A0A096MXL0_PAPAN Loading...

Transketolase

Catalyzes the transfer of a two-carbon ketol group from a ketose donor to an aldose acceptor, via a covalent intermediate with the cofactor thiamine pyrophosphate.

AlphaFold DB (A0A2K6KWV6), UniProt , Accession A0A096MXL0, Species PAPAN (Papio anubis, Olive baboon), Gene TKT, Length 623 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
1M50.2Low85.7Confident211 Ų211113.5 Ų113.5100%1.03956%0.559SS**  0118.80-70.5178.9-156.700107.1A231M1-A231 HydrophobicContact CE-CB 3.86Å; M1-A231 HydrophobicContact SD-CB 3.6Å
2E64.1Low86.8Confident142 Ų142104.3 Ų104.366%0.66451%0.514SS*.PPolyproline II helixtrans-57.4143.6162.5-76.1-174.8146.100108.8R57E2-R57 IonicContact OE2-NE 2.71Å; E2-R57 IonicContact OE2-NH2 3.03Å
3G73.3Confident87.7Confident57 Ų5799.4 Ų99.459%0.58849%0.489SS*.PPolyproline II helixtrans-60.7146.6175.300000110.8H5G3-H5 PolarHBondContact O-CD2 3.2Å; G3-H5 PolarHBondContact O-N 2.86Å; G3-H5 VanDerWaalsContact O-N 3.15Å
4Y87.7Confident88.5Confident93 Ų9393.9 Ų93.937%0.36547%0.468SS..PPolyproline II helixtrans-60.1118.1173.1168.7-115.5000110.6K6 P7 H54 C225 K226Y4-K6 HydrophobicContact CD1-CB 4.32Å; Y4-K6 HydrophobicContact CE1-CB 3.84Å; Y4-K6 HydrophobicContact CE1-CG 4.18Å; Y4-K6 PolarHBondContact O-N 3.24Å; Y4-K6 VanDerWaalsContact O-N 3.17Å; Y4-P7 VanDerWaalsContact OH-CD 3.28Å; Y4-P7 WeakPolarHBondContact OH-CD 3.25Å; Y4-H54 AromaticContact CE2-NE2 3.84Å; Y4-C225 VanDerWaalsContact CE2-O 3.25Å; Y4-C225 WeakPolarHBondContact CE2-O 3.25Å; Y4-C225 PolarHBondContact OH-O 3.46Å; Y4-K226 PolarHBondContact OH-N 3.11Å
5H87.9Confident89.2Confident126 Ų12687.7 Ų87.758%0.58344%0.437SS*.  trans-81.592.9175.1-70.4-167.4000109.3G3 P7 H54G3-H5 PolarHBondContact O-CD2 3.2Å; G3-H5 PolarHBondContact O-N 2.86Å; G3-H5 VanDerWaalsContact O-N 3.15Å; H5-P7 WeakPolarHBondContact O-CD 3.41Å; H5-H54 PolarHBondContact O-CE1 3.06Å
6K94.6Very high89.8Confident163 Ų16387.7 Ų87.771%0.70943%0.433SS*.  trans-57.7119.8176.6-172.7179179.6-175.90110Y4Y4-K6 HydrophobicContact CD1-CB 4.32Å; Y4-K6 HydrophobicContact CE1-CB 3.84Å; Y4-K6 HydrophobicContact CE1-CG 4.18Å; Y4-K6 PolarHBondContact O-N 3.24Å; Y4-K6 VanDerWaalsContact O-N 3.17Å
7P95.8Very high90.3Very high15 Ų1582.7 Ų82.710%0.09741%0.409CS..  trans-69.8141.3-177.829.9-35.9000110.9Y4 H5 K11 L12 C225Y4-P7 VanDerWaalsContact OH-CD 3.28Å; Y4-P7 WeakPolarHBondContact OH-CD 3.25Å; H5-P7 WeakPolarHBondContact O-CD 3.41Å; P7-K11 HydrophobicContact CB-CB 3.99Å; P7-K11 HydrophobicContact CB-CG 3.79Å; P7-L12 HydrophobicContact CB-CD2 3.98Å; P7-L12 HydrophobicContact CB-CG 4.12Å; P7-L12 HydrophobicContact CG-CD2 3.58Å; P7-L12 HydrophobicContact CG-CG 4.1Å; P7-C225 HydrophobicContact CG-CB 3.95Å
8D97Very high90.8Very high97 Ų9778.1 Ų78.152%0.51939%0.386SS..  trans-80.8175.2167.966.117.3000111.3Q10 K11 L12D8-Q10 VanDerWaalsContact C-N 3.25Å; D8-Q10 PolarHBondContact O-N 2.92Å; D8-Q10 PolarHBondContact OD1-N 3.47Å; D8-K11 PolarHBondContact O-N 2.81Å; D8-K11 WeakPolarHBondContact OD1-CB 3.41Å; D8-K11 PolarHBondContact OD1-N 3.43Å; D8-L12 VanDerWaalsContact O-CG 3.32Å; D8-L12 WeakPolarHBondContact O-CG 3.45Å; D8-L12 PolarHBondContact O-N 2.89Å
9Q97.1Very high91.2Very high131 Ų13174 Ų7461%0.61237%0.366SS*.Hα-helixtrans-61.9-32.9-179.6-73.1-59.7-34.900113.1L12 Q13Q9-L12 PolarHBondContact O-N 3.34Å; Q9-Q13 WeakPolarHBondContact O-CB 3.39Å; Q9-Q13 PolarHBondContact O-N 3.09Å
10Q97.6Very high91.6Very high156 Ų15671 Ų7173%0.72935%0.351SS*.Hα-helixtrans-67.4-43.1178.2-173.8178.3-100111D8 Q13 A14D8-Q10 VanDerWaalsContact C-N 3.25Å; D8-Q10 PolarHBondContact O-N 2.92Å; D8-Q10 PolarHBondContact OD1-N 3.47Å; Q10-Q13 PolarHBondContact O-N 3.01Å; Q10-A14 WeakPolarHBondContact O-CB 3.32Å; Q10-A14 PolarHBondContact O-N 3.23Å
11K98Very high91.9Very high57 Ų5769.4 Ų69.425%0.24834%0.341CS..Hα-helixtrans-65.5-43.7175.4-178.168.6-177-154.20111.5P7 D8 Q13 A14 L15 F53 I284P7-K11 HydrophobicContact CB-CB 3.99Å; P7-K11 HydrophobicContact CB-CG 3.79Å; D8-K11 PolarHBondContact O-N 2.81Å; D8-K11 WeakPolarHBondContact OD1-CB 3.41Å; D8-K11 PolarHBondContact OD1-N 3.43Å; K11-Q13 VanDerWaalsContact C-N 3.32Å; K11-Q13 PolarHBondContact O-N 2.97Å; K11-A14 PolarHBondContact O-N 3.34Å; K11-L15 HydrophobicContact CG-CD1 4.35Å; K11-L15 WeakPolarHBondContact O-CG 3.41Å; K11-L15 PolarHBondContact O-N 3.26Å; K11-F53 WeakPolarHBondContact CE-O 3.28Å; K11-F53 PolarHBondContact NZ-O 3.43Å; K11-I284 HydrophobicContact CD-CD1 4.38Å
12L98.5Very high94.3Very high4 Ų459.5 Ų59.52%0.02129%0.292CS..Hα-helixtrans-59.7-43.8175.6-68.8174.9000111.2P7 D8 Q9 L15 K16 V221 E222P7-L12 HydrophobicContact CB-CD2 3.98Å; P7-L12 HydrophobicContact CB-CG 4.12Å; P7-L12 HydrophobicContact CG-CD2 3.58Å; P7-L12 HydrophobicContact CG-CG 4.1Å; D8-L12 VanDerWaalsContact O-CG 3.32Å; D8-L12 WeakPolarHBondContact O-CG 3.45Å; D8-L12 PolarHBondContact O-N 2.89Å; Q9-L12 PolarHBondContact O-N 3.34Å; L12-L15 PolarHBondContact O-N 3.27Å; L12-K16 WeakPolarHBondContact O-CG 3.46Å; L12-K16 PolarHBondContact O-N 3.39Å; L12-K16 VanDerWaalsContact O-N 3.09Å; L12-V221 HydrophobicContact CB-CG2 4.29Å; L12-V221 HydrophobicContact CD2-CG2 4.02Å; L12-E222 HydrophobicContact CD1-CB 4.1Å; L12-E222 HydrophobicContact CD1-CG 4.12Å; L12-E222 HydrophobicContact CD2-CB 3.87Å; L12-E222 HydrophobicContact CD2-CG 4.34Å
13Q98.6Very high95.9Very high40 Ų4052.9 Ų52.919%0.18726%0.261CS..Hα-helixtrans-65-42.6176.3-173.957.846.700112.2Q9 Q10 K11 L15 K16 D17 Q279Q9-Q13 WeakPolarHBondContact O-CB 3.39Å; Q9-Q13 PolarHBondContact O-N 3.09Å; Q10-Q13 PolarHBondContact O-N 3.01Å; K11-Q13 VanDerWaalsContact C-N 3.32Å; K11-Q13 PolarHBondContact O-N 2.97Å; Q13-L15 PolarHBondContact O-N 3.4Å; Q13-K16 WeakPolarHBondContact O-CB 3.41Å; Q13-K16 PolarHBondContact O-N 2.92Å; Q13-K16 VanDerWaalsContact O-N 3.13Å; Q13-D17 PolarHBondContact NE2-OD1 2.81Å; Q13-D17 PolarHBondContact O-N 3.17Å; Q13-Q279 VanDerWaalsContact CD-NE2 3.31Å; Q13-Q279 HydrophobicContact CG-CB 4.18Å; Q13-Q279 HydrophobicContact CG-CG 4.12Å
14A98.6Very high97.1Very high23 Ų2350.9 Ų50.919%0.1924%0.237CC..Hα-helixtrans-61.2-34175.900000112.4Q10 K11 D17 T18 I284Q10-A14 WeakPolarHBondContact O-CB 3.32Å; Q10-A14 PolarHBondContact O-N 3.23Å; K11-A14 PolarHBondContact O-N 3.34Å; A14-D17 PolarHBondContact O-N 2.87Å; A14-T18 PolarHBondContact O-N 3.23Å; A14-T18 PolarHBondContact O-OG1 3.31Å; A14-I284 HydrophobicContact CB-CD1 3.79Å; A14-I284 HydrophobicContact CB-CG1 4.01Å
15L98.7Very high97.7Very high0 Ų047.1 Ų47.10%022%0.224CC..Hα-helixtrans-68.5-39.4173.9-72.1166000112.3K11 L12 Q13 T18 A19 A49 V50 F53 H54 V221 I284K11-L15 HydrophobicContact CG-CD1 4.35Å; K11-L15 WeakPolarHBondContact O-CG 3.41Å; K11-L15 PolarHBondContact O-N 3.26Å; L12-L15 PolarHBondContact O-N 3.27Å; Q13-L15 PolarHBondContact O-N 3.4Å; L15-T18 PolarHBondContact O-N 3.15Å; L15-A19 PolarHBondContact O-N 3.35Å; L15-A49 WeakPolarHBondContact CD2-O 3.4Å; L15-V50 HydrophobicContact CD1-CG2 4.35Å; L15-F53 HydrophobicContact CD2-CB 3.99Å; L15-H54 HydrophobicContact CD1-CB 4.31Å; L15-H54 HydrophobicContact CD2-CB 4.37Å; L15-V221 HydrophobicContact CB-CB 4.27Å; L15-V221 HydrophobicContact CB-CG1 4.1Å; L15-I284 HydrophobicContact CD2-CD1 3.79Å; L15-I284 HydrophobicContact CG-CD1 3.98Å
16K98.8Very high98.2Very high88 Ų8841.1 Ų41.138%0.38320%0.196SC..Hα-helixtrans-62.6-44.3171.9-66.2172.9-175.4174.40111.2L12 Q13 T18 A19 N20 V221L12-K16 WeakPolarHBondContact O-CG 3.46Å; L12-K16 PolarHBondContact O-N 3.39Å; L12-K16 VanDerWaalsContact O-N 3.09Å; Q13-K16 WeakPolarHBondContact O-CB 3.41Å; Q13-K16 PolarHBondContact O-N 2.92Å; Q13-K16 VanDerWaalsContact O-N 3.13Å; K16-T18 VanDerWaalsContact C-N 3.32Å; K16-T18 PolarHBondContact O-N 3.45Å; K16-A19 PolarHBondContact O-N 2.9Å; K16-N20 PolarHBondContact O-N 3.14Å; K16-V221 HydrophobicContact CD-CG2 4.4Å; K16-V221 HydrophobicContact CG-CG1 4.14Å; K16-V221 HydrophobicContact CG-CG2 3.79Å
17D98.8Very high98.4Very high3 Ų333.3 Ų33.32%0.01616%0.163CC..Hα-helixtrans-59.8-43.2176.2-70.8-3.8000111Q13 A14 N20 R21 I278 Q279 S280Q13-D17 PolarHBondContact NE2-OD1 2.81Å; Q13-D17 PolarHBondContact O-N 3.17Å; A14-D17 PolarHBondContact O-N 2.87Å; D17-N20 PolarHBondContact O-N 3.35Å; D17-R21 WeakPolarHBondContact O-CG 3.48Å; D17-R21 PolarHBondContact O-N 3.45Å; D17-I278 HydrophobicContact CB-CG2 4.08Å; D17-Q279 PolarHBondContact OD1-N 2.99Å; D17-Q279 PolarHBondContact OD2-N 3.28Å; D17-S280 PolarHBondContact OD2-N 3.3Å
18T98.9Very high98.5Very high0 Ų036.4 Ų36.40%018%0.176CC..Hα-helixtrans-60.6-50.8172.6-68.30000111.3A14 L15 K16 N20 R21 L22 A49 F53 E88A14-T18 PolarHBondContact O-N 3.23Å; A14-T18 PolarHBondContact O-OG1 3.31Å; L15-T18 PolarHBondContact O-N 3.15Å; K16-T18 VanDerWaalsContact C-N 3.32Å; K16-T18 PolarHBondContact O-N 3.45Å; T18-N20 PolarHBondContact O-N 2.99Å; T18-R21 WeakPolarHBondContact O-CB 3.25Å; T18-R21 PolarHBondContact O-N 2.96Å; T18-R21 PolarHBondContact OG1-NH2 3.38Å; T18-L22 HydrophobicContact CG2-CD1 4.11Å; T18-L22 HydrophobicContact CG2-CG 4.19Å; T18-L22 VanDerWaalsContact O-CG 3.3Å; T18-L22 WeakPolarHBondContact O-CG 3.23Å; T18-L22 PolarHBondContact O-N 3.14Å; T18-A49 HydrophobicContact CG2-CB 3.81Å; T18-F53 HydrophobicContact CG2-CD2 3.64Å; T18-F53 HydrophobicContact CG2-CE2 3.75Å; T18-F53 HydrophobicContact CG2-CG 4.48Å; T18-E88 HydrophobicContact CG2-CG 4.12Å; T18-E88 PolarHBondContact OG1-OE1 2.9Å
19A98.9Very high98.6Very high0 Ų032 Ų320%015%0.152CC..Hα-helixtrans-54.1-41.9178.300000111.8L15 K16 L22 R23 A45 E46 A49L15-A19 PolarHBondContact O-N 3.35Å; K16-A19 PolarHBondContact O-N 2.9Å; A19-L22 WeakPolarHBondContact O-CB 3.19Å; A19-L22 PolarHBondContact O-N 2.8Å; A19-R23 WeakPolarHBondContact O-CG 3.46Å; A19-R23 PolarHBondContact O-N 3.29Å; A19-A45 HydrophobicContact CB-CB 4.06Å; A19-E46 HydrophobicContact CB-CG 4.02Å; A19-A49 HydrophobicContact CB-CB 4.02Å
20N98.9Very high98.7Very high13 Ų1325.7 Ų25.77%0.0712%0.123CC..Hα-helixtrans-67.3-38.7175.9-76.6-17.2000113.3K16 D17 T18 L22 R23 I24 I274 I278K16-N20 PolarHBondContact O-N 3.14Å; D17-N20 PolarHBondContact O-N 3.35Å; T18-N20 PolarHBondContact O-N 2.99Å; N20-L22 VanDerWaalsContact C-N 3.32Å; N20-L22 PolarHBondContact O-N 2.88Å; N20-R23 WeakPolarHBondContact O-CB 3.42Å; N20-R23 PolarHBondContact O-N 2.99Å; N20-R23 PolarHBondContact OD1-NH1 2.86Å; N20-I24 WeakPolarHBondContact O-CG1 3.27Å; N20-I24 PolarHBondContact O-N 3.49Å; N20-I274 HydrophobicContact CB-CG2 3.67Å; N20-I278 HydrophobicContact CB-CD1 4.18Å; N20-I278 HydrophobicContact CB-CG1 3.84Å
21R98.9Very high98.8Very high39 Ų3919.3 Ų19.315%0.14710%0.095CC..Hα-helixtrans-61.2-40.4170.7-73-170.4-68.9-843.5112.2D17 T18 I24 S25 E88 I278 S280D17-R21 WeakPolarHBondContact O-CG 3.48Å; D17-R21 PolarHBondContact O-N 3.45Å; T18-R21 WeakPolarHBondContact O-CB 3.25Å; T18-R21 PolarHBondContact O-N 2.96Å; T18-R21 PolarHBondContact OG1-NH2 3.38Å; R21-I24 PolarHBondContact O-N 2.87Å; R21-S25 WeakPolarHBondContact O-CB 3.19Å; R21-S25 PolarHBondContact O-N 3.13Å; R21-E88 IonicContact CZ-OE1 2.72Å; R21-E88 IonicContact NE-OE1 2.73Å; R21-E88 PolarHBondContact NE-OE1 2.87Å; R21-E88 IonicContact NE-OE2 3.74Å; R21-E88 IonicContact NH2-OE1 3.96Å; R21-E88 PolarHBondContact NH2-OE1 3.47Å; R21-I278 HydrophobicContact CG-CD1 3.78Å; R21-S280 PolarHBondContact NH1-O 2.64Å
22L98.9Very high98.8Very high2 Ų219.2 Ų19.21%0.0110%0.104CC..Hα-helixtrans-64-39.7176.9-63.6178.6000112T18 A19 N20 S26 M48 A49 I81 A84 V85T18-L22 HydrophobicContact CG2-CD1 4.11Å; T18-L22 HydrophobicContact CG2-CG 4.19Å; T18-L22 VanDerWaalsContact O-CG 3.3Å; T18-L22 WeakPolarHBondContact O-CG 3.23Å; T18-L22 PolarHBondContact O-N 3.14Å; A19-L22 WeakPolarHBondContact O-CB 3.19Å; A19-L22 PolarHBondContact O-N 2.8Å; N20-L22 VanDerWaalsContact C-N 3.32Å; N20-L22 PolarHBondContact O-N 2.88Å; L22-S26 WeakPolarHBondContact O-CB 3.49Å; L22-S26 PolarHBondContact O-N 2.95Å; L22-S26 PolarHBondContact O-OG 3.03Å; L22-M48 HydrophobicContact CD1-CB 3.98Å; L22-A49 HydrophobicContact CD1-CB 4.24Å; L22-I81 HydrophobicContact CB-CD1 3.91Å; L22-I81 HydrophobicContact CB-CG1 3.84Å; L22-I81 HydrophobicContact CD1-CG1 4.38Å; L22-A84 HydrophobicContact CD2-CB 3.61Å; L22-V85 HydrophobicContact CD1-CG1 3.56Å; L22-V85 HydrophobicContact CD2-CB 4.36Å; L22-V85 HydrophobicContact CD2-CG1 3.59Å; L22-V85 HydrophobicContact CG-CG1 4.23Å
23R98.9Very high98.8Very high4 Ų420.5 Ų20.52%0.01512%0.115CC..Hα-helixtrans-59.7-51.9171.4-70.1-177.8174.189.214.3111.5A19 N20 S25 S26 I27 C42 A45 E46 R246 I274A19-R23 WeakPolarHBondContact O-CG 3.46Å; A19-R23 PolarHBondContact O-N 3.29Å; N20-R23 WeakPolarHBondContact O-CB 3.42Å; N20-R23 PolarHBondContact O-N 2.99Å; N20-R23 PolarHBondContact OD1-NH1 2.86Å; R23-S25 VanDerWaalsContact C-N 3.35Å; R23-S25 PolarHBondContact O-N 3.12Å; R23-S26 PolarHBondContact O-N 3.15Å; R23-I27 WeakPolarHBondContact O-CG1 3.45Å; R23-I27 PolarHBondContact O-N 3.39Å; R23-C42 HydrophobicContact CG-CB 4.46Å; R23-C42 PolarHBondContact NH2-O 3.09Å; R23-A45 HydrophobicContact CG-CB 3.75Å; R23-E46 IonicContact CZ-OE1 2.9Å; R23-E46 IonicContact CZ-OE2 2.74Å; R23-E46 IonicContact NH1-OE1 2.58Å; R23-E46 PolarHBondContact NH1-OE1 2.54Å; R23-E46 IonicContact NH1-OE2 3.3Å; R23-E46 IonicContact NH2-OE1 3.9Å; R23-E46 PolarHBondContact NH2-OE1 3.24Å; R23-E46 IonicContact NH2-OE2 3.7Å; R23-E46 PolarHBondContact NH2-OE2 3.29Å; R23-R246 WeakPolarHBondContact CD-O 3.35Å; R23-R246 PolarHBondContact NE-O 3.44Å; R23-R246 VanDerWaalsContact NH2-CG 3.31Å; R23-I274 HydrophobicContact CB-CD1 4.17Å; R23-I274 HydrophobicContact CB-CG2 4.44Å
24I98.9Very high98.8Very high14 Ų1421.2 Ų21.27%0.07213%0.134CC..Hα-helixtrans-55.9-50.9-179.7-71.2167.2000110.2N20 R21 S26 I27 Q28 I271 I274 Y275 I278N20-I24 WeakPolarHBondContact O-CG1 3.27Å; N20-I24 PolarHBondContact O-N 3.49Å; R21-I24 PolarHBondContact O-N 2.87Å; I24-S26 VanDerWaalsContact C-N 3.35Å; I24-S26 PolarHBondContact O-N 3.17Å; I24-I27 PolarHBondContact O-N 3.4Å; I24-Q28 HydrophobicContact CG2-CG 4.22Å; I24-Q28 WeakPolarHBondContact O-CB 3.44Å; I24-Q28 VanDerWaalsContact O-CG 3.29Å; I24-Q28 WeakPolarHBondContact O-CG 3.41Å; I24-Q28 PolarHBondContact O-N 2.83Å; I24-I271 HydrophobicContact CG1-CG2 4.27Å; I24-I271 HydrophobicContact CG2-CG1 4.3Å; I24-I271 HydrophobicContact CG2-CG2 3.84Å; I24-I274 HydrophobicContact CD1-CB 4.33Å; I24-I274 HydrophobicContact CD1-CG2 3.93Å; I24-I274 HydrophobicContact CG1-CB 4.06Å; I24-I274 HydrophobicContact CG1-CG2 3.74Å; I24-Y275 HydrophobicContact CD1-CD2 4.1Å; I24-I278 HydrophobicContact CD1-CD1 3.89Å
25S98.9Very high98.8Very high14 Ų1422.1 Ų22.110%0.09814%0.139CC..Hα-helixtrans-59.9-43.8-180177.10000112.2R21 R23 I27 Q28 A29 L97R21-S25 WeakPolarHBondContact O-CB 3.19Å; R21-S25 PolarHBondContact O-N 3.13Å; R23-S25 VanDerWaalsContact C-N 3.35Å; R23-S25 PolarHBondContact O-N 3.12Å; S25-I27 VanDerWaalsContact C-N 3.34Å; S25-I27 PolarHBondContact O-N 3.17Å; S25-Q28 PolarHBondContact O-N 3.15Å; S25-A29 VanDerWaalsContact O-CB 3.27Å; S25-A29 WeakPolarHBondContact O-CB 3.09Å; S25-A29 PolarHBondContact O-N 3.42Å; S25-L97 VanDerWaalsContact OG-CD1 3.24Å; S25-L97 WeakPolarHBondContact OG-CD1 3.49Å
26S98.9Very high98.8Very high0 Ų022.2 Ų22.20%014%0.14CC..Hα-helixtrans-62.4-41.2178.3-58.20000112.1L22 R23 I24 T30L22-S26 WeakPolarHBondContact O-CB 3.49Å; L22-S26 PolarHBondContact O-N 2.95Å; L22-S26 PolarHBondContact O-OG 3.03Å; R23-S26 PolarHBondContact O-N 3.15Å; I24-S26 VanDerWaalsContact C-N 3.35Å; I24-S26 PolarHBondContact O-N 3.17Å; S26-T30 WeakPolarHBondContact O-CB 3.35Å; S26-T30 VanDerWaalsContact O-CG2 3.28Å; S26-T30 WeakPolarHBondContact O-CG2 3.25Å; S26-T30 PolarHBondContact O-N 3.35Å; S26-T30 VanDerWaalsContact O-N 3.15Å; S26-T30 PolarHBondContact O-OG1 3.48Å
27I98.9Very high98.8Very high0 Ų019.2 Ų19.20%013%0.127CC..Hα-helixtrans-65-51.2175.3-66.6164.7000110R23 I24 S25 A29 T30 T31 P38 I248 L262 A267 I270 I271 I274R23-I27 WeakPolarHBondContact O-CG1 3.45Å; R23-I27 PolarHBondContact O-N 3.39Å; I24-I27 PolarHBondContact O-N 3.4Å; S25-I27 VanDerWaalsContact C-N 3.34Å; S25-I27 PolarHBondContact O-N 3.17Å; I27-A29 PolarHBondContact O-N 3.05Å; I27-T30 PolarHBondContact O-N 3.21Å; I27-T30 PolarHBondContact O-OG1 2.76Å; I27-T31 VanDerWaalsContact O-CB 3.27Å; I27-T31 WeakPolarHBondContact O-CB 3.43Å; I27-T31 PolarHBondContact O-N 3.49Å; I27-T31 PolarHBondContact O-OG1 3.12Å; I27-T31 VanDerWaalsContact O-OG1 3.12Å; I27-P38 HydrophobicContact CG1-CB 4.22Å; I27-I248 HydrophobicContact CD1-CD1 4.18Å; I27-I248 HydrophobicContact CD1-CG1 4.12Å; I27-I248 HydrophobicContact CG1-CD1 4.41Å; I27-L262 HydrophobicContact CD1-CD1 4.4Å; I27-L262 HydrophobicContact CG1-CD1 4.38Å; I27-L262 HydrophobicContact CG2-CD1 3.89Å; I27-L262 HydrophobicContact CG2-CG 4.44Å; I27-A267 HydrophobicContact CG2-CB 3.85Å; I27-I270 HydrophobicContact CD1-CG2 3.88Å; I27-I271 HydrophobicContact CB-CG1 4.48Å; I27-I271 HydrophobicContact CG2-CD1 4.02Å; I27-I271 HydrophobicContact CG2-CG1 4.08Å; I27-I274 HydrophobicContact CD1-CD1 3.76Å
28Q98.9Very high98.8Very high80 Ų8019.1 Ų19.137%0.37413%0.126SC..Hα-helixtrans-56.9-49.8-179.7-73.2174.5-3100112.2I24 S25 A32 L98 I271I24-Q28 HydrophobicContact CG2-CG 4.22Å; I24-Q28 WeakPolarHBondContact O-CB 3.44Å; I24-Q28 VanDerWaalsContact O-CG 3.29Å; I24-Q28 WeakPolarHBondContact O-CG 3.41Å; I24-Q28 PolarHBondContact O-N 2.83Å; S25-Q28 PolarHBondContact O-N 3.15Å; Q28-A32 VanDerWaalsContact O-CB 3.22Å; Q28-A32 WeakPolarHBondContact O-CB 3.21Å; Q28-A32 PolarHBondContact O-N 2.95Å; Q28-L98 HydrophobicContact CB-CD2 3.89Å; Q28-I271 HydrophobicContact CG-CD1 3.43Å; Q28-I271 VanDerWaalsContact CG-CD1 3.43Å; Q28-I271 HydrophobicContact CG-CG1 4.43Å
29A98.8Very high98.8Very high3 Ų319.2 Ų19.23%0.02513%0.127CC..Hα-helixtrans-62.9-46.4-177.900000111.7S25 I27 A32 A33 L97 L100S25-A29 VanDerWaalsContact O-CB 3.27Å; S25-A29 WeakPolarHBondContact O-CB 3.09Å; S25-A29 PolarHBondContact O-N 3.42Å; I27-A29 PolarHBondContact O-N 3.05Å; A29-A32 PolarHBondContact O-N 2.94Å; A29-A33 WeakPolarHBondContact O-CB 3.28Å; A29-A33 PolarHBondContact O-N 3.37Å; A29-L97 VanDerWaalsContact CB-O 3.22Å; A29-L97 WeakPolarHBondContact CB-O 3.4Å; A29-L100 HydrophobicContact CB-CB 4.05Å; A29-L100 HydrophobicContact CB-CD2 3.78Å
30T98.9Very high98.8Very high0 Ų019.2 Ų19.20%013%0.127CC..Hα-helixtrans-71.6-36.5-17956.30000112.8S26 I27 A33 G34 S35 P80 L100 P261S26-T30 WeakPolarHBondContact O-CB 3.35Å; S26-T30 VanDerWaalsContact O-CG2 3.28Å; S26-T30 WeakPolarHBondContact O-CG2 3.25Å; S26-T30 PolarHBondContact O-N 3.35Å; S26-T30 VanDerWaalsContact O-N 3.15Å; S26-T30 PolarHBondContact O-OG1 3.48Å; I27-T30 PolarHBondContact O-N 3.21Å; I27-T30 PolarHBondContact O-OG1 2.76Å; T30-A33 PolarHBondContact O-N 3.17Å; T30-G34 PolarHBondContact O-N 2.95Å; T30-S35 PolarHBondContact O-N 3.02Å; T30-P80 HydrophobicContact CG2-CB 4.3Å; T30-P80 HydrophobicContact CG2-CG 3.78Å; T30-L100 HydrophobicContact CG2-CD2 3.81Å; T30-P261 WeakPolarHBondContact O-CB 3.44Å
31T98.8Very high98.8Very high22 Ų2218.6 Ų18.614%0.13512%0.124CC..Hα-helixtrans-65.2-42.3171.7-67.80000111.4I27 A33 G34 L262 K264 A267I27-T31 VanDerWaalsContact O-CB 3.27Å; I27-T31 WeakPolarHBondContact O-CB 3.43Å; I27-T31 PolarHBondContact O-N 3.49Å; I27-T31 PolarHBondContact O-OG1 3.12Å; I27-T31 VanDerWaalsContact O-OG1 3.12Å; T31-A33 VanDerWaalsContact C-N 3.34Å; T31-A33 PolarHBondContact O-N 3.3Å; T31-G34 PolarHBondContact O-N 3.25Å; T31-L262 WeakPolarHBondContact CG2-O 3.02Å; T31-L262 PolarHBondContact OG1-O 3.24Å; T31-K264 HydrophobicContact CG2-CG 3.94Å; T31-A267 HydrophobicContact CG2-CB 3.97Å
32A98.6Very high98.8Very high54 Ų5416.7 Ų16.745%0.44612%0.117SC..Hα-helixtrans-63.7-39.1176.400000112.3Q28 A29 G34Q28-A32 VanDerWaalsContact O-CB 3.22Å; Q28-A32 WeakPolarHBondContact O-CB 3.21Å; Q28-A32 PolarHBondContact O-N 2.95Å; A29-A32 PolarHBondContact O-N 2.94Å; A32-G34 VanDerWaalsContact C-N 3.3Å; A32-G34 PolarHBondContact O-N 2.7Å
33A98.6Very high98.8Very high31 Ų3116.6 Ų16.626%0.25612%0.116SC..Hα-helixtrans-74.2-17.5176.400000113.9A29 T30 T31 S35 L100 R101A29-A33 WeakPolarHBondContact O-CB 3.28Å; A29-A33 PolarHBondContact O-N 3.37Å; T30-A33 PolarHBondContact O-N 3.17Å; T31-A33 VanDerWaalsContact C-N 3.34Å; T31-A33 PolarHBondContact O-N 3.3Å; A33-S35 PolarHBondContact O-N 3.47Å; A33-L100 HydrophobicContact CB-CB 4.47Å; A33-L100 HydrophobicContact CB-CD2 4.29Å; A33-L100 HydrophobicContact CB-CG 4.35Å; A33-L100 WeakPolarHBondContact CB-O 3.44Å; A33-R101 HydrophobicContact CB-CB 4.32Å
34G98.5Very high98.8Very high56 Ų5616.4 Ų16.458%0.57712%0.115SC*.THydrogen-bonded Turntrans66.112.4-172.300000114.1T30 T31 A32T30-G34 PolarHBondContact O-N 2.95Å; T31-G34 PolarHBondContact O-N 3.25Å; A32-G34 VanDerWaalsContact C-N 3.3Å; A32-G34 PolarHBondContact O-N 2.7Å
35S98.6Very high98.8Very high41 Ų4115.8 Ų15.829%0.28711%0.112SC..  trans-159.3159.317666.30000111.1T30 A33 R101T30-S35 PolarHBondContact O-N 3.02Å; A33-S35 PolarHBondContact O-N 3.47Å; S35-R101 VanDerWaalsContact OG-CD 3.28Å; S35-R101 WeakPolarHBondContact OG-CD 3.36Å; S35-R101 PolarHBondContact OG-NH1 3.37Å
36G98.3Very high98.8Very high2 Ų215.7 Ų15.72%0.02111%0.11CC..SBendtrans130.6-171.9176.400000113.1P38 G259 K260G36-P38 VanDerWaalsContact C-CD 3.46Å; G36-P38 VanDerWaalsContact O-CD 3.29Å; G36-P38 WeakPolarHBondContact O-CD 3.36Å; G36-G259 CarbonylContact O-C 3.52Å; G36-G259 VanDerWaalsContact O-CA 3.32Å; G36-G259 WeakPolarHBondContact O-CA 3.45Å; G36-K260 PolarHBondContact O-N 3.17Å
37H98.7Very high98.8Very high26 Ų2615.7 Ų15.712%0.1211%0.11CC..  trans-12462.7-164.9-47.586.1000112.4T39 S40 C41 H77 H258 G259H37-T39 VanDerWaalsContact C-N 3.28Å; H37-T39 PolarHBondContact O-N 2.77Å; H37-S40 PolarHBondContact O-N 2.85Å; H37-C41 PolarHBondContact O-N 3.03Å; H37-C41 VanDerWaalsContact O-N 3.15Å; H37-C41 PolarHBondContact O-SG 2.91Å; H37-H77 AromaticContact CD2-CD2 3.98Å; H37-H77 AromaticContact CG-CD2 3.83Å; H37-H77 PolarHBondContact ND1-O 3.47Å; H37-H258 AromaticContact CD2-CE1 3.84Å; H37-H258 AromaticContact CD2-NE2 3.66Å; H37-G259 WeakPolarHBondContact CD2-CA 3.45Å
38P98.7Very high98.8Very high0 Ų015.7 Ų15.70%011%0.11CC..Hα-helixtrans-60.7-37.3-177.225-33.2000112.1I27 G36 S40 C41 C42 K260I27-P38 HydrophobicContact CG1-CB 4.22Å; G36-P38 VanDerWaalsContact C-CD 3.46Å; G36-P38 VanDerWaalsContact O-CD 3.29Å; G36-P38 WeakPolarHBondContact O-CD 3.36Å; P38-S40 PolarHBondContact O-N 2.81Å; P38-C41 VanDerWaalsContact O-CB 3.32Å; P38-C41 WeakPolarHBondContact O-CB 3.34Å; P38-C41 PolarHBondContact O-N 3.17Å; P38-C41 VanDerWaalsContact O-N 3.1Å; P38-C42 PolarHBondContact O-N 3.3Å; P38-C42 PolarHBondContact O-SG 3.34Å; P38-K260 WeakPolarHBondContact CD-O 3.48Å; P38-K260 WeakPolarHBondContact CG-O 3.35Å
