-F356 HydrophobicContact CE1-CE1 3.84Å; F49-F356 AromaticContact CE1-CZ 3.88Å; F49-F356 HydrophobicContact CE1-CZ 3.88Å; F49-F356 HydrophobicContact CZ-CE1 4.02Å; F49-F356 HydrophobicContact CZ-CZ 4.24Å; R149-F356 PolarHBondContact NH1-O 2.95Å; Q150-F356 VanDerWaalsContact OE1-CE1 3.29Å; L332-F356 HydrophobicContact CB-CZ 4.34Å; L332-F356 WeakPolarHBondContact O-CE2 3.46Å; L338-F356 HydrophobicContact CD2-CE2 4.31Å; I352-F356 HydrophobicContact CG2-CD2 4.33Å; I352-F356 HydrophobicContact CG2-CE1 4.44Å; I352-F356 HydrophobicContact CG2-CE2 3.39Å; I352-F356 HydrophobicContact CG2-CZ 3.45Å; I352-F356 VanDerWaalsContact CG2-CZ 3.45Å; L353-F356 HydrophobicContact CD1-CD2 4.28Å; L353-F356 PolarHBondContact O-N 3.38Å
357A95.6Very high96.5Very high7 Ų738.8 Ų38.86%0.05822%0.215CC..PPolyproline II helixtrans-83.3159.1160.200000109.5Q359 M425A357-Q359 PolarHBondContact O-N 3.4Å; A357-M425 HydrophobicContact CB-CE 3.52Å; A357-M425 HydrophobicContact CB-CG 4.32Å
358H94.8Very high96.4Very high106 Ų10635.3 Ų35.349%0.49119%0.189SC..PPolyproline II helixtrans-64.7133.4176.3-67-73.6000110.6Y360 M425 E426H358-Y360 HydrophobicContact CB-CE2 3.89Å; H358-M425 WeakPolarHBondContact O-CA 3.48Å; H358-E426 HydrophobicContact CB-CG 3.99Å; H358-E426 IonicContact CD2-OE1 3.88Å; H358-E426 IonicContact CD2-OE2 3.92Å; H358-E426 PolarHBondContact CD2-OE2 2.9Å; H358-E426 VanDerWaalsContact CD2-OE2 3.28Å; H358-E426 IonicContact CG-OE1 2.65Å; H358-E426 IonicContact CG-OE2 2.91Å; H358-E426 PolarHBondContact O-N 2.94Å
359Q97.1Very high96.4Very high15 Ų1534.5 Ų34.57%0.0718%0.183CC..EExtended strand (participates in β ladder)trans-130.5138.6-179.4-69.7178.774.600109.6A330 K334 A357 V423 L424 M425A330-Q359 HydrophobicContact CB-CB 4.08Å; K334-Q359 VanDerWaalsContact CE-O 3.31Å; K334-Q359 WeakPolarHBondContact CE-O 3.39Å; K334-Q359 PolarHBondContact NZ-O 3.01Å; A357-Q359 PolarHBondContact O-N 3.4Å; Q359-V423 HydrophobicContact CB-CG1 3.94Å; Q359-V423 HydrophobicContact CG-CG1 4.27Å; Q359-L424 WeakPolarHBondContact CA-O 3.3Å; Q359-M425 HydrophobicContact CG-CB 3.99Å; Q359-M425 HydrophobicContact CG-CG 3.74Å; Q359-M425 HydrophobicContact CG-SD 4.31Å
360Y97.5Very high96.2Very high16 Ų1637.9 Ų37.96%0.06320%0.203CC..EExtended strand (participates in β ladder)trans-128.4126.9-175-53.8-85.6000109.4H358 S369 E373 A377 Y388 V423 L424H358-Y360 HydrophobicContact CB-CE2 3.89Å; Y360-S369 WeakPolarHBondContact CA-OG 3.46Å; Y360-E373 HydrophobicContact CD1-CB 4.21Å; Y360-E373 HydrophobicContact CE1-CB 4.35Å; Y360-A377 HydrophobicContact CD1-CB 3.86Å; Y360-A377 HydrophobicContact CD2-CB 3.72Å; Y360-A377 HydrophobicContact CE1-CB 4.21Å; Y360-A377 HydrophobicContact CE2-CB 4.09Å; Y360-A377 HydrophobicContact CG-CB 3.6Å; Y360-Y388 HydrophobicContact CE2-CE1 4.41Å; Y360-V423 WeakPolarHBondContact O-CA 3.36Å; Y360-L424 PolarHBondContact N-O 3.22Å; Y360-L424 PolarHBondContact O-N 3.36Å
361T97.1Very high96.1Very high1 Ų136.1 Ų36.11%0.00620%0.199CC..EExtended strand (participates in β ladder)trans-72.1157.6161.549.50000109.2I327 M366 I368 S369 I374I327-T361 HydrophobicContact CD1-CG2 3.36Å; T361-M366 HydrophobicContact CG2-CB 3.82Å; T361-M366 HydrophobicContact CG2-CG 4.07Å; T361-I368 HydrophobicContact CG2-CB 3.87Å; T361-I368 HydrophobicContact CG2-CD1 3.96Å; T361-I368 HydrophobicContact CG2-CG1 4.49Å; T361-I368 HydrophobicContact CG2-CG2 4.17Å; T361-S369 PolarHBondContact N-OG 3.34Å; T361-S369 VanDerWaalsContact N-OG 3.14Å; T361-S369 WeakPolarHBondContact OG1-CB 3.41Å; T361-S369 PolarHBondContact OG1-N 3.06Å; T361-S369 PolarHBondContact OG1-OG 3.07Å; T361-I374 WeakPolarHBondContact O-CG1 3.1Å
362L97Very high96.1Very high3 Ų337 Ų372%0.01621%0.213CC..SBendtrans-104.810.2-179.6-59.9-179000113.5I378 L390 L410 I413 M414 R419 L424L362-I378 HydrophobicContact CD2-CG1 4.28Å; L362-L390 HydrophobicContact CD1-CD1 3.78Å; L362-L410 HydrophobicContact CD1-CD1 3.54Å; L362-L410 HydrophobicContact CD2-CD1 4.25Å; L362-I413 HydrophobicContact CD1-CD1 4.13Å; L362-M414 HydrophobicContact CB-SD 4.39Å; L362-M414 HydrophobicContact CD1-SD 4.4Å; L362-R419 HydrophobicContact CB-CB 4.11Å; L362-R419 WeakPolarHBondContact O-CD 3.32Å; L362-L424 HydrophobicContact CD2-CB 3.95Å; L362-L424 HydrophobicContact CD2-CD2 4.4Å
363D95.5Very high96.1Very high7 Ų740 Ų404%0.03723%0.227CC..  trans-143133.4179.4-163.2-56.5000109.5E365 M366 R419 K420D363-E365 VanDerWaalsContact C-N 3.26Å; D363-E365 PolarHBondContact O-N 3.23Å; D363-E365 VanDerWaalsContact OD1-CB 3.26Å; D363-E365 WeakPolarHBondContact OD1-CB 3.13Å; D363-E365 WeakPolarHBondContact OD1-CG 3.41Å; D363-E365 PolarHBondContact OD1-N 3.05Å; D363-M366 HydrophobicContact CB-CG 4.05Å; D363-M366 VanDerWaalsContact O-CB 3.31Å; D363-M366 WeakPolarHBondContact O-CB 3.34Å; D363-M366 VanDerWaalsContact O-CG 3.24Å; D363-M366 WeakPolarHBondContact O-CG 3.37Å; D363-M366 PolarHBondContact O-N 3.18Å; D363-R419 HydrophobicContact CB-CG 4.13Å; D363-R419 IonicContact OD2-CZ 3.97Å; D363-R419 VanDerWaalsContact OD2-CZ 3.23Å; D363-R419 IonicContact OD2-NE 3.33Å; D363-R419 PolarHBondContact OD2-NE 3.42Å; D363-R419 IonicContact OD2-NH2 3.04Å; D363-R419 PolarHBondContact OD2-NH2 3.43Å; D363-K420 HydrophobicContact CB-CG 3.78Å; D363-K420 WeakPolarHBondContact OD2-CE 3.17Å
364E94.3Very high96Very high112 Ų11238.3 Ų38.352%0.52322%0.218SC..G310 helixtrans-68.3-26.4-179.6-65.6174.1-16100112.4M366 G367 S371 I374E364-M366 PolarHBondContact O-N 3.15Å; E364-M366 VanDerWaalsContact O-N 3.11Å; E364-G367 PolarHBondContact O-N 3.32Å; E364-S371 VanDerWaalsContact OE1-CA 3.27Å; E364-S371 WeakPolarHBondContact OE1-CA 3.39Å; E364-S371 WeakPolarHBondContact OE1-CB 3.19Å; E364-S371 PolarHBondContact OE1-OG 2.63Å; E364-S371 PolarHBondContact OE2-OG 2.76Å; E364-S371 VanDerWaalsContact OE2-OG 3.07Å; E364-I374 HydrophobicContact CB-CD1 4.48Å; E364-I374 HydrophobicContact CG-CD1 3.71Å
365E93.2Very high96.1Very high130 Ų13041.5 Ų41.561%0.60723%0.229SC*.G310 helixtrans-63.1-17.5176-67.1-177-163.600112.2P69 D363 G367 K420P69-E365 VanDerWaalsContact CG-O 3.24Å; P69-E365 WeakPolarHBondContact CG-O 3.37Å; D363-E365 VanDerWaalsContact C-N 3.26Å; D363-E365 PolarHBondContact O-N 3.23Å; D363-E365 VanDerWaalsContact OD1-CB 3.26Å; D363-E365 WeakPolarHBondContact OD1-CB 3.13Å; D363-E365 WeakPolarHBondContact OD1-CG 3.41Å; D363-E365 PolarHBondContact OD1-N 3.05Å; E365-G367 PolarHBondContact O-N 2.8Å; E365-K420 IonicContact OE1-NZ 2.78Å; E365-K420 WeakPolarHBondContact OE2-CE 3.38Å; E365-K420 IonicContact OE2-NZ 3.66Å; E365-K420 PolarHBondContact OE2-NZ 3.08Å
366M93Very high96.1Very high8 Ų847.4 Ų47.44%0.03925%0.252CS..G310 helixtrans-69.1-22.5172.7-53.5-58.4-68.500112.1P69 V70 I327 T361 D363 E364 I368 K420P69-M366 HydrophobicContact CB-CE 4.33Å; P69-M366 HydrophobicContact CB-SD 3.54Å; P69-M366 VanDerWaalsContact CB-SD 3.54Å; P69-M366 HydrophobicContact CG-SD 4.35Å; V70-M366 HydrophobicContact CB-CE 4.26Å; I327-M366 HydrophobicContact CD1-CE 3.3Å; I327-M366 HydrophobicContact CG1-CE 3.49Å; I327-M366 VanDerWaalsContact CG1-CE 3.49Å; T361-M366 HydrophobicContact CG2-CB 3.82Å; T361-M366 HydrophobicContact CG2-CG 4.07Å; D363-M366 HydrophobicContact CB-CG 4.05Å; D363-M366 VanDerWaalsContact O-CB 3.31Å; D363-M366 WeakPolarHBondContact O-CB 3.34Å; D363-M366 VanDerWaalsContact O-CG 3.24Å; D363-M366 WeakPolarHBondContact O-CG 3.37Å; D363-M366 PolarHBondContact O-N 3.18Å; E364-M366 PolarHBondContact O-N 3.15Å; E364-M366 VanDerWaalsContact O-N 3.11Å; M366-I368 PolarHBondContact O-N 3.18Å; M366-I368 VanDerWaalsContact O-N 3.08Å; M366-K420 HydrophobicContact SD-CB 3.95Å; M366-K420 HydrophobicContact SD-CD 4.49Å; M366-K420 HydrophobicContact SD-CG 3.97Å
367G93.5Very high96Very high45 Ų4547 Ų4746%0.46425%0.25SS..SBendtrans68.20.917900000116Y337 E364 E365Y337-G367 PolarHBondContact OH-O 2.62Å; E364-G367 PolarHBondContact O-N 3.32Å; E365-G367 PolarHBondContact O-N 2.8Å
368I96.3Very high96.1Very high10 Ų1047.4 Ų47.45%0.05125%0.252CS..SBendtrans-90.8-39.5-176-67.1164.1000112.3V66 I327 A331 K334 Y337 T361 M366V66-I368 HydrophobicContact CG1-CD1 4.33Å; I327-I368 HydrophobicContact CD1-CD1 3.45Å; I327-I368 VanDerWaalsContact CD1-CD1 3.45Å; I327-I368 HydrophobicContact CG1-CD1 3.78Å; A331-I368 HydrophobicContact CB-CD1 3.67Å; A331-I368 HydrophobicContact CB-CG1 3.97Å; K334-I368 HydrophobicContact CG-CG2 4.07Å; Y337-I368 HydrophobicContact CE2-CG1 4.16Å; T361-I368 HydrophobicContact CG2-CB 3.87Å; T361-I368 HydrophobicContact CG2-CD1 3.96Å; T361-I368 HydrophobicContact CG2-CG1 4.49Å; T361-I368 HydrophobicContact CG2-CG2 4.17Å; M366-I368 PolarHBondContact O-N 3.18Å; M366-I368 VanDerWaalsContact O-N 3.08Å
369S96.5Very high96.3Very high3 Ų346.2 Ų46.22%0.02125%0.249CC..SBendtrans-120.2136.7173.9-53.20000109.1Y360 T361 E373Y360-S369 WeakPolarHBondContact CA-OG 3.46Å; T361-S369 PolarHBondContact N-OG 3.34Å; T361-S369 VanDerWaalsContact N-OG 3.14Å; T361-S369 WeakPolarHBondContact OG1-CB 3.41Å; T361-S369 PolarHBondContact OG1-N 3.06Å; T361-S369 PolarHBondContact OG1-OG 3.07Å; S369-E373 VanDerWaalsContact CA-OE2 3.28Å; S369-E373 WeakPolarHBondContact CA-OE2 3.41Å
370D95.8Very high96.3Very high89 Ų8946.2 Ų46.248%0.47625%0.249SC..  trans-82.4170.2177.469.340.2000112.4A372 E373 I374D370-A372 PolarHBondContact O-N 2.87Å; D370-A372 WeakPolarHBondContact OD1-CA 3.23Å; D370-A372 WeakPolarHBondContact OD1-CB 3.5Å; D370-A372 PolarHBondContact OD1-N 3.25Å; D370-E373 PolarHBondContact N-OE2 2.9Å; D370-E373 VanDerWaalsContact N-OE2 3.11Å; D370-E373 PolarHBondContact O-N 2.91Å; D370-E373 PolarHBondContact OD1-N 3.46Å; D370-I374 WeakPolarHBondContact O-CB 3.3Å; D370-I374 WeakPolarHBondContact O-CG1 3.43Å; D370-I374 PolarHBondContact O-N 2.92Å
371S95.8Very high96.3Very high60 Ų6045.5 Ų45.542%0.4225%0.246SC..Hα-helixtrans-51.2-40179.5-42.70000113.4E364 Q375E364-S371 VanDerWaalsContact OE1-CA 3.27Å; E364-S371 WeakPolarHBondContact OE1-CA 3.39Å; E364-S371 WeakPolarHBondContact OE1-CB 3.19Å; E364-S371 PolarHBondContact OE1-OG 2.63Å; E364-S371 PolarHBondContact OE2-OG 2.76Å; E364-S371 VanDerWaalsContact OE2-OG 3.07Å; S371-Q375 VanDerWaalsContact O-CB 3.28Å; S371-Q375 WeakPolarHBondContact O-CB 3.45Å; S371-Q375 PolarHBondContact O-N 2.87Å
372A97.4Very high96.3Very high69 Ų6948.9 Ų48.957%0.5726%0.264SS*.Hα-helixtrans-75.4-43.1-174.800000110.7D370 Q375 Y376D370-A372 PolarHBondContact O-N 2.87Å; D370-A372 WeakPolarHBondContact OD1-CA 3.23Å; D370-A372 WeakPolarHBondContact OD1-CB 3.5Å; D370-A372 PolarHBondContact OD1-N 3.25Å; A372-Q375 PolarHBondContact O-N 3.45Å; A372-Y376 VanDerWaalsContact O-CB 3.25Å; A372-Y376 WeakPolarHBondContact O-CB 3.33Å; A372-Y376 PolarHBondContact O-N 3.36Å
373E96.9Very high96.3Very high63 Ų6355.5 Ų55.529%0.29430%0.299SS..Hα-helixtrans-59.4-45.7172.4-72.6-175.5112.500111.3K334 Y360 S369 D370 Y376 A377K334-E373 IonicContact NZ-OE1 2.62Å; K334-E373 PolarHBondContact NZ-OE1 2.93Å; K334-E373 IonicContact NZ-OE2 2.82Å; Y360-E373 HydrophobicContact CD1-CB 4.21Å; Y360-E373 HydrophobicContact CE1-CB 4.35Å; S369-E373 VanDerWaalsContact CA-OE2 3.28Å; S369-E373 WeakPolarHBondContact CA-OE2 3.41Å; D370-E373 PolarHBondContact N-OE2 2.9Å; D370-E373 VanDerWaalsContact N-OE2 3.11Å; D370-E373 PolarHBondContact O-N 2.91Å; D370-E373 PolarHBondContact OD1-N 3.46Å; E373-Y376 PolarHBondContact O-N 2.81Å; E373-A377 WeakPolarHBondContact O-CB 3.49Å; E373-A377 PolarHBondContact O-N 3.34Å