39T98.8Very high98.8Very high2 Ų211.9 Ų11.91%0.0129%0.092CC..Hα-helixtrans-65.5-36.9179.754.70000113.5H37 C41 S43 G245 I248 V251 W257H37-T39 VanDerWaalsContact C-N 3.28Å; H37-T39 PolarHBondContact O-N 2.77Å; T39-C41 VanDerWaalsContact C-N 3.33Å; T39-S43 PolarHBondContact O-N 2.99Å; T39-G245 PolarHBondContact O-N 2.61Å; T39-I248 HydrophobicContact CG2-CD1 4.36Å; T39-V251 HydrophobicContact CG2-CG1 3.53Å; T39-W257 HydrophobicContact CG2-CB 3.99Å; T39-W257 PolarHBondContact OG1-O 3.33Å
40S98.8Very high98.8Very high0 Ų011.8 Ų11.80%09%0.091CC..Hα-helixtrans-70.4-26.6172.3-64.90000113.3H37 P38 S43 K75 H77H37-S40 PolarHBondContact O-N 2.85Å; P38-S40 PolarHBondContact O-N 2.81Å; S40-S43 PolarHBondContact O-OG 2.87Å; S40-K75 PolarHBondContact O-NZ 3.31Å; S40-H77 VanDerWaalsContact CB-CD2 3.5Å; S40-H77 WeakPolarHBondContact CB-CD2 3.45Å; S40-H77 WeakPolarHBondContact CB-NE2 3.45Å; S40-H77 PolarHBondContact OG-CD2 3.01Å; S40-H77 VanDerWaalsContact OG-CD2 3.29Å; S40-H77 PolarHBondContact OG-NE2 2.93Å
41C98.9Very high98.8Very high0 Ų011.8 Ų11.80%09%0.091CC..Hα-helixtrans-72.9-46.4173.4-63.80000110.2H37 P38 T39 S43 A44 A45 I81H37-C41 PolarHBondContact O-N 3.03Å; H37-C41 VanDerWaalsContact O-N 3.15Å; H37-C41 PolarHBondContact O-SG 2.91Å; P38-C41 VanDerWaalsContact O-CB 3.32Å; P38-C41 WeakPolarHBondContact O-CB 3.34Å; P38-C41 PolarHBondContact O-N 3.17Å; P38-C41 VanDerWaalsContact O-N 3.1Å; T39-C41 VanDerWaalsContact C-N 3.33Å; C41-S43 PolarHBondContact O-N 2.87Å; C41-A44 PolarHBondContact O-N 3.02Å; C41-A45 PolarHBondContact O-N 2.92Å; C41-I81 HydrophobicContact CB-CB 3.92Å; C41-I81 HydrophobicContact CB-CD1 4.31Å; C41-I81 HydrophobicContact CB-CG2 4.38Å; C41-I81 VanDerWaalsContact O-CD1 3.23Å; C41-I81 WeakPolarHBondContact O-CD1 3.48Å
42C98.9Very high98.8Very high0 Ų010.8 Ų10.80%09%0.085CC..Hα-helixtrans-61.9-33.9-175-73.80000115R23 P38 A44 A45 R246R23-C42 HydrophobicContact CG-CB 4.46Å; R23-C42 PolarHBondContact NH2-O 3.09Å; P38-C42 PolarHBondContact O-N 3.3Å; P38-C42 PolarHBondContact O-SG 3.34Å; C42-A44 PolarHBondContact O-N 3.15Å; C42-A45 PolarHBondContact O-N 2.94Å; C42-R246 WeakPolarHBondContact CB-O 3Å
43S98.9Very high98.8Very high0 Ų08.3 Ų8.30%06%0.064CC..THydrogen-bonded Turntrans-64.6-28.1173.757.20000112.6T39 S40 C41 D183 H219 T242 F243T39-S43 PolarHBondContact O-N 2.99Å; S40-S43 PolarHBondContact O-OG 2.87Å; C41-S43 PolarHBondContact O-N 2.87Å; S43-D183 WeakPolarHBondContact CB-OD1 3.45Å; S43-D183 WeakPolarHBondContact CB-OD2 3.45Å; S43-D183 PolarHBondContact OG-OD1 3.32Å; S43-D183 PolarHBondContact OG-OD2 2.69Å; S43-H219 PolarHBondContact O-CE1 2.73Å; S43-T242 WeakPolarHBondContact O-CG2 3.32Å; S43-F243 WeakPolarHBondContact CB-O 3.32Å
44A98.9Very high98.8Very high0 Ų08.1 Ų8.10%06%0.058CC..THydrogen-bonded Turntrans-95.62.7-176.100000114.1C41 C42 E46 I47 M48 L152C41-A44 PolarHBondContact O-N 3.02Å; C42-A44 PolarHBondContact O-N 3.15Å; A44-E46 PolarHBondContact O-N 3.41Å; A44-I47 WeakPolarHBondContact O-CB 3.32Å; A44-I47 PolarHBondContact O-N 2.96Å; A44-M48 HydrophobicContact CB-CG 4.27Å; A44-M48 WeakPolarHBondContact O-CB 3.42Å; A44-M48 VanDerWaalsContact O-CG 3.24Å; A44-M48 WeakPolarHBondContact O-CG 3.08Å; A44-M48 PolarHBondContact O-N 2.99Å; A44-L152 HydrophobicContact CB-CD2 3.9Å
45A98.9Very high98.8Very high0 Ų06.4 Ų6.40%04%0.036CC..Hα-helixtrans-63.7-44.6-167.100000114A19 R23 C41 C42 A49 I81A19-A45 HydrophobicContact CB-CB 4.06Å; R23-A45 HydrophobicContact CG-CB 3.75Å; C41-A45 PolarHBondContact O-N 2.92Å; C42-A45 PolarHBondContact O-N 2.94Å; A45-A49 WeakPolarHBondContact O-CB 3.4Å; A45-A49 PolarHBondContact O-N 3.35Å; A45-I81 HydrophobicContact CB-CD1 3.95Å
46E98.9Very high98.8Very high13 Ų134.7 Ų4.76%0.0612%0.024CC..Hα-helixtrans-67.7-40.4175-71.674.4-15500112A19 R23 A44 M48 A49 V50 H219 V221 L224A19-E46 HydrophobicContact CB-CG 4.02Å; R23-E46 IonicContact CZ-OE1 2.9Å; R23-E46 IonicContact CZ-OE2 2.74Å; R23-E46 IonicContact NH1-OE1 2.58Å; R23-E46 PolarHBondContact NH1-OE1 2.54Å; R23-E46 IonicContact NH1-OE2 3.3Å; R23-E46 IonicContact NH2-OE1 3.9Å; R23-E46 PolarHBondContact NH2-OE1 3.24Å; R23-E46 IonicContact NH2-OE2 3.7Å; R23-E46 PolarHBondContact NH2-OE2 3.29Å; A44-E46 PolarHBondContact O-N 3.41Å; E46-M48 VanDerWaalsContact C-N 3.33Å; E46-M48 PolarHBondContact O-N 3.05Å; E46-A49 PolarHBondContact O-N 2.85Å; E46-V50 WeakPolarHBondContact O-CB 3.48Å; E46-V50 VanDerWaalsContact O-CG2 3.26Å; E46-V50 WeakPolarHBondContact O-CG2 3.47Å; E46-V50 PolarHBondContact O-N 3.05Å; E46-H219 IonicContact OE2-CE1 2.95Å; E46-H219 IonicContact OE2-CG 2.85Å; E46-H219 IonicContact OE2-ND1 3.81Å; E46-H219 PolarHBondContact OE2-ND1 2.63Å; E46-V221 HydrophobicContact CB-CG1 3.97Å; E46-V221 HydrophobicContact CG-CG1 3.71Å; E46-L224 HydrophobicContact CB-CD1 3.77Å
47I98.9Very high98.8Very high0 Ų07.1 Ų7.10%03%0.032CC..Hα-helixtrans-55.1-51.5175.7-65.7167.1000109.8A44 V50 L51 L152 I181 L224 A240 T242A44-I47 WeakPolarHBondContact O-CB 3.32Å; A44-I47 PolarHBondContact O-N 2.96Å; I47-V50 PolarHBondContact O-N 3.41Å; I47-L51 HydrophobicContact CG2-CD1 3.9Å; I47-L51 HydrophobicContact CG2-CG 4.5Å; I47-L51 WeakPolarHBondContact O-CB 3.37Å; I47-L51 VanDerWaalsContact O-CG 3.3Å; I47-L51 WeakPolarHBondContact O-CG 3.49Å; I47-L51 PolarHBondContact O-N 3.38Å; I47-L152 HydrophobicContact CD1-CD1 4.44Å; I47-L152 HydrophobicContact CG2-CD1 4.17Å; I47-I181 HydrophobicContact CD1-CG2 3.92Å; I47-I181 HydrophobicContact CG1-CG2 4.35Å; I47-I181 HydrophobicContact CG2-CG2 3.83Å; I47-L224 HydrophobicContact CG1-CD1 4.1Å; I47-L224 HydrophobicContact CG1-CD2 4.04Å; I47-A240 HydrophobicContact CD1-CB 3.9Å; I47-T242 HydrophobicContact CD1-CG2 4.35Å
48M98.9Very high98.8Very high0 Ų06.2 Ų6.20%03%0.028CC..Hα-helixtrans-63.6-44.2179.6-67.5-62.6-68.600111.8L22 A44 E46 V50 L51 F52 F71 I81 L82 V85 L152L22-M48 HydrophobicContact CD1-CB 3.98Å; A44-M48 HydrophobicContact CB-CG 4.27Å; A44-M48 WeakPolarHBondContact O-CB 3.42Å; A44-M48 VanDerWaalsContact O-CG 3.24Å; A44-M48 WeakPolarHBondContact O-CG 3.08Å; A44-M48 PolarHBondContact O-N 2.99Å; E46-M48 VanDerWaalsContact C-N 3.33Å; E46-M48 PolarHBondContact O-N 3.05Å; M48-V50 PolarHBondContact O-N 2.91Å; M48-L51 PolarHBondContact O-N 3.19Å; M48-F52 HydrophobicContact CE-CD2 4.1Å; M48-F52 HydrophobicContact CE-CE2 3.52Å; M48-F52 HydrophobicContact CE-CZ 4.22Å; M48-F52 WeakPolarHBondContact O-CD2 3.37Å; M48-F52 PolarHBondContact O-N 2.92Å; M48-F52 HydrophobicContact SD-CE2 4.27Å; M48-F71 HydrophobicContact CE-CE1 3.79Å; M48-F71 HydrophobicContact CE-CZ 3.82Å; M48-F71 HydrophobicContact SD-CE1 4Å; M48-F71 HydrophobicContact SD-CE2 4.09Å; M48-F71 HydrophobicContact SD-CZ 3.38Å; M48-F71 WeakPolarHBondContact SD-CZ 3.48Å; M48-I81 HydrophobicContact CB-CD1 4.49Å; M48-I81 HydrophobicContact CE-CG2 4.32Å; M48-I81 HydrophobicContact CG-CD1 4.25Å; M48-I81 HydrophobicContact CG-CG1 4.31Å; M48-I81 HydrophobicContact CG-CG2 3.95Å; M48-L82 HydrophobicContact CE-CD1 4.41Å; M48-V85 HydrophobicContact CB-CG1 4.02Å; M48-V85 HydrophobicContact CE-CG1 4.01Å; M48-V85 HydrophobicContact CE-CG2 3.76Å; M48-L152 HydrophobicContact SD-CD2 3.91Å
49A98.9Very high98.8Very high0 Ų08.9 Ų8.90%04%0.04CC..Hα-helixtrans-60.8-47178.200000111.9L15 T18 A19 L22 A45 E46 F53L15-A49 WeakPolarHBondContact CD2-O 3.4Å; T18-A49 HydrophobicContact CG2-CB 3.81Å; A19-A49 HydrophobicContact CB-CB 4.02Å; L22-A49 HydrophobicContact CD1-CB 4.24Å; A45-A49 WeakPolarHBondContact O-CB 3.4Å; A45-A49 PolarHBondContact O-N 3.35Å; E46-A49 PolarHBondContact O-N 2.85Å; A49-F53 WeakPolarHBondContact O-CB 3.48Å; A49-F53 WeakPolarHBondContact O-CD2 3.36Å; A49-F53 PolarHBondContact O-N 3.23Å
50V98.9Very high98.8Very high0 Ų010.2 Ų10.20%05%0.049CC..Hα-helixtrans-69.4-38.6-179174.20000111.8L15 E46 I47 M48 H54 T55 V221 L224 C225 F228L15-V50 HydrophobicContact CD1-CG2 4.35Å; E46-V50 WeakPolarHBondContact O-CB 3.48Å; E46-V50 VanDerWaalsContact O-CG2 3.26Å; E46-V50 WeakPolarHBondContact O-CG2 3.47Å; E46-V50 PolarHBondContact O-N 3.05Å; I47-V50 PolarHBondContact O-N 3.41Å; M48-V50 PolarHBondContact O-N 2.91Å; V50-H54 WeakPolarHBondContact O-CB 3.22Å; V50-H54 PolarHBondContact O-N 2.72Å; V50-T55 PolarHBondContact O-N 2.8Å; V50-T55 PolarHBondContact O-OG1 3.1Å; V50-V221 HydrophobicContact CG2-CB 3.92Å; V50-V221 HydrophobicContact CG2-CG1 3.97Å; V50-L224 HydrophobicContact CB-CB 4.17Å; V50-L224 HydrophobicContact CG1-CB 3.93Å; V50-L224 HydrophobicContact CG2-CB 4.01Å; V50-L224 HydrophobicContact CG2-CD1 4.19Å; V50-C225 HydrophobicContact CG1-CB 4.45Å; V50-F228 HydrophobicContact CG1-CD2 3.76Å; V50-F228 HydrophobicContact CG1-CE2 4.09Å
51L98.8Very high98.8Very high0 Ų016.1 Ų16.10%08%0.077CC..Iπ-helixtrans-62.6-56.9176.2-76.7175.1000110.8I47 M48 T55 M56 F71 Y150 I181 F228I47-L51 HydrophobicContact CG2-CD1 3.9Å; I47-L51 HydrophobicContact CG2-CG 4.5Å; I47-L51 WeakPolarHBondContact O-CB 3.37Å; I47-L51 VanDerWaalsContact O-CG 3.3Å; I47-L51 WeakPolarHBondContact O-CG 3.49Å; I47-L51 PolarHBondContact O-N 3.38Å; M48-L51 PolarHBondContact O-N 3.19Å; L51-T55 HydrophobicContact CD2-CG2 4.34Å; L51-T55 PolarHBondContact O-N 2.89Å; L51-M56 HydrophobicContact CB-CE 4.32Å; L51-M56 HydrophobicContact CB-CG 4.4Å; L51-M56 WeakPolarHBondContact O-CB 3.19Å; L51-M56 WeakPolarHBondContact O-CG 3.44Å; L51-M56 PolarHBondContact O-N 2.72Å; L51-F71 HydrophobicContact CD1-CD2 4.13Å; L51-F71 HydrophobicContact CD1-CE2 3.72Å; L51-Y150 HydrophobicContact CD2-CD1 3.55Å; L51-Y150 HydrophobicContact CD2-CE1 3.99Å; L51-Y150 HydrophobicContact CD2-CG 3.98Å; L51-I181 HydrophobicContact CD1-CD1 4.12Å; L51-F228 HydrophobicContact CD2-CD1 4.21Å; L51-F228 HydrophobicContact CD2-CD2 4.1Å; L51-F228 HydrophobicContact CD2-CE1 3.96Å; L51-F228 HydrophobicContact CD2-CE2 3.84Å; L51-F228 HydrophobicContact CD2-CG 4.3Å; L51-F228 HydrophobicContact CD2-CZ 3.78Å; L51-F228 HydrophobicContact CG-CE2 4.01Å; L51-F228 HydrophobicContact CG-CZ 4.07Å
52F98.9Very high98.8Very high2 Ų219.3 Ų19.31%0.0099%0.093CC..Iπ-helixtrans-76-29.8-171.2-78.4-102.1000113.7M48 M56 Y58 F71 L82 V85 W86M48-F52 HydrophobicContact CE-CD2 4.1Å; M48-F52 HydrophobicContact CE-CE2 3.52Å; M48-F52 HydrophobicContact CE-CZ 4.22Å; M48-F52 WeakPolarHBondContact O-CD2 3.37Å; M48-F52 PolarHBondContact O-N 2.92Å; M48-F52 HydrophobicContact SD-CE2 4.27Å; F52-M56 HydrophobicContact CB-CE 4.22Å; F52-M56 HydrophobicContact CD1-CE 3.53Å; F52-M56 HydrophobicContact CD2-CE 3.42Å; F52-M56 VanDerWaalsContact CD2-CE 3.42Å; F52-M56 HydrophobicContact CE1-CE 3.6Å; F52-M56 HydrophobicContact CE2-CE 3.48Å; F52-M56 VanDerWaalsContact CE2-CE 3.48Å; F52-M56 HydrophobicContact CG-CE 3.44Å; F52-M56 VanDerWaalsContact CG-CE 3.44Å; F52-M56 HydrophobicContact CZ-CE 3.57Å; F52-Y58 HydrophobicContact CB-CE1 4.48Å; F52-Y58 HydrophobicContact CD1-CE1 4.1Å; F52-Y58 AromaticContact CD1-CZ 3.83Å; F52-Y58 VanDerWaalsContact O-CE1 3.31Å; F52-Y58 WeakPolarHBondContact O-CE1 3.48Å; F52-Y58 PolarHBondContact O-OH 3.32Å; F52-F71 HydrophobicContact CE2-CB 4.46Å; F52-F71 AromaticContact CE2-CD1 3.82Å; F52-F71 HydrophobicContact CE2-CD1 3.82Å; F52-F71 HydrophobicContact CE2-CD2 4.02Å; F52-F71 HydrophobicContact CE2-CE1 4.01Å; F52-F71 HydrophobicContact CE2-CE2 4.23Å; F52-F71 AromaticContact CE2-CG 3.81Å; F52-F71 HydrophobicContact CE2-CG 3.81Å; F52-F71 HydrophobicContact CE2-CZ 4.22Å; F52-F71 HydrophobicContact CZ-CB 4.05Å; F52-F71 AromaticContact CZ-CD1 3.59Å; F52-F71 HydrophobicContact CZ-CD1 3.59Å; F52-F71 HydrophobicContact CZ-CD2 4.4Å; F52-F71 HydrophobicContact CZ-CE1 4.13Å; F52-F71 AromaticContact CZ-CG 3.74Å; F52-F71 HydrophobicContact CZ-CG 3.74Å; F52-L82 HydrophobicContact CZ-CD1 4.08Å; F52-V85 HydrophobicContact CB-CB 4.41Å; F52-V85 HydrophobicContact CD1-CB 4.06Å; F52-V85 HydrophobicContact CD1-CG2 3.84Å; F52-V85 HydrophobicContact CD2-CB 4.27Å; F52-V85 HydrophobicContact CD2-CG1 4.23Å; F52-V85 HydrophobicContact CD2-CG2 4.04Å; F52-V85 HydrophobicContact CE1-CB 4.41Å; F52-V85 HydrophobicContact CE1-CG2 3.69Å; F52-V85 HydrophobicContact CE2-CG2 3.91Å; F52-V85 HydrophobicContact CG-CB 3.98Å; F52-V85 HydrophobicContact CG-CG1 4.28Å; F52-V85 HydrophobicContact CG-CG2 4.02Å; F52-V85 HydrophobicContact CZ-CG2 3.72Å; F52-W86 AromaticContact CE1-CE2 3.9Å; F52-W86 HydrophobicContact CE1-CZ2 4.05Å; F52-W86 AromaticContact CE1-NE1 3.81Å
53F98.8Very high98.8Very high2 Ų219.6 Ų19.61%0.00910%0.096CC..Iπ-helixtrans-114.312.1-170.7-58.6-75.3000114.4K11 L15 T18 A49 V85 E88 A89 I284K11-F53 WeakPolarHBondContact CE-O 3.28Å; K11-F53 PolarHBondContact NZ-O 3.43Å; L15-F53 HydrophobicContact CD2-CB 3.99Å; T18-F53 HydrophobicContact CG2-CD2 3.64Å; T18-F53 HydrophobicContact CG2-CE2 3.75Å; T18-F53 HydrophobicContact CG2-CG 4.48Å; A49-F53 WeakPolarHBondContact O-CB 3.48Å; A49-F53 WeakPolarHBondContact O-CD2 3.36Å; A49-F53 PolarHBondContact O-N 3.23Å; F53-V85 HydrophobicContact CE2-CB 4.34Å; F53-V85 HydrophobicContact CE2-CG1 4.26Å; F53-E88 HydrophobicContact CE1-CB 4.42Å; F53-E88 HydrophobicContact CE1-CG 3.89Å; F53-E88 HydrophobicContact CE2-CB 4.19Å; F53-E88 HydrophobicContact CE2-CG 3.77Å; F53-E88 HydrophobicContact CZ-CB 3.59Å; F53-E88 HydrophobicContact CZ-CG 3.31Å; F53-A89 HydrophobicContact CE1-CB 4.21Å; F53-A89 HydrophobicContact CZ-CB 4.33Å; F53-I284 HydrophobicContact CB-CB 3.93Å; F53-I284 HydrophobicContact CB-CD1 4.06Å; F53-I284 HydrophobicContact CB-CG2 3.83Å; F53-I284 HydrophobicContact CD1-CB 4.07Å; F53-I284 HydrophobicContact CD1-CG2 4.36Å; F53-I284 VanDerWaalsContact CD1-O 3.29Å; F53-I284 WeakPolarHBondContact CD1-O 3.33Å; F53-I284 HydrophobicContact CG-CB 4.28Å; F53-I284 WeakPolarHBondContact O-CG2 3.5Å
54H98.6Very high98.8Very high27 Ų2724 Ų2413%0.12511%0.112CC..Iπ-helixtrans-149.3-48.3174.1-177.378.8000113.3Y4 H5 L15 V50 R57 C225Y4-H54 AromaticContact CE2-NE2 3.84Å; H5-H54 PolarHBondContact O-CE1 3.06Å; L15-H54 HydrophobicContact CD1-CB 4.31Å; L15-H54 HydrophobicContact CD2-CB 4.37Å; V50-H54 WeakPolarHBondContact O-CB 3.22Å; V50-H54 PolarHBondContact O-N 2.72Å; H54-R57 PolarHBondContact O-NH1 2.97Å; H54-C225 PolarHBondContact CD2-SG 3.43Å
55T98.5Very high98.8Very high19 Ų1924.6 Ų24.612%0.11712%0.116CC..Iπ-helixtrans-83.9-57.3-168.4-52.80000112.6V50 L51 R57 Y150 F228V50-T55 PolarHBondContact O-N 2.8Å; V50-T55 PolarHBondContact O-OG1 3.1Å; L51-T55 HydrophobicContact CD2-CG2 4.34Å; L51-T55 PolarHBondContact O-N 2.89Å; T55-R57 PolarHBondContact O-NH1 2.83Å; T55-Y150 HydrophobicContact CG2-CE1 3.96Å; T55-Y150 WeakPolarHBondContact CG2-OH 3.41Å; T55-F228 HydrophobicContact CG2-CB 3.54Å; T55-F228 HydrophobicContact CG2-CG 4.11Å
56M98.6Very high98.8Very high5 Ų526.4 Ų26.43%0.02513%0.127CC..  trans-71.5157.4-172.1-65.4-165.9-56.100111.6L51 F52 Y58 D69 F71 Y150L51-M56 HydrophobicContact CB-CE 4.32Å; L51-M56 HydrophobicContact CB-CG 4.4Å; L51-M56 WeakPolarHBondContact O-CB 3.19Å; L51-M56 WeakPolarHBondContact O-CG 3.44Å; L51-M56 PolarHBondContact O-N 2.72Å; F52-M56 HydrophobicContact CB-CE 4.22Å; F52-M56 HydrophobicContact CD1-CE 3.53Å; F52-M56 HydrophobicContact CD2-CE 3.42Å; F52-M56 VanDerWaalsContact CD2-CE 3.42Å; F52-M56 HydrophobicContact CE1-CE 3.6Å; F52-M56 HydrophobicContact CE2-CE 3.48Å; F52-M56 VanDerWaalsContact CE2-CE 3.48Å; F52-M56 HydrophobicContact CG-CE 3.44Å; F52-M56 VanDerWaalsContact CG-CE 3.44Å; F52-M56 HydrophobicContact CZ-CE 3.57Å; M56-Y58 HydrophobicContact CB-CD1 4.01Å; M56-Y58 HydrophobicContact CB-CE1 4.34Å; M56-Y58 HydrophobicContact CE-CD1 4.45Å; M56-Y58 HydrophobicContact CE-CE1 4.3Å; M56-D69 VanDerWaalsContact CA-OD2 3.29Å; M56-D69 WeakPolarHBondContact CA-OD2 3.35Å; M56-D69 HydrophobicContact CB-CB 4.17Å; M56-D69 HydrophobicContact CG-CB 4.36Å; M56-F71 HydrophobicContact CE-CB 4.2Å; M56-F71 HydrophobicContact SD-CB 3.92Å; M56-F71 HydrophobicContact SD-CD2 4.36Å; M56-Y150 HydrophobicContact CG-CD2 3.72Å; M56-Y150 HydrophobicContact CG-CE2 3.72Å; M56-Y150 HydrophobicContact CG-CG 4.43Å; M56-Y150 HydrophobicContact SD-CD2 3.78Å; M56-Y150 HydrophobicContact SD-CE2 4.38Å; M56-Y150 HydrophobicContact SD-CG 4.36Å
57R98.7Very high98.7Very high53 Ų5327.1 Ų27.120%0.213%0.13CC..  trans-119.6117.1171.5-60-66.5-177.7-89.9-0.4110.1E2 H54 T55 D69 T287 P288 P289E2-R57 IonicContact OE2-NE 2.71Å; E2-R57 IonicContact OE2-NH2 3.03Å; H54-R57 PolarHBondContact O-NH1 2.97Å; T55-R57 PolarHBondContact O-NH1 2.83Å; R57-D69 PolarHBondContact N-OD2 3.41Å; R57-D69 PolarHBondContact O-N 3.36Å; R57-T287 CarbonylContact C-O 3.38Å; R57-T287 VanDerWaalsContact CA-O 3.23Å; R57-T287 WeakPolarHBondContact CA-O 3.45Å; R57-T287 VanDerWaalsContact CD-CG2 3.47Å; R57-P288 WeakPolarHBondContact CD-O 3.37Å; R57-P289 HydrophobicContact CB-CB 4.09Å
58Y98.8Very high98.7Very high7 Ų727.1 Ų27.13%0.02713%0.131CC..  trans-157.9152.7-178.265.1-81.3000111.7F52 M56 S60 N68 W86 A89 A286 T287F52-Y58 HydrophobicContact CB-CE1 4.48Å; F52-Y58 HydrophobicContact CD1-CE1 4.1Å; F52-Y58 AromaticContact CD1-CZ 3.83Å; F52-Y58 VanDerWaalsContact O-CE1 3.31Å; F52-Y58 WeakPolarHBondContact O-CE1 3.48Å; F52-Y58 PolarHBondContact O-OH 3.32Å; M56-Y58 HydrophobicContact CB-CD1 4.01Å; M56-Y58 HydrophobicContact CB-CE1 4.34Å; M56-Y58 HydrophobicContact CE-CD1 4.45Å; M56-Y58 HydrophobicContact CE-CE1 4.3Å; Y58-S60 PolarHBondContact O-N 3.01Å; Y58-N68 VanDerWaalsContact CA-OD1 3.3Å; Y58-N68 WeakPolarHBondContact CA-OD1 3.37Å; Y58-W86 AromaticContact CD2-CH2 3.7Å; Y58-W86 HydrophobicContact CD2-CH2 3.7Å; Y58-W86 AromaticContact CD2-CZ3 3.94Å; Y58-W86 HydrophobicContact CD2-CZ3 3.94Å; Y58-W86 AromaticContact CE2-CH2 3.86Å; Y58-W86 HydrophobicContact CE2-CH2 3.86Å; Y58-W86 AromaticContact CE2-CZ3 3.79Å; Y58-W86 HydrophobicContact CE2-CZ3 3.79Å; Y58-A89 HydrophobicContact CE2-CB 4.37Å; Y58-A286 HydrophobicContact CD2-CB 4.47Å; Y58-A286 HydrophobicContact CE1-CB 4Å; Y58-A286 HydrophobicContact CE2-CB 3.84Å; Y58-T287 PolarHBondContact N-O 3.17Å
59K98.8Very high98.7Very high57 Ų5728 Ų2825%0.24814%0.135CC..  trans-79.3109.8170.2-59.4-168.4-175.2-166.60108.6Q61 D62 N65 N68 P289 E291K59-Q61 PolarHBondContact O-N 2.6Å; K59-D62 HydrophobicContact CB-CB 4.12Å; K59-D62 CarbonylContact O-C 3.56Å; K59-D62 PolarHBondContact O-N 3.1Å; K59-D62 VanDerWaalsContact O-N 3.13Å; K59-N65 HydrophobicContact CD-CB 4.24Å; K59-N65 HydrophobicContact CG-CB 4.49Å; K59-N68 PolarHBondContact N-OD1 3.35Å; K59-P289 HydrophobicContact CG-CG 4.35Å; K59-E291 WeakPolarHBondContact CE-OE1 3.5Å; K59-E291 IonicContact NZ-OE1 3.44Å; K59-E291 PolarHBondContact NZ-OE1 2.81Å; K59-E291 IonicContact NZ-OE2 2.69Å
60S98.4Very high98.7Very high30 Ų3028.1 Ų28.121%0.2114%0.135CC..THydrogen-bonded Turntrans-61.7-29.1-177.258.30000113.5Y58 A89 F91Y58-S60 PolarHBondContact O-N 3.01Å; S60-A89 WeakPolarHBondContact CB-O 3.37Å; S60-F91 WeakPolarHBondContact O-CB 3.41Å; S60-F91 WeakPolarHBondContact O-CD2 3.38Å
61Q98.7Very high98.7Very high124 Ų12429.3 Ų29.358%0.57914%0.141SC*.THydrogen-bonded Turntrans-92.3-6179.6-59.7-57.9-47.400114K59 G90K59-Q61 PolarHBondContact O-N 2.6Å; Q61-G90 PolarHBondContact NE2-O 3.2Å
62D98.7Very high98.8Very high66 Ų6629.6 Ų29.635%0.35314%0.142SC..  trans-136.277.5177178.813.9000109.6K59 R64 N65 N68K59-D62 HydrophobicContact CB-CB 4.12Å; K59-D62 CarbonylContact O-C 3.56Å; K59-D62 PolarHBondContact O-N 3.1Å; K59-D62 VanDerWaalsContact O-N 3.13Å; D62-R64 PolarHBondContact O-N 3.48Å; D62-N65 HydrophobicContact CB-CB 4.27Å; D62-N65 VanDerWaalsContact O-CB 3.27Å; D62-N65 WeakPolarHBondContact O-CB 3.43Å; D62-N65 PolarHBondContact O-N 2.74Å; D62-N65 VanDerWaalsContact O-N 3.15Å; D62-N65 PolarHBondContact OD1-N 2.84Å; D62-N65 VanDerWaalsContact OD2-CB 3.23Å; D62-N65 WeakPolarHBondContact OD2-CB 3.32Å; D62-N65 PolarHBondContact OD2-ND2 2.71Å; D62-N68 PolarHBondContact O-ND2 2.94Å
63P98.8Very high98.8Very high7 Ų729.7 Ų29.75%0.04514%0.143CC..THydrogen-bonded Turntrans-62.6-28.3-175-24.234.6000113.9N65 N68 W86 F91 A116 F117P63-N65 VanDerWaalsContact C-N 3.3Å; P63-N65 PolarHBondContact O-N 2.88Å; P63-N68 PolarHBondContact O-ND2 3.32Å; P63-N68 VanDerWaalsContact O-ND2 3.08Å; P63-W86 HydrophobicContact CB-CH2 3.57Å; P63-W86 HydrophobicContact CB-CZ2 4.12Å; P63-W86 HydrophobicContact CB-CZ3 3.86Å; P63-W86 HydrophobicContact CG-CE3 4.13Å; P63-W86 HydrophobicContact CG-CH2 3.88Å; P63-W86 HydrophobicContact CG-CZ3 3.6Å; P63-F91 HydrophobicContact CG-CD1 4.18Å; P63-F91 HydrophobicContact CG-CD2 3.79Å; P63-F91 HydrophobicContact CG-CE1 4.06Å; P63-F91 HydrophobicContact CG-CE2 3.64Å; P63-F91 HydrophobicContact CG-CG 4.07Å; P63-F91 HydrophobicContact CG-CZ 3.79Å; P63-A116 HydrophobicContact CG-CB 4.34Å; P63-F117 HydrophobicContact CB-CB 3.8Å; P63-F117 HydrophobicContact CG-CB 4.19Å
64R98.8Very high98.8Very high91 Ų9129.6 Ų29.634%0.34314%0.143SC..THydrogen-bonded Turntrans-82.9-2.7179.7-71.1-66.8174.474.62113.8D62 P113 Q115 A116 T118 D119 R379D62-R64 PolarHBondContact O-N 3.48Å; R64-P113 PolarHBondContact NH2-O 2.7Å; R64-Q115 PolarHBondContact NH2-O 3.18Å; R64-Q115 VanDerWaalsContact NH2-O 3.17Å; R64-A116 VanDerWaalsContact CD-O 3.29Å; R64-A116 WeakPolarHBondContact CD-O 3.32Å; R64-A116 VanDerWaalsContact CG-O 3.24Å; R64-A116 WeakPolarHBondContact CG-O 3.35Å; R64-A116 PolarHBondContact NE-O 3.39Å; R64-T118 PolarHBondContact NH2-O 3.27Å; R64-D119 IonicContact NE-OD1 2.8Å; R64-R379 WeakPolarHBondContact O-CD 3.39Å
65N98.8Very high98.8Very high14 Ų1428.4 Ų28.48%0.07514%0.137CC..  trans-50.9130.3-177-167.8-85.3000111.8K59 D62 P63 H67 N68 R379K59-N65 HydrophobicContact CD-CB 4.24Å; K59-N65 HydrophobicContact CG-CB 4.49Å; D62-N65 HydrophobicContact CB-CB 4.27Å; D62-N65 VanDerWaalsContact O-CB 3.27Å; D62-N65 WeakPolarHBondContact O-CB 3.43Å; D62-N65 PolarHBondContact O-N 2.74Å; D62-N65 VanDerWaalsContact O-N 3.15Å; D62-N65 PolarHBondContact OD1-N 2.84Å; D62-N65 VanDerWaalsContact OD2-CB 3.23Å; D62-N65 WeakPolarHBondContact OD2-CB 3.32Å; D62-N65 PolarHBondContact OD2-ND2 2.71Å; P63-N65 VanDerWaalsContact C-N 3.3Å; P63-N65 PolarHBondContact O-N 2.88Å; N65-H67 PolarHBondContact O-N 3.13Å; N65-H67 VanDerWaalsContact OD1-CB 3.26Å; N65-H67 WeakPolarHBondContact OD1-CB 3.48Å; N65-H67 PolarHBondContact OD1-CD2 3.01Å; N65-H67 PolarHBondContact OD1-N 3.03Å; N65-N68 PolarHBondContact O-N 3Å; N65-R379 PolarHBondContact O-NH1 3.21Å
66P98.7Very high98.8Very high38 Ų3827.5 Ų27.525%0.24713%0.131CC..THydrogen-bonded Turntrans-65.2-14.3-174.227.1-36.5000114.1R70 A293P66-R70 PolarHBondContact O-NH1 2.92Å; P66-R70 PolarHBondContact O-NH2 3.29Å; P66-A293 HydrophobicContact CB-CB 4.32Å; P66-A293 WeakPolarHBondContact O-CB 3.41Å
67H98.8Very high98.8Very high27 Ų2728.3 Ų28.313%0.12514%0.135CC..THydrogen-bonded Turntrans-91.3-16.4-179.8-47.2-59.7000113.6N65 P289 E291 A293N65-H67 PolarHBondContact O-N 3.13Å; N65-H67 VanDerWaalsContact OD1-CB 3.26Å; N65-H67 WeakPolarHBondContact OD1-CB 3.48Å; N65-H67 PolarHBondContact OD1-CD2 3.01Å; N65-H67 PolarHBondContact OD1-N 3.03Å; H67-P289 HydrophobicContact CB-CB 4.16Å; H67-P289 HydrophobicContact CB-CG 3.78Å; H67-P289 WeakPolarHBondContact O-CB 3.34Å; H67-E291 HydrophobicContact CB-CG 4.45Å; H67-A293 PolarHBondContact CE1-O 2.86Å; H67-A293 VanDerWaalsContact CE1-O 3.22Å; H67-A293 WeakPolarHBondContact ND1-CB 3.08Å; H67-A293 PolarHBondContact ND1-N 3.01Å
68N98.9Very high98.8Very high1 Ų125.8 Ų25.81%0.00513%0.126CC..SBendtrans-62.9145.8-175.3-69.8-12.9000112.4Y58 K59 D62 P63 N65 R70Y58-N68 VanDerWaalsContact CA-OD1 3.3Å; Y58-N68 WeakPolarHBondContact CA-OD1 3.37Å; K59-N68 PolarHBondContact N-OD1 3.35Å; D62-N68 PolarHBondContact O-ND2 2.94Å; P63-N68 PolarHBondContact O-ND2 3.32Å; P63-N68 VanDerWaalsContact O-ND2 3.08Å; N65-N68 PolarHBondContact O-N 3Å; N68-R70 WeakPolarHBondContact O-CD 3.36Å; N68-R70 PolarHBondContact O-NH1 3.46Å
69D98.9Very high98.8Very high17 Ų1725.5 Ų25.59%0.09112%0.124CC..PPolyproline II helixtrans-54146.4157.6-72.8-19.6000110.3M56 R57 R148 Y150M56-D69 VanDerWaalsContact CA-OD2 3.29Å; M56-D69 WeakPolarHBondContact CA-OD2 3.35Å; M56-D69 HydrophobicContact CB-CB 4.17Å; M56-D69 HydrophobicContact CG-CB 4.36Å; R57-D69 PolarHBondContact N-OD2 3.41Å; R57-D69 PolarHBondContact O-N 3.36Å; D69-R148 CarbonylContact C-O 3.54Å; D69-R148 WeakPolarHBondContact CA-O 3.47Å; D69-R148 PolarHBondContact OD1-N 2.8Å; D69-Y150 HydrophobicContact CB-CE2 4.23Å
70R98.9Very high98.8Very high3 Ų323 Ų231%0.01111%0.114CC..EExtended strand (participates in β ladder)trans-98137.4178.6-82.755.6168.9-172.5-3.7109.6P66 N68 M135 Y147 R148 V149 Y150 R379P66-R70 PolarHBondContact O-NH1 2.92Å; P66-R70 PolarHBondContact O-NH2 3.29Å; N68-R70 WeakPolarHBondContact O-CD 3.36Å; N68-R70 PolarHBondContact O-NH1 3.46Å; R70-M135 HydrophobicContact CB-SD 4Å; R70-M135 HydrophobicContact CG-SD 3.85Å; R70-Y147 VanDerWaalsContact NH1-CD1 3.31Å; R70-Y147 VanDerWaalsContact NH1-CG 3.33Å; R70-R148 PolarHBondContact N-O 3.17Å; R70-V149 HydrophobicContact CB-CB 4.39Å; R70-V149 HydrophobicContact CB-CG1 3.99Å; R70-V149 HydrophobicContact CB-CG2 4.13Å; R70-V149 WeakPolarHBondContact O-CA 3.35Å; R70-Y150 PolarHBondContact O-N 3.15Å; R70-R379 VanDerWaalsContact CZ-NH1 3.27Å; R70-R379 VanDerWaalsContact NE-CZ 3.32Å
71F98.9Very high98.8Very high26 Ų2621.5 Ų21.511%0.11410%0.104CC..EExtended strand (participates in β ladder)trans-122.3124.4171.4179.3-101000109.7M48 L51 F52 M56 L73 L82 Y150 L152M48-F71 HydrophobicContact CE-CE1 3.79Å; M48-F71 HydrophobicContact CE-CZ 3.82Å; M48-F71 HydrophobicContact SD-CE1 4Å; M48-F71 HydrophobicContact SD-CE2 4.09Å; M48-F71 HydrophobicContact SD-CZ 3.38Å; M48-F71 WeakPolarHBondContact SD-CZ 3.48Å; L51-F71 HydrophobicContact CD1-CD2 4.13Å; L51-F71 HydrophobicContact CD1-CE2 3.72Å; F52-F71 HydrophobicContact CE2-CB 4.46Å; F52-F71 AromaticContact CE2-CD1 3.82Å; F52-F71 HydrophobicContact CE2-CD1 3.82Å; F52-F71 HydrophobicContact CE2-CD2 4.02Å; F52-F71 HydrophobicContact CE2-CE1 4.01Å; F52-F71 HydrophobicContact CE2-CE2 4.23Å; F52-F71 AromaticContact CE2-CG 3.81Å; F52-F71 HydrophobicContact CE2-CG 3.81Å; F52-F71 HydrophobicContact CE2-CZ 4.22Å; F52-F71 HydrophobicContact CZ-CB 4.05Å; F52-F71 AromaticContact CZ-CD1 3.59Å; F52-F71 HydrophobicContact CZ-CD1 3.59Å; F52-F71 HydrophobicContact CZ-CD2 4.4Å; F52-F71 HydrophobicContact CZ-CE1 4.13Å; F52-F71 AromaticContact CZ-CG 3.74Å; F52-F71 HydrophobicContact CZ-CG 3.74Å; M56-F71 HydrophobicContact CE-CB 4.2Å; M56-F71 HydrophobicContact SD-CB 3.92Å; M56-F71 HydrophobicContact SD-CD2 4.36Å; F71-L73 HydrophobicContact CE1-CB 3.9Å; F71-L73 HydrophobicContact CE1-CD1 4.37Å; F71-L73 HydrophobicContact CZ-CB 4.44Å; F71-L73 HydrophobicContact CZ-CD1 4.24Å; F71-L82 HydrophobicContact CD1-CD1 3.95Å; F71-L82 HydrophobicContact CE1-CD1 3.96Å; F71-Y150 CarbonylContact C-O 3.56Å; F71-Y150 WeakPolarHBondContact CA-O 3.31Å; F71-L152 HydrophobicContact CE2-CB 4.09Å; F71-L152 HydrophobicContact CZ-CB 3.98Å; F71-L152 HydrophobicContact CZ-CD2 4.31Å
72V98.9Very high98.8Very high5 Ų516 Ų163%0.038%0.078CC..EExtended strand (participates in β ladder)trans-115.3118.3175.9-177.40000109.1S74 V120 T122 A132 M135 Y150 C151 L152V72-S74 PolarHBondContact O-N 2.94Å; V72-V120 HydrophobicContact CG1-CG2 4.09Å; V72-T122 HydrophobicContact CG1-CG2 4.08Å; V72-A132 HydrophobicContact CB-CB 4.41Å; V72-A132 HydrophobicContact CG2-CB 4.09Å; V72-M135 HydrophobicContact CG2-CE 4.09Å; V72-M135 HydrophobicContact CG2-SD 3.8Å; V72-Y150 PolarHBondContact N-O 3.25Å; V72-C151 HydrophobicContact CB-CB 4.44Å; V72-C151 WeakPolarHBondContact O-CA 3.29Å; V72-L152 PolarHBondContact O-N 3.38Å
73L98.9Very high98.8Very high5 Ų513 Ų133%0.0266%0.062CC..EExtended strand (participates in β ladder)trans-87.382.7173.1-175.164.5000109.5F71 K75 G76 A78 L82 P111 T122 L152F71-L73 HydrophobicContact CE1-CB 3.9Å; F71-L73 HydrophobicContact CE1-CD1 4.37Å; F71-L73 HydrophobicContact CZ-CB 4.44Å; F71-L73 HydrophobicContact CZ-CD1 4.24Å; L73-K75 VanDerWaalsContact C-N 3.33Å; L73-K75 HydrophobicContact CD1-CG 4.03Å; L73-K75 PolarHBondContact O-N 3.04Å; L73-G76 WeakPolarHBondContact O-CA 3.43Å; L73-G76 PolarHBondContact O-N 2.84Å; L73-A78 HydrophobicContact CD1-CB 4.38Å; L73-A78 HydrophobicContact CD2-CB 4.22Å; L73-L82 HydrophobicContact CB-CD2 4.42Å; L73-L82 HydrophobicContact CD2-CB 3.96Å; L73-L82 HydrophobicContact CD2-CD2 4.31Å; L73-P111 HydrophobicContact CD2-CG 4.22Å; L73-T122 WeakPolarHBondContact O-CB 3.43Å; L73-T122 PolarHBondContact O-OG1 2.84Å; L73-L152 HydrophobicContact CD1-CB 4.24Å; L73-L152 HydrophobicContact CD1-CD2 3.73Å; L73-L152 HydrophobicContact CD1-CG 4.19Å
74S98.9Very high98.8Very high0 Ų012.8 Ų12.80%06%0.061CC..SBendtrans-61.4-40.9-178.6-158.60000112.2V72 G76 G128 L152 E157V72-S74 PolarHBondContact O-N 2.94Å; S74-G76 PolarHBondContact O-N 2.98Å; S74-G128 VanDerWaalsContact OG-CA 3.24Å; S74-G128 WeakPolarHBondContact OG-CA 3.48Å; S74-G128 PolarHBondContact OG-N 2.97Å; S74-G128 VanDerWaalsContact OG-N 3.08Å; S74-L152 WeakPolarHBondContact CA-O 3.34Å; S74-L152 VanDerWaalsContact CB-O 3.22Å; S74-L152 WeakPolarHBondContact CB-O 3.49Å; S74-L152 PolarHBondContact N-O 2.84Å; S74-E157 WeakPolarHBondContact CB-OE1 3.39Å; S74-E157 PolarHBondContact OG-OE1 3.34Å
75K98.8Very high98.9Very high1 Ų18.5 Ų8.50%0.0045%0.045CC..SBendtrans-74.261.8166.854.2172.3-76.4176.90112S40 L73 H77 A78 L152 E157 D183S40-K75 PolarHBondContact O-NZ 3.31Å; L73-K75 VanDerWaalsContact C-N 3.33Å; L73-K75 HydrophobicContact CD1-CG 4.03Å; L73-K75 PolarHBondContact O-N 3.04Å; K75-H77 PolarHBondContact O-N 2.98Å; K75-A78 PolarHBondContact O-N 3.43Å; K75-L152 HydrophobicContact CD-CD2 4.47Å; K75-L152 HydrophobicContact CD-CG 4.14Å; K75-L152 HydrophobicContact CG-CG 4.16Å; K75-L152 PolarHBondContact N-O 3.04Å; K75-E157 PolarHBondContact N-OE2 3.03Å; K75-D183 HydrophobicContact CD-CB 4.36Å; K75-D183 IonicContact NZ-OD2 3.74Å; K75-D183 PolarHBondContact NZ-OD2 2.92Å
76G98.4Very high98.9Very high0 Ų08.5 Ų8.50%04%0.044CC..G310 helixtrans-55.8-22-167.700000115L73 S74 A78 A79 P111 T122L73-G76 WeakPolarHBondContact O-CA 3.43Å; L73-G76 PolarHBondContact O-N 2.84Å; S74-G76 PolarHBondContact O-N 2.98Å; G76-A78 PolarHBondContact O-N 3.36Å; G76-A78 VanDerWaalsContact O-N 3.12Å; G76-A79 WeakPolarHBondContact O-CB 3.5Å; G76-A79 PolarHBondContact O-N 2.85Å; G76-P111 WeakPolarHBondContact O-CD 3.32Å; G76-T122 WeakPolarHBondContact CA-OG1 3.07Å; G76-T122 PolarHBondContact N-O 3.46Å
77H98.8Very high98.9Very high23 Ų236.9 Ų6.911%0.1063%0.034CC..G310 helixtrans-63.7-16.2176.666-94000113.6H37 S40 K75 A79 H110 H258H37-H77 AromaticContact CD2-CD2 3.98Å; H37-H77 AromaticContact CG-CD2 3.83Å; H37-H77 PolarHBondContact ND1-O 3.47Å; S40-H77 VanDerWaalsContact CB-CD2 3.5Å; S40-H77 WeakPolarHBondContact CB-CD2 3.45Å; S40-H77 WeakPolarHBondContact CB-NE2 3.45Å; S40-H77 PolarHBondContact OG-CD2 3.01Å; S40-H77 VanDerWaalsContact OG-CD2 3.29Å; S40-H77 PolarHBondContact OG-NE2 2.93Å; K75-H77 PolarHBondContact O-N 2.98Å; H77-A79 PolarHBondContact O-N 3.42Å; H77-H110 VanDerWaalsContact CA-CD2 3.48Å; H77-H110 WeakPolarHBondContact CA-CD2 3.37Å; H77-H110 PolarHBondContact N-CD2 3.29Å; H77-H258 AromaticContact CD2-CE1 3.83Å; H77-H258 AromaticContact NE2-CE1 3.7Å
78A98.8Very high98.9Very high0 Ų06.3 Ų6.30%03%0.031CC..G310 helixtrans-80.117.2168.700000113.5L73 K75 G76 P80 I81L73-A78 HydrophobicContact CD1-CB 4.38Å; L73-A78 HydrophobicContact CD2-CB 4.22Å; K75-A78 PolarHBondContact O-N 3.43Å; G76-A78 PolarHBondContact O-N 3.36Å; G76-A78 VanDerWaalsContact O-N 3.12Å; A78-P80 VanDerWaalsContact C-N 3.27Å; A78-P80 WeakPolarHBondContact O-CD 3.28Å; A78-P80 VanDerWaalsContact O-N 3.07Å; A78-I81 HydrophobicContact CB-CG2 4.36Å; A78-I81 WeakPolarHBondContact O-CG2 3.48Å; A78-I81 PolarHBondContact O-N 2.93Å
79A98.9Very high98.9Very high0 Ų06.9 Ų6.90%04%0.036CC..Hα-helixtrans-43.1-41.3178.700000115.6G76 H77 I81 L82 Y83 P111G76-A79 WeakPolarHBondContact O-CB 3.5Å; G76-A79 PolarHBondContact O-N 2.85Å; H77-A79 PolarHBondContact O-N 3.42Å; A79-I81 PolarHBondContact O-N 2.96Å; A79-I81 VanDerWaalsContact O-N 3.17Å; A79-L82 WeakPolarHBondContact O-CA 3.43Å; A79-L82 WeakPolarHBondContact O-CB 3.37Å; A79-L82 PolarHBondContact O-N 2.84Å; A79-Y83 HydrophobicContact CB-CE1 4.11Å; A79-Y83 HydrophobicContact CB-CE2 3.8Å; A79-Y83 WeakPolarHBondContact CB-OH 3.48Å; A79-Y83 WeakPolarHBondContact O-CD1 3.36Å; A79-Y83 WeakPolarHBondContact O-CD2 3.43Å; A79-Y83 VanDerWaalsContact O-CG 3.25Å; A79-Y83 PolarHBondContact O-N 2.87Å; A79-P111 HydrophobicContact CB-CG 4Å
80P98.9Very high98.8Very high4 Ų48.2 Ų8.23%0.0265%0.054CC..Hα-helixtrans-55.8-36.1-179.8-27.636.5000114T30 A78 Y83 A84 L100T30-P80 HydrophobicContact CG2-CB 4.3Å; T30-P80 HydrophobicContact CG2-CG 3.78Å; A78-P80 VanDerWaalsContact C-N 3.27Å; A78-P80 WeakPolarHBondContact O-CD 3.28Å; A78-P80 VanDerWaalsContact O-N 3.07Å; P80-Y83 PolarHBondContact O-N 2.78Å; P80-A84 WeakPolarHBondContact O-CB 3.41Å; P80-A84 PolarHBondContact O-N 3.45Å; P80-L100 HydrophobicContact CB-CD2 4.3Å; P80-L100 HydrophobicContact CG-CD1 4.19Å; P80-L100 HydrophobicContact CG-CD2 3.77Å
81I98.9Very high98.8Very high0 Ų010.9 Ų10.90%07%0.065CC..Hα-helixtrans-75.6-29.2178.4-154164.4000112.7L22 C41 A45 M48 A78 A79 A84 V85L22-I81 HydrophobicContact CB-CD1 3.91Å; L22-I81 HydrophobicContact CB-CG1 3.84Å; L22-I81 HydrophobicContact CD1-CG1 4.38Å; C41-I81 HydrophobicContact CB-CB 3.92Å; C41-I81 HydrophobicContact CB-CD1 4.31Å; C41-I81 HydrophobicContact CB-CG2 4.38Å; C41-I81 VanDerWaalsContact O-CD1 3.23Å; C41-I81 WeakPolarHBondContact O-CD1 3.48Å; A45-I81 HydrophobicContact CB-CD1 3.95Å; M48-I81 HydrophobicContact CB-CD1 4.49Å; M48-I81 HydrophobicContact CE-CG2 4.32Å; M48-I81 HydrophobicContact CG-CD1 4.25Å; M48-I81 HydrophobicContact CG-CG1 4.31Å; M48-I81 HydrophobicContact CG-CG2 3.95Å; A78-I81 HydrophobicContact CB-CG2 4.36Å; A78-I81 WeakPolarHBondContact O-CG2 3.48Å; A78-I81 PolarHBondContact O-N 2.93Å; A79-I81 PolarHBondContact O-N 2.96Å; A79-I81 VanDerWaalsContact O-N 3.17Å; I81-A84 PolarHBondContact O-N 3.39Å; I81-V85 PolarHBondContact O-N 2.88Å; I81-V85 VanDerWaalsContact O-N 3.09Å
82L98.9Very high98.8Very high7 Ų710.9 Ų10.94%0.0377%0.067CC..Hα-helixtrans-63.9-44.3169.6175.462.3000110.4M48 F52 F71 L73 A79 A84 V85 W86 P111 F117M48-L82 HydrophobicContact CE-CD1 4.41Å; F52-L82 HydrophobicContact CZ-CD1 4.08Å; F71-L82 HydrophobicContact CD1-CD1 3.95Å; F71-L82 HydrophobicContact CE1-CD1 3.96Å; L73-L82 HydrophobicContact CB-CD2 4.42Å; L73-L82 HydrophobicContact CD2-CB 3.96Å; L73-L82 HydrophobicContact CD2-CD2 4.31Å; A79-L82 WeakPolarHBondContact O-CA 3.43Å; A79-L82 WeakPolarHBondContact O-CB 3.37Å; A79-L82 PolarHBondContact O-N 2.84Å; L82-A84 VanDerWaalsContact C-N 3.32Å; L82-A84 PolarHBondContact O-N 3.5Å; L82-V85 HydrophobicContact CD1-CG2 4.17Å; L82-V85 WeakPolarHBondContact O-CG2 3.34Å; L82-V85 PolarHBondContact O-N 3.13Å; L82-W86 PolarHBondContact O-N 3.19Å; L82-P111 HydrophobicContact CD2-CB 4.09Å; L82-P111 HydrophobicContact CD2-CG 3.83Å; L82-F117 HydrophobicContact CD2-CD2 4.33Å; L82-F117 HydrophobicContact CD2-CE2 4.38Å; L82-F117 HydrophobicContact CG-CD2 4.33Å; L82-F117 HydrophobicContact CG-CE2 4.36Å
83Y98.9Very high98.8Very high3 Ų314.9 Ų14.91%0.0129%0.093CC..Hα-helixtrans-64.5-41.2178-50-25.6000110.9A79 P80 V85 W86 A87 L100 L107 D108 H110 Q115 F117A79-Y83 HydrophobicContact CB-CE1 4.11Å; A79-Y83 HydrophobicContact CB-CE2 3.8Å; A79-Y83 WeakPolarHBondContact CB-OH 3.48Å; A79-Y83 WeakPolarHBondContact O-CD1 3.36Å; A79-Y83 WeakPolarHBondContact O-CD2 3.43Å; A79-Y83 VanDerWaalsContact O-CG 3.25Å; A79-Y83 PolarHBondContact O-N 2.87Å; P80-Y83 PolarHBondContact O-N 2.78Å; Y83-V85 PolarHBondContact O-N 3.31Å; Y83-W86 PolarHBondContact O-N 2.89Å; Y83-A87 PolarHBondContact O-N 3.08Å; Y83-L100 HydrophobicContact CD2-CD1 3.91Å; Y83-L100 HydrophobicContact CE2-CD1 3.6Å; Y83-L107 HydrophobicContact CD1-CD2 4.08Å; Y83-L107 HydrophobicContact CD2-CB 3.9Å; Y83-L107 HydrophobicContact CD2-CD1 4.31Å; Y83-L107 HydrophobicContact CD2-CD2 4.08Å; Y83-L107 HydrophobicContact CD2-CG 4.32Å; Y83-L107 HydrophobicContact CE1-CD2 4.47Å; Y83-L107 HydrophobicContact CE2-CB 3.9Å; Y83-L107 HydrophobicContact CE2-CD2 4.45Å; Y83-L107 HydrophobicContact CG-CD1 4.48Å; Y83-L107 HydrophobicContact CG-CD2 3.88Å; Y83-D108 VanDerWaalsContact CE2-O 3.32Å; Y83-D108 WeakPolarHBondContact CE2-O 3.41Å; Y83-D108 PolarHBondContact OH-O 2.93Å; Y83-H110 PolarHBondContact OH-O 3.47Å; Y83-Q115 PolarHBondContact OH-NE2 3.02Å; Y83-Q115 VanDerWaalsContact OH-NE2 3.07Å; Y83-F117 AromaticContact CD1-CE2 3.73Å; Y83-F117 HydrophobicContact CD1-CE2 3.73Å; Y83-F117 AromaticContact CD1-CZ 3.78Å; Y83-F117 HydrophobicContact CD1-CZ 3.78Å; Y83-F117 AromaticContact CE1-CE2 3.91Å; Y83-F117 HydrophobicContact CE1-CE2 3.91Å; Y83-F117 HydrophobicContact CE1-CZ 4.18Å
84A98.9Very high98.7Very high4 Ų420.2 Ų20.23%0.03312%0.117CC..Hα-helixtrans-60.3-40.4177.200000113L22 P80 I81 L82 W86 A87 E88L22-A84 HydrophobicContact CD2-CB 3.61Å; P80-A84 WeakPolarHBondContact O-CB 3.41Å; P80-A84 PolarHBondContact O-N 3.45Å; I81-A84 PolarHBondContact O-N 3.39Å; L82-A84 VanDerWaalsContact C-N 3.32Å; L82-A84 PolarHBondContact O-N 3.5Å; A84-W86 VanDerWaalsContact C-N 3.33Å; A84-W86 PolarHBondContact O-N 2.83Å; A84-A87 PolarHBondContact O-N 2.97Å; A84-E88 VanDerWaalsContact O-CB 3.31Å; A84-E88 WeakPolarHBondContact O-CB 3.45Å; A84-E88 PolarHBondContact O-N 3.24Å
85V98.9Very high98.7Very high0 Ų023.9 Ų23.90%015%0.148CC..Hα-helixtrans-67.1-33.4176.5-66.40000112.6L22 M48 F52 F53 I81 L82 Y83 E88 A89L22-V85 HydrophobicContact CD1-CG1 3.56Å; L22-V85 HydrophobicContact CD2-CB 4.36Å; L22-V85 HydrophobicContact CD2-CG1 3.59Å; L22-V85 HydrophobicContact CG-CG1 4.23Å; M48-V85 HydrophobicContact CB-CG1 4.02Å; M48-V85 HydrophobicContact CE-CG1 4.01Å; M48-V85 HydrophobicContact CE-CG2 3.76Å; F52-V85 HydrophobicContact CB-CB 4.41Å; F52-V85 HydrophobicContact CD1-CB 4.06Å; F52-V85 HydrophobicContact CD1-CG2 3.84Å; F52-V85 HydrophobicContact CD2-CB 4.27Å; F52-V85 HydrophobicContact CD2-CG1 4.23Å; F52-V85 HydrophobicContact CD2-CG2 4.04Å; F52-V85 HydrophobicContact CE1-CB 4.41Å; F52-V85 HydrophobicContact CE1-CG2 3.69Å; F52-V85 HydrophobicContact CE2-CG2 3.91Å; F52-V85 HydrophobicContact CG-CB 3.98Å; F52-V85 HydrophobicContact CG-CG1 4.28Å; F52-V85 HydrophobicContact CG-CG2 4.02Å; F52-V85 HydrophobicContact CZ-CG2 3.72Å; F53-V85 HydrophobicContact CE2-CB 4.34Å; F53-V85 HydrophobicContact CE2-CG1 4.26Å; I81-V85 PolarHBondContact O-N 2.88Å; I81-V85 VanDerWaalsContact O-N 3.09Å; L82-V85 HydrophobicContact CD1-CG2 4.17Å; L82-V85 WeakPolarHBondContact O-CG2 3.34Å; L82-V85 PolarHBondContact O-N 3.13Å; Y83-V85 PolarHBondContact O-N 3.31Å; V85-E88 PolarHBondContact O-N 2.92Å; V85-A89 VanDerWaalsContact O-CB 3.31Å; V85-A89 WeakPolarHBondContact O-CB 3.38Å; V85-A89 PolarHBondContact O-N 3.46Å
86W98.9Very high98.7Very high15 Ų1526.5 Ų26.56%0.05716%0.16CC..Hα-helixtrans-74.3-29.6176.6-76.4107.1000113F52 Y58 P63 L82 Y83 A84 G90 F91 L92 F117F52-W86 AromaticContact CE1-CE2 3.9Å; F52-W86 HydrophobicContact CE1-CZ2 4.05Å; F52-W86 AromaticContact CE1-NE1 3.81Å; Y58-W86 AromaticContact CD2-CH2 3.7Å; Y58-W86 HydrophobicContact CD2-CH2 3.7Å; Y58-W86 AromaticContact CD2-CZ3 3.94Å; Y58-W86 HydrophobicContact CD2-CZ3 3.94Å; Y58-W86 AromaticContact CE2-CH2 3.86Å; Y58-W86 HydrophobicContact CE2-CH2 3.86Å; Y58-W86 AromaticContact CE2-CZ3 3.79Å; Y58-W86 HydrophobicContact CE2-CZ3 3.79Å; P63-W86 HydrophobicContact CB-CH2 3.57Å; P63-W86 HydrophobicContact CB-CZ2 4.12Å; P63-W86 HydrophobicContact CB-CZ3 3.86Å; P63-W86 HydrophobicContact CG-CE3 4.13Å; P63-W86 HydrophobicContact CG-CH2 3.88Å; P63-W86 HydrophobicContact CG-CZ3 3.6Å; L82-W86 PolarHBondContact O-N 3.19Å; Y83-W86 PolarHBondContact O-N 2.89Å; A84-W86 VanDerWaalsContact C-N 3.33Å; A84-W86 PolarHBondContact O-N 2.83Å; W86-G90 PolarHBondContact O-N 3.43Å; W86-F91 HydrophobicContact CB-CB 4.5Å; W86-F91 HydrophobicContact CE3-CB 3.8Å; W86-F91 HydrophobicContact CE3-CD1 4.32Å; W86-F91 HydrophobicContact CE3-CG 4.14Å; W86-F91 WeakPolarHBondContact O-CB 3.3Å; W86-F91 PolarHBondContact O-N 3.02Å; W86-L92 HydrophobicContact CB-CD1 4.08Å; W86-L92 HydrophobicContact CB-CG 4.22Å; W86-L92 PolarHBondContact O-N 3.23Å; W86-F117 HydrophobicContact CB-CD1 4.12Å; W86-F117 HydrophobicContact CB-CE1 4.37Å; W86-F117 AromaticContact CD1-CD1 3.89Å; W86-F117 AromaticContact CD1-CD2 3.58Å; W86-F117 AromaticContact CD1-CG 3.41Å; W86-F117 VanDerWaalsContact CD1-CG 3.41Å; W86-F117 HydrophobicContact CD2-CB 3.59Å; W86-F117 HydrophobicContact CD2-CD1 4.17Å; W86-F117 AromaticContact CD2-CG 3.98Å; W86-F117 HydrophobicContact CD2-CG 3.98Å; W86-F117 AromaticContact CE2-CG 3.87Å; W86-F117 HydrophobicContact CE3-CB 4.27Å; W86-F117 HydrophobicContact CG-CB 3.9Å; W86-F117 AromaticContact CG-CD1 3.79Å; W86-F117 HydrophobicContact CG-CD1 3.79Å; W86-F117 HydrophobicContact CG-CD2 4.3Å; W86-F117 HydrophobicContact CG-CE1 4.41Å; W86-F117 AromaticContact CG-CG 3.73Å; W86-F117 HydrophobicContact CG-CG 3.73Å; W86-F117 HydrophobicContact CH2-CB 4.19Å; W86-F117 HydrophobicContact CZ2-CB 3.5Å; W86-F117 AromaticContact NE1-CD2 3.78Å; W86-F117 AromaticContact NE1-CG 3.55Å
87A98.9Very high98.7Very high4 Ų427.1 Ų27.13%0.03316%0.164CC..Hα-helixtrans-71.1-40.9167.300000112.1Y83 A84 A89 G90 L92 E94 L97Y83-A87 PolarHBondContact O-N 3.08Å; A84-A87 PolarHBondContact O-N 2.97Å; A87-A89 VanDerWaalsContact C-N 3.27Å; A87-A89 PolarHBondContact O-N 3.43Å; A87-G90 PolarHBondContact O-N 2.9Å; A87-L92 WeakPolarHBondContact CA-O 3.48Å; A87-L92 HydrophobicContact CB-CB 4.01Å; A87-E94 HydrophobicContact CB-CG 4.32Å; A87-L97 HydrophobicContact CB-CD1 3.62Å; A87-L97 HydrophobicContact CB-CD2 4.04Å; A87-L97 HydrophobicContact CB-CG 4.08Å
88E98.8Very high98.7Very high15 Ų1529.9 Ų29.97%0.0718%0.178CC..Hα-helixtrans-63-34.6176-175.776.2169.700111.9T18 R21 F53 A84 V85 G90 K283T18-E88 HydrophobicContact CG2-CG 4.12Å; T18-E88 PolarHBondContact OG1-OE1 2.9Å; R21-E88 IonicContact CZ-OE1 2.72Å; R21-E88 IonicContact NE-OE1 2.73Å; R21-E88 PolarHBondContact NE-OE1 2.87Å; R21-E88 IonicContact NE-OE2 3.74Å; R21-E88 IonicContact NH2-OE1 3.96Å; R21-E88 PolarHBondContact NH2-OE1 3.47Å; F53-E88 HydrophobicContact CE1-CB 4.42Å; F53-E88 HydrophobicContact CE1-CG 3.89Å; F53-E88 HydrophobicContact CE2-CB 4.19Å; F53-E88 HydrophobicContact CE2-CG 3.77Å; F53-E88 HydrophobicContact CZ-CB 3.59Å; F53-E88 HydrophobicContact CZ-CG 3.31Å; A84-E88 VanDerWaalsContact O-CB 3.31Å; A84-E88 WeakPolarHBondContact O-CB 3.45Å; A84-E88 PolarHBondContact O-N 3.24Å; V85-E88 PolarHBondContact O-N 2.92Å; E88-G90 PolarHBondContact O-N 3.36Å; E88-K283 WeakPolarHBondContact OE2-CD 3.4Å; E88-K283 VanDerWaalsContact OE2-CE 3.26Å; E88-K283 WeakPolarHBondContact OE2-CE 3.32Å; E88-K283 IonicContact OE2-NZ 2.72Å; E88-K283 PolarHBondContact OE2-NZ 3.24Å
89A98.6Very high98.7Very high13 Ų1331.9 Ų31.911%0.10719%0.189CC..THydrogen-bonded Turntrans-76.9-4.4173.300000114.1F53 Y58 S60 V85 A87F53-A89 HydrophobicContact CE1-CB 4.21Å; F53-A89 HydrophobicContact CZ-CB 4.33Å; Y58-A89 HydrophobicContact CE2-CB 4.37Å; S60-A89 WeakPolarHBondContact CB-O 3.37Å; V85-A89 VanDerWaalsContact O-CB 3.31Å; V85-A89 WeakPolarHBondContact O-CB 3.38Å; V85-A89 PolarHBondContact O-N 3.46Å; A87-A89 VanDerWaalsContact C-N 3.27Å; A87-A89 PolarHBondContact O-N 3.43Å
90G98.5Very high98.7Very high45 Ų4532 Ų3246%0.46419%0.19SC..THydrogen-bonded Turntrans81.814.2177.100000115.5Q61 W86 A87 E88Q61-G90 PolarHBondContact NE2-O 3.2Å; W86-G90 PolarHBondContact O-N 3.43Å; A87-G90 PolarHBondContact O-N 2.9Å; E88-G90 PolarHBondContact O-N 3.36Å
91F98.8Very high98.7Very high58 Ų5835.7 Ų35.725%0.25420%0.203SC..SBendtrans-81.9-47.1175.2-178.5-106.7000111.7S60 P63 W86 A116 F117S60-F91 WeakPolarHBondContact O-CB 3.41Å; S60-F91 WeakPolarHBondContact O-CD2 3.38Å; P63-F91 HydrophobicContact CG-CD1 4.18Å; P63-F91 HydrophobicContact CG-CD2 3.79Å; P63-F91 HydrophobicContact CG-CE1 4.06Å; P63-F91 HydrophobicContact CG-CE2 3.64Å; P63-F91 HydrophobicContact CG-CG 4.07Å; P63-F91 HydrophobicContact CG-CZ 3.79Å; W86-F91 HydrophobicContact CB-CB 4.5Å; W86-F91 HydrophobicContact CE3-CB 3.8Å; W86-F91 HydrophobicContact CE3-CD1 4.32Å; W86-F91 HydrophobicContact CE3-CG 4.14Å; W86-F91 WeakPolarHBondContact O-CB 3.3Å; W86-F91 PolarHBondContact O-N 3.02Å; F91-A116 HydrophobicContact CE1-CB 4.29Å; F91-A116 HydrophobicContact CZ-CB 3.8Å; F91-F117 AromaticContact CD1-CD1 3.78Å; F91-F117 HydrophobicContact CD1-CD1 3.78Å; F91-F117 HydrophobicContact CD1-CE1 4.27Å; F91-F117 AromaticContact CE1-CD1 3.69Å; F91-F117 HydrophobicContact CE1-CD1 3.69Å; F91-F117 HydrophobicContact CE1-CE1 4.16Å
92L98.5Very high98.7Very high27 Ų2740.1 Ų40.114%0.14122%0.223CC..SBendtrans-93.6141.2177.1-70177.4000111.1W86 A87 E94 L97 L107 F117W86-L92 HydrophobicContact CB-CD1 4.08Å; W86-L92 HydrophobicContact CB-CG 4.22Å; W86-L92 PolarHBondContact O-N 3.23Å; A87-L92 WeakPolarHBondContact CA-O 3.48Å; A87-L92 HydrophobicContact CB-CB 4.01Å; L92-E94 PolarHBondContact O-N 3.44Å; L92-L97 HydrophobicContact CD1-CD2 4.46Å; L92-L107 HydrophobicContact CD1-CD2 3.93Å; L92-F117 HydrophobicContact CD1-CE1 3.74Å; L92-F117 HydrophobicContact CD1-CZ 4.07Å; L92-F117 HydrophobicContact CD2-CE1 4.1Å; L92-F117 HydrophobicContact CG-CE1 4.05Å
93P98.5Very high98.7Very high89 Ų8948.4 Ų48.458%0.57827%0.265SS*.  trans-60.8129.5163.5-18.931.7000110.1A95 E96P93-A95 PolarHBondContact O-N 2.96Å; P93-E96 HydrophobicContact CB-CB 4.46Å; P93-E96 WeakPolarHBondContact O-CB 3.4Å; P93-E96 PolarHBondContact O-N 3.22Å
94E98Very high98.6Very high116 Ų11652.7 Ų52.754%0.54230%0.295SS..G310 helixtrans-57.8-34.8-178.9-67.6-178.8-158.800113.2A87 L92 E96 L97 K283A87-E94 HydrophobicContact CB-CG 4.32Å; L92-E94 PolarHBondContact O-N 3.44Å; E94-E96 PolarHBondContact O-N 2.78Å; E94-L97 WeakPolarHBondContact O-CB 3.26Å; E94-L97 VanDerWaalsContact O-CG 3.28Å; E94-L97 WeakPolarHBondContact O-CG 3.45Å; E94-L97 PolarHBondContact O-N 3.08Å; E94-K283 VanDerWaalsContact OE1-CE 3.24Å; E94-K283 WeakPolarHBondContact OE1-CE 3.29Å; E94-K283 IonicContact OE1-NZ 2.74Å; E94-K283 PolarHBondContact OE1-NZ 2.78Å