374I97.4Very high96.4Very high13 Ų1360.6 Ų60.67%0.06732%0.318CS..Hα-helixtrans-61.5-51.8179.3-67.2170.5000110.3T361 E364 D370 Y376 A377 I378T361-I374 WeakPolarHBondContact O-CG1 3.1Å; E364-I374 HydrophobicContact CB-CD1 4.48Å; E364-I374 HydrophobicContact CG-CD1 3.71Å; D370-I374 WeakPolarHBondContact O-CB 3.3Å; D370-I374 WeakPolarHBondContact O-CG1 3.43Å; D370-I374 PolarHBondContact O-N 2.92Å; I374-Y376 VanDerWaalsContact C-N 3.33Å; I374-Y376 PolarHBondContact O-N 3.15Å; I374-A377 PolarHBondContact O-N 3.41Å; I374-I378 HydrophobicContact CG2-CD1 3.6Å; I374-I378 HydrophobicContact CG2-CG1 4.44Å; I374-I378 WeakPolarHBondContact O-CB 3.32Å; I374-I378 VanDerWaalsContact O-CG1 3.27Å; I374-I378 WeakPolarHBondContact O-CG1 3.47Å; I374-I378 PolarHBondContact O-N 3.27Å
375Q97.5Very high96.5Very high105 Ų10556.7 Ų56.749%0.49130%0.302SS..Hα-helixtrans-63-40.2-178.8-17363.167.100111.9S371 A372 N379S371-Q375 VanDerWaalsContact O-CB 3.28Å; S371-Q375 WeakPolarHBondContact O-CB 3.45Å; S371-Q375 PolarHBondContact O-N 2.87Å; A372-Q375 PolarHBondContact O-N 3.45Å; Q375-N379 VanDerWaalsContact NE2-CG 3.34Å; Q375-N379 PolarHBondContact NE2-ND2 3.27Å; Q375-N379 PolarHBondContact NE2-OD1 3.39Å; Q375-N379 VanDerWaalsContact O-CB 3.31Å; Q375-N379 WeakPolarHBondContact O-CB 3.25Å; Q375-N379 PolarHBondContact O-N 2.88Å; Q375-N379 PolarHBondContact O-ND2 3.09Å
376Y97.6Very high96.5Very high124 Ų12455.2 Ų55.249%0.48630%0.298SS..Hα-helixtrans-59.8-54.2174.1168.8-95000111A372 E373 I374 I378 N379 D380A372-Y376 VanDerWaalsContact O-CB 3.25Å; A372-Y376 WeakPolarHBondContact O-CB 3.33Å; A372-Y376 PolarHBondContact O-N 3.36Å; E373-Y376 PolarHBondContact O-N 2.81Å; I374-Y376 VanDerWaalsContact C-N 3.33Å; I374-Y376 PolarHBondContact O-N 3.15Å; Y376-I378 VanDerWaalsContact C-N 3.31Å; Y376-I378 PolarHBondContact O-N 2.85Å; Y376-N379 PolarHBondContact O-N 2.95Å; Y376-D380 WeakPolarHBondContact O-CB 3.39Å; Y376-D380 PolarHBondContact O-N 3.2Å
377A97.1Very high96.6Very high1 Ų156.7 Ų56.71%0.00831%0.306CS..Hα-helixtrans-62-39.8-175.900000111.8Y360 E373 I374 C381 L424Y360-A377 HydrophobicContact CD1-CB 3.86Å; Y360-A377 HydrophobicContact CD2-CB 3.72Å; Y360-A377 HydrophobicContact CE1-CB 4.21Å; Y360-A377 HydrophobicContact CE2-CB 4.09Å; Y360-A377 HydrophobicContact CG-CB 3.6Å; E373-A377 WeakPolarHBondContact O-CB 3.49Å; E373-A377 PolarHBondContact O-N 3.34Å; I374-A377 PolarHBondContact O-N 3.41Å; A377-C381 WeakPolarHBondContact O-CB 3.39Å; A377-C381 PolarHBondContact O-N 3.41Å; A377-L424 HydrophobicContact CB-CD2 4.06Å
378I97.3Very high96.8Very high16 Ų1654.7 Ų54.78%0.08228%0.284CS..Hα-helixtrans-64.5-51.8175.4-68.1166.8000110.9L362 I374 Y376 D380 C381 L382 L410 M414L362-I378 HydrophobicContact CD2-CG1 4.28Å; I374-I378 HydrophobicContact CG2-CD1 3.6Å; I374-I378 HydrophobicContact CG2-CG1 4.44Å; I374-I378 WeakPolarHBondContact O-CB 3.32Å; I374-I378 VanDerWaalsContact O-CG1 3.27Å; I374-I378 WeakPolarHBondContact O-CG1 3.47Å; I374-I378 PolarHBondContact O-N 3.27Å; Y376-I378 VanDerWaalsContact C-N 3.31Å; Y376-I378 PolarHBondContact O-N 2.85Å; I378-D380 VanDerWaalsContact C-N 3.28Å; I378-D380 PolarHBondContact O-N 3.2Å; I378-C381 PolarHBondContact O-N 2.92Å; I378-L382 HydrophobicContact CG2-CD1 3.94Å; I378-L382 HydrophobicContact CG2-CG 4.36Å; I378-L382 WeakPolarHBondContact O-CB 3.15Å; I378-L382 VanDerWaalsContact O-CG 3.28Å; I378-L382 WeakPolarHBondContact O-CG 3.26Å; I378-L382 PolarHBondContact O-N 3.46Å; I378-L410 HydrophobicContact CG2-CD2 4.44Å; I378-M414 HydrophobicContact CD1-CE 3.41Å; I378-M414 VanDerWaalsContact CD1-CE 3.41Å; I378-M414 HydrophobicContact CD1-SD 3.83Å
379N97.7Very high96.8Very high80 Ų8054.7 Ų54.743%0.42829%0.285SS..Hα-helixtrans-59.8-43.7-178.6-75-14.4000111.3Q375 Y376 L382 L383Q375-N379 VanDerWaalsContact NE2-CG 3.34Å; Q375-N379 PolarHBondContact NE2-ND2 3.27Å; Q375-N379 PolarHBondContact NE2-OD1 3.39Å; Q375-N379 VanDerWaalsContact O-CB 3.31Å; Q375-N379 WeakPolarHBondContact O-CB 3.25Å; Q375-N379 PolarHBondContact O-N 2.88Å; Q375-N379 PolarHBondContact O-ND2 3.09Å; Y376-N379 PolarHBondContact O-N 2.95Å; N379-L382 PolarHBondContact O-N 3.27Å; N379-L383 WeakPolarHBondContact O-CG 3Å; N379-L383 PolarHBondContact O-N 3.1Å
380D97.7Very high96.8Very high16 Ų1654.5 Ų54.59%0.08628%0.284CS..Hα-helixtrans-67.7-42.1179.6-167.454000112.1Y376 I378 L382 L383 R384 Y388Y376-D380 WeakPolarHBondContact O-CB 3.39Å; Y376-D380 PolarHBondContact O-N 3.2Å; I378-D380 VanDerWaalsContact C-N 3.28Å; I378-D380 PolarHBondContact O-N 3.2Å; D380-L382 VanDerWaalsContact C-N 3.34Å; D380-L382 PolarHBondContact O-N 3.33Å; D380-L383 PolarHBondContact O-N 3.3Å; D380-L383 VanDerWaalsContact O-N 3.15Å; D380-R384 VanDerWaalsContact CG-NH2 3.3Å; D380-R384 PolarHBondContact O-N 2.93Å; D380-R384 IonicContact OD1-CZ 3.28Å; D380-R384 IonicContact OD1-NE 3.51Å; D380-R384 PolarHBondContact OD1-NE 2.75Å; D380-R384 IonicContact OD1-NH2 3.87Å; D380-R384 PolarHBondContact OD1-NH2 3.1Å; D380-R384 IonicContact OD2-CZ 2.9Å; D380-R384 IonicContact OD2-NE 3.96Å; D380-R384 IonicContact OD2-NH2 3.33Å; D380-R384 PolarHBondContact OD2-NH2 3.41Å; D380-Y388 HydrophobicContact CB-CE2 4.26Å; D380-Y388 VanDerWaalsContact OD2-CE2 3.27Å; D380-Y388 WeakPolarHBondContact OD2-CE2 3.32Å; D380-Y388 PolarHBondContact OD2-OH 3.39Å
381C97.7Very high96.8Very high0 Ų051 Ų510%026%0.264CS..Hα-helixtrans-61.6-40.5175.21790000112.5A377 I378 L383 R384 P385 Y388 L406 L424A377-C381 WeakPolarHBondContact O-CB 3.39Å; A377-C381 PolarHBondContact O-N 3.41Å; I378-C381 PolarHBondContact O-N 2.92Å; C381-L383 VanDerWaalsContact C-N 3.26Å; C381-L383 PolarHBondContact O-N 2.76Å; C381-R384 CarbonylContact O-C 3.55Å; C381-R384 PolarHBondContact O-N 3.35Å; C381-P385 WeakPolarHBondContact O-CA 3.48Å; C381-P385 WeakPolarHBondContact O-CD 3.32Å; C381-Y388 HydrophobicContact CB-CD2 3.61Å; C381-Y388 HydrophobicContact CB-CE2 3.92Å; C381-Y388 HydrophobicContact CB-CG 3.94Å; C381-L406 WeakPolarHBondContact SG-CD2 3.3Å; C381-L424 HydrophobicContact CB-CD2 3.93Å
382L96.9Very high96.7Very high72 Ų7248.7 Ų48.738%0.37725%0.248SC..Hα-helixtrans-65.8-28.9176.2-70176000112.8I378 N379 D380 V407 L410 K411I378-L382 HydrophobicContact CG2-CD1 3.94Å; I378-L382 HydrophobicContact CG2-CG 4.36Å; I378-L382 WeakPolarHBondContact O-CB 3.15Å; I378-L382 VanDerWaalsContact O-CG 3.28Å; I378-L382 WeakPolarHBondContact O-CG 3.26Å; I378-L382 PolarHBondContact O-N 3.46Å; N379-L382 PolarHBondContact O-N 3.27Å; D380-L382 VanDerWaalsContact C-N 3.34Å; D380-L382 PolarHBondContact O-N 3.33Å; L382-V407 HydrophobicContact CD2-CG1 3.89Å; L382-L410 HydrophobicContact CD2-CD2 4.45Å; L382-K411 HydrophobicContact CD2-CG 4.48Å
383L97.2Very high96.4Very high142 Ų14246.1 Ų46.174%0.74322%0.224SC*.Hα-helixtrans-83.4-34.9175.5-69.3171.1000112.6N379 D380 C381N379-L383 WeakPolarHBondContact O-CG 3Å; N379-L383 PolarHBondContact O-N 3.1Å; D380-L383 PolarHBondContact O-N 3.3Å; D380-L383 VanDerWaalsContact O-N 3.15Å; C381-L383 VanDerWaalsContact C-N 3.26Å; C381-L383 PolarHBondContact O-N 2.76Å
384R96.6Very high95.9Very high115 Ų11546.5 Ų46.543%0.43422%0.223SC..  trans-137.666.6-171.1-61.4-174.5-76.6168.6-7.4110.5D380 C381 D386 N387D380-R384 VanDerWaalsContact CG-NH2 3.3Å; D380-R384 PolarHBondContact O-N 2.93Å; D380-R384 IonicContact OD1-CZ 3.28Å; D380-R384 IonicContact OD1-NE 3.51Å; D380-R384 PolarHBondContact OD1-NE 2.75Å; D380-R384 IonicContact OD1-NH2 3.87Å; D380-R384 PolarHBondContact OD1-NH2 3.1Å; D380-R384 IonicContact OD2-CZ 2.9Å; D380-R384 IonicContact OD2-NE 3.96Å; D380-R384 IonicContact OD2-NH2 3.33Å; D380-R384 PolarHBondContact OD2-NH2 3.41Å; C381-R384 CarbonylContact O-C 3.55Å; C381-R384 PolarHBondContact O-N 3.35Å; R384-D386 PolarHBondContact O-N 3.42Å; R384-N387 HydrophobicContact CB-CB 4.44Å; R384-N387 WeakPolarHBondContact O-CB 3.34Å; R384-N387 PolarHBondContact O-N 3.36Å
385P96.4Very high95Very high29 Ų2947.1 Ų47.119%0.18823%0.225CC..G310 helixtrans-64.8-26.1-171.925.2-35.3000113.5C381 N387 Y388 V407C381-P385 WeakPolarHBondContact O-CA 3.48Å; C381-P385 WeakPolarHBondContact O-CD 3.32Å; P385-N387 PolarHBondContact O-N 2.54Å; P385-Y388 PolarHBondContact O-N 2.55Å; P385-Y388 VanDerWaalsContact O-N 3.14Å; P385-V407 HydrophobicContact CB-CG2 3.62Å; P385-V407 HydrophobicContact CG-CG2 4.15Å
386D94Very high93.6Very high100 Ų10043.8 Ų43.854%0.53522%0.22SC..G310 helixtrans-66.7-15.6176.8-71.5-39.6000113.8R384 Y388 R427R384-D386 PolarHBondContact O-N 3.42Å; D386-Y388 VanDerWaalsContact C-N 3.27Å; D386-R427 WeakPolarHBondContact O-CD 3.44Å; D386-R427 IonicContact OD1-NH1 3.38Å
387N95.4Very high92.4Very high38 Ų3840.3 Ų40.320%0.20322%0.222CC..G310 helixtrans-83.8-1.3176-73.46.8000113.1R384 P385 R427R384-N387 HydrophobicContact CB-CB 4.44Å; R384-N387 WeakPolarHBondContact O-CB 3.34Å; R384-N387 PolarHBondContact O-N 3.36Å; P385-N387 PolarHBondContact O-N 2.54Å; N387-R427 WeakPolarHBondContact O-CB 3.22Å; N387-R427 PolarHBondContact O-N 3.07Å
388Y97.1Very high91.5Very high3 Ų342 Ų421%0.01224%0.239CC..EExtended strand (participates in β ladder)trans-133160.4-174.8-64.5-88.5000112.7Y360 D380 C381 P385 D386 L406 L424 M425 E426Y360-Y388 HydrophobicContact CE2-CE1 4.41Å; D380-Y388 HydrophobicContact CB-CE2 4.26Å; D380-Y388 VanDerWaalsContact OD2-CE2 3.27Å; D380-Y388 WeakPolarHBondContact OD2-CE2 3.32Å; D380-Y388 PolarHBondContact OD2-OH 3.39Å; C381-Y388 HydrophobicContact CB-CD2 3.61Å; C381-Y388 HydrophobicContact CB-CE2 3.92Å; C381-Y388 HydrophobicContact CB-CG 3.94Å; P385-Y388 PolarHBondContact O-N 2.55Å; P385-Y388 VanDerWaalsContact O-N 3.14Å; D386-Y388 VanDerWaalsContact C-N 3.27Å; Y388-L406 WeakPolarHBondContact O-CD1 3.42Å; Y388-L424 HydrophobicContact CD1-CD1 4.16Å; Y388-L424 HydrophobicContact CD1-CD2 4.09Å; Y388-L424 HydrophobicContact CD1-CG 3.81Å; Y388-L424 HydrophobicContact CE1-CD2 4.45Å; Y388-L424 HydrophobicContact CG-CD1 4.23Å; Y388-L424 HydrophobicContact CG-CG 4.35Å; Y388-M425 CarbonylContact C-O 3.52Å; Y388-M425 WeakPolarHBondContact CA-O 3.27Å; Y388-E426 HydrophobicContact CE1-CG 4.15Å
389V96.2Very high91Very high10 Ų1044 Ų446%0.06125%0.249CC..EExtended strand (participates in β ladder)trans-132.5133.3165.859.10000108.3K391 N400 F402 M425V389-K391 HydrophobicContact CG1-CG 4.33Å; V389-K391 HydrophobicContact CG2-CG 4.17Å; V389-N400 HydrophobicContact CG2-CB 3.83Å; V389-F402 HydrophobicContact CB-CD1 4.25Å; V389-F402 HydrophobicContact CB-CE1 3.94Å; V389-F402 HydrophobicContact CG2-CD1 3.95Å; V389-F402 HydrophobicContact CG2-CE1 3.42Å; V389-F402 VanDerWaalsContact CG2-CE1 3.42Å; V389-F402 HydrophobicContact CG2-CE2 4.36Å; V389-F402 HydrophobicContact CG2-CZ 3.66Å; V389-M425 HydrophobicContact CG1-CB 3.93Å; V389-M425 HydrophobicContact CG1-CG 4.37Å; V389-M425 PolarHBondContact N-O 2.88Å; V389-M425 PolarHBondContact O-N 3.3Å
390L97.2Very high90.7Very high0 Ų042 Ų420%024%0.239CC..EExtended strand (participates in β ladder)trans-99.1120.2175.1-179.572.9000108.9L362 Y401 L406 K409 I413 Y422 L424L362-L390 HydrophobicContact CD1-CD1 3.78Å; L390-Y401 HydrophobicContact CD2-CD2 4.34Å; L390-Y401 PolarHBondContact N-O 3.33Å; L390-Y401 VanDerWaalsContact N-O 3.15Å; L390-Y401 PolarHBondContact O-N 3Å; L390-L406 HydrophobicContact CB-CD1 4.04Å; L390-L406 HydrophobicContact CB-CD2 4.3Å; L390-L406 HydrophobicContact CB-CG 3.66Å; L390-K409 HydrophobicContact CD2-CB 4.13Å; L390-K409 HydrophobicContact CD2-CG 3.86Å; L390-I413 HydrophobicContact CD2-CD1 4.27Å; L390-Y422 HydrophobicContact CD1-CD1 4.22Å; L390-Y422 HydrophobicContact CD1-CG 4.27Å; L390-Y422 HydrophobicContact CD2-CD1 4.04Å; L390-Y422 HydrophobicContact CG-CD1 3.84Å; L390-Y422 HydrophobicContact CG-CG 4.38Å; L390-L424 HydrophobicContact CB-CD1 4.33Å; L390-L424 HydrophobicContact CD1-CB 4.4Å; L390-L424 HydrophobicContact CD1-CD1 4.27Å
391K95.7Very high90.6Very high15 Ų1543.7 Ų43.77%0.06525%0.245CC..EExtended strand (participates in β ladder)trans-113.6122.8-174.5-56.8-166.9173.3178.80110.7V151 V389 N400 Y422 V423 M425V151-K391 PolarHBondContact O-NZ 3.48Å; V389-K391 HydrophobicContact CG1-CG 4.33Å; V389-K391 HydrophobicContact CG2-CG 4.17Å; K391-N400 WeakPolarHBondContact CG-OD1 3.32Å; K391-Y422 WeakPolarHBondContact O-CA 3.25Å; K391-V423 PolarHBondContact N-O 2.76Å; K391-V423 PolarHBondContact O-N 3.42Å; K391-M425 HydrophobicContact CD-SD 4.3Å; K391-M425 PolarHBondContact NZ-SD 3.43Å