95A98.4Very high98.6Very high78 Ų7852.8 Ų52.865%0.64530%0.296SS*.G310 helixtrans-63.5-27.317900000112.9P93 L97 L98P93-A95 PolarHBondContact O-N 2.96Å; A95-L97 PolarHBondContact O-N 3.37Å; A95-L98 PolarHBondContact O-N 3.31Å
96E98.6Very high98.6Very high55 Ų5557.3 Ų57.326%0.25732%0.32SS..G310 helixtrans-68.3-24-179.4-171.953.4-153.600112P93 E94 L98 N99 S105 L107P93-E96 HydrophobicContact CB-CB 4.46Å; P93-E96 WeakPolarHBondContact O-CB 3.4Å; P93-E96 PolarHBondContact O-N 3.22Å; E94-E96 PolarHBondContact O-N 2.78Å; E96-L98 PolarHBondContact O-N 3.33Å; E96-L98 VanDerWaalsContact O-N 3.13Å; E96-N99 WeakPolarHBondContact O-CB 3.37Å; E96-N99 PolarHBondContact O-N 3.04Å; E96-N99 PolarHBondContact OE2-ND2 3.34Å; E96-S105 VanDerWaalsContact OE1-CB 3.3Å; E96-S105 WeakPolarHBondContact OE1-CB 3.43Å; E96-S105 PolarHBondContact OE1-OG 3.24Å; E96-L107 HydrophobicContact CG-CD1 4.08Å; E96-L107 HydrophobicContact CG-CG 4.42Å; E96-L107 WeakPolarHBondContact O-CD1 3.49Å
97L98.8Very high98.6Very high14 Ų1456.9 Ų56.97%0.07332%0.319CS..G310 helixtrans-58.7-29.1178.1-57.7173.7000112.6S25 A29 A87 L92 E94 A95 N99 L100 L107S25-L97 VanDerWaalsContact OG-CD1 3.24Å; S25-L97 WeakPolarHBondContact OG-CD1 3.49Å; A29-L97 VanDerWaalsContact CB-O 3.22Å; A29-L97 WeakPolarHBondContact CB-O 3.4Å; A87-L97 HydrophobicContact CB-CD1 3.62Å; A87-L97 HydrophobicContact CB-CD2 4.04Å; A87-L97 HydrophobicContact CB-CG 4.08Å; L92-L97 HydrophobicContact CD1-CD2 4.46Å; E94-L97 WeakPolarHBondContact O-CB 3.26Å; E94-L97 VanDerWaalsContact O-CG 3.28Å; E94-L97 WeakPolarHBondContact O-CG 3.45Å; E94-L97 PolarHBondContact O-N 3.08Å; A95-L97 PolarHBondContact O-N 3.37Å; L97-N99 PolarHBondContact O-N 2.87Å; L97-L100 PolarHBondContact O-N 3.36Å; L97-L107 HydrophobicContact CD2-CD1 4.07Å
98L98.8Very high98.6Very high80 Ų8059.1 Ų59.142%0.41933%0.33SS..G310 helixtrans-76.6-6.1177.6-58.4-179.1000113.4Q28 A95 E96Q28-L98 HydrophobicContact CB-CD2 3.89Å; A95-L98 PolarHBondContact O-N 3.31Å; E96-L98 PolarHBondContact O-N 3.33Å; E96-L98 VanDerWaalsContact O-N 3.13Å
99N98.8Very high98.6Very high42 Ų4259.1 Ų59.123%0.22533%0.334CS..G310 helixtrans-95.49.2174.3-64.1-36.6000113.4E96 L97 R101 K102 S105E96-N99 WeakPolarHBondContact O-CB 3.37Å; E96-N99 PolarHBondContact O-N 3.04Å; E96-N99 PolarHBondContact OE2-ND2 3.34Å; L97-N99 PolarHBondContact O-N 2.87Å; N99-R101 PolarHBondContact O-N 2.59Å; N99-K102 HydrophobicContact CB-CD 4.16Å; N99-K102 WeakPolarHBondContact O-CB 3.24Å; N99-K102 WeakPolarHBondContact O-CG 3.45Å; N99-K102 PolarHBondContact O-N 2.61Å; N99-K102 VanDerWaalsContact O-N 3.08Å; N99-K102 PolarHBondContact OD1-NZ 3.32Å; N99-S105 VanDerWaalsContact O-CB 3.27Å; N99-S105 WeakPolarHBondContact O-CB 3.38Å
100L98.9Very high98.6Very high2 Ų261.6 Ų61.61%0.0134%0.344CS..THydrogen-bonded Turntrans-40130.7171.7176.371.4000111.9A29 T30 A33 P80 Y83 L97 K102 L107A29-L100 HydrophobicContact CB-CB 4.05Å; A29-L100 HydrophobicContact CB-CD2 3.78Å; T30-L100 HydrophobicContact CG2-CD2 3.81Å; A33-L100 HydrophobicContact CB-CB 4.47Å; A33-L100 HydrophobicContact CB-CD2 4.29Å; A33-L100 HydrophobicContact CB-CG 4.35Å; A33-L100 WeakPolarHBondContact CB-O 3.44Å; P80-L100 HydrophobicContact CB-CD2 4.3Å; P80-L100 HydrophobicContact CG-CD1 4.19Å; P80-L100 HydrophobicContact CG-CD2 3.77Å; Y83-L100 HydrophobicContact CD2-CD1 3.91Å; Y83-L100 HydrophobicContact CE2-CD1 3.6Å; L97-L100 PolarHBondContact O-N 3.36Å; L100-K102 PolarHBondContact O-N 3Å; L100-K102 VanDerWaalsContact O-N 3.13Å; L100-L107 WeakPolarHBondContact CA-O 3.32Å; L100-L107 WeakPolarHBondContact CD1-O 3.39Å
101R98.6Very high98.6Very high82 Ų8259.6 Ų59.631%0.30932%0.322SS..THydrogen-bonded Turntrans63.85.3176.2-67.3164.9172.2-116.6-12.5115.9A33 S35 N99 L107 G109A33-R101 HydrophobicContact CB-CB 4.32Å; S35-R101 VanDerWaalsContact OG-CD 3.28Å; S35-R101 WeakPolarHBondContact OG-CD 3.36Å; S35-R101 PolarHBondContact OG-NH1 3.37Å; N99-R101 PolarHBondContact O-N 2.59Å; R101-L107 PolarHBondContact N-O 3.34Å; R101-G109 PolarHBondContact NH2-O 3.47Å
102K98.8Very high98.6Very high94 Ų9458 Ų5841%0.40932%0.317SS..  trans-77.8145.7172.9-63.5-177.9-172.1167.20110.1N99 L100 S104 S105N99-K102 HydrophobicContact CB-CD 4.16Å; N99-K102 WeakPolarHBondContact O-CB 3.24Å; N99-K102 WeakPolarHBondContact O-CG 3.45Å; N99-K102 PolarHBondContact O-N 2.61Å; N99-K102 VanDerWaalsContact O-N 3.08Å; N99-K102 PolarHBondContact OD1-NZ 3.32Å; L100-K102 PolarHBondContact O-N 3Å; L100-K102 VanDerWaalsContact O-N 3.13Å; K102-S104 PolarHBondContact O-N 3.25Å; K102-S104 VanDerWaalsContact O-N 3.14Å; K102-S105 PolarHBondContact O-N 2.76Å; K102-S105 VanDerWaalsContact O-N 3.08Å
103I98.4Very high98.6Very high181 Ų18157.3 Ų57.393%0.92831%0.314SS*.THydrogen-bonded Turntrans-60.9-21.2173.1-165.3168.4000113.2S105I103-S105 VanDerWaalsContact C-N 3.31Å
104S98.4Very high98.6Very high92 Ų9257.2 Ų57.264%0.64331%0.305SS*.THydrogen-bonded Turntrans-87.76.217865.20000113.9K102K102-S104 PolarHBondContact O-N 3.25Å; K102-S104 VanDerWaalsContact O-N 3.14Å
105S98.6Very high98.6Very high7 Ų752 Ų525%0.04928%0.281CS..  trans-131.5155.4-177.8-174.10000110.4E96 N99 K102 I103 L107E96-S105 VanDerWaalsContact OE1-CB 3.3Å; E96-S105 WeakPolarHBondContact OE1-CB 3.43Å; E96-S105 PolarHBondContact OE1-OG 3.24Å; N99-S105 VanDerWaalsContact O-CB 3.27Å; N99-S105 WeakPolarHBondContact O-CB 3.38Å; K102-S105 PolarHBondContact O-N 2.76Å; K102-S105 VanDerWaalsContact O-N 3.08Å; I103-S105 VanDerWaalsContact C-N 3.31Å; S105-L107 PolarHBondContact OG-N 3.41Å
106D98.5Very high98.6Very high94 Ų9450 Ų5050%0.50326%0.264SS..SBendtrans-952.7171.4-70.6-38.1000113.5D108 K114 Q115D106-D108 PolarHBondContact O-N 3.48Å; D106-K114 HydrophobicContact CB-CD 4.21Å; D106-K114 WeakPolarHBondContact OD1-CD 3.33Å; D106-K114 WeakPolarHBondContact OD1-CE 3.37Å; D106-K114 IonicContact OD1-NZ 2.7Å; D106-K114 PolarHBondContact OD1-NZ 2.89Å; D106-Q115 PolarHBondContact O-NE2 3.07Å
107L98.8Very high98.6Very high6 Ų648.1 Ų48.13%0.03126%0.255CS..  trans-81.471.6171.2-58.8-170000110.1Y83 L92 E96 L97 L100 R101 S105 F117Y83-L107 HydrophobicContact CD1-CD2 4.08Å; Y83-L107 HydrophobicContact CD2-CB 3.9Å; Y83-L107 HydrophobicContact CD2-CD1 4.31Å; Y83-L107 HydrophobicContact CD2-CD2 4.08Å; Y83-L107 HydrophobicContact CD2-CG 4.32Å; Y83-L107 HydrophobicContact CE1-CD2 4.47Å; Y83-L107 HydrophobicContact CE2-CB 3.9Å; Y83-L107 HydrophobicContact CE2-CD2 4.45Å; Y83-L107 HydrophobicContact CG-CD1 4.48Å; Y83-L107 HydrophobicContact CG-CD2 3.88Å; L92-L107 HydrophobicContact CD1-CD2 3.93Å; E96-L107 HydrophobicContact CG-CD1 4.08Å; E96-L107 HydrophobicContact CG-CG 4.42Å; E96-L107 WeakPolarHBondContact O-CD1 3.49Å; L97-L107 HydrophobicContact CD2-CD1 4.07Å; L100-L107 WeakPolarHBondContact CA-O 3.32Å; L100-L107 WeakPolarHBondContact CD1-O 3.39Å; R101-L107 PolarHBondContact N-O 3.34Å; S105-L107 PolarHBondContact OG-N 3.41Å; L107-F117 HydrophobicContact CD2-CZ 4.27Å
108D98.7Very high98.6Very high52 Ų5247.8 Ų47.828%0.27825%0.253SS..  trans-68.6171.7-176.3-70.528.2000112.6Y83 D106 H110 V112 K114Y83-D108 VanDerWaalsContact CE2-O 3.32Å; Y83-D108 WeakPolarHBondContact CE2-O 3.41Å; Y83-D108 PolarHBondContact OH-O 2.93Å; D106-D108 PolarHBondContact O-N 3.48Å; D108-H110 PolarHBondContact O-N 3.3Å; D108-H110 VanDerWaalsContact O-N 3.17Å; D108-V112 HydrophobicContact CB-CG2 4.18Å; D108-K114 VanDerWaalsContact CG-CE 3.42Å; D108-K114 VanDerWaalsContact CG-NZ 3.29Å; D108-K114 WeakPolarHBondContact OD1-CE 3.49Å; D108-K114 IonicContact OD1-NZ 2.77Å; D108-K114 PolarHBondContact OD1-NZ 3.07Å; D108-K114 WeakPolarHBondContact OD2-CE 3.32Å; D108-K114 IonicContact OD2-NZ 3.17Å; D108-K114 PolarHBondContact OD2-NZ 3.14Å
109G98.6Very high98.6Very high15 Ų1544.9 Ų44.916%0.15524%0.238CC..SBendtrans-64.1-20.2-178.300000115.4R101R101-G109 PolarHBondContact NH2-O 3.47Å
110H98.8Very high98.6Very high65 Ų6543.3 Ų43.330%0.30123%0.23SC..SBendtrans-140.2155.4174.3-64.289.3000108.8H77 Y83 D108H77-H110 VanDerWaalsContact CA-CD2 3.48Å; H77-H110 WeakPolarHBondContact CA-CD2 3.37Å; H77-H110 PolarHBondContact N-CD2 3.29Å; Y83-H110 PolarHBondContact OH-O 3.47Å; D108-H110 PolarHBondContact O-N 3.3Å; D108-H110 VanDerWaalsContact O-N 3.17Å
111P98.8Very high98.6Very high3 Ų343.5 Ų43.52%0.01923%0.232CC..  trans-64138.8179.2-20.332.8000111.8L73 G76 A79 L82 T118 A121L73-P111 HydrophobicContact CD2-CG 4.22Å; G76-P111 WeakPolarHBondContact O-CD 3.32Å; A79-P111 HydrophobicContact CB-CG 4Å; L82-P111 HydrophobicContact CD2-CB 4.09Å; L82-P111 HydrophobicContact CD2-CG 3.83Å; P111-T118 HydrophobicContact CB-CG2 3.71Å; P111-A121 WeakPolarHBondContact O-CA 3.27Å; P111-A121 WeakPolarHBondContact O-CB 3.49Å
112V98.8Very high98.7Very high24 Ų2439.8 Ų39.815%0.14522%0.218CC..  trans-143150.3178-76.90000110.2D108 K114 Q115 T118 A121 I405D108-V112 HydrophobicContact CB-CG2 4.18Å; V112-K114 HydrophobicContact CB-CG 4.46Å; V112-K114 HydrophobicContact CG2-CD 4.14Å; V112-K114 HydrophobicContact CG2-CG 3.71Å; V112-K114 PolarHBondContact O-N 2.9Å; V112-K114 VanDerWaalsContact O-N 3.13Å; V112-Q115 VanDerWaalsContact O-CB 3.28Å; V112-Q115 WeakPolarHBondContact O-CB 3.4Å; V112-Q115 WeakPolarHBondContact O-CG 3.4Å; V112-Q115 PolarHBondContact O-N 3.12Å; V112-Q115 PolarHBondContact O-OE1 2.77Å; V112-T118 WeakPolarHBondContact O-CB 3.36Å; V112-A121 HydrophobicContact CG1-CB 4.18Å; V112-I405 HydrophobicContact CG1-CG2 4.16Å
113P98.6Very high98.5Very high12 Ų1236.8 Ų36.88%0.07821%0.214CC..THydrogen-bonded Turntrans-70.9-7.4-168.133.2-43.7000115.6R64 Q115 I405 S406 E407R64-P113 PolarHBondContact NH2-O 2.7Å; P113-Q115 PolarHBondContact O-N 3Å; P113-I405 WeakPolarHBondContact CD-O 3.25Å; P113-S406 WeakPolarHBondContact CG-O 3.47Å; P113-E407 HydrophobicContact CG-CB 3.97Å; P113-E407 HydrophobicContact CG-CG 3.81Å
114K97.9Very high98.5Very high88 Ų8829.5 Ų29.538%0.38318%0.179SC..THydrogen-bonded Turntrans-58.6-24.6164.361.6175.8-173.2165.90111.9D106 D108 V112D106-K114 HydrophobicContact CB-CD 4.21Å; D106-K114 WeakPolarHBondContact OD1-CD 3.33Å; D106-K114 WeakPolarHBondContact OD1-CE 3.37Å; D106-K114 IonicContact OD1-NZ 2.7Å; D106-K114 PolarHBondContact OD1-NZ 2.89Å; D108-K114 VanDerWaalsContact CG-CE 3.42Å; D108-K114 VanDerWaalsContact CG-NZ 3.29Å; D108-K114 WeakPolarHBondContact OD1-CE 3.49Å; D108-K114 IonicContact OD1-NZ 2.77Å; D108-K114 PolarHBondContact OD1-NZ 3.07Å; D108-K114 WeakPolarHBondContact OD2-CE 3.32Å; D108-K114 IonicContact OD2-NZ 3.17Å; D108-K114 PolarHBondContact OD2-NZ 3.14Å; V112-K114 HydrophobicContact CB-CG 4.46Å; V112-K114 HydrophobicContact CG2-CD 4.14Å; V112-K114 HydrophobicContact CG2-CG 3.71Å; V112-K114 PolarHBondContact O-N 2.9Å; V112-K114 VanDerWaalsContact O-N 3.13Å
115Q98.7Very high98.5Very high7 Ų727.8 Ų27.83%0.03316%0.163CC..SBendtrans-79119.4168.9-59156.2-300109.2R64 Y83 D106 V112 P113 F117 T118R64-Q115 PolarHBondContact NH2-O 3.18Å; R64-Q115 VanDerWaalsContact NH2-O 3.17Å; Y83-Q115 PolarHBondContact OH-NE2 3.02Å; Y83-Q115 VanDerWaalsContact OH-NE2 3.07Å; D106-Q115 PolarHBondContact O-NE2 3.07Å; V112-Q115 VanDerWaalsContact O-CB 3.28Å; V112-Q115 WeakPolarHBondContact O-CB 3.4Å; V112-Q115 WeakPolarHBondContact O-CG 3.4Å; V112-Q115 PolarHBondContact O-N 3.12Å; V112-Q115 PolarHBondContact O-OE1 2.77Å; P113-Q115 PolarHBondContact O-N 3Å; Q115-F117 HydrophobicContact CB-CD1 4.45Å; Q115-F117 HydrophobicContact CB-CD2 4.05Å; Q115-F117 HydrophobicContact CB-CE1 4.05Å; Q115-F117 HydrophobicContact CB-CE2 3.63Å; Q115-F117 HydrophobicContact CB-CG 4.45Å; Q115-F117 HydrophobicContact CB-CZ 3.63Å; Q115-F117 HydrophobicContact CG-CE2 4.03Å; Q115-F117 HydrophobicContact CG-CZ 3.82Å; Q115-F117 PolarHBondContact O-N 3.34Å; Q115-T118 PolarHBondContact O-N 2.95Å; Q115-T118 PolarHBondContact OE1-OG1 3.35Å
116A98.6Very high98.5Very high35 Ų3527.5 Ų27.529%0.28916%0.161SC..THydrogen-bonded Turntrans-55.4-30-178.500000113.2P63 R64 F91 T118P63-A116 HydrophobicContact CG-CB 4.34Å; R64-A116 VanDerWaalsContact CD-O 3.29Å; R64-A116 WeakPolarHBondContact CD-O 3.32Å; R64-A116 VanDerWaalsContact CG-O 3.24Å; R64-A116 WeakPolarHBondContact CG-O 3.35Å; R64-A116 PolarHBondContact NE-O 3.39Å; F91-A116 HydrophobicContact CE1-CB 4.29Å; F91-A116 HydrophobicContact CZ-CB 3.8Å; A116-T118 VanDerWaalsContact C-N 3.31Å; A116-T118 PolarHBondContact O-N 3.04Å
117F98.8Very high98.6Very high16 Ų1623.5 Ų23.57%0.0714%0.139CC..THydrogen-bonded Turntrans-82.3-2178.551.7-103.1000115.8P63 L82 Y83 W86 F91 L92 L107 Q115P63-F117 HydrophobicContact CB-CB 3.8Å; P63-F117 HydrophobicContact CG-CB 4.19Å; L82-F117 HydrophobicContact CD2-CD2 4.33Å; L82-F117 HydrophobicContact CD2-CE2 4.38Å; L82-F117 HydrophobicContact CG-CD2 4.33Å; L82-F117 HydrophobicContact CG-CE2 4.36Å; Y83-F117 AromaticContact CD1-CE2 3.73Å; Y83-F117 HydrophobicContact CD1-CE2 3.73Å; Y83-F117 AromaticContact CD1-CZ 3.78Å; Y83-F117 HydrophobicContact CD1-CZ 3.78Å; Y83-F117 AromaticContact CE1-CE2 3.91Å; Y83-F117 HydrophobicContact CE1-CE2 3.91Å; Y83-F117 HydrophobicContact CE1-CZ 4.18Å; W86-F117 HydrophobicContact CB-CD1 4.12Å; W86-F117 HydrophobicContact CB-CE1 4.37Å; W86-F117 AromaticContact CD1-CD1 3.89Å; W86-F117 AromaticContact CD1-CD2 3.58Å; W86-F117 AromaticContact CD1-CG 3.41Å; W86-F117 VanDerWaalsContact CD1-CG 3.41Å; W86-F117 HydrophobicContact CD2-CB 3.59Å; W86-F117 HydrophobicContact CD2-CD1 4.17Å; W86-F117 AromaticContact CD2-CG 3.98Å; W86-F117 HydrophobicContact CD2-CG 3.98Å; W86-F117 AromaticContact CE2-CG 3.87Å; W86-F117 HydrophobicContact CE3-CB 4.27Å; W86-F117 HydrophobicContact CG-CB 3.9Å; W86-F117 AromaticContact CG-CD1 3.79Å; W86-F117 HydrophobicContact CG-CD1 3.79Å; W86-F117 HydrophobicContact CG-CD2 4.3Å; W86-F117 HydrophobicContact CG-CE1 4.41Å; W86-F117 AromaticContact CG-CG 3.73Å; W86-F117 HydrophobicContact CG-CG 3.73Å; W86-F117 HydrophobicContact CH2-CB 4.19Å; W86-F117 HydrophobicContact CZ2-CB 3.5Å; W86-F117 AromaticContact NE1-CD2 3.78Å; W86-F117 AromaticContact NE1-CG 3.55Å; F91-F117 AromaticContact CD1-CD1 3.78Å; F91-F117 HydrophobicContact CD1-CD1 3.78Å; F91-F117 HydrophobicContact CD1-CE1 4.27Å; F91-F117 AromaticContact CE1-CD1 3.69Å; F91-F117 HydrophobicContact CE1-CD1 3.69Å; F91-F117 HydrophobicContact CE1-CE1 4.16Å; L92-F117 HydrophobicContact CD1-CE1 3.74Å; L92-F117 HydrophobicContact CD1-CZ 4.07Å; L92-F117 HydrophobicContact CD2-CE1 4.1Å; L92-F117 HydrophobicContact CG-CE1 4.05Å; L107-F117 HydrophobicContact CD2-CZ 4.27Å; Q115-F117 HydrophobicContact CB-CD1 4.45Å; Q115-F117 HydrophobicContact CB-CD2 4.05Å; Q115-F117 HydrophobicContact CB-CE1 4.05Å; Q115-F117 HydrophobicContact CB-CE2 3.63Å; Q115-F117 HydrophobicContact CB-CG 4.45Å; Q115-F117 HydrophobicContact CB-CZ 3.63Å; Q115-F117 HydrophobicContact CG-CE2 4.03Å; Q115-F117 HydrophobicContact CG-CZ 3.82Å; Q115-F117 PolarHBondContact O-N 3.34Å
118T98.9Very high98.6Very high7 Ų723.3 Ų23.34%0.04314%0.138CC..  trans-110122.3179.2-61.30000109R64 P111 V112 Q115 A116 V120R64-T118 PolarHBondContact NH2-O 3.27Å; P111-T118 HydrophobicContact CB-CG2 3.71Å; V112-T118 WeakPolarHBondContact O-CB 3.36Å; Q115-T118 PolarHBondContact O-N 2.95Å; Q115-T118 PolarHBondContact OE1-OG1 3.35Å; A116-T118 VanDerWaalsContact C-N 3.31Å; A116-T118 PolarHBondContact O-N 3.04Å; T118-V120 WeakPolarHBondContact CG2-O 3.47Å
119D98.9Very high98.6Very high18 Ų1820.8 Ų20.810%0.09613%0.125CC..SBendtrans-88.5-35.3174.7-72.3-61000112.2R64 M135 T378 R379R64-D119 IonicContact NE-OD1 2.8Å; D119-M135 HydrophobicContact CB-CE 3.63Å; D119-T378 HydrophobicContact CB-CG2 4.11Å; D119-R379 WeakPolarHBondContact OD1-CG 3.34Å; D119-R379 IonicContact OD1-CZ 3.34Å; D119-R379 IonicContact OD1-NE 3.67Å; D119-R379 PolarHBondContact OD1-NE 3.36Å; D119-R379 IonicContact OD1-NH2 2.72Å; D119-R379 IonicContact OD2-CZ 3.89Å; D119-R379 IonicContact OD2-NE 3.74Å; D119-R379 PolarHBondContact OD2-NE 2.92Å; D119-R379 IonicContact OD2-NH2 3.1Å; D119-R379 PolarHBondContact OD2-NH2 3.46Å
120V98.9Very high98.6Very high10 Ų1020.2 Ų20.26%0.06112%0.119CC..SBendtrans-138.8147.1-177.1-62.60000111.4V72 T118 T122 A131 M135 V374 T378V72-V120 HydrophobicContact CG1-CG2 4.09Å; T118-V120 WeakPolarHBondContact CG2-O 3.47Å; V120-T122 HydrophobicContact CG2-CG2 4Å; V120-A131 HydrophobicContact CG1-CB 4.15Å; V120-A131 HydrophobicContact CG2-CB 3.99Å; V120-M135 HydrophobicContact CG1-CE 4.01Å; V120-M135 HydrophobicContact CG2-CE 4.38Å; V120-V374 HydrophobicContact CG1-CG1 3.63Å; V120-T378 HydrophobicContact CG1-CG2 3.72Å
121A98.8Very high98.6Very high6 Ų617.3 Ų17.35%0.0511%0.106CC..  trans-82.8136.4173.400000111.1P111 V112 M402 I405 S406P111-A121 WeakPolarHBondContact O-CA 3.27Å; P111-A121 WeakPolarHBondContact O-CB 3.49Å; V112-A121 HydrophobicContact CG1-CB 4.18Å; A121-M402 VanDerWaalsContact C-CE 3.45Å; A121-M402 HydrophobicContact CB-CE 3.66Å; A121-M402 WeakPolarHBondContact O-CE 3.43Å; A121-I405 HydrophobicContact CB-CB 4.41Å; A121-I405 HydrophobicContact CB-CG2 3.72Å; A121-S406 WeakPolarHBondContact CB-OG 3.45Å; A121-S406 PolarHBondContact N-OG 2.94Å
122T98.7Very high98.6Very high3 Ų317.1 Ų17.12%0.01811%0.105CC..  trans-135.124.5-167.9550000113.7V72 L73 G76 V120 S124V72-T122 HydrophobicContact CG1-CG2 4.08Å; L73-T122 WeakPolarHBondContact O-CB 3.43Å; L73-T122 PolarHBondContact O-OG1 2.84Å; G76-T122 WeakPolarHBondContact CA-OG1 3.07Å; G76-T122 PolarHBondContact N-O 3.46Å; V120-T122 HydrophobicContact CG2-CG2 4Å; T122-S124 VanDerWaalsContact C-N 3.29Å; T122-S124 PolarHBondContact O-N 2.67Å
123G96.3Very high98.6Very high32 Ų3216 Ų1633%0.3310%0.098SC..SBendtrans-65.1-32.717700000113.3
124S98.6Very high98.6Very high27 Ų2715.4 Ų15.419%0.1899%0.094CC..SBendtrans-81.9121.7167.6-160.20000109.4T122 D398T122-S124 VanDerWaalsContact C-N 3.29Å; T122-S124 PolarHBondContact O-N 2.67Å; S124-D398 VanDerWaalsContact CB-OD2 3.32Å; S124-D398 WeakPolarHBondContact CB-OD2 3.34Å; S124-D398 PolarHBondContact OG-OD2 2.69Å
125L98.2Very high98.7Very high56 Ų5611.3 Ų11.329%0.2938%0.077SC..THydrogen-bonded Turntrans-69.1158-172.3-64.7174.6000111.6Q127 E157L125-Q127 PolarHBondContact O-N 3.38Å; L125-E157 HydrophobicContact CB-CB 4.12Å; L125-E157 HydrophobicContact CB-CG 4.1Å; L125-E157 HydrophobicContact CD1-CB 4.29Å; L125-E157 HydrophobicContact CD2-CB 4.27Å; L125-E157 HydrophobicContact CG-CB 4.46Å
126G98.6Very high98.7Very high1 Ų111 Ų111%0.018%0.075CC..THydrogen-bonded Turntrans82.4-7.3173.700000115E157 S162 V163G126-E157 PolarHBondContact N-OE1 2.74Å; G126-S162 PolarHBondContact O-OG 3.07Å; G126-V163 VanDerWaalsContact CA-CG2 3.49Å
127Q98.9Very high98.7Very high11 Ų1110 Ų105%0.0516%0.064CC..  trans-90.8-26.3-176.1-56-164.214.600114.4L125 L129 G130 A131 D398 Q399L125-Q127 PolarHBondContact O-N 3.38Å; Q127-L129 VanDerWaalsContact C-N 3.31Å; Q127-L129 PolarHBondContact O-N 2.91Å; Q127-G130 PolarHBondContact O-N 2.99Å; Q127-A131 PolarHBondContact O-N 3.31Å; Q127-D398 VanDerWaalsContact NE2-CG 3.3Å; Q127-D398 PolarHBondContact NE2-O 3.39Å; Q127-D398 PolarHBondContact NE2-OD2 3.2Å; Q127-Q399 HydrophobicContact CG-CG 4.22Å
128G98.9Very high98.7Very high1 Ų19.4 Ų9.41%0.016%0.061CC..Hα-helixtrans-65-32.8-172.500000113.4S74 A131 A132S74-G128 VanDerWaalsContact OG-CA 3.24Å; S74-G128 WeakPolarHBondContact OG-CA 3.48Å; S74-G128 PolarHBondContact OG-N 2.97Å; S74-G128 VanDerWaalsContact OG-N 3.08Å; G128-A131 PolarHBondContact O-N 2.74Å; G128-A132 WeakPolarHBondContact O-CB 3.48Å; G128-A132 PolarHBondContact O-N 3.1Å
129L98.9Very high98.7Very high0 Ų09 Ų90%06%0.059CC..Hα-helixtrans-68.2-36.4177.4-172.761.7000112.8Q127 A132 C133 C151 L153 V163 A166 M167 L178 A180 W211Q127-L129 VanDerWaalsContact C-N 3.31Å; Q127-L129 PolarHBondContact O-N 2.91Å; L129-A132 PolarHBondContact O-N 3Å; L129-C133 PolarHBondContact O-N 2.65Å; L129-C133 PolarHBondContact O-SG 3.22Å; L129-C151 HydrophobicContact CD1-CB 4.1Å; L129-L153 HydrophobicContact CB-CD2 4.1Å; L129-L153 HydrophobicContact CD1-CD1 4.44Å; L129-L153 HydrophobicContact CD2-CD2 4.26Å; L129-V163 HydrophobicContact CD2-CG1 3.88Å; L129-A166 HydrophobicContact CB-CB 4.12Å; L129-A166 HydrophobicContact CD2-CB 4.03Å; L129-A166 HydrophobicContact CG-CB 3.78Å; L129-M167 HydrophobicContact CD2-CG 3.9Å; L129-M167 HydrophobicContact CD2-SD 3.8Å; L129-L178 HydrophobicContact CD1-CD2 4.4Å; L129-A180 HydrophobicContact CD1-CB 4.14Å; L129-W211 HydrophobicContact CD1-CH2 4.21Å
130G98.9Very high98.7Very high2 Ų210.9 Ų10.92%0.0217%0.066CC..Hα-helixtrans-63.4-45.817300000111.6Q127 A132 C133 G134 N368 I372Q127-G130 PolarHBondContact O-N 2.99Å; G130-A132 VanDerWaalsContact C-N 3.34Å; G130-A132 PolarHBondContact O-N 3.32Å; G130-C133 WeakPolarHBondContact O-CB 3.19Å; G130-C133 PolarHBondContact O-N 3.22Å; G130-C133 VanDerWaalsContact O-N 3.15Å; G130-G134 PolarHBondContact O-N 3.24Å; G130-N368 WeakPolarHBondContact CA-OD1 2.93Å; G130-I372 WeakPolarHBondContact O-CD1 3.29Å
131A98.9Very high98.7Very high4 Ų414.2 Ų14.23%0.0338%0.078CC..Hα-helixtrans-61.5-41.7174.800000112.4V120 Q127 G128 C133 G134 M135 S371 G375V120-A131 HydrophobicContact CG1-CB 4.15Å; V120-A131 HydrophobicContact CG2-CB 3.99Å; Q127-A131 PolarHBondContact O-N 3.31Å; G128-A131 PolarHBondContact O-N 2.74Å; A131-C133 VanDerWaalsContact C-N 3.31Å; A131-C133 PolarHBondContact O-N 2.83Å; A131-G134 PolarHBondContact O-N 2.85Å; A131-G134 VanDerWaalsContact O-N 3.16Å; A131-M135 WeakPolarHBondContact O-CG 3.37Å; A131-M135 PolarHBondContact O-N 3.37Å; A131-S371 WeakPolarHBondContact CA-O 3.36Å; A131-G375 WeakPolarHBondContact O-CA 3.48Å
132A98.9Very high98.7Very high0 Ų016.1 Ų16.10%09%0.086CC..Hα-helixtrans-62.1-37.4174.900000112.3V72 G128 L129 G130 M135 A136 V149 C151 L178V72-A132 HydrophobicContact CB-CB 4.41Å; V72-A132 HydrophobicContact CG2-CB 4.09Å; G128-A132 WeakPolarHBondContact O-CB 3.48Å; G128-A132 PolarHBondContact O-N 3.1Å; L129-A132 PolarHBondContact O-N 3Å; G130-A132 VanDerWaalsContact C-N 3.34Å; G130-A132 PolarHBondContact O-N 3.32Å; A132-M135 PolarHBondContact O-N 3.29Å; A132-A136 WeakPolarHBondContact O-CB 3.47Å; A132-A136 PolarHBondContact O-N 3.26Å; A132-V149 HydrophobicContact CB-CG1 3.76Å; A132-C151 HydrophobicContact CB-CB 3.76Å; A132-L178 HydrophobicContact CB-CD1 3.92Å
133C99Very high98.7Very high0 Ų016.5 Ų16.50%09%0.087CC..Hα-helixtrans-62.4-42172.6-710000111.7L129 G130 A131 A136 Y137 F169 L175 L178 I372L129-C133 PolarHBondContact O-N 2.65Å; L129-C133 PolarHBondContact O-SG 3.22Å; G130-C133 WeakPolarHBondContact O-CB 3.19Å; G130-C133 PolarHBondContact O-N 3.22Å; G130-C133 VanDerWaalsContact O-N 3.15Å; A131-C133 VanDerWaalsContact C-N 3.31Å; A131-C133 PolarHBondContact O-N 2.83Å; C133-A136 PolarHBondContact O-N 2.95Å; C133-Y137 VanDerWaalsContact O-CB 3.24Å; C133-Y137 WeakPolarHBondContact O-CB 3.24Å; C133-Y137 PolarHBondContact O-N 3.46Å; C133-F169 HydrophobicContact CB-CD1 3.83Å; C133-F169 HydrophobicContact CB-CE1 4.13Å; C133-L175 HydrophobicContact CB-CD1 4.04Å; C133-L178 VanDerWaalsContact SG-CD2 3.52Å; C133-I372 HydrophobicContact CB-CD1 3.27Å