392P94.1Very high90.4Very high12 Ų1245 Ų458%0.07825%0.25CS..EExtended strand (participates in β ladder)trans-75.1165.5171.130.5-33.6000112.2R394 N399 L421 Y422P392-R394 HydrophobicContact CB-CG 4.36Å; P392-R394 HydrophobicContact CG-CB 4.37Å; P392-R394 PolarHBondContact O-N 3.26Å; P392-N399 WeakPolarHBondContact CD-O 3.47Å; P392-N399 HydrophobicContact CG-CB 3.68Å; P392-N399 VanDerWaalsContact CG-O 3.24Å; P392-N399 WeakPolarHBondContact CG-O 3.41Å; P392-L421 CarbonylContact C-O 3.49Å; P392-L421 VanDerWaalsContact CA-O 3.25Å; P392-L421 WeakPolarHBondContact CA-O 3.42Å; P392-Y422 HydrophobicContact CB-CD1 3.95Å; P392-Y422 HydrophobicContact CB-CE1 3.68Å; P392-Y422 HydrophobicContact CG-CE1 4.49Å
393Q89.6Confident90.2Very high14 Ų1442.1 Ų42.17%0.06524%0.238CC..SBendtrans-71.754.4170.1-61.3-56.1-31.200112.3V70 L421V70-Q393 HydrophobicContact CG2-CG 4.24Å; Q393-L421 WeakPolarHBondContact CG-O 3.44Å; Q393-L421 PolarHBondContact N-O 3.24Å
394R87.6Confident90.1Very high71 Ų7140.9 Ų40.927%0.26823%0.229SC..  trans-132.3133.8179.8-62.3-67.3171.4-113.48.5109.8D74 P392 N399D74-R394 IonicContact OD1-CZ 2.65Å; D74-R394 IonicContact OD1-NH1 2.96Å; D74-R394 PolarHBondContact OD1-NH1 3.37Å; D74-R394 IonicContact OD1-NH2 3.62Å; D74-R394 PolarHBondContact OD1-NH2 2.81Å; D74-R394 IonicContact OD2-CZ 3.35Å; D74-R394 IonicContact OD2-NH1 3.61Å; D74-R394 PolarHBondContact OD2-NH1 3.16Å; D74-R394 IonicContact OD2-NH2 3.62Å; P392-R394 HydrophobicContact CB-CG 4.36Å; P392-R394 HydrophobicContact CG-CB 4.37Å; P392-R394 PolarHBondContact O-N 3.26Å; R394-N399 HydrophobicContact CB-CB 4.47Å
395E78.3Confident90.1Very high26 Ų2640.5 Ų40.512%0.12123%0.232CC..  trans-88.7156.3173.9-65.1-55.2140.300110.8Y290 K326Y290-E395 HydrophobicContact CD2-CB 4.09Å; K326-E395 WeakPolarHBondContact CE-OE1 3.35Å; K326-E395 IonicContact NZ-OE1 3.97Å; K326-E395 IonicContact NZ-OE2 3.14Å
396G68.9Low90.1Very high36 Ų3639.1 Ų39.137%0.37122%0.223SC..SBendtrans90.6163.2-172.700000113.3N399G396-N399 PolarHBondContact O-ND2 3.1Å; G396-N399 VanDerWaalsContact O-ND2 3.07Å
397G71.3Confident90.3Very high51 Ų5134.8 Ų34.853%0.52620%0.2SC..SBendtrans-82.1156.8-175.400000113.7
398G78.8Confident90.3Very high36 Ų3638.4 Ų38.437%0.37122%0.215SC..SBendtrans9611174.100000116E488G398-E488 VanDerWaalsContact N-CD 3.26Å; G398-E488 PolarHBondContact N-OE2 3.37Å
399N86.4Confident90.4Very high57 Ų5740 Ų4031%0.30522%0.222SC..  trans-105.9-8.5-173.4-63-58.4000113.9P392 R394 G396 Y401 E488P392-N399 WeakPolarHBondContact CD-O 3.47Å; P392-N399 HydrophobicContact CG-CB 3.68Å; P392-N399 VanDerWaalsContact CG-O 3.24Å; P392-N399 WeakPolarHBondContact CG-O 3.41Å; R394-N399 HydrophobicContact CB-CB 4.47Å; G396-N399 PolarHBondContact O-ND2 3.1Å; G396-N399 VanDerWaalsContact O-ND2 3.07Å; N399-Y401 WeakPolarHBondContact O-CE2 3.25Å; N399-E488 PolarHBondContact N-OE1 2.82Å
400N91.9Very high90.4Very high39 Ų3939.6 Ų39.621%0.20922%0.22CC..  trans-90.8147.9-169.2-55-57.4000111.4V389 K391 F402 E488V389-N400 HydrophobicContact CG2-CB 3.83Å; K391-N400 WeakPolarHBondContact CG-OD1 3.32Å; N400-F402 HydrophobicContact CB-CD2 4.46Å; N400-F402 HydrophobicContact CB-CE2 3.55Å; N400-F402 HydrophobicContact CB-CZ 3.75Å; N400-F402 WeakPolarHBondContact O-CD2 3.45Å; N400-F402 WeakPolarHBondContact O-CE2 3.49Å; N400-E488 WeakPolarHBondContact CB-OE1 3.4Å; N400-E488 PolarHBondContact N-OE1 3.3Å; N400-E488 VanDerWaalsContact N-OE1 3.1Å; N400-E488 PolarHBondContact ND2-OE1 2.67Å
401Y94.9Very high90.4Very high52 Ų5246 Ų4620%0.20425%0.248CC..BIsolated β-bridgetrans-106.6139.7179.2-54.6-98.3000110.5L390 N399 E405 L406 K409 Y422L390-Y401 HydrophobicContact CD2-CD2 4.34Å; L390-Y401 PolarHBondContact N-O 3.33Å; L390-Y401 VanDerWaalsContact N-O 3.15Å; L390-Y401 PolarHBondContact O-N 3Å; N399-Y401 WeakPolarHBondContact O-CE2 3.25Å; Y401-E405 HydrophobicContact CD1-CG 3.9Å; Y401-E405 WeakPolarHBondContact CD1-OE1 3.46Å; Y401-L406 WeakPolarHBondContact O-CD1 2.91Å; Y401-K409 HydrophobicContact CD1-CB 3.83Å; Y401-K409 HydrophobicContact CD1-CG 3.99Å; Y401-K409 HydrophobicContact CD2-CG 4.17Å; Y401-K409 HydrophobicContact CE1-CB 4.08Å; Y401-K409 HydrophobicContact CE1-CD 4.12Å; Y401-K409 HydrophobicContact CE1-CG 3.86Å; Y401-K409 HydrophobicContact CE2-CG 4.08Å; Y401-K409 HydrophobicContact CG-CB 4.12Å; Y401-K409 HydrophobicContact CG-CG 4.14Å; Y401-Y422 HydrophobicContact CD2-CE1 4.42Å; Y401-Y422 AromaticContact CE2-CE1 3.87Å; Y401-Y422 HydrophobicContact CE2-CE1 3.87Å
402F93.9Very high90.4Very high26 Ų2648 Ų4811%0.11426%0.264CS..  trans-134.6152.9-176-57.4-94.4000111.3V389 N400 E404 E405 L406 N487V389-F402 HydrophobicContact CB-CD1 4.25Å; V389-F402 HydrophobicContact CB-CE1 3.94Å; V389-F402 HydrophobicContact CG2-CD1 3.95Å; V389-F402 HydrophobicContact CG2-CE1 3.42Å; V389-F402 VanDerWaalsContact CG2-CE1 3.42Å; V389-F402 HydrophobicContact CG2-CE2 4.36Å; V389-F402 HydrophobicContact CG2-CZ 3.66Å; N400-F402 HydrophobicContact CB-CD2 4.46Å; N400-F402 HydrophobicContact CB-CE2 3.55Å; N400-F402 HydrophobicContact CB-CZ 3.75Å; N400-F402 WeakPolarHBondContact O-CD2 3.45Å; N400-F402 WeakPolarHBondContact O-CE2 3.49Å; F402-E404 PolarHBondContact O-N 2.65Å; F402-E405 WeakPolarHBondContact O-CB 3.25Å; F402-E405 PolarHBondContact O-N 3.03Å; F402-E405 VanDerWaalsContact O-N 3.17Å; F402-L406 PolarHBondContact O-N 2.88Å; F402-N487 HydrophobicContact CD1-CB 4.47Å; F402-N487 HydrophobicContact CD2-CB 3.6Å; F402-N487 HydrophobicContact CE2-CB 3.69Å; F402-N487 HydrophobicContact CG-CB 4.01Å; F402-N487 HydrophobicContact CZ-CB 4.18Å; F402-N487 WeakPolarHBondContact CZ-O 3.45Å
403G93.5Very high90.5Very high12 Ų1247.5 Ų47.512%0.12426%0.26CS..Hα-helixtrans54.2-128.7171.700000113.2E405 L406 V407G403-E405 VanDerWaalsContact C-N 3.34Å; G403-E405 PolarHBondContact O-N 2.9Å; G403-L406 VanDerWaalsContact O-CB 3.29Å; G403-L406 WeakPolarHBondContact O-CB 3.49Å; G403-L406 PolarHBondContact O-N 3.32Å; G403-V407 PolarHBondContact O-N 2.8Å
404E94.5Very high90.7Very high117 Ų11748.6 Ų48.655%0.54727%0.266SS..Hα-helixtrans-64.1-36.5-179.2-176.256.7-148.300112.9F402 L406 V407 Q408F402-E404 PolarHBondContact O-N 2.65Å; E404-L406 VanDerWaalsContact C-N 3.29Å; E404-L406 PolarHBondContact O-N 2.75Å; E404-V407 PolarHBondContact O-N 3.23Å; E404-Q408 WeakPolarHBondContact O-CG 3.35Å; E404-Q408 PolarHBondContact O-N 2.97Å; E404-Q408 PolarHBondContact OE1-NE2 3.29Å; E404-Q408 VanDerWaalsContact OE1-NE2 3.13Å
405E95.6Very high91Very high107 Ų10752.1 Ų52.150%0.529%0.29SS..Hα-helixtrans-64.4-37.9177.9-159.2-166.6162.400111.2Y401 F402 G403 Q408 K409Y401-E405 HydrophobicContact CD1-CG 3.9Å; Y401-E405 WeakPolarHBondContact CD1-OE1 3.46Å; F402-E405 WeakPolarHBondContact O-CB 3.25Å; F402-E405 PolarHBondContact O-N 3.03Å; F402-E405 VanDerWaalsContact O-N 3.17Å; G403-E405 VanDerWaalsContact C-N 3.34Å; G403-E405 PolarHBondContact O-N 2.9Å; E405-Q408 PolarHBondContact O-N 2.95Å; E405-K409 WeakPolarHBondContact O-CB 3.45Å; E405-K409 PolarHBondContact O-N 3.18Å
406L96.8Very high91.7Very high0 Ų056.2 Ų56.20%031%0.309CS..Hα-helixtrans-57.8-52.4171.7-171.3167.2000110.4C381 Y388 L390 Y401 F402 G403 E404 Q408 K409 L410 L424C381-L406 WeakPolarHBondContact SG-CD2 3.3Å; Y388-L406 WeakPolarHBondContact O-CD1 3.42Å; L390-L406 HydrophobicContact CB-CD1 4.04Å; L390-L406 HydrophobicContact CB-CD2 4.3Å; L390-L406 HydrophobicContact CB-CG 3.66Å; Y401-L406 WeakPolarHBondContact O-CD1 2.91Å; F402-L406 PolarHBondContact O-N 2.88Å; G403-L406 VanDerWaalsContact O-CB 3.29Å; G403-L406 WeakPolarHBondContact O-CB 3.49Å; G403-L406 PolarHBondContact O-N 3.32Å; E404-L406 VanDerWaalsContact C-N 3.29Å; E404-L406 PolarHBondContact O-N 2.75Å; L406-Q408 VanDerWaalsContact C-N 3.33Å; L406-Q408 PolarHBondContact O-N 3.41Å; L406-K409 PolarHBondContact O-N 2.83Å; L406-L410 HydrophobicContact CD2-CB 4.33Å; L406-L410 HydrophobicContact CD2-CD2 4.37Å; L406-L410 VanDerWaalsContact O-CB 3.26Å; L406-L410 WeakPolarHBondContact O-CB 3.43Å; L406-L410 PolarHBondContact O-N 3.14Å; L406-L424 HydrophobicContact CD1-CD1 4.34Å; L406-L424 HydrophobicContact CD2-CD1 4.26Å
407V97.6Very high92.9Very high9 Ų958 Ų586%0.05532%0.316CS..Hα-helixtrans-59.4-44.7-177.8172.80000111.3L382 P385 G403 E404 K411L382-V407 HydrophobicContact CD2-CG1 3.89Å; P385-V407 HydrophobicContact CB-CG2 3.62Å; P385-V407 HydrophobicContact CG-CG2 4.15Å; G403-V407 PolarHBondContact O-N 2.8Å; E404-V407 PolarHBondContact O-N 3.23Å; V407-K411 HydrophobicContact CG1-CD 4.09Å; V407-K411 WeakPolarHBondContact O-CB 3.33Å; V407-K411 WeakPolarHBondContact O-CG 3.22Å; V407-K411 PolarHBondContact O-N 2.95Å
408Q97.4Very high93.9Very high113 Ų11358.8 Ų58.853%0.52831%0.306SS..Hα-helixtrans-62.8-47.6177.7-70.2175.211.200111.3E404 E405 L406 K411 S412E404-Q408 WeakPolarHBondContact O-CG 3.35Å; E404-Q408 PolarHBondContact O-N 2.97Å; E404-Q408 PolarHBondContact OE1-NE2 3.29Å; E404-Q408 VanDerWaalsContact OE1-NE2 3.13Å; E405-Q408 PolarHBondContact O-N 2.95Å; L406-Q408 VanDerWaalsContact C-N 3.33Å; L406-Q408 PolarHBondContact O-N 3.41Å; Q408-K411 PolarHBondContact O-N 3.28Å; Q408-S412 WeakPolarHBondContact O-CB 3.4Å; Q408-S412 PolarHBondContact O-N 3.38Å
409K97.2Very high94.7Very high36 Ų3660.5 Ų60.516%0.15730%0.301CS..Hα-helixtrans-63.3-45.5179-174.760.4-178.2164.40111.2L390 Y401 E405 L406 K411 S412 I413 E418 Y422L390-K409 HydrophobicContact CD2-CB 4.13Å; L390-K409 HydrophobicContact CD2-CG 3.86Å; Y401-K409 HydrophobicContact CD1-CB 3.83Å; Y401-K409 HydrophobicContact CD1-CG 3.99Å; Y401-K409 HydrophobicContact CD2-CG 4.17Å; Y401-K409 HydrophobicContact CE1-CB 4.08Å; Y401-K409 HydrophobicContact CE1-CD 4.12Å; Y401-K409 HydrophobicContact CE1-CG 3.86Å; Y401-K409 HydrophobicContact CE2-CG 4.08Å; Y401-K409 HydrophobicContact CG-CB 4.12Å; Y401-K409 HydrophobicContact CG-CG 4.14Å; E405-K409 WeakPolarHBondContact O-CB 3.45Å; E405-K409 PolarHBondContact O-N 3.18Å; L406-K409 PolarHBondContact O-N 2.83Å; K409-K411 PolarHBondContact O-N 3.21Å; K409-S412 PolarHBondContact O-N 3.41Å; K409-S412 VanDerWaalsContact O-N 3.1Å; K409-S412 PolarHBondContact O-OG 2.96Å; K409-I413 HydrophobicContact CD-CG2 4.16Å; K409-I413 WeakPolarHBondContact O-CG1 3.44Å; K409-I413 PolarHBondContact O-N 2.72Å; K409-E418 IonicContact NZ-OE1 3.3Å; K409-E418 PolarHBondContact NZ-OE1 3.27Å; K409-E418 IonicContact NZ-OE2 2.72Å; K409-Y422 WeakPolarHBondContact CE-OH 3.48Å; K409-Y422 HydrophobicContact CG-CE1 4.49Å; K409-Y422 PolarHBondContact NZ-OH 2.87Å
410L97.1Very high95.1Very high2 Ų258.6 Ų58.61%0.0129%0.29CS..Hα-helixtrans-56.5-52.5177.7-174.264000110.8L362 I378 L382 L406 S412 I413 M414L362-L410 HydrophobicContact CD1-CD1 3.54Å; L362-L410 HydrophobicContact CD2-CD1 4.25Å; I378-L410 HydrophobicContact CG2-CD2 4.44Å; L382-L410 HydrophobicContact CD2-CD2 4.45Å; L406-L410 HydrophobicContact CD2-CB 4.33Å; L406-L410 HydrophobicContact CD2-CD2 4.37Å; L406-L410 VanDerWaalsContact O-CB 3.26Å; L406-L410 WeakPolarHBondContact O-CB 3.43Å; L406-L410 PolarHBondContact O-N 3.14Å; L410-S412 PolarHBondContact O-N 3.03Å; L410-I413 VanDerWaalsContact O-CG1 3.31Å; L410-I413 WeakPolarHBondContact O-CG1 3.33Å; L410-I413 PolarHBondContact O-N 3.32Å; L410-I413 VanDerWaalsContact O-N 3.16Å; L410-M414 HydrophobicContact CD1-CG 4.36Å; L410-M414 HydrophobicContact CD1-SD 3.81Å; L410-M414 HydrophobicContact CG-CG 4.42Å; L410-M414 HydrophobicContact CG-SD 4.47Å; L410-M414 VanDerWaalsContact O-CG 3.31Å; L410-M414 WeakPolarHBondContact O-CG 3.35Å; L410-M414 PolarHBondContact O-N 3.11Å
411K96.4Very high95.2Very high134 Ų13458 Ų5858%0.58329%0.287SS*.Hα-helixtrans-57.3-37.9176.2-72.9173.1-179.2171.10112.5L382 V407 Q408 K409 I413L382-K411 HydrophobicContact CD2-CG 4.48Å; V407-K411 HydrophobicContact CG1-CD 4.09Å; V407-K411 WeakPolarHBondContact O-CB 3.33Å; V407-K411 WeakPolarHBondContact O-CG 3.22Å; V407-K411 PolarHBondContact O-N 2.95Å; Q408-K411 PolarHBondContact O-N 3.28Å; K409-K411 PolarHBondContact O-N 3.21Å; K411-I413 VanDerWaalsContact C-N 3.3Å; K411-I413 PolarHBondContact O-N 2.91Å
412S96.5Very high95.3Very high59 Ų5956.2 Ų56.241%0.41328%0.28SS..Hα-helixtrans-71.5-19.4-178.577.20000114.7Q408 K409 L410 H416Q408-S412 WeakPolarHBondContact O-CB 3.4Å; Q408-S412 PolarHBondContact O-N 3.38Å; K409-S412 PolarHBondContact O-N 3.41Å; K409-S412 VanDerWaalsContact O-N 3.1Å; K409-S412 PolarHBondContact O-OG 2.96Å; L410-S412 PolarHBondContact O-N 3.03Å; S412-H416 PolarHBondContact O-CD2 3.3Å
413I96Very high95.5Very high0 Ų055 Ų550%028%0.275CS..Hα-helixtrans-108.5-18.9-174.564.3179.6000113.7L362 L390 K409 L410 K411 D415 H416 E418 R419 Y422L362-I413 HydrophobicContact CD1-CD1 4.13Å; L390-I413 HydrophobicContact CD2-CD1 4.27Å; K409-I413 HydrophobicContact CD-CG2 4.16Å; K409-I413 WeakPolarHBondContact O-CG1 3.44Å; K409-I413 PolarHBondContact O-N 2.72Å; L410-I413 VanDerWaalsContact O-CG1 3.31Å; L410-I413 WeakPolarHBondContact O-CG1 3.33Å; L410-I413 PolarHBondContact O-N 3.32Å; L410-I413 VanDerWaalsContact O-N 3.16Å; K411-I413 VanDerWaalsContact C-N 3.3Å; K411-I413 PolarHBondContact O-N 2.91Å; I413-D415 VanDerWaalsContact C-N 3.26Å; I413-D415 PolarHBondContact O-N 3.19Å; I413-H416 PolarHBondContact O-N 3.19Å; I413-H416 VanDerWaalsContact O-O 3.08Å; I413-E418 HydrophobicContact CB-CB 4.49Å; I413-E418 HydrophobicContact CG2-CB 4.34Å; I413-E418 HydrophobicContact CG2-CG 4.42Å; I413-R419 HydrophobicContact CB-CB 4.48Å; I413-R419 HydrophobicContact CG1-CB 4.3Å; I413-Y422 HydrophobicContact CD1-CD1 4.37Å; I413-Y422 HydrophobicContact CD1-CD2 3.4Å; I413-Y422 HydrophobicContact CD1-CE2 3.81Å; I413-Y422 HydrophobicContact CD1-CG 3.73Å; I413-Y422 HydrophobicContact CG2-CE2 4.13Å
414M94.3Very high95.7Very high37 Ų3754.5 Ų54.518%0.18227%0.269CS..THydrogen-bonded Turntrans-60.8-30.7-170.8-77.6-44.9-56.400114.3L362 I378 L410 H416 R419L362-M414 HydrophobicContact CB-SD 4.39Å; L362-M414 HydrophobicContact CD1-SD 4.4Å; I378-M414 HydrophobicContact CD1-CE 3.41Å; I378-M414 VanDerWaalsContact CD1-CE 3.41Å; I378-M414 HydrophobicContact CD1-SD 3.83Å; L410-M414 HydrophobicContact CD1-CG 4.36Å; L410-M414 HydrophobicContact CD1-SD 3.81Å; L410-M414 HydrophobicContact CG-CG 4.42Å; L410-M414 HydrophobicContact CG-SD 4.47Å; L410-M414 VanDerWaalsContact O-CG 3.31Å; L410-M414 WeakPolarHBondContact O-CG 3.35Å; L410-M414 PolarHBondContact O-N 3.11Å; M414-H416 VanDerWaalsContact C-N 3.32Å; M414-R419 WeakPolarHBondContact O-CD 2.97Å; M414-R419 PolarHBondContact O-NH1 2.71Å
415D93.4Very high95.8Very high145 Ų14549.1 Ų49.178%0.77524%0.244SC*.THydrogen-bonded Turntrans-89.52.9178.1-64.2-37.5000113.4I413I413-D415 VanDerWaalsContact C-N 3.26Å; I413-D415 PolarHBondContact O-N 3.19Å
416H94Very high95.8Very high113 Ų11347 Ų4752%0.52323%0.234SC..SBendtrans-120.1155.1-175.6-59.3-71000111.7S412 I413 M414 E418 R419S412-H416 PolarHBondContact O-CD2 3.3Å; I413-H416 PolarHBondContact O-N 3.19Å; I413-H416 VanDerWaalsContact O-O 3.08Å; M414-H416 VanDerWaalsContact C-N 3.32Å; H416-E418 HydrophobicContact CB-CB 4.26Å; H416-E418 PolarHBondContact O-N 3.45Å; H416-R419 WeakPolarHBondContact O-CG 3.25Å; H416-R419 PolarHBondContact O-N 3.22Å
417S92.4Very high95.7Very high74 Ų7450.4 Ų50.452%0.51725%0.247SC..G310 helixtrans-60.7-16.7171.960.40000112.9R419 K420S417-R419 PolarHBondContact O-N 2.93Å; S417-K420 WeakPolarHBondContact O-CB 3.42Å; S417-K420 PolarHBondContact O-N 2.99Å
418E93.4Very high95.7Very high66 Ų6650.6 Ų50.631%0.30825%0.248SC..G310 helixtrans-58.1-27.7175.7-154.4-161.414100112.5K409 I413 H416 K420 L421 Y422K409-E418 IonicContact NZ-OE1 3.3Å; K409-E418 PolarHBondContact NZ-OE1 3.27Å; K409-E418 IonicContact NZ-OE2 2.72Å; I413-E418 HydrophobicContact CB-CB 4.49Å; I413-E418 HydrophobicContact CG2-CB 4.34Å; I413-E418 HydrophobicContact CG2-CG 4.42Å; H416-E418 HydrophobicContact CB-CB 4.26Å; H416-E418 PolarHBondContact O-N 3.45Å; E418-K420 PolarHBondContact O-N 3.13Å; E418-L421 HydrophobicContact CG-CD1 3.92Å; E418-L421 VanDerWaalsContact O-CB 3.26Å; E418-L421 WeakPolarHBondContact O-CB 3.1Å; E418-L421 PolarHBondContact O-N 2.74Å; E418-Y422 HydrophobicContact CG-CE2 4Å; E418-Y422 VanDerWaalsContact O-CD2 3.29Å; E418-Y422 WeakPolarHBondContact O-CD2 3.48Å; E418-Y422 WeakPolarHBondContact O-CE2 3.34Å; E418-Y422 WeakPolarHBondContact OE1-CE2 3.21Å; E418-Y422 PolarHBondContact OE1-OH 3.47Å
419R95Very high95.5Very high72 Ų7248.1 Ų48.127%0.27224%0.236SC..G310 helixtrans-56.5-25.5177.472.4-165.5179.4-160.21.3113.8L362 D363 I413 M414 H416 S417 L421 Y422L362-R419 HydrophobicContact CB-CB 4.11Å; L362-R419 WeakPolarHBondContact O-CD 3.32Å; D363-R419 HydrophobicContact CB-CG 4.13Å; D363-R419 IonicContact OD2-CZ 3.97Å; D363-R419 VanDerWaalsContact OD2-CZ 3.23Å; D363-R419 IonicContact OD2-NE 3.33Å; D363-R419 PolarHBondContact OD2-NE 3.42Å; D363-R419 IonicContact OD2-NH2 3.04Å; D363-R419 PolarHBondContact OD2-NH2 3.43Å; I413-R419 HydrophobicContact CB-CB 4.48Å; I413-R419 HydrophobicContact CG1-CB 4.3Å; M414-R419 WeakPolarHBondContact O-CD 2.97Å; M414-R419 PolarHBondContact O-NH1 2.71Å; H416-R419 WeakPolarHBondContact O-CG 3.25Å; H416-R419 PolarHBondContact O-N 3.22Å; S417-R419 PolarHBondContact O-N 2.93Å; R419-L421 PolarHBondContact O-N 3.49Å; R419-Y422 PolarHBondContact O-N 2.76Å
420K95.2Very high95.4Very high17 Ų1747.9 Ų47.97%0.07424%0.238CC..G310 helixtrans-64.8-19.1173.9-64.9176.3178.5178.30113.3V73 D363 E365 M366 S417 E418 Y422V73-K420 HydrophobicContact CG1-CD 4.39Å; V73-K420 HydrophobicContact CG2-CB 3.97Å; D363-K420 HydrophobicContact CB-CG 3.78Å; D363-K420 WeakPolarHBondContact OD2-CE 3.17Å; E365-K420 IonicContact OE1-NZ 2.78Å; E365-K420 WeakPolarHBondContact OE2-CE 3.38Å; E365-K420 IonicContact OE2-NZ 3.66Å; E365-K420 PolarHBondContact OE2-NZ 3.08Å; M366-K420 HydrophobicContact SD-CB 3.95Å; M366-K420 HydrophobicContact SD-CD 4.49Å; M366-K420 HydrophobicContact SD-CG 3.97Å; S417-K420 WeakPolarHBondContact O-CB 3.42Å; S417-K420 PolarHBondContact O-N 2.99Å; E418-K420 PolarHBondContact O-N 3.13Å; K420-Y422 VanDerWaalsContact C-N 3.26Å; K420-Y422 PolarHBondContact O-N 2.56Å
421L94.8Very high95.3Very high27 Ų2748.1 Ų48.114%0.14124%0.239CC..G310 helixtrans-83.62.9177-58.9-180000113.1V70 V73 D74 P392 Q393 E418 R419V70-L421 HydrophobicContact CG2-CD2 3.93Å; V73-L421 HydrophobicContact CB-CD2 4.32Å; V73-L421 HydrophobicContact CG2-CD2 3.6Å; V73-L421 HydrophobicContact CG2-CG 4.1Å; D74-L421 HydrophobicContact CB-CD2 3.72Å; P392-L421 CarbonylContact C-O 3.49Å; P392-L421 VanDerWaalsContact CA-O 3.25Å; P392-L421 WeakPolarHBondContact CA-O 3.42Å; Q393-L421 WeakPolarHBondContact CG-O 3.44Å; Q393-L421 PolarHBondContact N-O 3.24Å; E418-L421 HydrophobicContact CG-CD1 3.92Å; E418-L421 VanDerWaalsContact O-CB 3.26Å; E418-L421 WeakPolarHBondContact O-CB 3.1Å; E418-L421 PolarHBondContact O-N 2.74Å; R419-L421 PolarHBondContact O-N 3.49Å
422Y96.5Very high95.3Very high15 Ų1545.6 Ų45.66%0.05923%0.231CC..EExtended strand (participates in β ladder)trans-128.5148.7-174.5-61.1-94.7000112.8L390 K391 P392 Y401 K409 I413 E418 R419 K420L390-Y422 HydrophobicContact CD1-CD1 4.22Å; L390-Y422 HydrophobicContact CD1-CG 4.27Å; L390-Y422 HydrophobicContact CD2-CD1 4.04Å; L390-Y422 HydrophobicContact CG-CD1 3.84Å; L390-Y422 HydrophobicContact CG-CG 4.38Å; K391-Y422 WeakPolarHBondContact O-CA 3.25Å; P392-Y422 HydrophobicContact CB-CD1 3.95Å; P392-Y422 HydrophobicContact CB-CE1 3.68Å; P392-Y422 HydrophobicContact CG-CE1 4.49Å; Y401-Y422 HydrophobicContact CD2-CE1 4.42Å; Y401-Y422 AromaticContact CE2-CE1 3.87Å; Y401-Y422 HydrophobicContact CE2-CE1 3.87Å; K409-Y422 WeakPolarHBondContact CE-OH 3.48Å; K409-Y422 HydrophobicContact CG-CE1 4.49Å; K409-Y422 PolarHBondContact NZ-OH 2.87Å; I413-Y422 HydrophobicContact CD1-CD1 4.37Å; I413-Y422 HydrophobicContact CD1-CD2 3.4Å; I413-Y422 HydrophobicContact CD1-CE2 3.81Å; I413-Y422 HydrophobicContact CD1-CG 3.73Å; I413-Y422 HydrophobicContact CG2-CE2 4.13Å; E418-Y422 HydrophobicContact CG-CE2 4Å; E418-Y422 VanDerWaalsContact O-CD2 3.29Å; E418-Y422 WeakPolarHBondContact O-CD2 3.48Å; E418-Y422 WeakPolarHBondContact O-CE2 3.34Å; E418-Y422 WeakPolarHBondContact OE1-CE2 3.21Å; E418-Y422 PolarHBondContact OE1-OH 3.47Å; R419-Y422 PolarHBondContact O-N 2.76Å; K420-Y422 VanDerWaalsContact C-N 3.26Å; K420-Y422 PolarHBondContact O-N 2.56Å
423V97Very high95.3Very high1 Ų142.8 Ų42.81%0.00621%0.211CC..EExtended strand (participates in β ladder)trans-121.1128.5169.3174.90000107.5I327 A330 Q359 Y360 K391I327-V423 HydrophobicContact CD1-CG2 4.49Å; A330-V423 HydrophobicContact CB-CG1 3.93Å; A330-V423 HydrophobicContact CB-CG2 3.95Å; Q359-V423 HydrophobicContact CB-CG1 3.94Å; Q359-V423 HydrophobicContact CG-CG1 4.27Å; Y360-V423 WeakPolarHBondContact O-CA 3.36Å; K391-V423 PolarHBondContact N-O 2.76Å; K391-V423 PolarHBondContact O-N 3.42Å
424L97.6Very high95.4Very high0 Ų046.5 Ų46.50%023%0.229CC..EExtended strand (participates in β ladder)trans-91.7121.9170.3-17467.7000108.1Q359 Y360 L362 A377 C381 Y388 L390 L406Q359-L424 WeakPolarHBondContact CA-O 3.3Å; Y360-L424 PolarHBondContact N-O 3.22Å; Y360-L424 PolarHBondContact O-N 3.36Å; L362-L424 HydrophobicContact CD2-CB 3.95Å; L362-L424 HydrophobicContact CD2-CD2 4.4Å; A377-L424 HydrophobicContact CB-CD2 4.06Å; C381-L424 HydrophobicContact CB-CD2 3.93Å; Y388-L424 HydrophobicContact CD1-CD1 4.16Å; Y388-L424 HydrophobicContact CD1-CD2 4.09Å; Y388-L424 HydrophobicContact CD1-CG 3.81Å; Y388-L424 HydrophobicContact CE1-CD2 4.45Å; Y388-L424 HydrophobicContact CG-CD1 4.23Å; Y388-L424 HydrophobicContact CG-CG 4.35Å; L390-L424 HydrophobicContact CB-CD1 4.33Å; L390-L424 HydrophobicContact CD1-CB 4.4Å; L390-L424 HydrophobicContact CD1-CD1 4.27Å; L406-L424 HydrophobicContact CD1-CD1 4.34Å; L406-L424 HydrophobicContact CD2-CD1 4.26Å
425M97.4Very high95.6Very high4 Ų445.2 Ų45.22%0.0222%0.222CC..EExtended strand (participates in β ladder)trans-121.2140.9-176.4177.7-17717500109.5Q150 A357 H358 Q359 Y388 V389 K391 R427 I428Q150-M425 WeakPolarHBondContact O-CE 3.35Å; A357-M425 HydrophobicContact CB-CE 3.52Å; A357-M425 HydrophobicContact CB-CG 4.32Å; H358-M425 WeakPolarHBondContact O-CA 3.48Å; Q359-M425 HydrophobicContact CG-CB 3.99Å; Q359-M425 HydrophobicContact CG-CG 3.74Å; Q359-M425 HydrophobicContact CG-SD 4.31Å; Y388-M425 CarbonylContact C-O 3.52Å; Y388-M425 WeakPolarHBondContact CA-O 3.27Å; V389-M425 HydrophobicContact CG1-CB 3.93Å; V389-M425 HydrophobicContact CG1-CG 4.37Å; V389-M425 PolarHBondContact N-O 2.88Å; V389-M425 PolarHBondContact O-N 3.3Å; K391-M425 HydrophobicContact CD-SD 4.3Å; K391-M425 PolarHBondContact NZ-SD 3.43Å; M425-R427 PolarHBondContact O-N 3.32Å; M425-I428 HydrophobicContact CE-CD1 4.18Å; M425-I428 HydrophobicContact CE-CG1 4.46Å
426E96Very high95.6Very high63 Ų6338.8 Ų38.829%0.29419%0.189SC..EExtended strand (participates in β ladder)trans-59.2131.8169.1-77.6-177.7174.900110.7H358 Y388 I428H358-E426 HydrophobicContact CB-CG 3.99Å; H358-E426 IonicContact CD2-OE1 3.88Å; H358-E426 IonicContact CD2-OE2 3.92Å; H358-E426 PolarHBondContact CD2-OE2 2.9Å; H358-E426 VanDerWaalsContact CD2-OE2 3.28Å; H358-E426 IonicContact CG-OE1 2.65Å; H358-E426 IonicContact CG-OE2 2.91Å; H358-E426 PolarHBondContact O-N 2.94Å; Y388-E426 HydrophobicContact CE1-CG 4.15Å; E426-I428 PolarHBondContact O-N 3.4Å