134G98.9Very high98.8Very high0 Ų022.8 Ų22.80%011%0.106CC..Hα-helixtrans-62.3-4217500000113.1G130 A131 T138 I372 C376G130-G134 PolarHBondContact O-N 3.24Å; A131-G134 PolarHBondContact O-N 2.85Å; A131-G134 VanDerWaalsContact O-N 3.16Å; G134-T138 WeakPolarHBondContact O-CB 3.39Å; G134-T138 PolarHBondContact O-N 3.3Å; G134-T138 PolarHBondContact O-OG1 2.87Å; G134-I372 WeakPolarHBondContact CA-O 3.21Å; G134-C376 PolarHBondContact O-SG 2.83Å
135M99Very high98.8Very high2 Ų222.1 Ų22.11%0.0110%0.102CC..Hα-helixtrans-63.7-44174-64.7170.7-172.200111.8R70 V72 D119 V120 A131 A132 T138 G139 V149 T378R70-M135 HydrophobicContact CB-SD 4Å; R70-M135 HydrophobicContact CG-SD 3.85Å; V72-M135 HydrophobicContact CG2-CE 4.09Å; V72-M135 HydrophobicContact CG2-SD 3.8Å; D119-M135 HydrophobicContact CB-CE 3.63Å; V120-M135 HydrophobicContact CG1-CE 4.01Å; V120-M135 HydrophobicContact CG2-CE 4.38Å; A131-M135 WeakPolarHBondContact O-CG 3.37Å; A131-M135 PolarHBondContact O-N 3.37Å; A132-M135 PolarHBondContact O-N 3.29Å; M135-T138 PolarHBondContact O-N 3.48Å; M135-G139 PolarHBondContact O-N 2.79Å; M135-V149 HydrophobicContact CB-CG1 4.27Å; M135-V149 HydrophobicContact CB-CG2 3.98Å; M135-T378 HydrophobicContact CE-CG2 3.6Å
136A98.9Very high98.8Very high0 Ų022.1 Ų22.10%011%0.107CC..Hα-helixtrans-68.9-41.5-179.300000111.8A132 C133 T138 G139 K140 V149 L175 N177 L178A132-A136 WeakPolarHBondContact O-CB 3.47Å; A132-A136 PolarHBondContact O-N 3.26Å; C133-A136 PolarHBondContact O-N 2.95Å; A136-T138 VanDerWaalsContact C-N 3.32Å; A136-T138 PolarHBondContact O-N 2.93Å; A136-G139 PolarHBondContact O-N 3Å; A136-K140 WeakPolarHBondContact O-CB 3.29Å; A136-K140 PolarHBondContact O-N 3.38Å; A136-V149 HydrophobicContact CB-CB 4.14Å; A136-V149 HydrophobicContact CB-CG2 3.8Å; A136-L175 HydrophobicContact CB-CB 4.42Å; A136-L175 HydrophobicContact CB-CD1 4.1Å; A136-N177 PolarHBondContact O-ND2 3.42Å; A136-N177 PolarHBondContact O-OD1 2.83Å; A136-L178 HydrophobicContact CB-CB 3.92Å; A136-L178 HydrophobicContact CB-CD1 4.32Å
137Y98.9Very high98.8Very high15 Ų1522.2 Ų22.26%0.05911%0.107CC..Hα-helixtrans-57.7-47.9172.4-170.6-73.6000110.6C133 G139 K140 Y141 F142 F169 Y173 L175 I360C133-Y137 VanDerWaalsContact O-CB 3.24Å; C133-Y137 WeakPolarHBondContact O-CB 3.24Å; C133-Y137 PolarHBondContact O-N 3.46Å; Y137-G139 PolarHBondContact O-N 2.81Å; Y137-K140 PolarHBondContact O-N 3.07Å; Y137-Y141 AromaticContact CD1-CD2 3.9Å; Y137-Y141 HydrophobicContact CD1-CD2 3.9Å; Y137-Y141 AromaticContact CD2-CD2 3.72Å; Y137-Y141 HydrophobicContact CD2-CD2 3.72Å; Y137-Y141 HydrophobicContact CD2-CE2 4.01Å; Y137-Y141 AromaticContact CE1-CD2 3.85Å; Y137-Y141 HydrophobicContact CE1-CD2 3.85Å; Y137-Y141 HydrophobicContact CE1-CG 4.18Å; Y137-Y141 AromaticContact CE2-CD2 3.71Å; Y137-Y141 HydrophobicContact CE2-CD2 3.71Å; Y137-Y141 HydrophobicContact CE2-CE2 4.01Å; Y137-Y141 AromaticContact CG-CD2 3.81Å; Y137-Y141 HydrophobicContact CG-CD2 3.81Å; Y137-Y141 HydrophobicContact CG-CE2 4.47Å; Y137-Y141 AromaticContact CZ-CD2 3.76Å; Y137-Y141 WeakPolarHBondContact O-CB 3.23Å; Y137-Y141 PolarHBondContact O-N 2.58Å; Y137-F142 HydrophobicContact CD1-CD2 4.25Å; Y137-F142 AromaticContact CD1-CE2 3.7Å; Y137-F142 HydrophobicContact CD1-CE2 3.7Å; Y137-F142 AromaticContact CD1-CZ 3.95Å; Y137-F142 HydrophobicContact CD1-CZ 3.95Å; Y137-F142 HydrophobicContact CE1-CD2 4.45Å; Y137-F142 AromaticContact CE1-CE1 3.95Å; Y137-F142 HydrophobicContact CE1-CE1 3.95Å; Y137-F142 AromaticContact CE1-CE2 3.71Å; Y137-F142 HydrophobicContact CE1-CE2 3.71Å; Y137-F142 AromaticContact CE1-CZ 3.43Å; Y137-F142 HydrophobicContact CE1-CZ 3.43Å; Y137-F142 VanDerWaalsContact CE1-CZ 3.43Å; Y137-F169 HydrophobicContact CD2-CE1 4.01Å; Y137-F169 AromaticContact CD2-CZ 3.8Å; Y137-F169 HydrophobicContact CD2-CZ 3.8Å; Y137-F169 HydrophobicContact CE2-CZ 4.31Å; Y137-Y173 HydrophobicContact CD2-CD1 4.19Å; Y137-Y173 HydrophobicContact CD2-CG 4.07Å; Y137-Y173 AromaticContact CE2-CD1 3.46Å; Y137-Y173 HydrophobicContact CE2-CD1 3.46Å; Y137-Y173 VanDerWaalsContact CE2-CD1 3.46Å; Y137-Y173 HydrophobicContact CE2-CD2 4.41Å; Y137-Y173 AromaticContact CE2-CE1 3.75Å; Y137-Y173 HydrophobicContact CE2-CE1 3.75Å; Y137-Y173 AromaticContact CE2-CG 3.79Å; Y137-Y173 HydrophobicContact CE2-CG 3.79Å; Y137-L175 HydrophobicContact CD2-CD2 4.34Å; Y137-I360 HydrophobicContact CD1-CD1 3.85Å; Y137-I360 HydrophobicContact CE1-CD1 3.67Å; Y137-I360 HydrophobicContact CE1-CG1 3.91Å; Y137-I360 HydrophobicContact CE2-CD1 4.44Å; Y137-I360 HydrophobicContact CE2-CG1 4.43Å; Y137-I360 HydrophobicContact CE2-CG2 4.19Å; Y137-I360 HydrophobicContact CG-CD1 4.37Å
138T98.9Very high98.8Very high2 Ų223.9 Ų23.91%0.01211%0.113CC..Iπ-helixtrans-59.3-46.9177.5-62.90000111.2G134 M135 A136 K140 F142 D143 C376 R381G134-T138 WeakPolarHBondContact O-CB 3.39Å; G134-T138 PolarHBondContact O-N 3.3Å; G134-T138 PolarHBondContact O-OG1 2.87Å; M135-T138 PolarHBondContact O-N 3.48Å; A136-T138 VanDerWaalsContact C-N 3.32Å; A136-T138 PolarHBondContact O-N 2.93Å; T138-K140 VanDerWaalsContact C-N 3.32Å; T138-K140 PolarHBondContact O-N 2.93Å; T138-F142 HydrophobicContact CG2-CB 4.31Å; T138-F142 HydrophobicContact CG2-CD2 4.2Å; T138-F142 CarbonylContact O-C 3.37Å; T138-F142 WeakPolarHBondContact O-CA 3.49Å; T138-F142 WeakPolarHBondContact O-CB 3.37Å; T138-F142 PolarHBondContact O-N 2.93Å; T138-D143 PolarHBondContact O-N 3.32Å; T138-C376 WeakPolarHBondContact OG1-CA 3.04Å; T138-C376 PolarHBondContact OG1-SG 2.88Å; T138-C376 VanDerWaalsContact OG1-SG 3.4Å; T138-R381 HydrophobicContact CG2-CB 3.74Å; T138-R381 HydrophobicContact CG2-CG 4.14Å
139G98.9Very high98.8Very high0 Ų023.9 Ų23.90%011%0.112CC..Iπ-helixtrans-58.6-42.4177.200000113.5M135 A136 Y137 K144 A145 Y147M135-G139 PolarHBondContact O-N 2.79Å; A136-G139 PolarHBondContact O-N 3Å; Y137-G139 PolarHBondContact O-N 2.81Å; G139-K144 CarbonylContact O-C 3.51Å; G139-K144 WeakPolarHBondContact O-CA 3.37Å; G139-K144 PolarHBondContact O-N 2.7Å; G139-A145 PolarHBondContact O-N 2.81Å; G139-Y147 WeakPolarHBondContact CA-OH 3.34Å; G139-Y147 PolarHBondContact N-OH 2.82Å
140K98.8Very high98.8Very high57 Ų5724.1 Ų24.125%0.24811%0.113CC..Iπ-helixtrans-78.8-45.9-175.4-177.1165.2-1781540113.3A136 Y137 T138 K174 D176A136-K140 WeakPolarHBondContact O-CB 3.29Å; A136-K140 PolarHBondContact O-N 3.38Å; Y137-K140 PolarHBondContact O-N 3.07Å; T138-K140 VanDerWaalsContact C-N 3.32Å; T138-K140 PolarHBondContact O-N 2.93Å; K140-K174 PolarHBondContact NZ-O 3.15Å; K140-D176 IonicContact NZ-OD1 3.44Å; K140-D176 PolarHBondContact NZ-OD1 3.26Å; K140-D176 IonicContact NZ-OD2 3.58Å; K140-D176 PolarHBondContact NZ-OD2 3.3Å
141Y98.9Very high98.8Very high79 Ų7924 Ų2431%0.3111%0.112SC..Iπ-helixtrans-105.2-30.6-166.5-63.2-65.5000113.8Y137 K144 Y173 L175Y137-Y141 AromaticContact CD1-CD2 3.9Å; Y137-Y141 HydrophobicContact CD1-CD2 3.9Å; Y137-Y141 AromaticContact CD2-CD2 3.72Å; Y137-Y141 HydrophobicContact CD2-CD2 3.72Å; Y137-Y141 HydrophobicContact CD2-CE2 4.01Å; Y137-Y141 AromaticContact CE1-CD2 3.85Å; Y137-Y141 HydrophobicContact CE1-CD2 3.85Å; Y137-Y141 HydrophobicContact CE1-CG 4.18Å; Y137-Y141 AromaticContact CE2-CD2 3.71Å; Y137-Y141 HydrophobicContact CE2-CD2 3.71Å; Y137-Y141 HydrophobicContact CE2-CE2 4.01Å; Y137-Y141 AromaticContact CG-CD2 3.81Å; Y137-Y141 HydrophobicContact CG-CD2 3.81Å; Y137-Y141 HydrophobicContact CG-CE2 4.47Å; Y137-Y141 AromaticContact CZ-CD2 3.76Å; Y137-Y141 WeakPolarHBondContact O-CB 3.23Å; Y137-Y141 PolarHBondContact O-N 2.58Å; Y141-K144 WeakPolarHBondContact O-CE 3.32Å; Y141-Y173 WeakPolarHBondContact CE2-O 3.43Å; Y141-Y173 PolarHBondContact OH-O 3.43Å; Y141-L175 HydrophobicContact CE2-CD2 3.89Å
142F98.7Very high98.8Very high46 Ų4623.8 Ų23.820%0.20211%0.111CC..Iπ-helixtrans-101.2-62.5-178.1-56.7-38.9000112Y137 T138 K144 I336 D357 R358 I360 T382Y137-F142 HydrophobicContact CD1-CD2 4.25Å; Y137-F142 AromaticContact CD1-CE2 3.7Å; Y137-F142 HydrophobicContact CD1-CE2 3.7Å; Y137-F142 AromaticContact CD1-CZ 3.95Å; Y137-F142 HydrophobicContact CD1-CZ 3.95Å; Y137-F142 HydrophobicContact CE1-CD2 4.45Å; Y137-F142 AromaticContact CE1-CE1 3.95Å; Y137-F142 HydrophobicContact CE1-CE1 3.95Å; Y137-F142 AromaticContact CE1-CE2 3.71Å; Y137-F142 HydrophobicContact CE1-CE2 3.71Å; Y137-F142 AromaticContact CE1-CZ 3.43Å; Y137-F142 HydrophobicContact CE1-CZ 3.43Å; Y137-F142 VanDerWaalsContact CE1-CZ 3.43Å; T138-F142 HydrophobicContact CG2-CB 4.31Å; T138-F142 HydrophobicContact CG2-CD2 4.2Å; T138-F142 CarbonylContact O-C 3.37Å; T138-F142 WeakPolarHBondContact O-CA 3.49Å; T138-F142 WeakPolarHBondContact O-CB 3.37Å; T138-F142 PolarHBondContact O-N 2.93Å; F142-K144 VanDerWaalsContact C-N 3.31Å; F142-K144 PolarHBondContact O-N 3.26Å; F142-I336 HydrophobicContact CE1-CG2 4.18Å; F142-I336 HydrophobicContact CE2-CD1 3.79Å; F142-I336 HydrophobicContact CE2-CG2 3.95Å; F142-I336 HydrophobicContact CZ-CB 4.3Å; F142-I336 HydrophobicContact CZ-CD1 4.22Å; F142-I336 HydrophobicContact CZ-CG2 3.7Å; F142-D357 WeakPolarHBondContact CE1-O 3.34Å; F142-R358 HydrophobicContact CE1-CG 4.47Å; F142-I360 HydrophobicContact CE2-CD1 4.22Å; F142-I360 HydrophobicContact CZ-CD1 4.11Å; F142-I360 HydrophobicContact CZ-CG1 4.4Å; F142-T382 HydrophobicContact CD2-CG2 3.83Å; F142-T382 HydrophobicContact CE2-CG2 4.25Å
143D98.8Very high98.8Very high11 Ų1123.8 Ų23.86%0.05911%0.111CC..SBendtrans-68.8-32.9179.3-72.6-23.5000111.5T138 A145 Y147 P294 R381T138-D143 PolarHBondContact O-N 3.32Å; D143-A145 HydrophobicContact CB-CB 3.99Å; D143-A145 PolarHBondContact O-N 2.88Å; D143-Y147 HydrophobicContact CB-CE1 4.11Å; D143-Y147 WeakPolarHBondContact OD2-CE1 3.4Å; D143-Y147 PolarHBondContact OD2-OH 2.81Å; D143-P294 HydrophobicContact CB-CG 4.5Å; D143-P294 WeakPolarHBondContact O-CD 3.5Å; D143-R381 IonicContact OD1-CZ 3.17Å; D143-R381 VanDerWaalsContact OD1-CZ 3.29Å; D143-R381 IonicContact OD1-NE 2.71Å; D143-R381 PolarHBondContact OD1-NE 3.38Å; D143-R381 IonicContact OD1-NH2 3.2Å; D143-R381 PolarHBondContact OD1-NH2 2.84Å; D143-R381 IonicContact OD2-CZ 3.95Å; D143-R381 IonicContact OD2-NE 2.87Å; D143-R381 PolarHBondContact OD2-NE 2.99Å; D143-R381 IonicContact OD2-NH2 3.23Å
144K98.7Very high98.8Very high164 Ų16424.1 Ų24.171%0.71311%0.114SC*.  trans51.540.1-173.7-58.5176.1-176.6174.10111.9G139 Y141 F142G139-K144 CarbonylContact O-C 3.51Å; G139-K144 WeakPolarHBondContact O-CA 3.37Å; G139-K144 PolarHBondContact O-N 2.7Å; Y141-K144 WeakPolarHBondContact O-CE 3.32Å; F142-K144 VanDerWaalsContact C-N 3.31Å; F142-K144 PolarHBondContact O-N 3.26Å
145A98.6Very high98.8Very high14 Ų1424.4 Ų24.412%0.11612%0.115CC..  trans-101.5162.9-174.100000111.3G139 D143 Y147 D292 A293G139-A145 PolarHBondContact O-N 2.81Å; D143-A145 HydrophobicContact CB-CB 3.99Å; D143-A145 PolarHBondContact O-N 2.88Å; A145-Y147 VanDerWaalsContact C-N 3.3Å; A145-Y147 HydrophobicContact CB-CD1 3.52Å; A145-Y147 HydrophobicContact CB-CE1 3.66Å; A145-Y147 PolarHBondContact O-N 3.16Å; A145-D292 WeakPolarHBondContact CB-OD1 3.5Å; A145-A293 HydrophobicContact CB-CB 3.91Å
146S98.4Very high98.8Very high56 Ų5625.5 Ų25.539%0.39213%0.127SC..SBendtrans-79.2-9.7-176.1550000114.7D292S146-D292 WeakPolarHBondContact CB-OD2 3.49Å; S146-D292 PolarHBondContact N-OD1 3.49Å; S146-D292 PolarHBondContact N-OD2 3.03Å; S146-D292 VanDerWaalsContact OG-CG 3.25Å; S146-D292 PolarHBondContact OG-OD1 2.71Å; S146-D292 PolarHBondContact OG-OD2 2.96Å
147Y98.8Very high98.8Very high3 Ų325.8 Ų25.81%0.01213%0.129CC..  trans-61.4143.7-175.968.1-104.3000112.5R70 G139 D143 A145 V149R70-Y147 VanDerWaalsContact NH1-CD1 3.31Å; R70-Y147 VanDerWaalsContact NH1-CG 3.33Å; G139-Y147 WeakPolarHBondContact CA-OH 3.34Å; G139-Y147 PolarHBondContact N-OH 2.82Å; D143-Y147 HydrophobicContact CB-CE1 4.11Å; D143-Y147 WeakPolarHBondContact OD2-CE1 3.4Å; D143-Y147 PolarHBondContact OD2-OH 2.81Å; A145-Y147 VanDerWaalsContact C-N 3.3Å; A145-Y147 HydrophobicContact CB-CD1 3.52Å; A145-Y147 HydrophobicContact CB-CE1 3.66Å; A145-Y147 PolarHBondContact O-N 3.16Å; Y147-V149 HydrophobicContact CD2-CG2 4.4Å; Y147-V149 HydrophobicContact CE2-CG2 4.4Å
148R98.8Very high98.8Very high46 Ų4625.6 Ų25.617%0.17413%0.129CC..  trans-105.2162175.3-65.4176.560.672.5-0.8110.7D69 R70 Y150 D176 N177D69-R148 CarbonylContact C-O 3.54Å; D69-R148 WeakPolarHBondContact CA-O 3.47Å; D69-R148 PolarHBondContact OD1-N 2.8Å; R70-R148 PolarHBondContact N-O 3.17Å; R148-Y150 HydrophobicContact CB-CE2 3.73Å; R148-Y150 WeakPolarHBondContact CD-OH 3.37Å; R148-Y150 PolarHBondContact NE-OH 2.88Å; R148-D176 PolarHBondContact NH1-O 3.43Å; R148-D176 VanDerWaalsContact NH1-O 3.13Å; R148-N177 WeakPolarHBondContact CA-O 3.3Å
149V98.9Very high98.8Very high0 Ų029.3 Ų29.30%015%0.154CC..EExtended strand (participates in β ladder)trans-123.6127.7178.7-171.50000109.5R70 A132 M135 A136 Y147 N177 L178 V179R70-V149 HydrophobicContact CB-CB 4.39Å; R70-V149 HydrophobicContact CB-CG1 3.99Å; R70-V149 HydrophobicContact CB-CG2 4.13Å; R70-V149 WeakPolarHBondContact O-CA 3.35Å; A132-V149 HydrophobicContact CB-CG1 3.76Å; M135-V149 HydrophobicContact CB-CG1 4.27Å; M135-V149 HydrophobicContact CB-CG2 3.98Å; A136-V149 HydrophobicContact CB-CB 4.14Å; A136-V149 HydrophobicContact CB-CG2 3.8Å; Y147-V149 HydrophobicContact CD2-CG2 4.4Å; Y147-V149 HydrophobicContact CE2-CG2 4.4Å; V149-N177 PolarHBondContact N-O 3.47Å; V149-L178 HydrophobicContact CB-CD1 3.93Å; V149-L178 HydrophobicContact CG1-CD1 3.96Å; V149-L178 WeakPolarHBondContact O-CA 3.44Å; V149-V179 PolarHBondContact O-N 3.39Å
150Y98.9Very high98.8Very high5 Ų533.4 Ų33.42%0.0217%0.174CC..EExtended strand (participates in β ladder)trans-117.8126.8179-59.8-90.5000109.1L51 T55 M56 D69 R70 F71 V72 R148 V179 I181 F228L51-Y150 HydrophobicContact CD2-CD1 3.55Å; L51-Y150 HydrophobicContact CD2-CE1 3.99Å; L51-Y150 HydrophobicContact CD2-CG 3.98Å; T55-Y150 HydrophobicContact CG2-CE1 3.96Å; T55-Y150 WeakPolarHBondContact CG2-OH 3.41Å; M56-Y150 HydrophobicContact CG-CD2 3.72Å; M56-Y150 HydrophobicContact CG-CE2 3.72Å; M56-Y150 HydrophobicContact CG-CG 4.43Å; M56-Y150 HydrophobicContact SD-CD2 3.78Å; M56-Y150 HydrophobicContact SD-CE2 4.38Å; M56-Y150 HydrophobicContact SD-CG 4.36Å; D69-Y150 HydrophobicContact CB-CE2 4.23Å; R70-Y150 PolarHBondContact O-N 3.15Å; F71-Y150 CarbonylContact C-O 3.56Å; F71-Y150 WeakPolarHBondContact CA-O 3.31Å; V72-Y150 PolarHBondContact N-O 3.25Å; R148-Y150 HydrophobicContact CB-CE2 3.73Å; R148-Y150 WeakPolarHBondContact CD-OH 3.37Å; R148-Y150 PolarHBondContact NE-OH 2.88Å; Y150-V179 CarbonylContact C-O 3.54Å; Y150-V179 WeakPolarHBondContact CA-O 3.48Å; Y150-V179 HydrophobicContact CD1-CB 3.71Å; Y150-V179 HydrophobicContact CD1-CG1 4.23Å; Y150-V179 HydrophobicContact CD1-CG2 4.01Å; Y150-V179 HydrophobicContact CE1-CB 4.04Å; Y150-V179 HydrophobicContact CE1-CG2 3.8Å; Y150-I181 HydrophobicContact CD1-CD1 4.41Å; Y150-F228 HydrophobicContact CE1-CD1 4.44Å
151C98.9Very high98.8Very high0 Ų032.6 Ų32.60%018%0.182CC..EExtended strand (participates in β ladder)trans-122.7123.7178.9-170.60000110.1V72 L129 A132 L153 V179 A180 I181V72-C151 HydrophobicContact CB-CB 4.44Å; V72-C151 WeakPolarHBondContact O-CA 3.29Å; L129-C151 HydrophobicContact CD1-CB 4.1Å; A132-C151 HydrophobicContact CB-CB 3.76Å; C151-L153 HydrophobicContact CB-CD1 4.29Å; C151-V179 PolarHBondContact N-O 3.28Å; C151-A180 CarbonylContact O-C 3.6Å; C151-A180 WeakPolarHBondContact O-CA 3.44Å; C151-I181 WeakPolarHBondContact O-CD1 3.41Å; C151-I181 PolarHBondContact O-N 3.46Å
152L98.9Very high98.8Very high0 Ų029 Ų290%017%0.169CC..EExtended strand (participates in β ladder)trans-101.2120.2178.4176.860.8000110.4A44 I47 M48 F71 V72 L73 S74 K75 I181 D183A44-L152 HydrophobicContact CB-CD2 3.9Å; I47-L152 HydrophobicContact CD1-CD1 4.44Å; I47-L152 HydrophobicContact CG2-CD1 4.17Å; M48-L152 HydrophobicContact SD-CD2 3.91Å; F71-L152 HydrophobicContact CE2-CB 4.09Å; F71-L152 HydrophobicContact CZ-CB 3.98Å; F71-L152 HydrophobicContact CZ-CD2 4.31Å; V72-L152 PolarHBondContact O-N 3.38Å; L73-L152 HydrophobicContact CD1-CB 4.24Å; L73-L152 HydrophobicContact CD1-CD2 3.73Å; L73-L152 HydrophobicContact CD1-CG 4.19Å; S74-L152 WeakPolarHBondContact CA-O 3.34Å; S74-L152 VanDerWaalsContact CB-O 3.22Å; S74-L152 WeakPolarHBondContact CB-O 3.49Å; S74-L152 PolarHBondContact N-O 2.84Å; K75-L152 HydrophobicContact CD-CD2 4.47Å; K75-L152 HydrophobicContact CD-CG 4.14Å; K75-L152 HydrophobicContact CG-CG 4.16Å; K75-L152 PolarHBondContact N-O 3.04Å; L152-I181 HydrophobicContact CD1-CB 3.91Å; L152-I181 HydrophobicContact CD1-CG2 3.9Å; L152-D183 HydrophobicContact CD1-CB 4.14Å
153L98.9Very high98.8Very high0 Ų027 Ų270%016%0.16CC..EExtended strand (participates in β ladder)trans-116.4151.1-178.9-6191.7000111.2L129 C151 E157 L158 V163 A180 I181 L182 D183L129-L153 HydrophobicContact CB-CD2 4.1Å; L129-L153 HydrophobicContact CD1-CD1 4.44Å; L129-L153 HydrophobicContact CD2-CD2 4.26Å; C151-L153 HydrophobicContact CB-CD1 4.29Å; L153-E157 VanDerWaalsContact CA-OE2 3.29Å; L153-E157 WeakPolarHBondContact CA-OE2 2.9Å; L153-E157 HydrophobicContact CD2-CG 4.49Å; L153-L158 HydrophobicContact CB-CD2 4.04Å; L153-L158 HydrophobicContact CD2-CD2 3.74Å; L153-V163 HydrophobicContact CD2-CG1 3.84Å; L153-V163 HydrophobicContact CD2-CG2 4.09Å; L153-A180 HydrophobicContact CD1-CB 4.11Å; L153-I181 PolarHBondContact N-O 3.03Å; L153-L182 HydrophobicContact CB-CD2 4.3Å; L153-L182 HydrophobicContact CD1-CD2 4.14Å; L153-D183 WeakPolarHBondContact O-CB 3.23Å; L153-D183 PolarHBondContact O-N 3.1Å
154G98.8Very high98.8Very high6 Ų628.6 Ų28.66%0.06217%0.165CC..EExtended strand (participates in β ladder)trans-86.7155.2165.800000112E157 L158G154-E157 PolarHBondContact N-OE2 3.35Å; G154-E157 WeakPolarHBondContact O-CB 3.41Å; G154-E157 PolarHBondContact O-N 2.98Å; G154-L158 WeakPolarHBondContact O-CG 3.35Å; G154-L158 PolarHBondContact O-N 3.34Å
155D98.7Very high98.8Very high6 Ų622.9 Ų22.93%0.03214%0.141CC..THydrogen-bonded Turntrans-63.5-44.7175.452.5-6.8000114.6E157 L158 D183 I184 N185 R186 L187 A193D155-E157 PolarHBondContact O-N 3.48Å; D155-L158 WeakPolarHBondContact O-CB 3.44Å; D155-L158 PolarHBondContact O-N 2.94Å; D155-L158 VanDerWaalsContact O-N 3.08Å; D155-D183 PolarHBondContact N-O 3.28Å; D155-I184 HydrophobicContact CB-CD1 3.79Å; D155-I184 HydrophobicContact CB-CG2 4.37Å; D155-N185 PolarHBondContact OD2-N 2.75Å; D155-R186 WeakPolarHBondContact OD2-CA 3.35Å; D155-R186 PolarHBondContact OD2-N 3.04Å; D155-L187 PolarHBondContact OD2-N 2.96Å; D155-A193 HydrophobicContact CB-CB 4.16Å
156G98.4Very high98.8Very high26 Ų2622.2 Ų22.227%0.26814%0.135SC..G310 helixtrans-59.8-35.8174.300000112.5L158 S159G156-L158 PolarHBondContact O-N 2.97Å; G156-S159 WeakPolarHBondContact O-CB 3.33Å; G156-S159 PolarHBondContact O-N 3.1Å; G156-S159 PolarHBondContact O-OG 3.28Å
157E98.8Very high98.9Very high5 Ų519.7 Ų19.72%0.02312%0.118CC..G310 helixtrans-63.6-26.2175.8156.3177.3-144.800112.7S74 K75 L125 G126 L153 G154 D155 S159 E160 V163S74-E157 WeakPolarHBondContact CB-OE1 3.39Å; S74-E157 PolarHBondContact OG-OE1 3.34Å; K75-E157 PolarHBondContact N-OE2 3.03Å; L125-E157 HydrophobicContact CB-CB 4.12Å; L125-E157 HydrophobicContact CB-CG 4.1Å; L125-E157 HydrophobicContact CD1-CB 4.29Å; L125-E157 HydrophobicContact CD2-CB 4.27Å; L125-E157 HydrophobicContact CG-CB 4.46Å; G126-E157 PolarHBondContact N-OE1 2.74Å; L153-E157 VanDerWaalsContact CA-OE2 3.29Å; L153-E157 WeakPolarHBondContact CA-OE2 2.9Å; L153-E157 HydrophobicContact CD2-CG 4.49Å; G154-E157 PolarHBondContact N-OE2 3.35Å; G154-E157 WeakPolarHBondContact O-CB 3.41Å; G154-E157 PolarHBondContact O-N 2.98Å; D155-E157 PolarHBondContact O-N 3.48Å; E157-S159 PolarHBondContact O-N 2.75Å; E157-E160 WeakPolarHBondContact O-CB 3.5Å; E157-E160 PolarHBondContact O-N 3.29Å; E157-V163 HydrophobicContact CG-CG2 4.39Å
158L98.8Very high98.9Very high12 Ų1221 Ų216%0.06313%0.129CC..G310 helixtrans-68.6-1.1175.7-50.8178.3000113.4L153 G154 D155 G156 E160 V163 W164 L182 I184 Y202L153-L158 HydrophobicContact CB-CD2 4.04Å; L153-L158 HydrophobicContact CD2-CD2 3.74Å; G154-L158 WeakPolarHBondContact O-CG 3.35Å; G154-L158 PolarHBondContact O-N 3.34Å; D155-L158 WeakPolarHBondContact O-CB 3.44Å; D155-L158 PolarHBondContact O-N 2.94Å; D155-L158 VanDerWaalsContact O-N 3.08Å; G156-L158 PolarHBondContact O-N 2.97Å; L158-E160 VanDerWaalsContact C-N 3.32Å; L158-V163 HydrophobicContact CD2-CG1 3.89Å; L158-W164 PolarHBondContact O-NE1 3.22Å; L158-L182 HydrophobicContact CD1-CB 4.33Å; L158-L182 HydrophobicContact CD1-CD1 3.92Å; L158-L182 HydrophobicContact CD1-CD2 4.24Å; L158-L182 HydrophobicContact CD1-CG 4.4Å; L158-L182 HydrophobicContact CD2-CD2 3.94Å; L158-I184 HydrophobicContact CD1-CD1 4.02Å; L158-Y202 HydrophobicContact CD1-CD1 3.92Å; L158-Y202 HydrophobicContact CD1-CE1 3.76Å
159S98.8Very high98.9Very high79 Ų7919 Ų1955%0.55212%0.121SC*.G310 helixtrans-79.5-17.5170.4-500000112.4G156 E157 G161G156-S159 WeakPolarHBondContact O-CB 3.33Å; G156-S159 PolarHBondContact O-N 3.1Å; G156-S159 PolarHBondContact O-OG 3.28Å; E157-S159 PolarHBondContact O-N 2.75Å; S159-G161 PolarHBondContact O-N 3.33Å
160E98.9Very high98.9Very high86 Ų8619 Ų1940%0.40212%0.121SC..SBendtrans-70.2126.2175.8-69.9-65.8168.700110.9E157 L158 S162 V163E157-E160 WeakPolarHBondContact O-CB 3.5Å; E157-E160 PolarHBondContact O-N 3.29Å; L158-E160 VanDerWaalsContact C-N 3.32Å; E160-S162 PolarHBondContact O-N 3.16Å; E160-V163 HydrophobicContact CB-CG2 4.21Å; E160-V163 WeakPolarHBondContact O-CB 3.38Å; E160-V163 PolarHBondContact O-N 3.25Å; E160-V163 VanDerWaalsContact O-N 3.16Å
161G98.9Very high98.9Very high41 Ų4120.1 Ų20.142%0.42313%0.13SC..Hα-helixtrans-59.8-31.9179.800000113.3S159 V163 W164 E165S159-G161 PolarHBondContact O-N 3.33Å; G161-V163 PolarHBondContact O-N 2.53Å; G161-W164 WeakPolarHBondContact O-CB 3.35Å; G161-W164 PolarHBondContact O-N 2.9Å; G161-E165 PolarHBondContact O-N 2.93Å; G161-E165 VanDerWaalsContact O-N 3.08Å
162S98.9Very high98.9Very high4 Ų423.7 Ų23.73%0.02815%0.148CC..Hα-helixtrans-61.1-29.3178.353.20000113.3G126 E160 W164 A166G126-S162 PolarHBondContact O-OG 3.07Å; E160-S162 PolarHBondContact O-N 3.16Å; S162-W164 VanDerWaalsContact C-N 3.33Å; S162-A166 PolarHBondContact O-N 2.91Å; S162-A166 VanDerWaalsContact O-N 3.1Å