427R95.2Very high95.5Very high72 Ų7234.4 Ų34.427%0.27217%0.169SC..PPolyproline II helixtrans-71.4125179.2-168.8-177.8-176.2168.41109.2D386 N387 M425 Q429D386-R427 WeakPolarHBondContact O-CD 3.44Å; D386-R427 IonicContact OD1-NH1 3.38Å; N387-R427 WeakPolarHBondContact O-CB 3.22Å; N387-R427 PolarHBondContact O-N 3.07Å; M425-R427 PolarHBondContact O-N 3.32Å; R427-Q429 PolarHBondContact O-N 3.21Å
428I95.8Very high95.5Very high13 Ų1330.9 Ų30.97%0.06715%0.145CC..PPolyproline II helixtrans-67.2130.6171.4-59166.1000108.4M106 H108 R149 V151 M425 E426 P430M106-I428 HydrophobicContact CB-CB 4.25Å; M106-I428 HydrophobicContact CB-CD1 4.2Å; M106-I428 HydrophobicContact CB-CG2 3.54Å; M106-I428 HydrophobicContact SD-CB 4.44Å; H108-I428 HydrophobicContact CB-CG2 3.76Å; R149-I428 HydrophobicContact CB-CD1 3.64Å; R149-I428 HydrophobicContact CB-CG1 3.74Å; R149-I428 HydrophobicContact CB-CG2 4.13Å; V151-I428 HydrophobicContact CG2-CD1 3.94Å; M425-I428 HydrophobicContact CE-CD1 4.18Å; M425-I428 HydrophobicContact CE-CG1 4.46Å; E426-I428 PolarHBondContact O-N 3.4Å; I428-P430 WeakPolarHBondContact O-CD 3.43Å
429Q94.7Very high95.3Very high60 Ų6030.1 Ų30.128%0.2814%0.142SC..  trans-93.994.8178.5-59.6-59.3-25.500110.1H108 V109 R427H108-Q429 CarbonylContact C-O 3.53Å; H108-Q429 WeakPolarHBondContact CA-O 3.31Å; H108-Q429 PolarHBondContact ND1-N 2.79Å; V109-Q429 PolarHBondContact N-O 2.89Å; R427-Q429 PolarHBondContact O-N 3.21Å
430P95Very high94.7Very high31 Ų3130.7 Ų30.720%0.20116%0.157CC..BIsolated β-bridgetrans-73.4156.4-175.933-38.1000112.1L107 I428 V453L107-P430 WeakPolarHBondContact O-CA 3.32Å; I428-P430 WeakPolarHBondContact O-CD 3.43Å; P430-V453 HydrophobicContact CB-CB 3.96Å; P430-V453 HydrophobicContact CB-CG1 3.96Å; P430-V453 HydrophobicContact CG-CB 3.89Å; P430-V453 HydrophobicContact CG-CG1 3.51Å
431Y94.6Very high93.8Very high8 Ų832.4 Ų32.43%0.03117%0.169CC..  trans-68.8153159.477.5-79.2000110.2P33 L107 L125 F433 T454P33-Y431 PolarHBondContact O-OH 3.03Å; L107-Y431 HydrophobicContact CB-CD1 3.87Å; L107-Y431 HydrophobicContact CB-CE1 4.02Å; L107-Y431 HydrophobicContact CD1-CD1 4.21Å; L107-Y431 HydrophobicContact CD1-CE1 3.77Å; L107-Y431 HydrophobicContact CG-CD1 4.46Å; L107-Y431 HydrophobicContact CG-CE1 4.13Å; L107-Y431 PolarHBondContact O-N 2.97Å; L125-Y431 HydrophobicContact CB-CD2 3.67Å; L125-Y431 HydrophobicContact CB-CE2 3.89Å; L125-Y431 HydrophobicContact CD1-CD1 4.17Å; L125-Y431 HydrophobicContact CD1-CD2 3.7Å; L125-Y431 HydrophobicContact CD1-CE2 4.06Å; L125-Y431 HydrophobicContact CD1-CG 3.76Å; L125-Y431 HydrophobicContact CG-CD2 4.3Å; L125-Y431 HydrophobicContact CG-CE2 4.47Å; Y431-F433 HydrophobicContact CD2-CB 4.35Å; Y431-F433 HydrophobicContact CE2-CB 3.95Å; Y431-F433 AromaticContact CE2-CD1 3.9Å; Y431-F433 HydrophobicContact CE2-CD1 3.9Å; Y431-F433 HydrophobicContact CE2-CG 4.22Å; Y431-T454 WeakPolarHBondContact CE1-OG1 3.29Å; Y431-T454 WeakPolarHBondContact OH-CG2 3.49Å; Y431-T454 PolarHBondContact OH-OG1 2.99Å; Y431-T454 VanDerWaalsContact OH-OG1 3.1Å
432I96.1Very high92.7Very high80 Ų8031.4 Ų31.441%0.4117%0.165SC..  trans-111.1130.2-179.5-58.3168.6000108.4K451 M452 V453 L484I432-K451 HydrophobicContact CG2-CB 3.89Å; I432-K451 HydrophobicContact CG2-CD 4.32Å; I432-K451 HydrophobicContact CG2-CG 4.2Å; I432-M452 WeakPolarHBondContact CA-O 3.4Å; I432-V453 HydrophobicContact CG1-CG1 4.39Å; I432-L484 HydrophobicContact CD1-CD1 4.06Å; I432-L484 HydrophobicContact CD1-CD2 3.93Å; I432-L484 HydrophobicContact CG1-CD1 4.17Å
433F97.7Very high91.3Very high1 Ų133.8 Ų33.80%0.00419%0.187CC..EExtended strand (participates in β ladder)trans-127.4173.2175.873.4-76.8000111.1S32 L125 Q126 Y431 N435 K451 M452 T454S32-F433 WeakPolarHBondContact OG-CE2 3.5Å; S32-F433 WeakPolarHBondContact OG-CZ 3.37Å; L125-F433 WeakPolarHBondContact O-CB 3.26Å; Q126-F433 CarbonylContact O-C 3.54Å; Q126-F433 WeakPolarHBondContact O-CA 3.28Å; Y431-F433 HydrophobicContact CD2-CB 4.35Å; Y431-F433 HydrophobicContact CE2-CB 3.95Å; Y431-F433 AromaticContact CE2-CD1 3.9Å; Y431-F433 HydrophobicContact CE2-CD1 3.9Å; Y431-F433 HydrophobicContact CE2-CG 4.22Å; F433-N435 HydrophobicContact CD2-CB 4.08Å; F433-N435 HydrophobicContact CE2-CB 3.6Å; F433-K451 CarbonylContact O-C 3.58Å; F433-K451 WeakPolarHBondContact O-CA 3.1Å; F433-M452 HydrophobicContact CD1-CB 4.15Å; F433-M452 WeakPolarHBondContact CD1-O 3.34Å; F433-M452 VanDerWaalsContact CE1-C 3.45Å; F433-M452 HydrophobicContact CE1-CB 3.54Å; F433-M452 WeakPolarHBondContact CE1-O 3.47Å; F433-M452 HydrophobicContact CE2-CB 4Å; F433-M452 HydrophobicContact CZ-CB 3.48Å; F433-M452 VanDerWaalsContact CZ-CB 3.48Å; F433-M452 PolarHBondContact N-O 3.01Å; F433-M452 PolarHBondContact O-N 2.94Å; F433-T454 HydrophobicContact CD1-CG2 4.06Å; F433-T454 HydrophobicContact CE1-CG2 3.36Å; F433-T454 HydrophobicContact CZ-CG2 3.81Å
434Q97.9Very high89.8Confident78 Ų7838.5 Ų38.536%0.36422%0.221SC..EExtended strand (participates in β ladder)trans-116.6130.5180-69.3-177.3-36.800111.4Q126 V449 K450Q126-Q434 PolarHBondContact O-N 3.3Å; Q434-V449 HydrophobicContact CB-CG1 3.78Å; Q434-V449 HydrophobicContact CG-CG1 4.31Å; Q434-K450 WeakPolarHBondContact CA-O 3.24Å
435N96.9Very high88.6Confident9 Ų944.4 Ų44.45%0.04825%0.248CC..EExtended strand (participates in β ladder)trans-157175.2176-154-23.5000110.4L30 S32 F433 K450 M452L30-N435 PolarHBondContact N-OD1 2.98Å; L30-N435 PolarHBondContact O-ND2 2.82Å; S32-N435 PolarHBondContact OG-ND2 3.5Å; F433-N435 HydrophobicContact CD2-CB 4.08Å; F433-N435 HydrophobicContact CE2-CB 3.6Å; N435-K450 PolarHBondContact N-O 3.2Å; N435-K450 VanDerWaalsContact N-O 3.16Å; N435-K450 PolarHBondContact O-N 3.08Å; N435-M452 HydrophobicContact CB-SD 3.95Å
436S94.5Very high87.5Confident10 Ų1052.7 Ų52.77%0.0729%0.287CS..  trans-116.1151.6173.7-57.60000109.9T28 L29T28-S436 CarbonylContact C-O 3.52Å; T28-S436 WeakPolarHBondContact CA-O 3.23Å; L29-S436 PolarHBondContact N-O 3.45Å
437I92.8Very high86.7Confident22 Ų2251.1 Ų51.111%0.11328%0.28CS..EExtended strand (participates in β ladder)trans-107.6120.7-179.6-57.5175.8000109.1P26 C27 S442 L447 K450 M452 P483 C497P26-I437 HydrophobicContact CB-CG2 4.07Å; C27-I437 CarbonylContact O-C 3.39Å; C27-I437 WeakPolarHBondContact O-CA 3.5Å; I437-S442 PolarHBondContact O-OG 3.32Å; I437-L447 WeakPolarHBondContact O-CD2 3.35Å; I437-K450 HydrophobicContact CD1-CD 4.17Å; I437-M452 HydrophobicContact CD1-CE 3.7Å; I437-M452 HydrophobicContact CD1-SD 4.41Å; I437-M452 HydrophobicContact CG1-CE 3.77Å; I437-M452 HydrophobicContact CG1-SD 4.08Å; I437-P483 HydrophobicContact CD1-CG 4Å; I437-C497 HydrophobicContact CG2-CB 3.96Å
438L91.8Very high86.4Confident0 Ų055.2 Ų55.20%030%0.3CS..EExtended strand (participates in β ladder)trans-80.3132.6168.4-63-180000110.4A5 P26 C27 L29 L447A5-L438 HydrophobicContact CB-CD1 3.92Å; P26-L438 VanDerWaalsContact CA-O 3.24Å; P26-L438 WeakPolarHBondContact CA-O 3.14Å; C27-L438 PolarHBondContact N-O 2.9Å; C27-L438 PolarHBondContact O-N 2.71Å; L29-L438 HydrophobicContact CB-CD2 4.49Å; L29-L438 HydrophobicContact CB-CG 4.18Å; L29-L438 HydrophobicContact CD1-CD1 3.94Å; L29-L438 HydrophobicContact CD1-CD2 4.03Å; L29-L438 HydrophobicContact CD1-CG 4.18Å; L438-L447 HydrophobicContact CD2-CD1 3.86Å; L438-L447 HydrophobicContact CD2-CD2 4.39Å
439N88.3Confident86.3Confident49 Ų4959.1 Ų59.126%0.26232%0.324SS..  trans-151.3-173.4179.265.525000110.3T441 S442N439-T441 VanDerWaalsContact C-N 3.27Å; N439-T441 PolarHBondContact O-N 2.68Å; N439-T441 PolarHBondContact OD1-N 3.31Å; N439-T441 PolarHBondContact OD1-OG1 2.99Å; N439-S442 PolarHBondContact N-OG 3.14Å; N439-S442 WeakPolarHBondContact O-CB 3.33Å; N439-S442 PolarHBondContact O-N 2.84Å; N439-S442 PolarHBondContact O-OG 3.36Å; N439-S442 PolarHBondContact OD1-N 3.47Å; N439-S442 PolarHBondContact OD1-OG 2.7Å
440S82.3Confident86.3Confident84 Ų8460.6 Ų60.659%0.58733%0.33SS*.THydrogen-bonded Turntrans-66.6-25.8-175.748.80000113.8
441T77.3Confident86.3Confident53 Ų5364.6 Ų64.633%0.32534%0.344SS..THydrogen-bonded Turntrans-91.5-8.4179.367.30000113N439 A443 S444 E445N439-T441 VanDerWaalsContact C-N 3.27Å; N439-T441 PolarHBondContact O-N 2.68Å; N439-T441 PolarHBondContact OD1-N 3.31Å; N439-T441 PolarHBondContact OD1-OG1 2.99Å; T441-A443 PolarHBondContact O-N 2.95Å; T441-A443 VanDerWaalsContact O-N 3.1Å; T441-S444 PolarHBondContact O-N 2.86Å; T441-S444 PolarHBondContact O-OG 2.97Å; T441-E445 WeakPolarHBondContact CB-OE2 3.34Å; T441-E445 PolarHBondContact O-N 3.06Å; T441-E445 VanDerWaalsContact O-N 3.1Å; T441-E445 PolarHBondContact OG1-OE2 3.5Å
442S72.4Confident86.4Confident7 Ų764.2 Ų64.25%0.04934%0.342CS..THydrogen-bonded Turntrans-65.7-15.6-175.8-63.10000114.4I437 N439 S444I437-S442 PolarHBondContact O-OG 3.32Å; N439-S442 PolarHBondContact N-OG 3.14Å; N439-S442 WeakPolarHBondContact O-CB 3.33Å; N439-S442 PolarHBondContact O-N 2.84Å; N439-S442 PolarHBondContact O-OG 3.36Å; N439-S442 PolarHBondContact OD1-N 3.47Å; N439-S442 PolarHBondContact OD1-OG 2.7Å; S442-S444 VanDerWaalsContact C-N 3.33Å
443A65.7Low86.4Confident64 Ų6460.7 Ų60.753%0.52933%0.325SS..THydrogen-bonded Turntrans-76.7-21.2173.400000113T441T441-A443 PolarHBondContact O-N 2.95Å; T441-A443 VanDerWaalsContact O-N 3.1Å
444S65.8Low86.3Confident101 Ų10160.7 Ų60.771%0.70633%0.325SS*.THydrogen-bonded Turntrans-114.1-15.6-175.250.40000114.4T441 S442T441-S444 PolarHBondContact O-N 2.86Å; T441-S444 PolarHBondContact O-OG 2.97Å; S442-S444 VanDerWaalsContact C-N 3.33Å
445E72.7Confident86.3Confident123 Ų12357.8 Ų57.858%0.57531%0.311SS*.SBendtrans-114.7149.7-175.9-65179.4156.900112.2T441 L447T441-E445 WeakPolarHBondContact CB-OE2 3.34Å; T441-E445 PolarHBondContact O-N 3.06Å; T441-E445 VanDerWaalsContact O-N 3.1Å; T441-E445 PolarHBondContact OG1-OE2 3.5Å; E445-L447 PolarHBondContact O-N 3.42Å
446E73.5Confident86.3Confident178 Ų17857.4 Ų57.483%0.83231%0.309SS*.PPolyproline II helixtrans-67.2121.2171.4-171.7177.6-166.600110K448E446-K448 PolarHBondContact O-N 3.26Å
447L80.6Confident86.5Confident30 Ų3057 Ų5716%0.15731%0.306CS..PPolyproline II helixtrans-71.7117.6179.7-87.6149.5000111H2 I437 L438 E445H2-L447 HydrophobicContact CB-CD1 3.23Å; H2-L447 WeakPolarHBondContact ND1-CD1 3.45Å; I437-L447 WeakPolarHBondContact O-CD2 3.35Å; L438-L447 HydrophobicContact CD2-CD1 3.86Å; L438-L447 HydrophobicContact CD2-CD2 4.39Å; E445-L447 PolarHBondContact O-N 3.42Å
448K88.1Confident86.8Confident159 Ų15955.9 Ų55.969%0.69130%0.301SS*.PPolyproline II helixtrans-88130.6175.3-62.7-177.5-177.8178.50110.2E446 K450E446-K448 PolarHBondContact O-N 3.26Å; K448-K450 PolarHBondContact O-N 3.17Å
449V93.1Very high87.1Confident95 Ų9555.9 Ų55.958%0.57630%0.301SS*.PPolyproline II helixtrans-65.1129.7165.9179.60000108.6Q434Q434-V449 HydrophobicContact CB-CG1 3.78Å; Q434-V449 HydrophobicContact CG-CG1 4.31Å
450K94.3Very high87.6Confident91 Ų9153.6 Ų53.640%0.39629%0.288SS..EExtended strand (participates in β ladder)trans-116.3151.3180-60.2-169.6177.1-1610110.3Q434 N435 I437 K448 M452 P483Q434-K450 WeakPolarHBondContact CA-O 3.24Å; N435-K450 PolarHBondContact N-O 3.2Å; N435-K450 VanDerWaalsContact N-O 3.16Å; N435-K450 PolarHBondContact O-N 3.08Å; I437-K450 HydrophobicContact CD1-CD 4.17Å; K448-K450 PolarHBondContact O-N 3.17Å; K450-M452 HydrophobicContact CB-CG 4.05Å; K450-M452 HydrophobicContact CB-SD 4.48Å; K450-P483 HydrophobicContact CD-CG 4.26Å
451K96.4Very high88.4Confident114 Ų11449.6 Ų49.650%0.49626%0.26SS..EExtended strand (participates in β ladder)trans-78132.6162.7-71.1-177.8179.9-179.80108.4I432 F433 P483 L484I432-K451 HydrophobicContact CG2-CB 3.89Å; I432-K451 HydrophobicContact CG2-CD 4.32Å; I432-K451 HydrophobicContact CG2-CG 4.2Å; F433-K451 CarbonylContact O-C 3.58Å; F433-K451 WeakPolarHBondContact O-CA 3.1Å; K451-P483 WeakPolarHBondContact O-CA 3.48Å; K451-L484 HydrophobicContact CB-CB 4.16Å; K451-L484 HydrophobicContact CB-CD2 4.3Å; K451-L484 HydrophobicContact CD-CD2 4.39Å; K451-L484 PolarHBondContact O-N 3.43Å
452M96.5Very high89.4Confident0 Ų047 Ų470%025%0.245CC..EExtended strand (participates in β ladder)trans-139.8162.1-170.4-60.2-170.674.600111.2T28 I432 F433 N435 I437 K450 K482T28-M452 HydrophobicContact CG2-CE 4.41Å; I432-M452 WeakPolarHBondContact CA-O 3.4Å; F433-M452 HydrophobicContact CD1-CB 4.15Å; F433-M452 WeakPolarHBondContact CD1-O 3.34Å; F433-M452 VanDerWaalsContact CE1-C 3.45Å; F433-M452 HydrophobicContact CE1-CB 3.54Å; F433-M452 WeakPolarHBondContact CE1-O 3.47Å; F433-M452 HydrophobicContact CE2-CB 4Å; F433-M452 HydrophobicContact CZ-CB 3.48Å; F433-M452 VanDerWaalsContact CZ-CB 3.48Å; F433-M452 PolarHBondContact N-O 3.01Å; F433-M452 PolarHBondContact O-N 2.94Å; N435-M452 HydrophobicContact CB-SD 3.95Å; I437-M452 HydrophobicContact CD1-CE 3.7Å; I437-M452 HydrophobicContact CD1-SD 4.41Å; I437-M452 HydrophobicContact CG1-CE 3.77Å; I437-M452 HydrophobicContact CG1-SD 4.08Å; K450-M452 HydrophobicContact CB-CG 4.05Å; K450-M452 HydrophobicContact CB-SD 4.48Å; M452-K482 CarbonylContact C-O 3.56Å; M452-K482 WeakPolarHBondContact CA-O 3.27Å; M452-K482 WeakPolarHBondContact CB-O 3.48Å
453V95.8Very high90.7Very high6 Ų646.9 Ų46.94%0.03624%0.243CC..EExtended strand (participates in β ladder)trans-131.2148174.6-59.50000109.4P430 I432 S481 K482 L484P430-V453 HydrophobicContact CB-CB 3.96Å; P430-V453 HydrophobicContact CB-CG1 3.96Å; P430-V453 HydrophobicContact CG-CB 3.89Å; P430-V453 HydrophobicContact CG-CG1 3.51Å; I432-V453 HydrophobicContact CG1-CG1 4.39Å; V453-S481 WeakPolarHBondContact O-CA 3.28Å; V453-K482 HydrophobicContact CG2-CD 4.19Å; V453-K482 HydrophobicContact CG2-CG 3.51Å; V453-K482 PolarHBondContact N-O 3.17Å; V453-K482 PolarHBondContact O-N 2.81Å; V453-L484 HydrophobicContact CG1-CD1 3.9Å
454T96.2Very high92.2Very high2 Ų243.8 Ų43.81%0.01222%0.218CC..EExtended strand (participates in β ladder)trans-104.4148.9-177.259.80000112.8Y431 F433 L479 R480Y431-T454 WeakPolarHBondContact CE1-OG1 3.29Å; Y431-T454 WeakPolarHBondContact OH-CG2 3.49Å; Y431-T454 PolarHBondContact OH-OG1 2.99Å; Y431-T454 VanDerWaalsContact OH-OG1 3.1Å; F433-T454 HydrophobicContact CD1-CG2 4.06Å; F433-T454 HydrophobicContact CE1-CG2 3.36Å; F433-T454 HydrophobicContact CZ-CG2 3.81Å; T454-L479 HydrophobicContact CG2-CD1 4.28Å; T454-L479 HydrophobicContact CG2-CD2 4.11Å; T454-L479 HydrophobicContact CG2-CG 4.31Å; T454-R480 CarbonylContact C-O 3.58Å; T454-R480 WeakPolarHBondContact CA-O 3.43Å
455E96.6Very high93.7Very high16 Ų1639.7 Ų39.78%0.07519%0.189CC..EExtended strand (participates in β ladder)trans-127115.7167.1-170.9177.5143.400109D104 Y105 M106 V151 R480D104-E455 HydrophobicContact CB-CG 4.34Å; Y105-E455 CarbonylContact O-C 3.54Å; Y105-E455 WeakPolarHBondContact O-CA 3.19Å; M106-E455 HydrophobicContact CE-CB 4.19Å; M106-E455 HydrophobicContact CE-CG 4.32Å; M106-E455 HydrophobicContact CG-CB 4.45Å; M106-E455 HydrophobicContact CG-CG 4.42Å; V151-E455 HydrophobicContact CG2-CG 4.24Å; E455-R480 HydrophobicContact CB-CB 4.47Å; E455-R480 PolarHBondContact N-O 2.99Å; E455-R480 PolarHBondContact O-N 3.49Å; E455-R480 IonicContact OE1-CZ 2.84Å; E455-R480 VanDerWaalsContact OE1-CZ 3.28Å; E455-R480 IonicContact OE1-NH1 3.78Å; E455-R480 PolarHBondContact OE1-NH1 3.39Å; E455-R480 IonicContact OE1-NH2 3.16Å; E455-R480 PolarHBondContact OE1-NH2 3.09Å
456L98.1Very high94.7Very high2 Ų240.5 Ų40.51%0.0119%0.191CC..EExtended strand (participates in β ladder)trans-90.7112.7-178.4173.865.8000109.9L34 L39 A42 D104 Y105 I458 L479L34-L456 HydrophobicContact CD1-CB 4.49Å; L34-L456 HydrophobicContact CD1-CD1 4.36Å; L34-L456 HydrophobicContact CD1-CD2 4.34Å; L39-L456 HydrophobicContact CD1-CD1 3.78Å; L39-L456 HydrophobicContact CD1-CD2 3.94Å; L39-L456 HydrophobicContact CD1-CG 4.48Å; A42-L456 HydrophobicContact CB-CD2 3.88Å; D104-L456 CarbonylContact C-O 3.57Å; D104-L456 WeakPolarHBondContact CA-O 3.33Å; Y105-L456 PolarHBondContact N-O 3.05Å; Y105-L456 PolarHBondContact O-N 3.23Å; L456-I458 HydrophobicContact CD1-CD1 3.93Å; L456-I458 HydrophobicContact CD2-CD1 4.09Å; L456-I458 HydrophobicContact CG-CD1 3.91Å; L456-I458 HydrophobicContact CG-CG1 4.33Å; L456-L479 HydrophobicContact CB-CD1 4.09Å; L456-L479 HydrophobicContact CD1-CD1 4.26Å
457G98.2Very high95.5Very high0 Ų039.1 Ų39.10%019%0.189CC..EExtended strand (participates in β ladder)trans-93.8129.3169.700000111.7S103 D104 H477 L478S103-G457 CarbonylContact O-C 3.56Å; S103-G457 WeakPolarHBondContact O-CA 3.36Å; D104-G457 WeakPolarHBondContact OD1-CA 3.39Å; G457-H477 CarbonylContact O-C 3.52Å; G457-H477 WeakPolarHBondContact O-CA 3.08Å; G457-L478 PolarHBondContact N-O 3.39Å; G457-L478 PolarHBondContact O-N 3.34Å
458I98.8Very high96.3Very high0 Ų043.1 Ų43.10%021%0.207CC..EExtended strand (participates in β ladder)trans-109.6118172.6-57.7-57.6000108.2L39 A42 Q43 Q46 R102 S103 Y105 L456 F474 H477L39-I458 HydrophobicContact CD1-CD1 4.03Å; A42-I458 HydrophobicContact CB-CD1 4.14Å; A42-I458 HydrophobicContact CB-CG1 3.79Å; Q43-I458 HydrophobicContact CG-CD1 4.06Å; Q46-I458 HydrophobicContact CB-CG2 3.63Å; Q46-I458 HydrophobicContact CG-CG2 3.77Å; Q46-I458 PolarHBondContact OE1-O 3.26Å; Q46-I458 VanDerWaalsContact OE1-O 3.12Å; R102-I458 CarbonylContact C-O 3.52Å; R102-I458 VanDerWaalsContact CA-O 3.25Å; R102-I458 WeakPolarHBondContact CA-O 3.47Å; S103-I458 PolarHBondContact N-O 2.88Å; S103-I458 PolarHBondContact O-N 3.34Å; Y105-I458 HydrophobicContact CD2-CG1 4.13Å; Y105-I458 HydrophobicContact CE2-CB 4.32Å; Y105-I458 HydrophobicContact CE2-CG1 3.93Å; L456-I458 HydrophobicContact CD1-CD1 3.93Å; L456-I458 HydrophobicContact CD2-CD1 4.09Å; L456-I458 HydrophobicContact CG-CD1 3.91Å; L456-I458 HydrophobicContact CG-CG1 4.33Å; I458-F474 HydrophobicContact CG2-CD2 3.58Å; I458-F474 HydrophobicContact CG2-CE2 3.78Å; I458-H477 HydrophobicContact CD1-CB 4.06Å
459F98.8Very high96.8Very high0 Ų038.9 Ų38.90%019%0.191CC..EExtended strand (participates in β ladder)trans-81.5143.1177-65.3-72.5000110.2N101 R102 C161 A164 F197 S475 G476 L478N101-F459 WeakPolarHBondContact O-CA 3.1Å; R102-F459 HydrophobicContact CB-CD1 3.94Å; R102-F459 HydrophobicContact CB-CE1 4.17Å; R102-F459 VanDerWaalsContact CD-CE1 3.48Å; R102-F459 HydrophobicContact CG-CD1 3.87Å; R102-F459 HydrophobicContact CG-CE1 3.96Å; R102-F459 HydrophobicContact CG-CG 4.46Å; C161-F459 HydrophobicContact CB-CD1 4.44Å; C161-F459 HydrophobicContact CB-CE1 4.02Å; C161-F459 HydrophobicContact CB-CE2 4.36Å; C161-F459 HydrophobicContact CB-CZ 3.99Å; A164-F459 HydrophobicContact CB-CE2 4.07Å; F197-F459 HydrophobicContact CE1-CB 3.9Å; F197-F459 HydrophobicContact CE1-CD1 4.44Å; F197-F459 HydrophobicContact CE1-CG 4.5Å; F197-F459 HydrophobicContact CE2-CD1 4.02Å; F197-F459 HydrophobicContact CE2-CE1 4.5Å; F197-F459 HydrophobicContact CZ-CB 3.92Å; F197-F459 AromaticContact CZ-CD1 3.64Å; F197-F459 HydrophobicContact CZ-CD1 3.64Å; F197-F459 HydrophobicContact CZ-CG 4.12Å; F459-S475 PolarHBondContact O-N 3.25Å; F459-G476 PolarHBondContact N-O 2.99Å; F459-L478 HydrophobicContact CE2-CB 3.64Å; F459-L478 HydrophobicContact CZ-CB 3.98Å; F459-L478 HydrophobicContact CZ-CD2 4.15Å
460G98.7Very high97Very high0 Ų037.8 Ų37.80%018%0.178CC..EExtended strand (participates in β ladder)trans-142.6149.9171.100000111.6N101 E473N101-G460 PolarHBondContact N-O 3.27Å; N101-G460 PolarHBondContact O-N 2.69Å; G460-E473 CarbonylContact C-O 3.34Å; G460-E473 WeakPolarHBondContact CA-O 3.36Å
461A98.8Very high97.2Very high0 Ų035 Ų350%017%0.168CC..EExtended strand (participates in β ladder)trans-118.5138.8175.400000110.1N50 G99 L100 A200 L471 N472 E473 S475N50-A461 PolarHBondContact ND2-O 3.33Å; G99-A461 CarbonylContact O-C 3.58Å; G99-A461 VanDerWaalsContact O-CA 3.32Å; G99-A461 WeakPolarHBondContact O-CA 3.5Å; L100-A461 HydrophobicContact CD2-CB 3.96Å; A200-A461 HydrophobicContact CB-CB 3.78Å; A461-L471 HydrophobicContact CB-CD2 3.65Å; A461-N472 WeakPolarHBondContact O-CA 3.18Å; A461-E473 HydrophobicContact CB-CG 4.13Å; A461-E473 PolarHBondContact N-O 3.01Å; A461-E473 PolarHBondContact O-N 3.12Å; A461-S475 WeakPolarHBondContact CB-OG 3.33Å; A461-S475 PolarHBondContact N-OG 3.4Å
462I98.8Very high97.3Very high0 Ų031.9 Ų31.90%016%0.157CC..EExtended strand (participates in β ladder)trans-135.9128.2172.6-174.5161000110.3N50 H54 L98 G99 Y320 A464 I469 L471 N472N50-I462 HydrophobicContact CB-CB 4.19Å; N50-I462 HydrophobicContact CB-CD1 4.21Å; N50-I462 HydrophobicContact CB-CG2 4.44Å; H54-I462 HydrophobicContact CB-CD1 3.69Å; L98-I462 CarbonylContact C-O 3.56Å; L98-I462 WeakPolarHBondContact CA-O 3.12Å; G99-I462 PolarHBondContact N-O 2.88Å; G99-I462 PolarHBondContact O-N 2.59Å; Y320-I462 HydrophobicContact CE2-CG2 4.21Å; I462-A464 HydrophobicContact CG1-CB 4.24Å; I462-I469 HydrophobicContact CD1-CD1 4.29Å; I462-L471 CarbonylContact C-O 3.59Å; I462-L471 VanDerWaalsContact CA-O 3.23Å; I462-L471 WeakPolarHBondContact CA-O 3.42Å; I462-L471 WeakPolarHBondContact CG1-O 3.33Å; I462-N472 HydrophobicContact CD1-CB 4.49Å; I462-N472 HydrophobicContact CG1-CB 4.47Å
463L98.8Very high97.3Very high3 Ų334 Ų342%0.01617%0.166CC..EExtended strand (participates in β ladder)trans-122.3119.3171.2-175.365.5000107.3I96 V97 L98 A204 M207 I313 F470 L471I96-L463 HydrophobicContact CG2-CD1 3.63Å; I96-L463 HydrophobicContact CG2-CG 4.23Å; V97-L463 WeakPolarHBondContact O-CA 3.34Å; L98-L463 HydrophobicContact CB-CD1 4.05Å; L98-L463 HydrophobicContact CD1-CB 4.44Å; L98-L463 HydrophobicContact CD1-CD1 4.31Å; A204-L463 HydrophobicContact CB-CD1 3.9Å; A204-L463 HydrophobicContact CB-CD2 4.46Å; M207-L463 HydrophobicContact CB-CD2 4.41Å; M207-L463 HydrophobicContact CG-CD2 3.7Å; I313-L463 HydrophobicContact CG2-CD1 4.49Å; L463-F470 HydrophobicContact CG-CB 4.42Å; L463-F470 HydrophobicContact CG-CD2 4.27Å; L463-F470 WeakPolarHBondContact O-CA 3.41Å; L463-F470 WeakPolarHBondContact O-CB 3.18Å; L463-F470 PolarHBondContact O-N 3.14Å; L463-L471 HydrophobicContact CB-CB 3.92Å; L463-L471 PolarHBondContact N-O 3.2Å; L463-L471 PolarHBondContact O-N 3.29Å
464A98.4Very high97.5Very high0 Ų037 Ų370%018%0.179CC..EExtended strand (participates in β ladder)trans-156.1160.5-170.100000111.6H54 I96 V97 I462 E468 I469H54-A464 VanDerWaalsContact CE1-CB 3.41Å; H54-A464 WeakPolarHBondContact CE1-CB 3.4Å; I96-A464 CarbonylContact C-O 3.57Å; I96-A464 WeakPolarHBondContact CA-O 3.43Å; V97-A464 WeakPolarHBondContact CG2-O 3.49Å; V97-A464 PolarHBondContact N-O 3.24Å; V97-A464 PolarHBondContact O-N 3.24Å; V97-A464 VanDerWaalsContact O-N 3.1Å; I462-A464 HydrophobicContact CG1-CB 4.24Å; A464-E468 CarbonylContact C-O 3.56Å; A464-E468 VanDerWaalsContact CA-O 3.29Å; A464-E468 WeakPolarHBondContact CA-O 3.3Å; A464-E468 WeakPolarHBondContact CB-O 3.44Å; A464-I469 HydrophobicContact CB-CD1 3.55Å
465C96.3Very high97.6Very high14 Ų1436.9 Ų36.910%0.09518%0.179CC..  trans-111.4-176.3153.769.90000108.4H54 D95 D467 E468 F470H54-C465 PolarHBondContact CE1-O 3.33Å; H54-C465 VanDerWaalsContact CE1-O 3.3Å; H54-C465 PolarHBondContact NE2-O 3.36Å; H54-C465 VanDerWaalsContact NE2-O 3.13Å; D95-C465 HydrophobicContact CB-CB 4.44Å; D95-C465 WeakPolarHBondContact O-CA 3.22Å; C465-D467 VanDerWaalsContact C-N 3.25Å; C465-D467 PolarHBondContact O-N 3.32Å; C465-E468 PolarHBondContact N-O 3.26Å; C465-F470 HydrophobicContact CB-CE2 4.28Å
466K93.1Very high97.6Very high141 Ų14136.3 Ų36.361%0.61318%0.177SC*.SBendtrans-54.9-40.3-176.5179.7177175.2-177.80113.7M58M58-K466 HydrophobicContact CB-CG 4.27Å; M58-K466 HydrophobicContact CG-CB 4.41Å; M58-K466 HydrophobicContact CG-CG 4.38Å; M58-K466 HydrophobicContact SD-CB 4.13Å