163V98.9Very high98.9Very high3 Ų325.2 Ų25.22%0.01815%0.154CC..Hα-helixtrans-62.6-43.3171.81770000110.2G126 L129 L153 E157 L158 E160 G161 A166 M167G126-V163 VanDerWaalsContact CA-CG2 3.49Å; L129-V163 HydrophobicContact CD2-CG1 3.88Å; L153-V163 HydrophobicContact CD2-CG1 3.84Å; L153-V163 HydrophobicContact CD2-CG2 4.09Å; E157-V163 HydrophobicContact CG-CG2 4.39Å; L158-V163 HydrophobicContact CD2-CG1 3.89Å; E160-V163 HydrophobicContact CB-CG2 4.21Å; E160-V163 WeakPolarHBondContact O-CB 3.38Å; E160-V163 PolarHBondContact O-N 3.25Å; E160-V163 VanDerWaalsContact O-N 3.16Å; G161-V163 PolarHBondContact O-N 2.53Å; V163-A166 WeakPolarHBondContact O-CB 3.34Å; V163-A166 PolarHBondContact O-N 3.08Å; V163-M167 HydrophobicContact CG1-CG 4.33Å; V163-M167 VanDerWaalsContact O-CG 3.24Å; V163-M167 WeakPolarHBondContact O-CG 3.38Å; V163-M167 PolarHBondContact O-N 3.27Å
164W98.9Very high98.9Very high44 Ų4431.7 Ų31.717%0.16718%0.182CC..Hα-helixtrans-74.1-32.4-177.4-60.396000112.6L158 G161 S162 A166 M167 A168 R205 F209L158-W164 PolarHBondContact O-NE1 3.22Å; G161-W164 WeakPolarHBondContact O-CB 3.35Å; G161-W164 PolarHBondContact O-N 2.9Å; S162-W164 VanDerWaalsContact C-N 3.33Å; W164-A166 VanDerWaalsContact C-N 3.32Å; W164-M167 HydrophobicContact CE3-CG 4.47Å; W164-M167 PolarHBondContact O-N 3.46Å; W164-A168 WeakPolarHBondContact O-CB 3.38Å; W164-A168 PolarHBondContact O-N 3.22Å; W164-R205 HydrophobicContact CH2-CB 3.53Å; W164-R205 HydrophobicContact CH2-CG 4.18Å; W164-R205 HydrophobicContact CZ3-CB 3.77Å; W164-F209 HydrophobicContact CB-CE1 3.93Å; W164-F209 HydrophobicContact CB-CZ 4.14Å; W164-F209 HydrophobicContact CD2-CE2 4.46Å; W164-F209 HydrophobicContact CD2-CZ 4.21Å; W164-F209 HydrophobicContact CE3-CD1 4.1Å; W164-F209 AromaticContact CE3-CD2 3.77Å; W164-F209 HydrophobicContact CE3-CD2 3.77Å; W164-F209 AromaticContact CE3-CE1 3.88Å; W164-F209 HydrophobicContact CE3-CE1 3.88Å; W164-F209 AromaticContact CE3-CE2 3.51Å; W164-F209 HydrophobicContact CE3-CE2 3.51Å; W164-F209 HydrophobicContact CE3-CG 4.04Å; W164-F209 AromaticContact CE3-CZ 3.57Å; W164-F209 HydrophobicContact CE3-CZ 3.57Å; W164-F209 HydrophobicContact CG-CZ 4.47Å; W164-F209 AromaticContact CZ3-CD2 3.88Å; W164-F209 HydrophobicContact CZ3-CD2 3.88Å; W164-F209 AromaticContact CZ3-CE2 3.89Å; W164-F209 HydrophobicContact CZ3-CE2 3.89Å; W164-F209 HydrophobicContact CZ3-CG 4.35Å; W164-F209 HydrophobicContact CZ3-CZ 4.41Å
165E98.9Very high98.9Very high44 Ų4431.4 Ų31.421%0.20618%0.179CC..Hα-helixtrans-57.9-46.1166.9-66174.7-15600110.7G161 A168 F169 A365 Q367 N368G161-E165 PolarHBondContact O-N 2.93Å; G161-E165 VanDerWaalsContact O-N 3.08Å; E165-A168 PolarHBondContact O-N 3.4Å; E165-F169 WeakPolarHBondContact O-CB 3.44Å; E165-F169 PolarHBondContact O-N 3.02Å; E165-A365 HydrophobicContact CB-CB 4.13Å; E165-A365 HydrophobicContact CG-CB 3.91Å; E165-Q367 PolarHBondContact OE1-NE2 3.25Å; E165-Q367 WeakPolarHBondContact OE2-CB 3.34Å; E165-N368 HydrophobicContact CB-CB 3.59Å; E165-N368 WeakPolarHBondContact OE2-CB 3.49Å; E165-N368 PolarHBondContact OE2-N 2.88Å
166A98.9Very high98.9Very high0 Ų033 Ų330%019%0.188CC..Hα-helixtrans-67.9-38177.300000113L129 S162 V163 W164 F169 A170 N368L129-A166 HydrophobicContact CB-CB 4.12Å; L129-A166 HydrophobicContact CD2-CB 4.03Å; L129-A166 HydrophobicContact CG-CB 3.78Å; S162-A166 PolarHBondContact O-N 2.91Å; S162-A166 VanDerWaalsContact O-N 3.1Å; V163-A166 WeakPolarHBondContact O-CB 3.34Å; V163-A166 PolarHBondContact O-N 3.08Å; W164-A166 VanDerWaalsContact C-N 3.32Å; A166-F169 PolarHBondContact O-N 2.98Å; A166-A170 WeakPolarHBondContact O-CB 3.27Å; A166-A170 PolarHBondContact O-N 3.48Å; A166-N368 WeakPolarHBondContact CB-OD1 3.45Å
167M98.9Very high98.9Very high4 Ų432.5 Ų32.52%0.0218%0.179CC..Hα-helixtrans-59.6-47.7173.4-69.7-72.8-71.100110.9L129 V163 W164 A170 S171 C206 F209 W211L129-M167 HydrophobicContact CD2-CG 3.9Å; L129-M167 HydrophobicContact CD2-SD 3.8Å; V163-M167 HydrophobicContact CG1-CG 4.33Å; V163-M167 VanDerWaalsContact O-CG 3.24Å; V163-M167 WeakPolarHBondContact O-CG 3.38Å; V163-M167 PolarHBondContact O-N 3.27Å; W164-M167 HydrophobicContact CE3-CG 4.47Å; W164-M167 PolarHBondContact O-N 3.46Å; M167-A170 PolarHBondContact O-N 3.03Å; M167-S171 PolarHBondContact O-N 2.85Å; M167-S171 PolarHBondContact O-OG 2.92Å; M167-C206 HydrophobicContact CE-CB 4.04Å; M167-F209 HydrophobicContact CB-CB 4.23Å; M167-F209 HydrophobicContact CB-CD1 3.98Å; M167-F209 HydrophobicContact CB-CG 4.36Å; M167-W211 HydrophobicContact CE-CB 4.28Å; M167-W211 HydrophobicContact CE-CD2 3.62Å; M167-W211 HydrophobicContact CE-CE3 4.31Å; M167-W211 HydrophobicContact CE-CG 3.57Å; M167-W211 HydrophobicContact CE-CZ2 4.37Å; M167-W211 PolarHBondContact O-NE1 3.05Å; M167-W211 HydrophobicContact SD-CD2 3.84Å; M167-W211 HydrophobicContact SD-CE3 4.3Å; M167-W211 HydrophobicContact SD-CG 4.37Å; M167-W211 HydrophobicContact SD-CH2 4.02Å; M167-W211 HydrophobicContact SD-CZ2 3.48Å; M167-W211 WeakPolarHBondContact SD-CZ2 3.48Å; M167-W211 HydrophobicContact SD-CZ3 4.41Å
168A98.9Very high98.9Very high30 Ų3032.2 Ų32.225%0.24818%0.178CC..Hα-helixtrans-63.4-44.2176.800000111.6W164 E165 A170 S171 I172 F209W164-A168 WeakPolarHBondContact O-CB 3.38Å; W164-A168 PolarHBondContact O-N 3.22Å; E165-A168 PolarHBondContact O-N 3.4Å; A168-A170 PolarHBondContact O-N 3.02Å; A168-S171 PolarHBondContact O-N 2.84Å; A168-S171 PolarHBondContact O-OG 2.98Å; A168-I172 WeakPolarHBondContact O-CB 3.29Å; A168-I172 WeakPolarHBondContact O-CD1 3.21Å; A168-I172 WeakPolarHBondContact O-CG1 3.24Å; A168-I172 PolarHBondContact O-N 3.31Å; A168-F209 HydrophobicContact CB-CD1 4.12Å; A168-F209 HydrophobicContact CB-CE1 4.4Å
169F98.9Very high98.9Very high4 Ų431.8 Ų31.82%0.01818%0.176CC..Hα-helixtrans-56.5-48.7177.1-179.8-84.1000112.1C133 Y137 E165 A166 S171 I172 Y173 L175 I360 N368 I372C133-F169 HydrophobicContact CB-CD1 3.83Å; C133-F169 HydrophobicContact CB-CE1 4.13Å; Y137-F169 HydrophobicContact CD2-CE1 4.01Å; Y137-F169 AromaticContact CD2-CZ 3.8Å; Y137-F169 HydrophobicContact CD2-CZ 3.8Å; Y137-F169 HydrophobicContact CE2-CZ 4.31Å; E165-F169 WeakPolarHBondContact O-CB 3.44Å; E165-F169 PolarHBondContact O-N 3.02Å; A166-F169 PolarHBondContact O-N 2.98Å; F169-S171 VanDerWaalsContact C-N 3.3Å; F169-S171 PolarHBondContact O-N 3.3Å; F169-I172 PolarHBondContact O-N 3.37Å; F169-Y173 AromaticContact CD1-CD2 3.95Å; F169-Y173 HydrophobicContact CD1-CD2 3.95Å; F169-Y173 AromaticContact CD2-CD2 3.6Å; F169-Y173 HydrophobicContact CD2-CD2 3.6Å; F169-Y173 AromaticContact CD2-CE2 3.59Å; F169-Y173 HydrophobicContact CD2-CE2 3.59Å; F169-Y173 AromaticContact CE1-CD2 3.71Å; F169-Y173 HydrophobicContact CE1-CD2 3.71Å; F169-Y173 HydrophobicContact CE1-CE2 4.39Å; F169-Y173 HydrophobicContact CE1-CG 4.31Å; F169-Y173 AromaticContact CE2-CD2 3.36Å; F169-Y173 HydrophobicContact CE2-CD2 3.36Å; F169-Y173 AromaticContact CE2-CE2 3.2Å; F169-Y173 HydrophobicContact CE2-CE2 3.2Å; F169-Y173 HydrophobicContact CE2-CG 4.48Å; F169-Y173 AromaticContact CG-CD2 3.89Å; F169-Y173 HydrophobicContact CG-CD2 3.89Å; F169-Y173 HydrophobicContact CG-CE2 4.34Å; F169-Y173 AromaticContact CZ-CD2 3.41Å; F169-Y173 HydrophobicContact CZ-CD2 3.41Å; F169-Y173 VanDerWaalsContact CZ-CD2 3.41Å; F169-Y173 AromaticContact CZ-CE2 3.65Å; F169-Y173 HydrophobicContact CZ-CE2 3.65Å; F169-Y173 HydrophobicContact CZ-CG 4.17Å; F169-Y173 WeakPolarHBondContact O-CB 3.22Å; F169-Y173 WeakPolarHBondContact O-CD2 3.24Å; F169-Y173 PolarHBondContact O-N 2.97Å; F169-L175 HydrophobicContact CD1-CD1 4.18Å; F169-L175 HydrophobicContact CE1-CD1 4.05Å; F169-I360 HydrophobicContact CE2-CG2 3.69Å; F169-I360 HydrophobicContact CZ-CG2 3.8Å; F169-N368 VanDerWaalsContact CB-ND2 3.34Å; F169-N368 WeakPolarHBondContact CB-ND2 3.36Å; F169-I372 HydrophobicContact CD1-CD1 3.58Å; F169-I372 HydrophobicContact CD1-CG1 4.48Å; F169-I372 HydrophobicContact CD2-CD1 4.23Å; F169-I372 HydrophobicContact CD2-CG1 4.3Å; F169-I372 HydrophobicContact CE1-CD1 3.42Å; F169-I372 VanDerWaalsContact CE1-CD1 3.42Å; F169-I372 HydrophobicContact CE1-CG1 4.27Å; F169-I372 HydrophobicContact CE2-CD1 4.07Å; F169-I372 HydrophobicContact CE2-CG1 4.05Å; F169-I372 HydrophobicContact CG-CD1 4Å; F169-I372 HydrophobicContact CZ-CD1 3.68Å; F169-I372 HydrophobicContact CZ-CG1 4.05Å; F169-I372 HydrophobicContact CZ-CG2 4.07Å
170A98.9Very high98.9Very high0 Ų028 Ų280%015%0.149CC..Hα-helixtrans-61.6-37-176.700000113.1A166 M167 A168 Y173 K174 L175 L178 W211 P235A166-A170 WeakPolarHBondContact O-CB 3.27Å; A166-A170 PolarHBondContact O-N 3.48Å; M167-A170 PolarHBondContact O-N 3.03Å; A168-A170 PolarHBondContact O-N 3.02Å; A170-Y173 CarbonylContact O-C 3.36Å; A170-K174 PolarHBondContact O-N 2.84Å; A170-L175 HydrophobicContact CB-CB 4.35Å; A170-L175 HydrophobicContact CB-CD1 4.12Å; A170-L175 HydrophobicContact CB-CG 4.44Å; A170-L175 PolarHBondContact O-N 3.1Å; A170-L178 HydrophobicContact CB-CD2 3.91Å; A170-W211 HydrophobicContact CB-CH2 4.1Å; A170-W211 HydrophobicContact CB-CZ2 3.29Å; A170-P235 HydrophobicContact CB-CB 4.04Å; A170-P235 HydrophobicContact CB-CG 4.09Å
171S98.8Very high98.9Very high28 Ų2824 Ų2420%0.19613%0.13CC..Hα-helixtrans-77.2-40.6179.161.90000112M167 A168 F169 Y173 K174 F209M167-S171 PolarHBondContact O-N 2.85Å; M167-S171 PolarHBondContact O-OG 2.92Å; A168-S171 PolarHBondContact O-N 2.84Å; A168-S171 PolarHBondContact O-OG 2.98Å; F169-S171 VanDerWaalsContact C-N 3.3Å; F169-S171 PolarHBondContact O-N 3.3Å; S171-Y173 VanDerWaalsContact C-N 3.3Å; S171-Y173 PolarHBondContact O-N 2.86Å; S171-K174 PolarHBondContact O-N 2.97Å; S171-K174 VanDerWaalsContact O-N 3.1Å; S171-F209 WeakPolarHBondContact CB-O 3.46Å; S171-F209 PolarHBondContact OG-O 3.18Å
172I98.9Very high98.9Very high75 Ų7522.1 Ų22.139%0.38511%0.111SC..Hα-helixtrans-54.6-49.1172.4-70165.3000110.2A168 F169 K174 Y363A168-I172 WeakPolarHBondContact O-CB 3.29Å; A168-I172 WeakPolarHBondContact O-CD1 3.21Å; A168-I172 WeakPolarHBondContact O-CG1 3.24Å; A168-I172 PolarHBondContact O-N 3.31Å; F169-I172 PolarHBondContact O-N 3.37Å; I172-K174 VanDerWaalsContact C-N 3.28Å; I172-K174 PolarHBondContact O-N 3Å; I172-Y363 HydrophobicContact CD1-CD2 4.15Å; I172-Y363 HydrophobicContact CD1-CE2 3.71Å; I172-Y363 HydrophobicContact CG2-CE2 3.91Å
173Y98.9Very high98.9Very high33 Ų3322 Ų2213%0.12911%0.11CC..THydrogen-bonded Turntrans-8810.7-179.6-71.9-71.1000114.2Y137 Y141 F169 A170 S171 L175 I360 E361Y137-Y173 HydrophobicContact CD2-CD1 4.19Å; Y137-Y173 HydrophobicContact CD2-CG 4.07Å; Y137-Y173 AromaticContact CE2-CD1 3.46Å; Y137-Y173 HydrophobicContact CE2-CD1 3.46Å; Y137-Y173 VanDerWaalsContact CE2-CD1 3.46Å; Y137-Y173 HydrophobicContact CE2-CD2 4.41Å; Y137-Y173 AromaticContact CE2-CE1 3.75Å; Y137-Y173 HydrophobicContact CE2-CE1 3.75Å; Y137-Y173 AromaticContact CE2-CG 3.79Å; Y137-Y173 HydrophobicContact CE2-CG 3.79Å; Y141-Y173 WeakPolarHBondContact CE2-O 3.43Å; Y141-Y173 PolarHBondContact OH-O 3.43Å; F169-Y173 AromaticContact CD1-CD2 3.95Å; F169-Y173 HydrophobicContact CD1-CD2 3.95Å; F169-Y173 AromaticContact CD2-CD2 3.6Å; F169-Y173 HydrophobicContact CD2-CD2 3.6Å; F169-Y173 AromaticContact CD2-CE2 3.59Å; F169-Y173 HydrophobicContact CD2-CE2 3.59Å; F169-Y173 AromaticContact CE1-CD2 3.71Å; F169-Y173 HydrophobicContact CE1-CD2 3.71Å; F169-Y173 HydrophobicContact CE1-CE2 4.39Å; F169-Y173 HydrophobicContact CE1-CG 4.31Å; F169-Y173 AromaticContact CE2-CD2 3.36Å; F169-Y173 HydrophobicContact CE2-CD2 3.36Å; F169-Y173 AromaticContact CE2-CE2 3.2Å; F169-Y173 HydrophobicContact CE2-CE2 3.2Å; F169-Y173 HydrophobicContact CE2-CG 4.48Å; F169-Y173 AromaticContact CG-CD2 3.89Å; F169-Y173 HydrophobicContact CG-CD2 3.89Å; F169-Y173 HydrophobicContact CG-CE2 4.34Å; F169-Y173 AromaticContact CZ-CD2 3.41Å; F169-Y173 HydrophobicContact CZ-CD2 3.41Å; F169-Y173 VanDerWaalsContact CZ-CD2 3.41Å; F169-Y173 AromaticContact CZ-CE2 3.65Å; F169-Y173 HydrophobicContact CZ-CE2 3.65Å; F169-Y173 HydrophobicContact CZ-CG 4.17Å; F169-Y173 WeakPolarHBondContact O-CB 3.22Å; F169-Y173 WeakPolarHBondContact O-CD2 3.24Å; F169-Y173 PolarHBondContact O-N 2.97Å; A170-Y173 CarbonylContact O-C 3.36Å; S171-Y173 VanDerWaalsContact C-N 3.3Å; S171-Y173 PolarHBondContact O-N 2.86Å; Y173-L175 VanDerWaalsContact C-N 3.3Å; Y173-L175 PolarHBondContact O-N 3.36Å; Y173-I360 HydrophobicContact CE2-CG2 4.23Å; Y173-E361 WeakPolarHBondContact CE2-O 3.48Å; Y173-E361 VanDerWaalsContact OH-C 3.31Å; Y173-E361 WeakPolarHBondContact OH-CA 3.48Å; Y173-E361 WeakPolarHBondContact OH-CB 3.43Å; Y173-E361 PolarHBondContact OH-N 3.28Å; Y173-E361 PolarHBondContact OH-O 3.21Å
174K98.8Very high98.9Very high135 Ų13521.8 Ų21.859%0.58711%0.109SC*.THydrogen-bonded Turntrans48.847.2173.4-55.3178.4-176.2-680112.7K140 A170 S171 I172 D176K140-K174 PolarHBondContact NZ-O 3.15Å; A170-K174 PolarHBondContact O-N 2.84Å; S171-K174 PolarHBondContact O-N 2.97Å; S171-K174 VanDerWaalsContact O-N 3.1Å; I172-K174 VanDerWaalsContact C-N 3.28Å; I172-K174 PolarHBondContact O-N 3Å; K174-D176 PolarHBondContact O-N 3.26Å
175L98.8Very high98.9Very high0 Ų019.9 Ų19.90%010%0.102CC..  trans-7571.5-176.4-58-175.5000111.8C133 A136 Y137 Y141 F169 A170 Y173 N177 L178 P235C133-L175 HydrophobicContact CB-CD1 4.04Å; A136-L175 HydrophobicContact CB-CB 4.42Å; A136-L175 HydrophobicContact CB-CD1 4.1Å; Y137-L175 HydrophobicContact CD2-CD2 4.34Å; Y141-L175 HydrophobicContact CE2-CD2 3.89Å; F169-L175 HydrophobicContact CD1-CD1 4.18Å; F169-L175 HydrophobicContact CE1-CD1 4.05Å; A170-L175 HydrophobicContact CB-CB 4.35Å; A170-L175 HydrophobicContact CB-CD1 4.12Å; A170-L175 HydrophobicContact CB-CG 4.44Å; A170-L175 PolarHBondContact O-N 3.1Å; Y173-L175 VanDerWaalsContact C-N 3.3Å; Y173-L175 PolarHBondContact O-N 3.36Å; L175-N177 PolarHBondContact O-N 2.93Å; L175-L178 HydrophobicContact CB-CB 4.02Å; L175-L178 HydrophobicContact CB-CD2 4.49Å; L175-L178 HydrophobicContact CD1-CD2 4.34Å; L175-L178 VanDerWaalsContact O-CB 3.32Å; L175-L178 WeakPolarHBondContact O-CB 3.46Å; L175-L178 PolarHBondContact O-N 3.29Å; L175-P235 VanDerWaalsContact O-CA 3.28Å; L175-P235 WeakPolarHBondContact O-CA 3.37Å; L175-P235 WeakPolarHBondContact O-CB 3.27Å
176D98.7Very high98.9Very high40 Ų4019.4 Ų19.421%0.21410%0.098CC..THydrogen-bonded Turntrans-70.3-10.317954.27.3000115.1K140 R148 K174 L178 K232K140-D176 IonicContact NZ-OD1 3.44Å; K140-D176 PolarHBondContact NZ-OD1 3.26Å; K140-D176 IonicContact NZ-OD2 3.58Å; K140-D176 PolarHBondContact NZ-OD2 3.3Å; R148-D176 PolarHBondContact NH1-O 3.43Å; R148-D176 VanDerWaalsContact NH1-O 3.13Å; K174-D176 PolarHBondContact O-N 3.26Å; D176-L178 VanDerWaalsContact C-N 3.34Å; D176-K232 WeakPolarHBondContact CB-O 3.12Å
177N98.8Very high98.9Very high15 Ų1519.7 Ų19.78%0.0810%0.1CC..THydrogen-bonded Turntrans-86.80.1167.965.1-27.2000113.6A136 R148 V149 L175A136-N177 PolarHBondContact O-ND2 3.42Å; A136-N177 PolarHBondContact O-OD1 2.83Å; R148-N177 WeakPolarHBondContact CA-O 3.3Å; V149-N177 PolarHBondContact N-O 3.47Å; L175-N177 PolarHBondContact O-N 2.93Å
178L98.9Very high98.8Very high0 Ų020.4 Ų20.40%011%0.107CC..EExtended strand (participates in β ladder)trans-101.7135.9178.1-177.962.9000112.3L129 A132 C133 A136 V149 A170 L175 D176 W211 T236L129-L178 HydrophobicContact CD1-CD2 4.4Å; A132-L178 HydrophobicContact CB-CD1 3.92Å; C133-L178 VanDerWaalsContact SG-CD2 3.52Å; A136-L178 HydrophobicContact CB-CB 3.92Å; A136-L178 HydrophobicContact CB-CD1 4.32Å; V149-L178 HydrophobicContact CB-CD1 3.93Å; V149-L178 HydrophobicContact CG1-CD1 3.96Å; V149-L178 WeakPolarHBondContact O-CA 3.44Å; A170-L178 HydrophobicContact CB-CD2 3.91Å; L175-L178 HydrophobicContact CB-CB 4.02Å; L175-L178 HydrophobicContact CB-CD2 4.49Å; L175-L178 HydrophobicContact CD1-CD2 4.34Å; L175-L178 VanDerWaalsContact O-CB 3.32Å; L175-L178 WeakPolarHBondContact O-CB 3.46Å; L175-L178 PolarHBondContact O-N 3.29Å; D176-L178 VanDerWaalsContact C-N 3.34Å; L178-W211 HydrophobicContact CD2-CH2 3.62Å; L178-W211 HydrophobicContact CD2-CZ2 4.2Å; L178-W211 HydrophobicContact CG-CH2 4.02Å; L178-T236 PolarHBondContact O-N 3.49Å; L178-T236 VanDerWaalsContact O-N 3.12Å
179V98.9Very high98.8Very high3 Ų326.1 Ų26.12%0.01813%0.129CC..EExtended strand (participates in β ladder)trans-126.4122.6170-173.70000110V149 Y150 C151 I181 F228 T236 I238V149-V179 PolarHBondContact O-N 3.39Å; Y150-V179 CarbonylContact C-O 3.54Å; Y150-V179 WeakPolarHBondContact CA-O 3.48Å; Y150-V179 HydrophobicContact CD1-CB 3.71Å; Y150-V179 HydrophobicContact CD1-CG1 4.23Å; Y150-V179 HydrophobicContact CD1-CG2 4.01Å; Y150-V179 HydrophobicContact CE1-CB 4.04Å; Y150-V179 HydrophobicContact CE1-CG2 3.8Å; C151-V179 PolarHBondContact N-O 3.28Å; V179-I181 HydrophobicContact CG1-CD1 4.16Å; V179-I181 HydrophobicContact CG1-CG1 4.39Å; V179-F228 HydrophobicContact CG1-CD1 4.23Å; V179-F228 HydrophobicContact CG1-CE1 4.12Å; V179-T236 CarbonylContact C-O 3.54Å; V179-T236 VanDerWaalsContact CA-O 3.28Å; V179-T236 WeakPolarHBondContact CA-O 3.46Å; V179-I238 HydrophobicContact CG1-CG1 3.92Å
180A98.9Very high98.8Very high0 Ų030.3 Ų30.30%016%0.159CC..EExtended strand (participates in β ladder)trans-95.1133.6166.600000109.1L129 C151 L153 L182 W211 T236 A237 I238L129-A180 HydrophobicContact CD1-CB 4.14Å; C151-A180 CarbonylContact O-C 3.6Å; C151-A180 WeakPolarHBondContact O-CA 3.44Å; L153-A180 HydrophobicContact CD1-CB 4.11Å; A180-L182 HydrophobicContact CB-CD2 4.36Å; A180-W211 HydrophobicContact CB-CE3 4.43Å; A180-W211 HydrophobicContact CB-CH2 3.93Å; A180-W211 HydrophobicContact CB-CZ3 3.56Å; A180-T236 PolarHBondContact N-O 3.44Å; A180-A237 CarbonylContact O-C 3.53Å; A180-A237 WeakPolarHBondContact O-CA 3.4Å; A180-I238 PolarHBondContact O-N 3.36Å
181I98.9Very high98.7Very high0 Ų034.9 Ų34.90%018%0.183CC..EExtended strand (participates in β ladder)trans-112.4118.3173.1-52.786.2000107.2I47 L51 Y150 C151 L152 L153 V179 F228 I238I47-I181 HydrophobicContact CD1-CG2 3.92Å; I47-I181 HydrophobicContact CG1-CG2 4.35Å; I47-I181 HydrophobicContact CG2-CG2 3.83Å; L51-I181 HydrophobicContact CD1-CD1 4.12Å; Y150-I181 HydrophobicContact CD1-CD1 4.41Å; C151-I181 WeakPolarHBondContact O-CD1 3.41Å; C151-I181 PolarHBondContact O-N 3.46Å; L152-I181 HydrophobicContact CD1-CB 3.91Å; L152-I181 HydrophobicContact CD1-CG2 3.9Å; L153-I181 PolarHBondContact N-O 3.03Å; V179-I181 HydrophobicContact CG1-CD1 4.16Å; V179-I181 HydrophobicContact CG1-CG1 4.39Å; I181-F228 HydrophobicContact CD1-CE1 4.19Å; I181-F228 HydrophobicContact CG1-CE1 3.58Å; I181-F228 HydrophobicContact CG1-CZ 3.72Å; I181-I238 WeakPolarHBondContact CA-O 3.32Å; I181-I238 HydrophobicContact CG1-CB 4.49Å; I181-I238 HydrophobicContact CG2-CB 4.49Å
182L98.9Very high98.7Very high3 Ų335.3 Ų35.32%0.01619%0.185CC..EExtended strand (participates in β ladder)trans-98.9108.2179.5-43.4-175.6000107.9L153 L158 A180 I184 I238 I239 A240L153-L182 HydrophobicContact CB-CD2 4.3Å; L153-L182 HydrophobicContact CD1-CD2 4.14Å; L158-L182 HydrophobicContact CD1-CB 4.33Å; L158-L182 HydrophobicContact CD1-CD1 3.92Å; L158-L182 HydrophobicContact CD1-CD2 4.24Å; L158-L182 HydrophobicContact CD1-CG 4.4Å; L158-L182 HydrophobicContact CD2-CD2 3.94Å; A180-L182 HydrophobicContact CB-CD2 4.36Å; L182-I184 VanDerWaalsContact C-N 3.32Å; L182-I184 HydrophobicContact CB-CD1 3.55Å; L182-I184 HydrophobicContact CB-CG1 4.09Å; L182-I184 PolarHBondContact O-N 3.39Å; L182-I238 PolarHBondContact N-O 3.04Å; L182-I239 HydrophobicContact CD1-CG1 4.11Å; L182-I239 HydrophobicContact CD1-CG2 4.44Å; L182-A240 WeakPolarHBondContact O-CB 3.46Å; L182-A240 PolarHBondContact O-N 2.9Å
183D98.9Very high98.7Very high0 Ų031.9 Ų31.90%017%0.168CC..EExtended strand (participates in β ladder)trans-77.884173.317925.5000109.4S43 K75 L152 L153 D155 N185 T242S43-D183 WeakPolarHBondContact CB-OD1 3.45Å; S43-D183 WeakPolarHBondContact CB-OD2 3.45Å; S43-D183 PolarHBondContact OG-OD1 3.32Å; S43-D183 PolarHBondContact OG-OD2 2.69Å; K75-D183 HydrophobicContact CD-CB 4.36Å; K75-D183 IonicContact NZ-OD2 3.74Å; K75-D183 PolarHBondContact NZ-OD2 2.92Å; L152-D183 HydrophobicContact CD1-CB 4.14Å; L153-D183 WeakPolarHBondContact O-CB 3.23Å; L153-D183 PolarHBondContact O-N 3.1Å; D155-D183 PolarHBondContact N-O 3.28Å; D183-N185 VanDerWaalsContact C-N 3.28Å; D183-N185 PolarHBondContact O-N 3.16Å; D183-N185 PolarHBondContact OD2-ND2 3.49Å; D183-T242 WeakPolarHBondContact OD1-CB 3.45Å; D183-T242 WeakPolarHBondContact OD1-CG2 3.41Å; D183-T242 PolarHBondContact OD1-OG1 2.78Å
184I98.9Very high98.7Very high0 Ų035 Ų350%019%0.193CC..EExtended strand (participates in β ladder)trans-8378.2179.6-45.3-54000109D155 L158 L182 R186 Q196 H197 M199 Y202 I239 A240 T242D155-I184 HydrophobicContact CB-CD1 3.79Å; D155-I184 HydrophobicContact CB-CG2 4.37Å; L158-I184 HydrophobicContact CD1-CD1 4.02Å; L182-I184 VanDerWaalsContact C-N 3.32Å; L182-I184 HydrophobicContact CB-CD1 3.55Å; L182-I184 HydrophobicContact CB-CG1 4.09Å; L182-I184 PolarHBondContact O-N 3.39Å; I184-R186 VanDerWaalsContact C-N 3.33Å; I184-Q196 WeakPolarHBondContact CG2-O 3.47Å; I184-H197 PolarHBondContact O-CD2 3.32Å; I184-H197 PolarHBondContact O-NE2 2.96Å; I184-M199 HydrophobicContact CB-CE 3.85Å; I184-M199 HydrophobicContact CB-SD 4.18Å; I184-M199 HydrophobicContact CG1-CE 3.85Å; I184-M199 HydrophobicContact CG2-CE 4.11Å; I184-M199 HydrophobicContact CG2-SD 3.81Å; I184-Y202 HydrophobicContact CD1-CD1 3.89Å; I184-Y202 HydrophobicContact CD1-CD2 4.26Å; I184-Y202 HydrophobicContact CD1-CE1 3.76Å; I184-Y202 HydrophobicContact CD1-CE2 4.11Å; I184-Y202 HydrophobicContact CD1-CG 4.13Å; I184-Y202 HydrophobicContact CG1-CD2 4.29Å; I184-Y202 HydrophobicContact CG1-CE2 4.32Å; I184-Y202 HydrophobicContact CG1-CG 4.46Å; I184-Y202 HydrophobicContact CG2-CD2 3.97Å; I184-Y202 HydrophobicContact CG2-CE2 3.38Å; I184-I239 HydrophobicContact CD1-CG2 4.47Å; I184-I239 HydrophobicContact CG1-CG2 3.76Å; I184-A240 WeakPolarHBondContact CA-O 3.41Å; I184-A240 WeakPolarHBondContact CB-O 3.25Å; I184-A240 PolarHBondContact N-O 3.4Å; I184-T242 VanDerWaalsContact C-OG1 3.29Å; I184-T242 PolarHBondContact O-N 2.86Å; I184-T242 PolarHBondContact O-OG1 2.79Å
185N98.8Very high98.7Very high3 Ų329.4 Ų29.42%0.01617%0.169CC..  trans-93.68.9-177.369.352.3000113.8D155 D183 L187 T242 K244D155-N185 PolarHBondContact OD2-N 2.75Å; D183-N185 VanDerWaalsContact C-N 3.28Å; D183-N185 PolarHBondContact O-N 3.16Å; D183-N185 PolarHBondContact OD2-ND2 3.49Å; N185-L187 PolarHBondContact O-N 3.27Å; N185-L187 PolarHBondContact OD1-N 3.21Å; N185-L187 PolarHBondContact OD1-O 3.16Å; N185-T242 WeakPolarHBondContact CA-O 3.49Å; N185-T242 WeakPolarHBondContact CA-OG1 3.31Å; N185-T242 WeakPolarHBondContact CB-OG1 3.4Å; N185-T242 PolarHBondContact N-OG1 3.41Å; N185-K244 HydrophobicContact CB-CB 4.04Å