467D90.9Very high97.6Very high149 Ų14936.5 Ų36.580%0.79718%0.178SC*.SBendtrans-105.1-10-169.2-57-47.7000113.1C465C465-D467 VanDerWaalsContact C-N 3.25Å; C465-D467 PolarHBondContact O-N 3.32Å
468E97.2Very high97.6Very high114 Ų11436.6 Ų36.653%0.53318%0.178SC..  trans-140.9132.7-173.8-168.6177.1176.800112A464 C465 F470A464-E468 CarbonylContact C-O 3.56Å; A464-E468 VanDerWaalsContact CA-O 3.29Å; A464-E468 WeakPolarHBondContact CA-O 3.3Å; A464-E468 WeakPolarHBondContact CB-O 3.44Å; C465-E468 PolarHBondContact N-O 3.26Å; E468-F470 HydrophobicContact CB-CE1 4.19Å; E468-F470 HydrophobicContact CB-CZ 4.22Å; E468-F470 HydrophobicContact CG-CD1 4.09Å; E468-F470 HydrophobicContact CG-CE1 3.76Å; E468-F470 HydrophobicContact CG-CZ 4.29Å; E468-F470 WeakPolarHBondContact OE2-CE1 3.3Å
469I98.3Very high97.6Very high69 Ų6936.6 Ų36.635%0.35418%0.178SC..EExtended strand (participates in β ladder)trans-101.3111.6173.3-52.6-57.4000108.3L51 I462 A464 N472L51-I469 HydrophobicContact CD1-CD1 4.11Å; L51-I469 HydrophobicContact CD1-CG1 4.28Å; I462-I469 HydrophobicContact CD1-CD1 4.29Å; A464-I469 HydrophobicContact CB-CD1 3.55Å; I469-N472 HydrophobicContact CG2-CB 3.72Å
470F98.1Very high97.5Very high72 Ų7237.5 Ų37.532%0.31618%0.182SC..EExtended strand (participates in β ladder)trans-84.3-32.6178.9-50.8-68.7000112.6I96 L463 C465 E468I96-F470 HydrophobicContact CG1-CE2 4.07Å; I96-F470 HydrophobicContact CG2-CE2 4.31Å; L463-F470 HydrophobicContact CG-CB 4.42Å; L463-F470 HydrophobicContact CG-CD2 4.27Å; L463-F470 WeakPolarHBondContact O-CA 3.41Å; L463-F470 WeakPolarHBondContact O-CB 3.18Å; L463-F470 PolarHBondContact O-N 3.14Å; C465-F470 HydrophobicContact CB-CE2 4.28Å; E468-F470 HydrophobicContact CB-CE1 4.19Å; E468-F470 HydrophobicContact CB-CZ 4.22Å; E468-F470 HydrophobicContact CG-CD1 4.09Å; E468-F470 HydrophobicContact CG-CE1 3.76Å; E468-F470 HydrophobicContact CG-CZ 4.29Å; E468-F470 WeakPolarHBondContact OE2-CE1 3.3Å
471L98.3Very high97.3Very high33 Ų3337.7 Ų37.717%0.17318%0.183CC..EExtended strand (participates in β ladder)trans-149.1133.9178.8178.8128.5000108.4A200 A461 I462 L463 E473A200-L471 HydrophobicContact CB-CD2 4.29Å; A461-L471 HydrophobicContact CB-CD2 3.65Å; I462-L471 CarbonylContact C-O 3.59Å; I462-L471 VanDerWaalsContact CA-O 3.23Å; I462-L471 WeakPolarHBondContact CA-O 3.42Å; I462-L471 WeakPolarHBondContact CG1-O 3.33Å; L463-L471 HydrophobicContact CB-CB 3.92Å; L463-L471 PolarHBondContact N-O 3.2Å; L463-L471 PolarHBondContact O-N 3.29Å; L471-E473 HydrophobicContact CD2-CG 3.96Å; L471-E473 HydrophobicContact CG-CG 4.17Å
472N98.5Very high97.1Very high49 Ų4939 Ų3926%0.26219%0.188SC..EExtended strand (participates in β ladder)trans-150.5107.1168.5178.619.4000108.6C47 N50 A461 I462 I469C47-N472 PolarHBondContact O-ND2 3.38Å; C47-N472 PolarHBondContact O-OD1 3.14Å; N50-N472 WeakPolarHBondContact CB-OD1 3.33Å; N50-N472 PolarHBondContact ND2-OD1 3.16Å; A461-N472 WeakPolarHBondContact O-CA 3.18Å; I462-N472 HydrophobicContact CD1-CB 4.49Å; I462-N472 HydrophobicContact CG1-CB 4.47Å; I469-N472 HydrophobicContact CG2-CB 3.72Å
473E97.9Very high96.8Very high43 Ų4339.9 Ų39.920%0.20120%0.195CC..EExtended strand (participates in β ladder)trans-143.5155.4-171.859.4172.7-138.400113.2N50 G460 A461 L471 S475N50-E473 PolarHBondContact ND2-O 3.39Å; G460-E473 CarbonylContact C-O 3.34Å; G460-E473 WeakPolarHBondContact CA-O 3.36Å; A461-E473 HydrophobicContact CB-CG 4.13Å; A461-E473 PolarHBondContact N-O 3.01Å; A461-E473 PolarHBondContact O-N 3.12Å; L471-E473 HydrophobicContact CD2-CG 3.96Å; L471-E473 HydrophobicContact CG-CG 4.17Å; E473-S475 PolarHBondContact OE1-OG 2.99Å
474F98.1Very high96.4Very high69 Ų6942.9 Ų42.930%0.30321%0.21SC..EExtended strand (participates in β ladder)trans-70.9133.3156.4160.2-102.9000109.2Q43 I458 G476Q43-F474 HydrophobicContact CB-CD2 4.18Å; Q43-F474 HydrophobicContact CB-CE2 4.17Å; Q43-F474 HydrophobicContact CG-CD2 4.08Å; Q43-F474 HydrophobicContact CG-CE2 3.57Å; Q43-F474 HydrophobicContact CG-CZ 3.8Å; I458-F474 HydrophobicContact CG2-CD2 3.58Å; I458-F474 HydrophobicContact CG2-CE2 3.78Å; F474-G476 WeakPolarHBondContact CE2-O 3.31Å
475S98.3Very high95.9Very high1 Ų149.4 Ų49.41%0.00724%0.241CC..EExtended strand (participates in β ladder)trans-126.731.2-171.9-55.90000112.1S193 F459 A461 E473S193-S475 WeakPolarHBondContact CA-O 3.24Å; S193-S475 VanDerWaalsContact CB-O 3.23Å; S193-S475 WeakPolarHBondContact CB-O 3.48Å; F459-S475 PolarHBondContact O-N 3.25Å; A461-S475 WeakPolarHBondContact CB-OG 3.33Å; A461-S475 PolarHBondContact N-OG 3.4Å; E473-S475 PolarHBondContact OE1-OG 2.99Å
476G98.3Very high95.3Very high4 Ų449.7 Ų49.74%0.04124%0.243CC..EExtended strand (participates in β ladder)trans103.1-179.6176.800000114.5F459 F474F459-G476 PolarHBondContact N-O 2.99Å; F474-G476 WeakPolarHBondContact CE2-O 3.31Å
477H98.3Very high94.6Very high5 Ų546.3 Ų46.32%0.02323%0.232CC..EExtended strand (participates in β ladder)trans-133160.3-172.265.3-92.8000111.8A164 D190 C191 G457 I458A164-H477 WeakPolarHBondContact CB-O 3.41Å; D190-H477 PolarHBondContact O-CE1 3.19Å; C191-H477 PolarHBondContact SG-O 2.92Å; G457-H477 CarbonylContact O-C 3.52Å; G457-H477 WeakPolarHBondContact O-CA 3.08Å; I458-H477 HydrophobicContact CD1-CB 4.06Å
478L97.4Very high93.9Very high2 Ų240.2 Ų40.21%0.0120%0.198CC..EExtended strand (participates in β ladder)trans-137.9133.8175.9165.467.7000107F160 A164 G457 F459 R480 L498F160-L478 HydrophobicContact CB-CD1 4.01Å; F160-L478 HydrophobicContact CB-CD2 3.95Å; F160-L478 HydrophobicContact CD2-CD2 4.31Å; A164-L478 HydrophobicContact CB-CB 4.16Å; A164-L478 HydrophobicContact CB-CD1 4Å; G457-L478 PolarHBondContact N-O 3.39Å; G457-L478 PolarHBondContact O-N 3.34Å; F459-L478 HydrophobicContact CE2-CB 3.64Å; F459-L478 HydrophobicContact CZ-CB 3.98Å; F459-L478 HydrophobicContact CZ-CD2 4.15Å; L478-R480 HydrophobicContact CD1-CG 4.14Å; L478-R480 HydrophobicContact CD2-CG 3.98Å; L478-R480 HydrophobicContact CG-CG 3.96Å; L478-L498 HydrophobicContact CD1-CD1 3.31Å
479L97.8Very high92.3Very high0 Ų035.4 Ų35.40%018%0.179CC..EExtended strand (participates in β ladder)trans-109136.6164-162.566.8000108.2L34 T454 L456 D499L34-L479 HydrophobicContact CD1-CD1 3.81Å; T454-L479 HydrophobicContact CG2-CD1 4.28Å; T454-L479 HydrophobicContact CG2-CD2 4.11Å; T454-L479 HydrophobicContact CG2-CG 4.31Å; L456-L479 HydrophobicContact CB-CD1 4.09Å; L456-L479 HydrophobicContact CD1-CD1 4.26Å; L479-D499 HydrophobicContact CB-CB 3.94Å; L479-D499 HydrophobicContact CD2-CB 4.2Å; L479-D499 HydrophobicContact CG-CB 4.07Å; L479-D499 CarbonylContact O-C 3.34Å; L479-D499 WeakPolarHBondContact O-CA 3.48Å; L479-D499 WeakPolarHBondContact O-CB 3.33Å; L479-D499 PolarHBondContact O-N 2.73Å
480R96.6Very high90.9Very high20 Ų2032.9 Ų32.98%0.07517%0.171CC..EExtended strand (participates in β ladder)trans-121142.4171.2-67.3178.1-78157.4-2.2108D104 T454 E455 L478 I491 C497D104-R480 IonicContact OD1-CZ 2.75Å; D104-R480 IonicContact OD1-NH2 3.54Å; D104-R480 PolarHBondContact OD1-NH2 3.27Å; D104-R480 IonicContact OD2-NH2 3.52Å; D104-R480 PolarHBondContact OD2-NH2 2.91Å; T454-R480 CarbonylContact C-O 3.58Å; T454-R480 WeakPolarHBondContact CA-O 3.43Å; E455-R480 HydrophobicContact CB-CB 4.47Å; E455-R480 PolarHBondContact N-O 2.99Å; E455-R480 PolarHBondContact O-N 3.49Å; E455-R480 IonicContact OE1-CZ 2.84Å; E455-R480 VanDerWaalsContact OE1-CZ 3.28Å; E455-R480 IonicContact OE1-NH1 3.78Å; E455-R480 PolarHBondContact OE1-NH1 3.39Å; E455-R480 IonicContact OE1-NH2 3.16Å; E455-R480 PolarHBondContact OE1-NH2 3.09Å; L478-R480 HydrophobicContact CD1-CG 4.14Å; L478-R480 HydrophobicContact CD2-CG 3.98Å; L478-R480 HydrophobicContact CG-CG 3.96Å; R480-I491 HydrophobicContact CG-CD1 3.69Å; R480-I491 HydrophobicContact CG-CG1 4.26Å; R480-C497 WeakPolarHBondContact CA-O 3.43Å
481S96.1Very high89.6Confident3 Ų329.6 Ų29.62%0.02116%0.156CC..EExtended strand (participates in β ladder)trans-129.7142.7179.9-70.80000110V453 G496 C497 D499V453-S481 WeakPolarHBondContact O-CA 3.28Å; S481-G496 CarbonylContact O-C 3.5Å; S481-G496 WeakPolarHBondContact O-CA 3.47Å; S481-C497 PolarHBondContact N-O 3.24Å; S481-C497 PolarHBondContact O-N 3Å; S481-C497 PolarHBondContact O-SG 2.93Å; S481-D499 WeakPolarHBondContact CB-OD2 3.27Å; S481-D499 PolarHBondContact OG-OD2 3.14Å
482K93.9Very high87.8Confident27 Ų2729.7 Ų29.712%0.11716%0.158CC..EExtended strand (participates in β ladder)trans-133.7149.4176.264.9-177.6-174.7-176.40110.6M452 V453 S486 N487 E488 Y495M452-K482 CarbonylContact C-O 3.56Å; M452-K482 WeakPolarHBondContact CA-O 3.27Å; M452-K482 WeakPolarHBondContact CB-O 3.48Å; V453-K482 HydrophobicContact CG2-CD 4.19Å; V453-K482 HydrophobicContact CG2-CG 3.51Å; V453-K482 PolarHBondContact N-O 3.17Å; V453-K482 PolarHBondContact O-N 2.81Å; K482-S486 VanDerWaalsContact CD-O 3.3Å; K482-S486 WeakPolarHBondContact CD-O 3.49Å; K482-S486 WeakPolarHBondContact CE-O 3.24Å; K482-S486 PolarHBondContact NZ-O 3.5Å; K482-N487 PolarHBondContact NZ-O 3.43Å; K482-E488 WeakPolarHBondContact CD-O 3.42Å; K482-Y495 WeakPolarHBondContact CB-O 3.32Å
483P93.1Very high86.1Confident20 Ų2030.3 Ų30.313%0.1317%0.17CC..EExtended strand (participates in β ladder)trans-53.4144.6167.5-22.833.8000110.7I437 K450 K451 E485 S486I437-P483 HydrophobicContact CD1-CG 4Å; K450-P483 HydrophobicContact CD-CG 4.26Å; K451-P483 WeakPolarHBondContact O-CA 3.48Å; P483-E485 VanDerWaalsContact CB-OE2 3.32Å; P483-E485 WeakPolarHBondContact CB-OE2 3.41Å; P483-E485 PolarHBondContact O-N 3.37Å; P483-E485 VanDerWaalsContact O-N 3.15Å; P483-S486 VanDerWaalsContact O-CB 3.32Å; P483-S486 WeakPolarHBondContact O-CB 3.3Å; P483-S486 PolarHBondContact O-N 2.93Å
484L90.7Very high84.8Confident66 Ų6631 Ų3135%0.34619%0.189SC..THydrogen-bonded Turntrans-56.1-32.1-179.1178.162.7000112.5I432 K451 V453 S486I432-L484 HydrophobicContact CD1-CD1 4.06Å; I432-L484 HydrophobicContact CD1-CD2 3.93Å; I432-L484 HydrophobicContact CG1-CD1 4.17Å; K451-L484 HydrophobicContact CB-CB 4.16Å; K451-L484 HydrophobicContact CB-CD2 4.3Å; K451-L484 HydrophobicContact CD-CD2 4.39Å; K451-L484 PolarHBondContact O-N 3.43Å; V453-L484 HydrophobicContact CG1-CD1 3.9Å; L484-S486 PolarHBondContact O-N 2.75Å
485E86.8Confident83.8Confident137 Ų13732.4 Ų32.464%0.6419%0.193SC*.THydrogen-bonded Turntrans-76.9-10.7-179.1-49.476-16300112.6P483P483-E485 VanDerWaalsContact CB-OE2 3.32Å; P483-E485 WeakPolarHBondContact CB-OE2 3.41Å; P483-E485 PolarHBondContact O-N 3.37Å; P483-E485 VanDerWaalsContact O-N 3.15Å
486S83.3Confident83.3Confident20 Ų2032.7 Ų32.714%0.1420%0.196CC..  trans-90.6115.4179.3-171.70000110.7K482 P483 L484 E488 Y495K482-S486 VanDerWaalsContact CD-O 3.3Å; K482-S486 WeakPolarHBondContact CD-O 3.49Å; K482-S486 WeakPolarHBondContact CE-O 3.24Å; K482-S486 PolarHBondContact NZ-O 3.5Å; P483-S486 VanDerWaalsContact O-CB 3.32Å; P483-S486 WeakPolarHBondContact O-CB 3.3Å; P483-S486 PolarHBondContact O-N 2.93Å; L484-S486 PolarHBondContact O-N 2.75Å; S486-E488 VanDerWaalsContact C-N 3.35Å; S486-E488 PolarHBondContact OG-O 3.1Å; S486-Y495 PolarHBondContact OG-O 3.37Å; S486-Y495 VanDerWaalsContact OG-O 3.05Å
487N78.7Confident83Confident70 Ų7032.5 Ų32.537%0.37419%0.194SC..  trans-73.7-26.4178.4-74.3-27.4000112.8F402 K482F402-N487 HydrophobicContact CD1-CB 4.47Å; F402-N487 HydrophobicContact CD2-CB 3.6Å; F402-N487 HydrophobicContact CE2-CB 3.69Å; F402-N487 HydrophobicContact CG-CB 4.01Å; F402-N487 HydrophobicContact CZ-CB 4.18Å; F402-N487 WeakPolarHBondContact CZ-O 3.45Å; K482-N487 PolarHBondContact NZ-O 3.43Å
488E75.7Confident83Confident20 Ų2032.3 Ų32.39%0.09319%0.193CC..  trans-104.1151.7-174.1-74.4-70.9168.500113G398 N399 N400 K482 S486 Y495G398-E488 VanDerWaalsContact N-CD 3.26Å; G398-E488 PolarHBondContact N-OE2 3.37Å; N399-E488 PolarHBondContact N-OE1 2.82Å; N400-E488 WeakPolarHBondContact CB-OE1 3.4Å; N400-E488 PolarHBondContact N-OE1 3.3Å; N400-E488 VanDerWaalsContact N-OE1 3.1Å; N400-E488 PolarHBondContact ND2-OE1 2.67Å; K482-E488 WeakPolarHBondContact CD-O 3.42Å; S486-E488 VanDerWaalsContact C-N 3.35Å; S486-E488 PolarHBondContact OG-O 3.1Å; E488-Y495 HydrophobicContact CB-CD1 4.02Å; E488-Y495 HydrophobicContact CB-CD2 3.48Å; E488-Y495 VanDerWaalsContact CB-CD2 3.48Å; E488-Y495 HydrophobicContact CB-CE1 4.42Å; E488-Y495 HydrophobicContact CB-CE2 3.91Å; E488-Y495 HydrophobicContact CB-CG 3.55Å; E488-Y495 HydrophobicContact CG-CD2 4.44Å; E488-Y495 HydrophobicContact CG-CE2 4.4Å; E488-Y495 WeakPolarHBondContact O-CB 3.47Å
489G63.3Low83Confident13 Ų1332.2 Ų32.213%0.13419%0.192CC..  trans-102.3-4.3-174.700000115.6I491G489-I491 PolarHBondContact O-N 2.98Å; G489-I491 VanDerWaalsContact O-N 3.17Å
490G70Confident83Confident17 Ų1732.3 Ų32.318%0.17519%0.193CC..  trans-66.3112.1-174.200000113.1G494 Y495 G496G490-G494 PolarHBondContact O-N 3.08Å; G490-Y495 PolarHBondContact O-N 3.26Å; G490-G496 PolarHBondContact O-N 2.9Å
491I70.3Confident83.1Confident2 Ų231.3 Ų31.31%0.0119%0.189CC..THydrogen-bonded Turntrans-65-49179.9-53.2174.2000111.3L25 F160 R480 G489 A493 G494 L498L25-I491 HydrophobicContact CD1-CG2 3.57Å; L25-I491 HydrophobicContact CD2-CG2 4.41Å; L25-I491 HydrophobicContact CG-CG2 4Å; F160-I491 HydrophobicContact CD2-CD1 3.91Å; F160-I491 HydrophobicContact CE1-CD1 4.33Å; F160-I491 HydrophobicContact CE2-CB 4.09Å; F160-I491 HydrophobicContact CE2-CD1 3.54Å; F160-I491 HydrophobicContact CE2-CG1 4.05Å; F160-I491 HydrophobicContact CG-CD1 4.44Å; F160-I491 HydrophobicContact CZ-CB 3.81Å; F160-I491 HydrophobicContact CZ-CD1 3.77Å; F160-I491 HydrophobicContact CZ-CG1 4.22Å; F160-I491 HydrophobicContact CZ-CG2 4.37Å; R480-I491 HydrophobicContact CG-CD1 3.69Å; R480-I491 HydrophobicContact CG-CG1 4.26Å; G489-I491 PolarHBondContact O-N 2.98Å; G489-I491 VanDerWaalsContact O-N 3.17Å; I491-A493 VanDerWaalsContact C-N 3.28Å; I491-A493 PolarHBondContact O-N 2.79Å; I491-G494 PolarHBondContact O-N 3.36Å; I491-L498 HydrophobicContact CD1-CB 4.38Å; I491-L498 HydrophobicContact CD1-CD1 4.45Å
492V59.7Low83.2Confident36 Ų3631.2 Ų31.222%0.21819%0.188CC..THydrogen-bonded Turntrans-66.7-35.6-178.6-168.60000111.8F160 K233 N234 G494F160-V492 HydrophobicContact CE1-CG2 4.49Å; F160-V492 HydrophobicContact CZ-CG2 3.76Å; K233-V492 HydrophobicContact CB-CG1 3.66Å; K233-V492 HydrophobicContact CD-CG1 3.98Å; K233-V492 HydrophobicContact CG-CG1 4.44Å; N234-V492 VanDerWaalsContact CG-CG2 3.45Å; N234-V492 VanDerWaalsContact ND2-CG2 3.3Å; N234-V492 WeakPolarHBondContact ND2-CG2 3.44Å; N234-V492 WeakPolarHBondContact OD1-CG2 3.27Å; V492-G494 PolarHBondContact O-N 3.14Å
493A63Low83.4Confident62 Ų6230.5 Ų30.551%0.51219%0.186SC..THydrogen-bonded Turntrans-69.5-7.7175.400000112.4I491 Y495I491-A493 VanDerWaalsContact C-N 3.28Å; I491-A493 PolarHBondContact O-N 2.79Å; A493-Y495 HydrophobicContact CB-CD2 3.52Å; A493-Y495 HydrophobicContact CB-CE2 3.53Å
494G71Confident83.6Confident57 Ų5729.5 Ų29.559%0.58818%0.179SC*.THydrogen-bonded Turntrans92.94.7174.200000114.6G490 I491 V492G490-G494 PolarHBondContact O-N 3.08Å; I491-G494 PolarHBondContact O-N 3.36Å; V492-G494 PolarHBondContact O-N 3.14Å
495Y77.1Confident83.2Confident99 Ų9927.7 Ų27.739%0.38817%0.171SC..SBendtrans-89.7-23.1-175.8-54.8-63.1000114K482 S486 E488 G490 A493K482-Y495 WeakPolarHBondContact CB-O 3.32Å; S486-Y495 PolarHBondContact OG-O 3.37Å; S486-Y495 VanDerWaalsContact OG-O 3.05Å; E488-Y495 HydrophobicContact CB-CD1 4.02Å; E488-Y495 HydrophobicContact CB-CD2 3.48Å; E488-Y495 VanDerWaalsContact CB-CD2 3.48Å; E488-Y495 HydrophobicContact CB-CE1 4.42Å; E488-Y495 HydrophobicContact CB-CE2 3.91Å; E488-Y495 HydrophobicContact CB-CG 3.55Å; E488-Y495 HydrophobicContact CG-CD2 4.44Å; E488-Y495 HydrophobicContact CG-CE2 4.4Å; E488-Y495 WeakPolarHBondContact O-CB 3.47Å; G490-Y495 PolarHBondContact O-N 3.26Å; A493-Y495 HydrophobicContact CB-CD2 3.52Å; A493-Y495 HydrophobicContact CB-CE2 3.53Å
496G87.5Confident83Confident7 Ų721.9 Ų21.97%0.07215%0.146CC..  trans-136.3-177.7-176.700000113.8S481 G490S481-G496 CarbonylContact O-C 3.5Å; S481-G496 WeakPolarHBondContact O-CA 3.47Å; G490-G496 PolarHBondContact O-N 2.9Å
497C93.6Very high83Confident0 Ų022.1 Ų22.10%015%0.147CC..EExtended strand (participates in β ladder)trans-140.5154.6178.164.40000111.1P26 I437 R480 S481P26-C497 HydrophobicContact CB-CB 3.9Å; P26-C497 CarbonylContact O-C 3.55Å; P26-C497 VanDerWaalsContact O-CA 3.27Å; P26-C497 WeakPolarHBondContact O-CA 3.37Å; P26-C497 WeakPolarHBondContact O-CB 3.36Å; I437-C497 HydrophobicContact CG2-CB 3.96Å; R480-C497 WeakPolarHBondContact CA-O 3.43Å; S481-C497 PolarHBondContact N-O 3.24Å; S481-C497 PolarHBondContact O-N 3Å; S481-C497 PolarHBondContact O-SG 2.93Å
498L96.7Very high83.2Confident0 Ų019.2 Ų19.20%013%0.133CC..EExtended strand (participates in β ladder)trans-70.8139.4175.4-171.763.9000110.1I14 L25 P26 C27 T28 L163 I167 L478 I491I14-L498 HydrophobicContact CD1-CD2 4.24Å; I14-L498 HydrophobicContact CG2-CD2 4.1Å; L25-L498 HydrophobicContact CD2-CB 4.22Å; L25-L498 HydrophobicContact CD2-CD2 4.16Å; P26-L498 PolarHBondContact O-N 3.32Å; C27-L498 CarbonylContact C-O 3.58Å; C27-L498 WeakPolarHBondContact CA-O 3.5Å; C27-L498 HydrophobicContact CB-CB 4.05Å; C27-L498 VanDerWaalsContact CB-O 3.3Å; C27-L498 WeakPolarHBondContact CB-O 3.27Å; T28-L498 PolarHBondContact N-O 3.36Å; L163-L498 HydrophobicContact CB-CD2 3.87Å; I167-L498 HydrophobicContact CB-CD2 3.8Å; I167-L498 HydrophobicContact CB-CG 4.07Å; I167-L498 HydrophobicContact CD1-CD2 4.18Å; I167-L498 HydrophobicContact CD1-CG 4.35Å; I167-L498 HydrophobicContact CG1-CD2 4.15Å; I167-L498 HydrophobicContact CG1-CG 4.08Å; I167-L498 HydrophobicContact CG2-CD2 4.3Å; I167-L498 HydrophobicContact CG2-CG 4.25Å; L478-L498 HydrophobicContact CD1-CD1 3.31Å; I491-L498 HydrophobicContact CD1-CB 4.38Å; I491-L498 HydrophobicContact CD1-CD1 4.45Å
499D97.4Very high83.7Confident1 Ų119.2 Ų19.21%0.00514%0.136CC..EExtended strand (participates in β ladder)trans-143.6172.9-177.3-158.7-10.6000110.5T28 S32 H171 L479 S481T28-D499 HydrophobicContact CG2-CB 4.15Å; T28-D499 WeakPolarHBondContact CG2-OD2 3.29Å; T28-D499 PolarHBondContact OG1-OD1 2.89Å; S32-D499 VanDerWaalsContact CB-OD2 3.22Å; S32-D499 WeakPolarHBondContact CB-OD2 3.41Å; S32-D499 PolarHBondContact N-OD1 2.69Å; S32-D499 PolarHBondContact OG-OD1 3.44Å; S32-D499 PolarHBondContact OG-OD2 3.4Å; H171-D499 IonicContact CE1-OD1 3Å; H171-D499 PolarHBondContact CE1-OD1 3.43Å; H171-D499 IonicContact ND1-OD1 3.28Å; L479-D499 HydrophobicContact CB-CB 3.94Å; L479-D499 HydrophobicContact CD2-CB 4.2Å; L479-D499 HydrophobicContact CG-CB 4.07Å; L479-D499 CarbonylContact O-C 3.34Å; L479-D499 WeakPolarHBondContact O-CA 3.48Å; L479-D499 WeakPolarHBondContact O-CB 3.33Å; L479-D499 PolarHBondContact O-N 2.73Å; S481-D499 WeakPolarHBondContact CB-OD2 3.27Å; S481-D499 PolarHBondContact OG-OD2 3.14Å
500S98Very high85.1Confident1 Ų119.6 Ų19.61%0.00714%0.136CC..  trans-139.2155.4166.778.70000110.5P31 S32 H171 V188P31-S500 CarbonylContact C-O 3.55Å; P31-S500 WeakPolarHBondContact CA-O 3.07Å; P31-S500 WeakPolarHBondContact CB-O 3.43Å; P31-S500 WeakPolarHBondContact CB-OG 3.46Å; S32-S500 PolarHBondContact N-O 2.99Å; H171-S500 PolarHBondContact CE1-N 3.21Å; H171-S500 VanDerWaalsContact CE1-N 3.35Å; H171-S500 PolarHBondContact ND1-N 2.76Å; H171-S500 PolarHBondContact ND1-OG 3.4Å; V188-S500 VanDerWaalsContact CG1-OG 3.25Å; V188-S500 WeakPolarHBondContact CG1-OG 3.34Å
501P98.4Very high86.2Confident0 Ų019.8 Ų19.80%013%0.133CC..EExtended strand (participates in β ladder)trans-63146.2175.2-2033.2000112.1S32 L34 L39 V188 P189 L503S32-P501 CarbonylContact O-C 3.51Å; L34-P501 HydrophobicContact CB-CB 4.14Å; L34-P501 HydrophobicContact CD2-CB 4.49Å; L39-P501 HydrophobicContact CD2-CG 4.43Å; V188-P501 WeakPolarHBondContact CA-O 3.24Å; P189-P501 WeakPolarHBondContact CD-O 3.4Å; P189-P501 HydrophobicContact CG-CB 3.99Å; P189-P501 HydrophobicContact CG-CG 4.07Å; P501-L503 HydrophobicContact CB-CD2 4.33Å
502F98.5Very high87.4Confident0 Ų021.2 Ų21.20%014%0.143CC..EExtended strand (participates in β ladder)trans-114.4107.4156.2-173.7-94.4000107.1P31 S32 P33 L34 T128 A131 A132 L175 L184 R187 V188 V504P31-F502 HydrophobicContact CB-CB 4Å; P31-F502 HydrophobicContact CG-CB 4.02Å; P31-F502 HydrophobicContact CG-CD2 3.9Å; P31-F502 HydrophobicContact CG-CG 4.4Å; S32-F502 PolarHBondContact O-N 3.49Å; P33-F502 CarbonylContact C-O 3.48Å; P33-F502 VanDerWaalsContact CA-O 3.3Å; P33-F502 WeakPolarHBondContact CA-O 3.46Å; L34-F502 PolarHBondContact N-O 2.89Å; T128-F502 HydrophobicContact CG2-CB 4.08Å; T128-F502 HydrophobicContact CG2-CD1 4.07Å; T128-F502 HydrophobicContact CG2-CD2 3.81Å; T128-F502 HydrophobicContact CG2-CE1 4.44Å; T128-F502 HydrophobicContact CG2-CE2 4.21Å; T128-F502 HydrophobicContact CG2-CG 3.71Å; T128-F502 HydrophobicContact CG2-CZ 4.5Å; A131-F502 HydrophobicContact CB-CD1 4.05Å; A131-F502 HydrophobicContact CB-CE1 4.07Å; A132-F502 HydrophobicContact CB-CE1 4.21Å; A132-F502 HydrophobicContact CB-CZ 3.9Å; L175-F502 HydrophobicContact CD1-CD2 4.22Å; L175-F502 HydrophobicContact CD1-CE2 4.07Å; L175-F502 HydrophobicContact CD2-CD2 4.37Å; L175-F502 HydrophobicContact CD2-CE2 4.2Å; L184-F502 HydrophobicContact CB-CE2 4.4Å; L184-F502 HydrophobicContact CB-CZ 4.37Å; L184-F502 HydrophobicContact CD1-CZ 4.48Å; R187-F502 HydrophobicContact CB-CD2 3.97Å; R187-F502 HydrophobicContact CB-CE1 4.44Å; R187-F502 HydrophobicContact CB-CE2 3.76Å; R187-F502 HydrophobicContact CB-CG 4.41Å; R187-F502 HydrophobicContact CB-CZ 4.03Å; R187-F502 HydrophobicContact CG-CZ 4.37Å; R187-F502 CarbonylContact O-C 3.5Å; R187-F502 WeakPolarHBondContact O-CA 3.46Å; V188-F502 HydrophobicContact CG2-CD2 4.33Å; F502-V504 HydrophobicContact CD1-CG1 4.11Å; F502-V504 PolarHBondContact O-N 3.49Å
503L98.3Very high89.7Confident12 Ų1219.9 Ų19.96%0.06314%0.136CC..EExtended strand (participates in β ladder)trans-63.9132.7-173.7-58.7176.7000110.8L34 E36 L39 I136 R187 P189 P501L34-L503 WeakPolarHBondContact O-CA 3.1Å; E36-L503 HydrophobicContact CB-CB 4.38Å; E36-L503 HydrophobicContact CB-CD2 4.27Å; E36-L503 HydrophobicContact CG-CD1 4.32Å; E36-L503 HydrophobicContact CG-CD2 4.42Å; L39-L503 HydrophobicContact CD2-CD2 3.66Å; I136-L503 HydrophobicContact CD1-CB 3.99Å; R187-L503 HydrophobicContact CB-CB 4.38Å; R187-L503 WeakPolarHBondContact CD-O 3.42Å; R187-L503 WeakPolarHBondContact O-CG 3.29Å; R187-L503 PolarHBondContact O-N 2.93Å; P189-L503 HydrophobicContact CB-CD1 4.2Å; P189-L503 HydrophobicContact CG-CD1 4.36Å; P189-L503 HydrophobicContact CG-CD2 4.23Å; P189-L503 HydrophobicContact CG-CG 4.31Å; P501-L503 HydrophobicContact CB-CD2 4.33Å
504V96.5Very high92.1Very high0 Ų016.1 Ų16.10%010%0.102CC..  trans-132.30-179.7-62.70000112.8P33 L34 P35 E36 R124 L125 A131 I136 E137 W143 F502P33-V504 HydrophobicContact CB-CG1 3.99Å; L34-V504 PolarHBondContact O-N 3.3Å; P35-V504 HydrophobicContact CG-CG2 4.18Å; E36-V504 PolarHBondContact N-O 3.04Å; R124-V504 PolarHBondContact NH2-OXT 2.7Å; L125-V504 HydrophobicContact CD2-CG2 3.6Å; A131-V504 HydrophobicContact CB-CG1 3.5Å; I136-V504 VanDerWaalsContact CA-OXT 3.27Å; I136-V504 WeakPolarHBondContact CA-OXT 3.07Å; E137-V504 PolarHBondContact N-OXT 3.19Å; W143-V504 HydrophobicContact CH2-CB 4.33Å; W143-V504 HydrophobicContact CH2-CG2 3.54Å; W143-V504 HydrophobicContact CZ2-CB 4.36Å; W143-V504 HydrophobicContact CZ2-CG2 3.74Å; F502-V504 HydrophobicContact CD1-CG1 4.11Å; F502-V504 PolarHBondContact O-N 3.49Å

Retrieved 504 of 504 residues in 633.5 ms (Link to these results)

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