186R98.8Very high98.7Very high35 Ų3533.6 Ų33.613%0.13219%0.189CC..SBendtrans77.9-23.2-179.8-157.6-176.761.382.7-2.6115.4D155 I184 P192 A193 Q196 D253D155-R186 WeakPolarHBondContact OD2-CA 3.35Å; D155-R186 PolarHBondContact OD2-N 3.04Å; I184-R186 VanDerWaalsContact C-N 3.33Å; R186-P192 CarbonylContact O-C 3.55Å; R186-P192 WeakPolarHBondContact O-CA 3.29Å; R186-A193 PolarHBondContact O-N 3.19Å; R186-Q196 HydrophobicContact CG-CB 3.68Å; R186-Q196 HydrophobicContact CG-CG 4.22Å; R186-D253 IonicContact CZ-OD1 3.69Å; R186-D253 IonicContact NE-OD1 3.29Å; R186-D253 PolarHBondContact NE-OD1 3.12Å; R186-D253 IonicContact NE-OD2 3.96Å; R186-D253 PolarHBondContact NH2-O 2.82Å; R186-D253 IonicContact NH2-OD1 2.64Å; R186-D253 PolarHBondContact NH2-OD1 2.99Å; R186-D253 VanDerWaalsContact NH2-OD1 3.1Å
187L98.8Very high98.7Very high6 Ų633.6 Ų33.63%0.03119%0.187CC..BIsolated β-bridgetrans-123.1127-160-68.5-179.7000112.9D155 N185 P192 K244 K254 E255D155-L187 PolarHBondContact OD2-N 2.96Å; N185-L187 PolarHBondContact O-N 3.27Å; N185-L187 PolarHBondContact OD1-N 3.21Å; N185-L187 PolarHBondContact OD1-O 3.16Å; L187-P192 HydrophobicContact CD2-CB 4.09Å; L187-P192 HydrophobicContact CD2-CG 3.93Å; L187-K244 HydrophobicContact CB-CB 4.37Å; L187-K244 HydrophobicContact CB-CD 3.62Å; L187-K244 HydrophobicContact CD1-CB 4.17Å; L187-K244 HydrophobicContact CD1-CD 4.32Å; L187-K244 PolarHBondContact O-NZ 3.18Å; L187-K254 VanDerWaalsContact CD1-O 3.32Å; L187-K254 WeakPolarHBondContact CD1-O 3.12Å; L187-E255 HydrophobicContact CD2-CG 3.85Å
188G98.2Very high98.7Very high18 Ų1837.3 Ų37.319%0.18620%0.204CC..  trans-77.3-149.9166.200000112.6D191 K244G188-D191 WeakPolarHBondContact CA-O 3.5Å; G188-D191 PolarHBondContact N-O 3.19Å; G188-K244 PolarHBondContact O-NZ 3.28Å
189Q98.4Very high98.7Very high150 Ų15038.2 Ų38.270%0.70121%0.208SC*.SBendtrans-82-51.9178.4167.3164.3-24.200112.5H258Q189-H258 VanDerWaalsContact CG-CD2 3.48Å; Q189-H258 WeakPolarHBondContact CG-CD2 3.35Å; Q189-H258 WeakPolarHBondContact O-CB 3.18Å
190S97.9Very high98.7Very high92 Ų9241.6 Ų41.664%0.64323%0.226SC*.SBendtrans-101.8-25.3-175.761.20000113.6
191D98.5Very high98.7Very high97 Ų9744 Ų4452%0.51924%0.239SC..SBendtrans-148169.3-169.3-73.7-76.8000110.3G188G188-D191 WeakPolarHBondContact CA-O 3.5Å; G188-D191 PolarHBondContact N-O 3.19Å
192P98.8Very high98.7Very high36 Ų3644.4 Ų44.423%0.23424%0.24CC..BIsolated β-bridgetrans-52.3140.4165.8-24.134.6000112.3R186 L187 Q196R186-P192 CarbonylContact O-C 3.55Å; R186-P192 WeakPolarHBondContact O-CA 3.29Å; L187-P192 HydrophobicContact CD2-CB 4.09Å; L187-P192 HydrophobicContact CD2-CG 3.93Å; P192-Q196 HydrophobicContact CB-CG 3.95Å
193A98.8Very high98.7Very high3 Ų346.9 Ų46.93%0.02525%0.252CS..  trans-60.4149.2168.500000109.2D155 R186 L195 Q196D155-A193 HydrophobicContact CB-CB 4.16Å; R186-A193 PolarHBondContact O-N 3.19Å; A193-L195 VanDerWaalsContact C-N 3.25Å; A193-L195 PolarHBondContact O-N 3.25Å; A193-Q196 WeakPolarHBondContact O-CG 3.47Å; A193-Q196 PolarHBondContact O-N 3.49Å
194P98.8Very high98.7Very high100 Ų10053 Ų5365%0.64928%0.279SS*.THydrogen-bonded Turntrans-54.8-37.1-167.1-29.735.5000115
195L98.7Very high98.7Very high16 Ų1658.2 Ų58.28%0.08430%0.298CS..THydrogen-bonded Turntrans-93.1-4.7-179-59.4-178.4000113.5A193 H197 Q198 I201 Y202A193-L195 VanDerWaalsContact C-N 3.25Å; A193-L195 PolarHBondContact O-N 3.25Å; L195-H197 PolarHBondContact O-N 2.88Å; L195-H197 VanDerWaalsContact O-N 3.13Å; L195-Q198 WeakPolarHBondContact O-CB 3.48Å; L195-Q198 VanDerWaalsContact O-CG 3.27Å; L195-Q198 WeakPolarHBondContact O-CG 3.42Å; L195-Q198 PolarHBondContact O-N 3.28Å; L195-I201 HydrophobicContact CD1-CB 4.14Å; L195-I201 HydrophobicContact CD1-CG2 3.68Å; L195-I201 HydrophobicContact CD2-CB 4.4Å; L195-I201 HydrophobicContact CD2-CD1 4.27Å; L195-I201 HydrophobicContact CD2-CG2 3.88Å; L195-I201 HydrophobicContact CG-CG2 4.42Å; L195-Y202 HydrophobicContact CB-CD2 4.29Å; L195-Y202 HydrophobicContact CB-CE1 4.28Å; L195-Y202 HydrophobicContact CB-CE2 3.55Å; L195-Y202 HydrophobicContact CD1-CD1 3.93Å; L195-Y202 HydrophobicContact CD1-CD2 4.24Å; L195-Y202 HydrophobicContact CD1-CE1 3.77Å; L195-Y202 HydrophobicContact CD1-CE2 4.12Å; L195-Y202 HydrophobicContact CD1-CG 4.16Å; L195-Y202 HydrophobicContact CG-CE1 4.49Å; L195-Y202 HydrophobicContact CG-CE2 4.47Å
196Q98.7Very high98.7Very high89 Ų8958.2 Ų58.242%0.41630%0.298SS..THydrogen-bonded Turntrans47.7-121.7-178.5-58.6-171.138.700111.1I184 R186 P192 A193I184-Q196 WeakPolarHBondContact CG2-O 3.47Å; R186-Q196 HydrophobicContact CG-CB 3.68Å; R186-Q196 HydrophobicContact CG-CG 4.22Å; P192-Q196 HydrophobicContact CB-CG 3.95Å; A193-Q196 WeakPolarHBondContact O-CG 3.47Å; A193-Q196 PolarHBondContact O-N 3.49Å
197H98.8Very high98.7Very high40 Ų4060.8 Ų60.819%0.18531%0.312CS..THydrogen-bonded Turntrans-102.828.3173.9-73.3156.1000114I184 L195 M199 T242 F243I184-H197 PolarHBondContact O-CD2 3.32Å; I184-H197 PolarHBondContact O-NE2 2.96Å; L195-H197 PolarHBondContact O-N 2.88Å; L195-H197 VanDerWaalsContact O-N 3.13Å; H197-M199 HydrophobicContact CB-SD 4.44Å; H197-M199 WeakPolarHBondContact O-CG 3.22Å; H197-M199 PolarHBondContact O-N 3.06Å; H197-T242 PolarHBondContact CE1-O 3.38Å; H197-T242 PolarHBondContact NE2-O 3.35Å; H197-F243 AromaticContact CE1-CD1 3.85Å; H197-F243 AromaticContact CE1-CE1 3.67Å
198Q98.8Very high98.7Very high92 Ų9264.6 Ų64.643%0.4334%0.344SS..  trans-75.869.6172.3-62.4174.16.500109.8L195 D200 I201 Y202L195-Q198 WeakPolarHBondContact O-CB 3.48Å; L195-Q198 VanDerWaalsContact O-CG 3.27Å; L195-Q198 WeakPolarHBondContact O-CG 3.42Å; L195-Q198 PolarHBondContact O-N 3.28Å; Q198-D200 PolarHBondContact O-N 3.43Å; Q198-I201 HydrophobicContact CB-CB 4.48Å; Q198-I201 HydrophobicContact CB-CD1 4.14Å; Q198-I201 HydrophobicContact CB-CG1 4.19Å; Q198-I201 PolarHBondContact O-N 3.02Å; Q198-Y202 WeakPolarHBondContact O-CD2 3.4Å; Q198-Y202 PolarHBondContact O-N 2.77Å
199M98.8Very high98.7Very high19 Ų1967.2 Ų67.29%0.09435%0.351CS..Hα-helixtrans-58.4-32.5-171.5-53.7-50.1-6100112.8I184 H197 I201 Y202 Q203 I215 I239 K241I184-M199 HydrophobicContact CB-CE 3.85Å; I184-M199 HydrophobicContact CB-SD 4.18Å; I184-M199 HydrophobicContact CG1-CE 3.85Å; I184-M199 HydrophobicContact CG2-CE 4.11Å; I184-M199 HydrophobicContact CG2-SD 3.81Å; H197-M199 HydrophobicContact CB-SD 4.44Å; H197-M199 WeakPolarHBondContact O-CG 3.22Å; H197-M199 PolarHBondContact O-N 3.06Å; M199-I201 VanDerWaalsContact C-N 3.31Å; M199-I201 PolarHBondContact O-N 3.21Å; M199-Y202 PolarHBondContact O-N 3.48Å; M199-Q203 PolarHBondContact O-N 3.02Å; M199-I215 HydrophobicContact CB-CD1 3.86Å; M199-I215 HydrophobicContact CB-CG1 4.37Å; M199-I215 HydrophobicContact CB-CG2 4.23Å; M199-I215 HydrophobicContact CE-CG2 4.45Å; M199-I239 HydrophobicContact CE-CG2 3.54Å; M199-K241 HydrophobicContact CE-CB 3.75Å; M199-K241 HydrophobicContact CE-CG 4.5Å; M199-K241 HydrophobicContact CG-CB 4.36Å; M199-K241 HydrophobicContact CG-CD 4.2Å; M199-K241 HydrophobicContact CG-CG 4.47Å; M199-K241 HydrophobicContact SD-CB 3.85Å; M199-K241 HydrophobicContact SD-CD 4.29Å; M199-K241 HydrophobicContact SD-CG 3.95Å
200D98.7Very high98.7Very high74 Ų7461.3 Ų61.340%0.39633%0.33SS..Hα-helixtrans-66.6-32.6178.872.2-60.5000112.2Q198 Q203 K204Q198-D200 PolarHBondContact O-N 3.43Å; D200-Q203 PolarHBondContact O-N 3.18Å; D200-K204 WeakPolarHBondContact O-CB 3.06Å; D200-K204 VanDerWaalsContact O-CG 3.25Å; D200-K204 WeakPolarHBondContact O-CG 3.16Å; D200-K204 PolarHBondContact O-N 2.74Å; D200-K204 IonicContact OD2-NZ 3.24Å; D200-K204 PolarHBondContact OD2-NZ 3.17Å
201I98.8Very high98.8Very high51 Ų5157.1 Ų57.126%0.26230%0.301SS..Hα-helixtrans-73-41.9177-56.9-172.7000110.4L195 Q198 M199 Q203 K204 R205L195-I201 HydrophobicContact CD1-CB 4.14Å; L195-I201 HydrophobicContact CD1-CG2 3.68Å; L195-I201 HydrophobicContact CD2-CB 4.4Å; L195-I201 HydrophobicContact CD2-CD1 4.27Å; L195-I201 HydrophobicContact CD2-CG2 3.88Å; L195-I201 HydrophobicContact CG-CG2 4.42Å; Q198-I201 HydrophobicContact CB-CB 4.48Å; Q198-I201 HydrophobicContact CB-CD1 4.14Å; Q198-I201 HydrophobicContact CB-CG1 4.19Å; Q198-I201 PolarHBondContact O-N 3.02Å; M199-I201 VanDerWaalsContact C-N 3.31Å; M199-I201 PolarHBondContact O-N 3.21Å; I201-Q203 VanDerWaalsContact C-N 3.3Å; I201-Q203 PolarHBondContact O-N 2.68Å; I201-K204 PolarHBondContact O-N 2.96Å; I201-R205 HydrophobicContact CG2-CG 4.49Å; I201-R205 WeakPolarHBondContact O-CG 3.45Å; I201-R205 PolarHBondContact O-N 3.1Å
202Y98.9Very high98.8Very high8 Ų855.2 Ų55.23%0.03129%0.288CS..Hα-helixtrans-57.5-46.6172-71.9-74000110.9L158 I184 L195 Q198 M199 R205 C206 I239L158-Y202 HydrophobicContact CD1-CD1 3.92Å; L158-Y202 HydrophobicContact CD1-CE1 3.76Å; I184-Y202 HydrophobicContact CD1-CD1 3.89Å; I184-Y202 HydrophobicContact CD1-CD2 4.26Å; I184-Y202 HydrophobicContact CD1-CE1 3.76Å; I184-Y202 HydrophobicContact CD1-CE2 4.11Å; I184-Y202 HydrophobicContact CD1-CG 4.13Å; I184-Y202 HydrophobicContact CG1-CD2 4.29Å; I184-Y202 HydrophobicContact CG1-CE2 4.32Å; I184-Y202 HydrophobicContact CG1-CG 4.46Å; I184-Y202 HydrophobicContact CG2-CD2 3.97Å; I184-Y202 HydrophobicContact CG2-CE2 3.38Å; L195-Y202 HydrophobicContact CB-CD2 4.29Å; L195-Y202 HydrophobicContact CB-CE1 4.28Å; L195-Y202 HydrophobicContact CB-CE2 3.55Å; L195-Y202 HydrophobicContact CD1-CD1 3.93Å; L195-Y202 HydrophobicContact CD1-CD2 4.24Å; L195-Y202 HydrophobicContact CD1-CE1 3.77Å; L195-Y202 HydrophobicContact CD1-CE2 4.12Å; L195-Y202 HydrophobicContact CD1-CG 4.16Å; L195-Y202 HydrophobicContact CG-CE1 4.49Å; L195-Y202 HydrophobicContact CG-CE2 4.47Å; Q198-Y202 WeakPolarHBondContact O-CD2 3.4Å; Q198-Y202 PolarHBondContact O-N 2.77Å; M199-Y202 PolarHBondContact O-N 3.48Å; Y202-R205 PolarHBondContact O-N 3.15Å; Y202-C206 PolarHBondContact O-N 2.81Å; Y202-C206 PolarHBondContact O-SG 2.8Å; Y202-C206 VanDerWaalsContact O-SG 3.35Å; Y202-I239 HydrophobicContact CG-CG2 4.47Å
203Q98.9Very high98.8Very high56 Ų5653.8 Ų53.826%0.26228%0.28SS..Hα-helixtrans-57.2-53.6176.5-178.217818.300111.9M199 D200 I201 R205 C206 E207 A213 I215 I239M199-Q203 PolarHBondContact O-N 3.02Å; D200-Q203 PolarHBondContact O-N 3.18Å; I201-Q203 VanDerWaalsContact C-N 3.3Å; I201-Q203 PolarHBondContact O-N 2.68Å; Q203-R205 VanDerWaalsContact C-N 3.27Å; Q203-R205 PolarHBondContact O-N 3.09Å; Q203-C206 PolarHBondContact O-N 2.97Å; Q203-C206 VanDerWaalsContact O-N 3.14Å; Q203-E207 HydrophobicContact CG-CG 4.28Å; Q203-E207 VanDerWaalsContact CG-OE1 3.25Å; Q203-E207 WeakPolarHBondContact CG-OE1 3.47Å; Q203-E207 PolarHBondContact NE2-OE1 3.37Å; Q203-E207 WeakPolarHBondContact O-CG 3.2Å; Q203-E207 PolarHBondContact O-N 3Å; Q203-A213 HydrophobicContact CG-CB 3.87Å; Q203-I215 HydrophobicContact CB-CD1 4.04Å; Q203-I215 HydrophobicContact CB-CG1 4.31Å; Q203-I215 VanDerWaalsContact OE1-CD1 3.28Å; Q203-I239 HydrophobicContact CB-CD1 3.9Å
204K98.9Very high98.8Very high129 Ų12955.2 Ų55.256%0.56129%0.286SS*.Hα-helixtrans-56.4-40.8179.1-77168.8-177.9160.50112.2D200 I201 A208D200-K204 WeakPolarHBondContact O-CB 3.06Å; D200-K204 VanDerWaalsContact O-CG 3.25Å; D200-K204 WeakPolarHBondContact O-CG 3.16Å; D200-K204 PolarHBondContact O-N 2.74Å; D200-K204 IonicContact OD2-NZ 3.24Å; D200-K204 PolarHBondContact OD2-NZ 3.17Å; I201-K204 PolarHBondContact O-N 2.96Å; K204-A208 WeakPolarHBondContact O-CB 3.46Å; K204-A208 PolarHBondContact O-N 2.96Å
205R98.9Very high98.8Very high108 Ų10853.6 Ų53.641%0.40827%0.272SS..Hα-helixtrans-65.2-48.2176.7-71.3-179.2-179.7-170.41111.3W164 I201 Y202 Q203 E207 A208 F209W164-R205 HydrophobicContact CH2-CB 3.53Å; W164-R205 HydrophobicContact CH2-CG 4.18Å; W164-R205 HydrophobicContact CZ3-CB 3.77Å; I201-R205 HydrophobicContact CG2-CG 4.49Å; I201-R205 WeakPolarHBondContact O-CG 3.45Å; I201-R205 PolarHBondContact O-N 3.1Å; Y202-R205 PolarHBondContact O-N 3.15Å; Q203-R205 VanDerWaalsContact C-N 3.27Å; Q203-R205 PolarHBondContact O-N 3.09Å; R205-E207 PolarHBondContact O-N 2.83Å; R205-A208 PolarHBondContact O-N 2.6Å; R205-F209 VanDerWaalsContact O-CD2 3.23Å; R205-F209 WeakPolarHBondContact O-CD2 3.21Å; R205-F209 PolarHBondContact O-N 2.79Å; R205-F209 VanDerWaalsContact O-N 3.15Å
206C98.9Very high98.8Very high3 Ų353.2 Ų53.22%0.0227%0.27CS..Hα-helixtrans-59.6-45.9177.8-67.20000112.1M167 Y202 Q203 F209 G210 W211 A213 A237 I239M167-C206 HydrophobicContact CE-CB 4.04Å; Y202-C206 PolarHBondContact O-N 2.81Å; Y202-C206 PolarHBondContact O-SG 2.8Å; Y202-C206 VanDerWaalsContact O-SG 3.35Å; Q203-C206 PolarHBondContact O-N 2.97Å; Q203-C206 VanDerWaalsContact O-N 3.14Å; C206-F209 CarbonylContact O-C 3.54Å; C206-F209 PolarHBondContact O-N 2.91Å; C206-F209 VanDerWaalsContact O-N 3.17Å; C206-G210 PolarHBondContact O-N 2.83Å; C206-W211 HydrophobicContact CB-CB 4.36Å; C206-W211 WeakPolarHBondContact O-CB 3.42Å; C206-W211 PolarHBondContact O-N 3.41Å; C206-W211 VanDerWaalsContact O-N 3.09Å; C206-A213 HydrophobicContact CB-CB 3.96Å; C206-A237 HydrophobicContact CB-CB 4.1Å; C206-I239 HydrophobicContact CB-CD1 4.45Å
207E98.9Very high98.8Very high90 Ų9052.5 Ų52.542%0.42127%0.269SS..Hα-helixtrans-64-41.3178.7-70.3172.7173.700112Q203 R205 F209 G210 A213Q203-E207 HydrophobicContact CG-CG 4.28Å; Q203-E207 VanDerWaalsContact CG-OE1 3.25Å; Q203-E207 WeakPolarHBondContact CG-OE1 3.47Å; Q203-E207 PolarHBondContact NE2-OE1 3.37Å; Q203-E207 WeakPolarHBondContact O-CG 3.2Å; Q203-E207 PolarHBondContact O-N 3Å; R205-E207 PolarHBondContact O-N 2.83Å; E207-F209 PolarHBondContact O-N 3.4Å; E207-G210 WeakPolarHBondContact O-CA 3.49Å; E207-G210 PolarHBondContact O-N 2.88Å; E207-A213 HydrophobicContact CG-CB 3.79Å
208A98.8Very high98.8Very high85 Ų8550.6 Ų50.670%0.70226%0.26SS*.Hα-helixtrans-61.6-28.8175.300000112.7K204 R205 G210K204-A208 WeakPolarHBondContact O-CB 3.46Å; K204-A208 PolarHBondContact O-N 2.96Å; R205-A208 PolarHBondContact O-N 2.6Å; A208-G210 VanDerWaalsContact C-N 3.27Å
209F98.8Very high98.8Very high73 Ų7347.2 Ų47.232%0.3224%0.244SC..THydrogen-bonded Turntrans-86.37.7173.2-81.3-106.6000113.2W164 M167 A168 S171 R205 C206 E207W164-F209 HydrophobicContact CB-CE1 3.93Å; W164-F209 HydrophobicContact CB-CZ 4.14Å; W164-F209 HydrophobicContact CD2-CE2 4.46Å; W164-F209 HydrophobicContact CD2-CZ 4.21Å; W164-F209 HydrophobicContact CE3-CD1 4.1Å; W164-F209 AromaticContact CE3-CD2 3.77Å; W164-F209 HydrophobicContact CE3-CD2 3.77Å; W164-F209 AromaticContact CE3-CE1 3.88Å; W164-F209 HydrophobicContact CE3-CE1 3.88Å; W164-F209 AromaticContact CE3-CE2 3.51Å; W164-F209 HydrophobicContact CE3-CE2 3.51Å; W164-F209 HydrophobicContact CE3-CG 4.04Å; W164-F209 AromaticContact CE3-CZ 3.57Å; W164-F209 HydrophobicContact CE3-CZ 3.57Å; W164-F209 HydrophobicContact CG-CZ 4.47Å; W164-F209 AromaticContact CZ3-CD2 3.88Å; W164-F209 HydrophobicContact CZ3-CD2 3.88Å; W164-F209 AromaticContact CZ3-CE2 3.89Å; W164-F209 HydrophobicContact CZ3-CE2 3.89Å; W164-F209 HydrophobicContact CZ3-CG 4.35Å; W164-F209 HydrophobicContact CZ3-CZ 4.41Å; M167-F209 HydrophobicContact CB-CB 4.23Å; M167-F209 HydrophobicContact CB-CD1 3.98Å; M167-F209 HydrophobicContact CB-CG 4.36Å; A168-F209 HydrophobicContact CB-CD1 4.12Å; A168-F209 HydrophobicContact CB-CE1 4.4Å; S171-F209 WeakPolarHBondContact CB-O 3.46Å; S171-F209 PolarHBondContact OG-O 3.18Å; R205-F209 VanDerWaalsContact O-CD2 3.23Å; R205-F209 WeakPolarHBondContact O-CD2 3.21Å; R205-F209 PolarHBondContact O-N 2.79Å; R205-F209 VanDerWaalsContact O-N 3.15Å; C206-F209 CarbonylContact O-C 3.54Å; C206-F209 PolarHBondContact O-N 2.91Å; C206-F209 VanDerWaalsContact O-N 3.17Å; E207-F209 PolarHBondContact O-N 3.4Å
210G98.7Very high98.8Very high27 Ų2747.6 Ų47.628%0.27825%0.249SC..THydrogen-bonded Turntrans87.515172.500000115.5C206 E207 A208 Q234C206-G210 PolarHBondContact O-N 2.83Å; E207-G210 WeakPolarHBondContact O-CA 3.49Å; E207-G210 PolarHBondContact O-N 2.88Å; A208-G210 VanDerWaalsContact C-N 3.27Å; G210-Q234 PolarHBondContact O-NE2 3.38Å
211W98.9Very high98.8Very high4 Ų444.2 Ų44.22%0.01523%0.231CC..  trans-92.2149.7179.9-71.358.4000112.2L129 M167 A170 L178 A180 C206 A213 P235 T236 A237L129-W211 HydrophobicContact CD1-CH2 4.21Å; M167-W211 HydrophobicContact CE-CB 4.28Å; M167-W211 HydrophobicContact CE-CD2 3.62Å; M167-W211 HydrophobicContact CE-CE3 4.31Å; M167-W211 HydrophobicContact CE-CG 3.57Å; M167-W211 HydrophobicContact CE-CZ2 4.37Å; M167-W211 PolarHBondContact O-NE1 3.05Å; M167-W211 HydrophobicContact SD-CD2 3.84Å; M167-W211 HydrophobicContact SD-CE3 4.3Å; M167-W211 HydrophobicContact SD-CG 4.37Å; M167-W211 HydrophobicContact SD-CH2 4.02Å; M167-W211 HydrophobicContact SD-CZ2 3.48Å; M167-W211 WeakPolarHBondContact SD-CZ2 3.48Å; M167-W211 HydrophobicContact SD-CZ3 4.41Å; A170-W211 HydrophobicContact CB-CH2 4.1Å; A170-W211 HydrophobicContact CB-CZ2 3.29Å; L178-W211 HydrophobicContact CD2-CH2 3.62Å; L178-W211 HydrophobicContact CD2-CZ2 4.2Å; L178-W211 HydrophobicContact CG-CH2 4.02Å; A180-W211 HydrophobicContact CB-CE3 4.43Å; A180-W211 HydrophobicContact CB-CH2 3.93Å; A180-W211 HydrophobicContact CB-CZ3 3.56Å; C206-W211 HydrophobicContact CB-CB 4.36Å; C206-W211 WeakPolarHBondContact O-CB 3.42Å; C206-W211 PolarHBondContact O-N 3.41Å; C206-W211 VanDerWaalsContact O-N 3.09Å; W211-A213 PolarHBondContact O-N 2.77Å; W211-P235 WeakPolarHBondContact CA-O 3.28Å; W211-P235 HydrophobicContact CD2-CB 3.66Å; W211-P235 HydrophobicContact CD2-CG 3.68Å; W211-P235 VanDerWaalsContact CE3-C 3.46Å; W211-P235 HydrophobicContact CE3-CB 3.62Å; W211-P235 HydrophobicContact CE3-CG 4.15Å; W211-P235 HydrophobicContact CG-CB 4.38Å; W211-P235 HydrophobicContact CG-CG 3.92Å; W211-P235 HydrophobicContact CH2-CB 3.8Å; W211-P235 HydrophobicContact CZ2-CB 3.84Å; W211-P235 HydrophobicContact CZ2-CG 4.24Å; W211-P235 HydrophobicContact CZ3-CB 3.68Å; W211-T236 VanDerWaalsContact CE3-C 3.46Å; W211-T236 WeakPolarHBondContact CZ3-O 3.2Å; W211-A237 HydrophobicContact CB-CB 4.47Å; W211-A237 HydrophobicContact CE3-CB 3.99Å
212H98.8Very high98.8Very high56 Ų5646.3 Ų46.326%0.25924%0.24SC..EExtended strand (participates in β ladder)trans-78.8110.3164.8-178.161.5000109.2K232 Q234 P235 T236 A237H212-K232 VanDerWaalsContact NE2-CE 3.32Å; H212-K232 WeakPolarHBondContact NE2-CE 3.36Å; H212-K232 PolarHBondContact NE2-NZ 3.17Å; H212-Q234 HydrophobicContact CB-CB 4.28Å; H212-P235 PolarHBondContact N-O 2.91Å; H212-T236 CarbonylContact O-C 3.6Å; H212-T236 WeakPolarHBondContact O-CA 3.41Å; H212-A237 PolarHBondContact O-N 2.68Å
213A98.7Very high98.8Very high7 Ų749.8 Ų49.86%0.05826%0.256CS..EExtended strand (participates in β ladder)trans-102.3131-175.700000111.9Q203 C206 E207 W211 A237 I239Q203-A213 HydrophobicContact CG-CB 3.87Å; C206-A213 HydrophobicContact CB-CB 3.96Å; E207-A213 HydrophobicContact CG-CB 3.79Å; W211-A213 PolarHBondContact O-N 2.77Å; A213-A237 CarbonylContact C-O 3.45Å; A213-A237 WeakPolarHBondContact CA-O 3.44Å; A213-I239 HydrophobicContact CB-CD1 3.9Å
214I98.7Very high98.8Very high32 Ų3247.1 Ų47.116%0.16424%0.244CC..EExtended strand (participates in β ladder)trans-128.1116179.1-51.1176.9000108.3V216 A227 T236 A237 I238 I239I214-V216 HydrophobicContact CG2-CG1 4.02Å; I214-A227 HydrophobicContact CG2-CB 4.41Å; I214-T236 HydrophobicContact CD1-CG2 4.33Å; I214-A237 PolarHBondContact N-O 3.45Å; I214-I238 HydrophobicContact CB-CD1 3.96Å; I214-I238 HydrophobicContact CD1-CD1 3.89Å; I214-I238 HydrophobicContact CG1-CD1 4.24Å; I214-I239 PolarHBondContact O-N 3.21Å
215I98.9Very high98.7Very high66 Ų6641 Ų4134%0.33822%0.217SC..EExtended strand (participates in β ladder)trans-79.5134.5170.5-61168.4000108.8M199 Q203 I239M199-I215 HydrophobicContact CB-CD1 3.86Å; M199-I215 HydrophobicContact CB-CG1 4.37Å; M199-I215 HydrophobicContact CB-CG2 4.23Å; M199-I215 HydrophobicContact CE-CG2 4.45Å; Q203-I215 HydrophobicContact CB-CD1 4.04Å; Q203-I215 HydrophobicContact CB-CG1 4.31Å; Q203-I215 VanDerWaalsContact OE1-CD1 3.28Å; I215-I239 WeakPolarHBondContact CA-O 3.2Å; I215-I239 HydrophobicContact CG1-CB 4.28Å
216V98.8Very high98.7Very high9 Ų942.1 Ų42.16%0.05523%0.225CC..EExtended strand (participates in β ladder)trans-137.1157.2176-61.60000110.9I214 G218 E223 L224 A227 I238 I239 A240 K241I214-V216 HydrophobicContact CG2-CG1 4.02Å; V216-G218 PolarHBondContact O-N 3.03Å; V216-E223 WeakPolarHBondContact CA-OE2 3.45Å; V216-E223 HydrophobicContact CB-CB 4.24Å; V216-E223 HydrophobicContact CG1-CB 4.38Å; V216-L224 HydrophobicContact CG2-CD2 4.04Å; V216-A227 HydrophobicContact CG1-CB 3.84Å; V216-I238 HydrophobicContact CG1-CG2 4.38Å; V216-I238 HydrophobicContact CG2-CG2 3.64Å; V216-I239 PolarHBondContact N-O 3.16Å; V216-I239 VanDerWaalsContact N-O 3.14Å; V216-A240 HydrophobicContact CG2-CB 3.98Å; V216-K241 PolarHBondContact O-N 2.86Å
217D98.8Very high98.6Very high73 Ų7342.2 Ų42.239%0.3923%0.226SC..EExtended strand (participates in β ladder)trans-68.7110.7156-179.6-6000108.8H219 S220 E223D217-H219 PolarHBondContact O-N 3.23Å; D217-H219 VanDerWaalsContact O-N 3.15Å; D217-H219 PolarHBondContact OD1-N 2.89Å; D217-S220 WeakPolarHBondContact O-CB 3.26Å; D217-S220 PolarHBondContact O-N 3.49Å; D217-E223 PolarHBondContact N-OE2 3.43Å
218G98.8Very high98.5Very high0 Ų038.4 Ų38.40%021%0.208CC..THydrogen-bonded Turntrans-68.3-8.8-178.500000114.6V216 K241V216-G218 PolarHBondContact O-N 3.03Å; G218-K241 WeakPolarHBondContact CA-O 3.37Å; G218-K241 PolarHBondContact N-O 2.66Å
219H98.8Very high98Very high21 Ų2135.8 Ų35.810%0.09719%0.19CC..THydrogen-bonded Turntrans-104.92172.7-58.8-48.4000113S43 E46 D217 T242 F243 R246S43-H219 PolarHBondContact O-CE1 2.73Å; E46-H219 IonicContact OE2-CE1 2.95Å; E46-H219 IonicContact OE2-CG 2.85Å; E46-H219 IonicContact OE2-ND1 3.81Å; E46-H219 PolarHBondContact OE2-ND1 2.63Å; D217-H219 PolarHBondContact O-N 3.23Å; D217-H219 VanDerWaalsContact O-N 3.15Å; D217-H219 PolarHBondContact OD1-N 2.89Å; H219-T242 WeakPolarHBondContact NE2-CA 3.36Å; H219-F243 PolarHBondContact NE2-N 2.74Å; H219-R246 VanDerWaalsContact CE1-CG 3.43Å; H219-R246 WeakPolarHBondContact CE1-CG 3.18Å
220S98.8Very high97.5Very high27 Ų2735.7 Ų35.719%0.18919%0.19CC..  trans-91.6100.3171.5-179.90000110.2D217 E222 E223 L224D217-S220 WeakPolarHBondContact O-CB 3.26Å; D217-S220 PolarHBondContact O-N 3.49Å; S220-E222 PolarHBondContact O-N 3.23Å; S220-E222 VanDerWaalsContact O-N 3.17Å; S220-E223 PolarHBondContact O-N 2.84Å; S220-E223 WeakPolarHBondContact OG-CG 3.42Å; S220-E223 PolarHBondContact OG-N 3.23Å; S220-L224 WeakPolarHBondContact O-CG 3.43Å; S220-L224 PolarHBondContact O-N 3.25Å
221V98.6Very high96.5Very high3 Ų336.7 Ų36.72%0.01820%0.196CC..Hα-helixtrans-57.2-29.5175.4-67.20000112.6L12 L15 K16 E46 V50 C225L12-V221 HydrophobicContact CB-CG2 4.29Å; L12-V221 HydrophobicContact CD2-CG2 4.02Å; L15-V221 HydrophobicContact CB-CB 4.27Å; L15-V221 HydrophobicContact CB-CG1 4.1Å; K16-V221 HydrophobicContact CD-CG2 4.4Å; K16-V221 HydrophobicContact CG-CG1 4.14Å; K16-V221 HydrophobicContact CG-CG2 3.79Å; E46-V221 HydrophobicContact CB-CG1 3.97Å; E46-V221 HydrophobicContact CG-CG1 3.71Å; V50-V221 HydrophobicContact CG2-CB 3.92Å; V50-V221 HydrophobicContact CG2-CG1 3.97Å; V221-C225 WeakPolarHBondContact O-CB 3.37Å; V221-C225 PolarHBondContact O-N 3.13Å; V221-C225 PolarHBondContact O-SG 2.88Å
222E98.6Very high95.9Very high95 Ų9539.1 Ų39.144%0.44421%0.207SC..Hα-helixtrans-73-45.3178.6-173.7172.5-165.700111.9L12 S220 C225 K226L12-E222 HydrophobicContact CD1-CB 4.1Å; L12-E222 HydrophobicContact CD1-CG 4.12Å; L12-E222 HydrophobicContact CD2-CB 3.87Å; L12-E222 HydrophobicContact CD2-CG 4.34Å; S220-E222 PolarHBondContact O-N 3.23Å; S220-E222 VanDerWaalsContact O-N 3.17Å; E222-C225 PolarHBondContact O-N 2.83Å; E222-K226 WeakPolarHBondContact O-CB 3.47Å; E222-K226 PolarHBondContact O-N 3.01Å
223E98.5Very high95.8Very high82 Ų8244.3 Ų44.338%0.38323%0.231SC..Hα-helixtrans-63.5-42.8175.9-73-177.4-142.800111.5V216 D217 S220 K226 A227V216-E223 WeakPolarHBondContact CA-OE2 3.45Å; V216-E223 HydrophobicContact CB-CB 4.24Å; V216-E223 HydrophobicContact CG1-CB 4.38Å; D217-E223 PolarHBondContact N-OE2 3.43Å; S220-E223 PolarHBondContact O-N 2.84Å; S220-E223 WeakPolarHBondContact OG-CG 3.42Å; S220-E223 PolarHBondContact OG-N 3.23Å; E223-K226 PolarHBondContact O-N 3.16Å; E223-A227 VanDerWaalsContact O-CB 3.25Å; E223-A227 WeakPolarHBondContact O-CB 3.34Å; E223-A227 PolarHBondContact O-N 3.44Å
224L98.7Very high95.7Very high0 Ų048.1 Ų48.10%025%0.247CC..Hα-helixtrans-59.9-49.3175.3-71.6169.1000111.5E46 I47 V50 V216 S220 K226 A227 F228 I238E46-L224 HydrophobicContact CB-CD1 3.77Å; I47-L224 HydrophobicContact CG1-CD1 4.1Å; I47-L224 HydrophobicContact CG1-CD2 4.04Å; V50-L224 HydrophobicContact CB-CB 4.17Å; V50-L224 HydrophobicContact CG1-CB 3.93Å; V50-L224 HydrophobicContact CG2-CB 4.01Å; V50-L224 HydrophobicContact CG2-CD1 4.19Å; V216-L224 HydrophobicContact CG2-CD2 4.04Å; S220-L224 WeakPolarHBondContact O-CG 3.43Å; S220-L224 PolarHBondContact O-N 3.25Å; L224-K226 VanDerWaalsContact C-N 3.29Å; L224-K226 PolarHBondContact O-N 3.06Å; L224-A227 PolarHBondContact O-N 3.5Å; L224-F228 HydrophobicContact CB-CD2 4.34Å; L224-F228 HydrophobicContact CB-CE2 4.06Å; L224-F228 HydrophobicContact CD2-CE2 3.95Å; L224-F228 HydrophobicContact CD2-CZ 4.19Å; L224-F228 WeakPolarHBondContact O-CD2 3.42Å; L224-F228 WeakPolarHBondContact O-CG 3.48Å; L224-F228 PolarHBondContact O-N 3.12Å; L224-I238 HydrophobicContact CD2-CG2 4.46Å
225C98.4Very high95.7Very high0 Ų046.6 Ų46.60%024%0.24CC..Hα-helixtrans-55.2-45.8175.5-80.40000111.4Y4 P7 V50 H54 V221 E222 G229Y4-C225 VanDerWaalsContact CE2-O 3.25Å; Y4-C225 WeakPolarHBondContact CE2-O 3.25Å; Y4-C225 PolarHBondContact OH-O 3.46Å; P7-C225 HydrophobicContact CG-CB 3.95Å; V50-C225 HydrophobicContact CG1-CB 4.45Å; H54-C225 PolarHBondContact CD2-SG 3.43Å; V221-C225 WeakPolarHBondContact O-CB 3.37Å; V221-C225 PolarHBondContact O-N 3.13Å; V221-C225 PolarHBondContact O-SG 2.88Å; E222-C225 PolarHBondContact O-N 2.83Å; C225-G229 PolarHBondContact O-N 3.38Å
226K97.5Very high95.7Very high131 Ų13143.7 Ų43.757%0.5723%0.225SC*.Hα-helixtrans-67-39.5-179.9-178.9-177.1176.3-172.70112.3Y4 E222 E223 L224 Q230Y4-K226 PolarHBondContact OH-N 3.11Å; E222-K226 WeakPolarHBondContact O-CB 3.47Å; E222-K226 PolarHBondContact O-N 3.01Å; E223-K226 PolarHBondContact O-N 3.16Å; L224-K226 VanDerWaalsContact C-N 3.29Å; L224-K226 PolarHBondContact O-N 3.06Å; K226-Q230 WeakPolarHBondContact O-CG 3.33Å; K226-Q230 PolarHBondContact O-NE2 3.47Å
227A97.6Very high95.7Very high5 Ų543.2 Ų43.24%0.04122%0.222CC..Hα-helixtrans-71.6-43.7-177.400000111.4I214 V216 E223 L224 I238I214-A227 HydrophobicContact CG2-CB 4.41Å; V216-A227 HydrophobicContact CG1-CB 3.84Å; E223-A227 VanDerWaalsContact O-CB 3.25Å; E223-A227 WeakPolarHBondContact O-CB 3.34Å; E223-A227 PolarHBondContact O-N 3.44Å; L224-A227 PolarHBondContact O-N 3.5Å; A227-I238 HydrophobicContact CB-CD1 3.91Å
228F96.7Very high95.7Very high10 Ų1039.8 Ų39.84%0.04420%0.204CC..Hα-helixtrans-71.4-28.4176.4-65-49.9000113.8V50 L51 T55 Y150 V179 I181 L224 Q230 I238V50-F228 HydrophobicContact CG1-CD2 3.76Å; V50-F228 HydrophobicContact CG1-CE2 4.09Å; L51-F228 HydrophobicContact CD2-CD1 4.21Å; L51-F228 HydrophobicContact CD2-CD2 4.1Å; L51-F228 HydrophobicContact CD2-CE1 3.96Å; L51-F228 HydrophobicContact CD2-CE2 3.84Å; L51-F228 HydrophobicContact CD2-CG 4.3Å; L51-F228 HydrophobicContact CD2-CZ 3.78Å; L51-F228 HydrophobicContact CG-CE2 4.01Å; L51-F228 HydrophobicContact CG-CZ 4.07Å; T55-F228 HydrophobicContact CG2-CB 3.54Å; T55-F228 HydrophobicContact CG2-CG 4.11Å; Y150-F228 HydrophobicContact CE1-CD1 4.44Å; V179-F228 HydrophobicContact CG1-CD1 4.23Å; V179-F228 HydrophobicContact CG1-CE1 4.12Å; I181-F228 HydrophobicContact CD1-CE1 4.19Å; I181-F228 HydrophobicContact CG1-CE1 3.58Å; I181-F228 HydrophobicContact CG1-CZ 3.72Å; L224-F228 HydrophobicContact CB-CD2 4.34Å; L224-F228 HydrophobicContact CB-CE2 4.06Å; L224-F228 HydrophobicContact CD2-CE2 3.95Å; L224-F228 HydrophobicContact CD2-CZ 4.19Å; L224-F228 WeakPolarHBondContact O-CD2 3.42Å; L224-F228 WeakPolarHBondContact O-CG 3.48Å; L224-F228 PolarHBondContact O-N 3.12Å; F228-Q230 PolarHBondContact O-N 3.25Å; F228-Q230 VanDerWaalsContact O-N 3.15Å; F228-I238 HydrophobicContact CD1-CG1 3.97Å; F228-I238 HydrophobicContact CE1-CB 4.21Å; F228-I238 HydrophobicContact CE1-CG1 3.64Å; F228-I238 HydrophobicContact CE1-CG2 4.43Å
229G88.9Confident95.7Very high31 Ų3139.8 Ų39.832%0.3220%0.204SC..THydrogen-bonded Turntrans-68.6-5.8-179.500000115.5C225C225-G229 PolarHBondContact O-N 3.38Å
230Q86.5Confident95.7Very high70 Ų7038.8 Ų38.833%0.32720%0.199SC..  trans-104.7103.1-176.9-60.7170.334.900110.6K226 F228K226-Q230 WeakPolarHBondContact O-CG 3.33Å; K226-Q230 PolarHBondContact O-NE2 3.47Å; F228-Q230 PolarHBondContact O-N 3.25Å; F228-Q230 VanDerWaalsContact O-N 3.15Å
231A78.4Confident95.7Very high49 Ų4941.4 Ų41.441%0.40521%0.207SC..  trans-62.1147.4165.600000110.5M1M1-A231 HydrophobicContact CE-CB 3.86Å; M1-A231 HydrophobicContact SD-CB 3.6Å
232K87.4Confident95.8Very high54 Ų5441.3 Ų41.324%0.23521%0.206CC..  trans-133173.6-178.9-56.5-66171.5175.90109.5D176 H212 T236D176-K232 WeakPolarHBondContact CB-O 3.12Å; H212-K232 VanDerWaalsContact NE2-CE 3.32Å; H212-K232 WeakPolarHBondContact NE2-CE 3.36Å; H212-K232 PolarHBondContact NE2-NZ 3.17Å; K232-T236 WeakPolarHBondContact CG-OG1 3.3Å
233H94.8Very high95.8Very high165 Ų16539.6 Ų39.676%0.76420%0.198SC*.SBendtrans-101.513.6173.6-62-59.8000112.9
234Q97.8Very high95.8Very high87 Ų8736.2 Ų36.241%0.40718%0.182SC..SBendtrans-135157.5179.5-71174.1-88.800108.4G210 H212 T236G210-Q234 PolarHBondContact O-NE2 3.38Å; H212-Q234 HydrophobicContact CB-CB 4.28Å; Q234-T236 PolarHBondContact O-N 2.77Å
235P98.8Very high95.8Very high1 Ų136.2 Ų36.21%0.00618%0.182CC..  trans-58.2139163.530.9-37.9000109.6A170 L175 W211 H212A170-P235 HydrophobicContact CB-CB 4.04Å; A170-P235 HydrophobicContact CB-CG 4.09Å; L175-P235 VanDerWaalsContact O-CA 3.28Å; L175-P235 WeakPolarHBondContact O-CA 3.37Å; L175-P235 WeakPolarHBondContact O-CB 3.27Å; W211-P235 WeakPolarHBondContact CA-O 3.28Å; W211-P235 HydrophobicContact CD2-CB 3.66Å; W211-P235 HydrophobicContact CD2-CG 3.68Å; W211-P235 VanDerWaalsContact CE3-C 3.46Å; W211-P235 HydrophobicContact CE3-CB 3.62Å; W211-P235 HydrophobicContact CE3-CG 4.15Å; W211-P235 HydrophobicContact CG-CB 4.38Å; W211-P235 HydrophobicContact CG-CG 3.92Å; W211-P235 HydrophobicContact CH2-CB 3.8Å; W211-P235 HydrophobicContact CZ2-CB 3.84Å; W211-P235 HydrophobicContact CZ2-CG 4.24Å; W211-P235 HydrophobicContact CZ3-CB 3.68Å; H212-P235 PolarHBondContact N-O 2.91Å
236T98.9Very high95.8Very high4 Ų440.4 Ų40.43%0.02520%0.197CC..EExtended strand (participates in β ladder)trans-110.5129.4-171.9-63.70000111.3L178 V179 A180 W211 H212 I214 K232 Q234 I238L178-T236 PolarHBondContact O-N 3.49Å; L178-T236 VanDerWaalsContact O-N 3.12Å; V179-T236 CarbonylContact C-O 3.54Å; V179-T236 VanDerWaalsContact CA-O 3.28Å; V179-T236 WeakPolarHBondContact CA-O 3.46Å; A180-T236 PolarHBondContact N-O 3.44Å; W211-T236 VanDerWaalsContact CE3-C 3.46Å; W211-T236 WeakPolarHBondContact CZ3-O 3.2Å; H212-T236 CarbonylContact O-C 3.6Å; H212-T236 WeakPolarHBondContact O-CA 3.41Å; I214-T236 HydrophobicContact CD1-CG2 4.33Å; K232-T236 WeakPolarHBondContact CG-OG1 3.3Å; Q234-T236 PolarHBondContact O-N 2.77Å; T236-I238 HydrophobicContact CG2-CD1 3.68Å; T236-I238 HydrophobicContact CG2-CG1 4.37Å
237A98.9Very high95.8Very high0 Ų035.1 Ų35.10%018%0.18CC..EExtended strand (participates in β ladder)trans-105.6113173.400000109.5A180 C206 W211 H212 A213 I214 I239A180-A237 CarbonylContact O-C 3.53Å; A180-A237 WeakPolarHBondContact O-CA 3.4Å; C206-A237 HydrophobicContact CB-CB 4.1Å; W211-A237 HydrophobicContact CB-CB 4.47Å; W211-A237 HydrophobicContact CE3-CB 3.99Å; H212-A237 PolarHBondContact O-N 2.68Å; A213-A237 CarbonylContact C-O 3.45Å; A213-A237 WeakPolarHBondContact CA-O 3.44Å; I214-A237 PolarHBondContact N-O 3.45Å; A237-I239 HydrophobicContact CB-CG1 4.44Å
238I98.8Very high95.9Very high0 Ų034.9 Ų34.90%018%0.178CC..EExtended strand (participates in β ladder)trans-90.2107.1169.6-55.1-50.9000107.8V179 A180 I181 L182 I214 V216 L224 A227 F228 T236 A240V179-I238 HydrophobicContact CG1-CG1 3.92Å; A180-I238 PolarHBondContact O-N 3.36Å; I181-I238 WeakPolarHBondContact CA-O 3.32Å; I181-I238 HydrophobicContact CG1-CB 4.49Å; I181-I238 HydrophobicContact CG2-CB 4.49Å; L182-I238 PolarHBondContact N-O 3.04Å; I214-I238 HydrophobicContact CB-CD1 3.96Å; I214-I238 HydrophobicContact CD1-CD1 3.89Å; I214-I238 HydrophobicContact CG1-CD1 4.24Å; V216-I238 HydrophobicContact CG1-CG2 4.38Å; V216-I238 HydrophobicContact CG2-CG2 3.64Å; L224-I238 HydrophobicContact CD2-CG2 4.46Å; A227-I238 HydrophobicContact CB-CD1 3.91Å; F228-I238 HydrophobicContact CD1-CG1 3.97Å; F228-I238 HydrophobicContact CE1-CB 4.21Å; F228-I238 HydrophobicContact CE1-CG1 3.64Å; F228-I238 HydrophobicContact CE1-CG2 4.43Å; T236-I238 HydrophobicContact CG2-CD1 3.68Å; T236-I238 HydrophobicContact CG2-CG1 4.37Å; I238-A240 PolarHBondContact O-N 3.28Å
239I98.9Very high95.9Very high0 Ų038.7 Ų38.70%020%0.202CC..EExtended strand (participates in β ladder)trans-94.488.2-175.7-45.8-175.8000107.7L182 I184 M199 Y202 Q203 C206 A213 I214 I215 V216 A237 K241L182-I239 HydrophobicContact CD1-CG1 4.11Å; L182-I239 HydrophobicContact CD1-CG2 4.44Å; I184-I239 HydrophobicContact CD1-CG2 4.47Å; I184-I239 HydrophobicContact CG1-CG2 3.76Å; M199-I239 HydrophobicContact CE-CG2 3.54Å; Y202-I239 HydrophobicContact CG-CG2 4.47Å; Q203-I239 HydrophobicContact CB-CD1 3.9Å; C206-I239 HydrophobicContact CB-CD1 4.45Å; A213-I239 HydrophobicContact CB-CD1 3.9Å; I214-I239 PolarHBondContact O-N 3.21Å; I215-I239 WeakPolarHBondContact CA-O 3.2Å; I215-I239 HydrophobicContact CG1-CB 4.28Å; V216-I239 PolarHBondContact N-O 3.16Å; V216-I239 VanDerWaalsContact N-O 3.14Å; A237-I239 HydrophobicContact CB-CG1 4.44Å; I239-K241 PolarHBondContact O-N 3.41Å
240A98.9Very high96.3Very high0 Ų040.1 Ų40.10%022%0.217CC..EExtended strand (participates in β ladder)trans-86.1112.8-172.700000110I47 L182 I184 V216 I238 T242I47-A240 HydrophobicContact CD1-CB 3.9Å; L182-A240 WeakPolarHBondContact O-CB 3.46Å; L182-A240 PolarHBondContact O-N 2.9Å; I184-A240 WeakPolarHBondContact CA-O 3.41Å; I184-A240 WeakPolarHBondContact CB-O 3.25Å; I184-A240 PolarHBondContact N-O 3.4Å; V216-A240 HydrophobicContact CG2-CB 3.98Å; I238-A240 PolarHBondContact O-N 3.28Å; A240-T242 HydrophobicContact CB-CG2 4.23Å; A240-T242 PolarHBondContact O-N 3.37Å
241K98.9Very high96.9Very high83 Ų8336.9 Ų36.936%0.36120%0.202SC..EExtended strand (participates in β ladder)trans-73.2120167.9-174.5178177179.70108.5M199 V216 G218 I239M199-K241 HydrophobicContact CE-CB 3.75Å; M199-K241 HydrophobicContact CE-CG 4.5Å; M199-K241 HydrophobicContact CG-CB 4.36Å; M199-K241 HydrophobicContact CG-CD 4.2Å; M199-K241 HydrophobicContact CG-CG 4.47Å; M199-K241 HydrophobicContact SD-CB 3.85Å; M199-K241 HydrophobicContact SD-CD 4.29Å; M199-K241 HydrophobicContact SD-CG 3.95Å; V216-K241 PolarHBondContact O-N 2.86Å; G218-K241 WeakPolarHBondContact CA-O 3.37Å; G218-K241 PolarHBondContact N-O 2.66Å; I239-K241 PolarHBondContact O-N 3.41Å
242T98.9Very high97.9Very high0 Ų036.9 Ų36.90%019%0.193CC..  trans-134.4177.4-176.7550000110.4S43 I47 D183 I184 N185 H197 H219 A240S43-T242 WeakPolarHBondContact O-CG2 3.32Å; I47-T242 HydrophobicContact CD1-CG2 4.35Å; D183-T242 WeakPolarHBondContact OD1-CB 3.45Å; D183-T242 WeakPolarHBondContact OD1-CG2 3.41Å; D183-T242 PolarHBondContact OD1-OG1 2.78Å; I184-T242 VanDerWaalsContact C-OG1 3.29Å; I184-T242 PolarHBondContact O-N 2.86Å; I184-T242 PolarHBondContact O-OG1 2.79Å; N185-T242 WeakPolarHBondContact CA-O 3.49Å; N185-T242 WeakPolarHBondContact CA-OG1 3.31Å; N185-T242 WeakPolarHBondContact CB-OG1 3.4Å; N185-T242 PolarHBondContact N-OG1 3.41Å; H197-T242 PolarHBondContact CE1-O 3.38Å; H197-T242 PolarHBondContact NE2-O 3.35Å; H219-T242 WeakPolarHBondContact NE2-CA 3.36Å; A240-T242 HydrophobicContact CB-CG2 4.23Å; A240-T242 PolarHBondContact O-N 3.37Å
243F98.9Very high98.4Very high60 Ų6036.9 Ų36.926%0.26320%0.196SC..  trans-124.6128.2171.5-62.4-83000109.9S43 H197 H219 G245 R246 E252 D253S43-F243 WeakPolarHBondContact CB-O 3.32Å; H197-F243 AromaticContact CE1-CD1 3.85Å; H197-F243 AromaticContact CE1-CE1 3.67Å; H219-F243 PolarHBondContact NE2-N 2.74Å; F243-G245 PolarHBondContact O-N 3.32Å; F243-R246 WeakPolarHBondContact O-CB 3.35Å; F243-R246 PolarHBondContact O-N 3.09Å; F243-E252 HydrophobicContact CB-CG 3.73Å; F243-D253 HydrophobicContact CD1-CB 3.94Å
244K98.8Very high98.6Very high11 Ų1134.6 Ų34.65%0.04818%0.184CC..THydrogen-bonded Turntrans-63.6131.6177.9-157.7166.7-168.1159.90109.2N185 L187 G188 E252 D253 H258N185-K244 HydrophobicContact CB-CB 4.04Å; L187-K244 HydrophobicContact CB-CB 4.37Å; L187-K244 HydrophobicContact CB-CD 3.62Å; L187-K244 HydrophobicContact CD1-CB 4.17Å; L187-K244 HydrophobicContact CD1-CD 4.32Å; L187-K244 PolarHBondContact O-NZ 3.18Å; G188-K244 PolarHBondContact O-NZ 3.28Å; K244-E252 WeakPolarHBondContact O-CA 3.4Å; K244-D253 PolarHBondContact O-N 3.46Å; K244-H258 PolarHBondContact NZ-ND1 3.19Å
245G98.6Very high98.6Very high0 Ų034.8 Ų34.80%019%0.185CC..THydrogen-bonded Turntrans7519.7-173.400000115T39 F243 G247 I248T39-G245 PolarHBondContact O-N 2.61Å; F243-G245 PolarHBondContact O-N 3.32Å; G245-G247 PolarHBondContact O-N 3.44Å; G245-I248 VanDerWaalsContact O-CB 3.32Å; G245-I248 WeakPolarHBondContact O-CB 3.43Å; G245-I248 WeakPolarHBondContact O-CG1 3.23Å; G245-I248 PolarHBondContact O-N 3Å
246R98.8Very high98.6Very high88 Ų8838.9 Ų38.933%0.33221%0.213SC..THydrogen-bonded Turntrans-43.9126.4178.8-179.666.8173.7167.8-0.9113.2R23 C42 H219 F243 I248 E252R23-R246 WeakPolarHBondContact CD-O 3.35Å; R23-R246 PolarHBondContact NE-O 3.44Å; R23-R246 VanDerWaalsContact NH2-CG 3.31Å; C42-R246 WeakPolarHBondContact CB-O 3Å; H219-R246 VanDerWaalsContact CE1-CG 3.43Å; H219-R246 WeakPolarHBondContact CE1-CG 3.18Å; F243-R246 WeakPolarHBondContact O-CB 3.35Å; F243-R246 PolarHBondContact O-N 3.09Å; R246-I248 VanDerWaalsContact C-N 3.31Å; R246-E252 WeakPolarHBondContact CA-OE2 3.43Å; R246-E252 WeakPolarHBondContact CD-OE1 3.36Å; R246-E252 WeakPolarHBondContact CD-OE2 3.31Å; R246-E252 IonicContact CZ-OE1 2.79Å; R246-E252 IonicContact NE-OE1 3.62Å; R246-E252 IonicContact NH1-OE1 2.68Å; R246-E252 PolarHBondContact NH1-OE1 3.4Å; R246-E252 IonicContact NH1-OE2 3.62Å
247G98.1Very high98.5Very high19 Ų1942 Ų4220%0.19623%0.225CC..THydrogen-bonded Turntrans83.42178.800000114.4G245 E252G245-G247 PolarHBondContact O-N 3.44Å; G247-E252 PolarHBondContact N-OE2 3.35Å
248I98.7Very high98.5Very high0 Ų043.7 Ų43.70%023%0.233CC..  trans-10096.4171-52.7174.1000107.9I27 T39 G245 R246 G250 V251 E252 L262 M266 I270I27-I248 HydrophobicContact CD1-CD1 4.18Å; I27-I248 HydrophobicContact CD1-CG1 4.12Å; I27-I248 HydrophobicContact CG1-CD1 4.41Å; T39-I248 HydrophobicContact CG2-CD1 4.36Å; G245-I248 VanDerWaalsContact O-CB 3.32Å; G245-I248 WeakPolarHBondContact O-CB 3.43Å; G245-I248 WeakPolarHBondContact O-CG1 3.23Å; G245-I248 PolarHBondContact O-N 3Å; R246-I248 VanDerWaalsContact C-N 3.31Å; I248-G250 PolarHBondContact O-N 3.42Å; I248-V251 HydrophobicContact CB-CB 3.96Å; I248-V251 HydrophobicContact CB-CG1 4.5Å; I248-V251 HydrophobicContact CG2-CB 3.53Å; I248-V251 HydrophobicContact CG2-CG1 4.24Å; I248-V251 HydrophobicContact CG2-CG2 3.58Å; I248-V251 PolarHBondContact O-N 3.36Å; I248-E252 PolarHBondContact O-N 2.83Å; I248-L262 HydrophobicContact CD1-CD1 4.35Å; I248-L262 HydrophobicContact CG2-CD1 3.97Å; I248-L262 HydrophobicContact CG2-CD2 4.41Å; I248-M266 HydrophobicContact CG2-CE 4.49Å; I248-I270 HydrophobicContact CB-CG2 4.34Å; I248-I270 HydrophobicContact CG1-CG2 4.17Å; I248-I270 HydrophobicContact CG2-CD1 4.03Å; I248-I270 HydrophobicContact CG2-CG1 4.04Å; I248-I270 HydrophobicContact CG2-CG2 4.03Å
249T97.9Very high98.4Very high90 Ų9045.1 Ų45.155%0.55225%0.247SC*.THydrogen-bonded Turntrans-51.8128.2-179.9-50.90000111.2V251 E273T249-V251 VanDerWaalsContact C-N 3.26Å; T249-V251 PolarHBondContact O-N 3.46Å; T249-E273 WeakPolarHBondContact CB-OE2 3.28Å; T249-E273 PolarHBondContact OG1-OE2 3.24Å
250G96.8Very high98.4Very high61 Ų6150 Ų5063%0.62927%0.268SS*.THydrogen-bonded Turntrans80.9-9.9-178.900000115.8I248I248-G250 PolarHBondContact O-N 3.42Å
251V98.6Very high98.3Very high2 Ų251.7 Ų51.71%0.01228%0.279CS..THydrogen-bonded Turntrans-110.6-28.9176.5176.60000112T39 I248 T249 D253 K254 W257 L262 M266T39-V251 HydrophobicContact CG2-CG1 3.53Å; I248-V251 HydrophobicContact CB-CB 3.96Å; I248-V251 HydrophobicContact CB-CG1 4.5Å; I248-V251 HydrophobicContact CG2-CB 3.53Å; I248-V251 HydrophobicContact CG2-CG1 4.24Å; I248-V251 HydrophobicContact CG2-CG2 3.58Å; I248-V251 PolarHBondContact O-N 3.36Å; T249-V251 VanDerWaalsContact C-N 3.26Å; T249-V251 PolarHBondContact O-N 3.46Å; V251-D253 PolarHBondContact O-N 3.43Å; V251-K254 VanDerWaalsContact O-CB 3.27Å; V251-K254 WeakPolarHBondContact O-CB 3.26Å; V251-K254 WeakPolarHBondContact O-CG 3.24Å; V251-K254 PolarHBondContact O-N 2.92Å; V251-K254 VanDerWaalsContact O-N 3.07Å; V251-W257 HydrophobicContact CG1-CB 3.91Å; V251-W257 HydrophobicContact CG1-CD2 3.79Å; V251-W257 HydrophobicContact CG1-CE3 4.27Å; V251-W257 HydrophobicContact CG1-CG 3.62Å; V251-W257 HydrophobicContact CG2-CD2 4.1Å; V251-W257 HydrophobicContact CG2-CE3 4.43Å; V251-W257 HydrophobicContact CG2-CH2 4.25Å; V251-W257 HydrophobicContact CG2-CZ2 3.89Å; V251-L262 HydrophobicContact CG2-CD2 4.45Å; V251-M266 HydrophobicContact CG2-CE 3.34Å
252E98.8Very high98.3Very high50 Ų5047.9 Ų47.923%0.23426%0.263CS..THydrogen-bonded Turntrans-53.6131.8178.2-174.5171.3147.800112.5F243 K244 R246 G247 I248 K254F243-E252 HydrophobicContact CB-CG 3.73Å; K244-E252 WeakPolarHBondContact O-CA 3.4Å; R246-E252 WeakPolarHBondContact CA-OE2 3.43Å; R246-E252 WeakPolarHBondContact CD-OE1 3.36Å; R246-E252 WeakPolarHBondContact CD-OE2 3.31Å; R246-E252 IonicContact CZ-OE1 2.79Å; R246-E252 IonicContact NE-OE1 3.62Å; R246-E252 IonicContact NH1-OE1 2.68Å; R246-E252 PolarHBondContact NH1-OE1 3.4Å; R246-E252 IonicContact NH1-OE2 3.62Å; G247-E252 PolarHBondContact N-OE2 3.35Å; I248-E252 PolarHBondContact O-N 2.83Å; E252-K254 PolarHBondContact O-N 3.19Å; E252-K254 VanDerWaalsContact O-N 3.17Å
253D98.6Very high98.2Very high53 Ų5351.2 Ų51.228%0.28328%0.284SS..THydrogen-bonded Turntrans60.117.5-178.2-162.129.3000114.8R186 F243 K244 V251R186-D253 IonicContact CZ-OD1 3.69Å; R186-D253 IonicContact NE-OD1 3.29Å; R186-D253 PolarHBondContact NE-OD1 3.12Å; R186-D253 IonicContact NE-OD2 3.96Å; R186-D253 PolarHBondContact NH2-O 2.82Å; R186-D253 IonicContact NH2-OD1 2.64Å; R186-D253 PolarHBondContact NH2-OD1 2.99Å; R186-D253 VanDerWaalsContact NH2-OD1 3.1Å; F243-D253 HydrophobicContact CD1-CB 3.94Å; K244-D253 PolarHBondContact O-N 3.46Å; V251-D253 PolarHBondContact O-N 3.43Å
254K98.6Very high98.2Very high117 Ų11755.5 Ų55.551%0.50930%0.303SS..  trans-97.8139.1178.1-55.6-52.4179.3-174.30112.4L187 V251 E252L187-K254 VanDerWaalsContact CD1-O 3.32Å; L187-K254 WeakPolarHBondContact CD1-O 3.12Å; V251-K254 VanDerWaalsContact O-CB 3.27Å; V251-K254 WeakPolarHBondContact O-CB 3.26Å; V251-K254 WeakPolarHBondContact O-CG 3.24Å; V251-K254 PolarHBondContact O-N 2.92Å; V251-K254 VanDerWaalsContact O-N 3.07Å; E252-K254 PolarHBondContact O-N 3.19Å; E252-K254 VanDerWaalsContact O-N 3.17Å
255E98.3Very high98.1Very high92 Ų9260.5 Ų60.543%0.4333%0.33SS..THydrogen-bonded Turntrans-65.7177.7165.9-69.6169.8-156.200111.2L187 W257L187-E255 HydrophobicContact CD2-CG 3.85Å; E255-W257 PolarHBondContact O-N 3.39Å; E255-W257 VanDerWaalsContact O-N 3.1Å
256S97.9Very high98.1Very high87 Ų8762.5 Ų62.561%0.60834%0.34SS*.THydrogen-bonded Turntrans63.611.2176.5-64.30000116.2K260S256-K260 WeakPolarHBondContact O-CD 3.38Å; S256-K260 WeakPolarHBondContact O-CE 3.41Å; S256-K260 PolarHBondContact O-NZ 2.95Å
257W98.4Very high98.1Very high70 Ų7058.5 Ų58.527%0.26533%0.326SS..  trans-118.76.1-179.3-74.3103.6000115.2T39 V251 E255 G259 K260 L262 M266T39-W257 HydrophobicContact CG2-CB 3.99Å; T39-W257 PolarHBondContact OG1-O 3.33Å; V251-W257 HydrophobicContact CG1-CB 3.91Å; V251-W257 HydrophobicContact CG1-CD2 3.79Å; V251-W257 HydrophobicContact CG1-CE3 4.27Å; V251-W257 HydrophobicContact CG1-CG 3.62Å; V251-W257 HydrophobicContact CG2-CD2 4.1Å; V251-W257 HydrophobicContact CG2-CE3 4.43Å; V251-W257 HydrophobicContact CG2-CH2 4.25Å; V251-W257 HydrophobicContact CG2-CZ2 3.89Å; E255-W257 PolarHBondContact O-N 3.39Å; E255-W257 VanDerWaalsContact O-N 3.1Å; W257-G259 PolarHBondContact O-N 3.06Å; W257-K260 HydrophobicContact CE3-CB 4.11Å; W257-L262 HydrophobicContact CE3-CD2 4.31Å; W257-L262 HydrophobicContact CH2-CD2 4.48Å; W257-L262 HydrophobicContact CZ3-CD2 3.83Å; W257-M266 HydrophobicContact CH2-CE 4.31Å; W257-M266 HydrophobicContact CH2-SD 4.02Å
258H98.2Very high98.1Very high35 Ų3563.6 Ų63.616%0.16234%0.344CS..THydrogen-bonded Turntrans-68.7132.7171.6-177.481.7000110.6H37 H77 Q189 K244 K260H37-H258 AromaticContact CD2-CE1 3.84Å; H37-H258 AromaticContact CD2-NE2 3.66Å; H77-H258 AromaticContact CD2-CE1 3.83Å; H77-H258 AromaticContact NE2-CE1 3.7Å; Q189-H258 VanDerWaalsContact CG-CD2 3.48Å; Q189-H258 WeakPolarHBondContact CG-CD2 3.35Å; Q189-H258 WeakPolarHBondContact O-CB 3.18Å; K244-H258 PolarHBondContact NZ-ND1 3.19Å; H258-K260 PolarHBondContact O-N 2.79Å
259G96.7Very high98.1Very high29 Ų2968.6 Ų68.630%0.29937%0.368SS..THydrogen-bonded Turntrans66.715.6177.200000115.2G36 H37 W257G36-G259 CarbonylContact O-C 3.52Å; G36-G259 VanDerWaalsContact O-CA 3.32Å; G36-G259 WeakPolarHBondContact O-CA 3.45Å; H37-G259 WeakPolarHBondContact CD2-CA 3.45Å; W257-G259 PolarHBondContact O-N 3.06Å
260K98.2Very high98.1Very high103 Ų10364.4 Ų64.445%0.44834%0.342SS..  trans-107.3117.3179.5-62.3-165.8-172.3168.20110.7G36 P38 S256 W257 H258G36-K260 PolarHBondContact O-N 3.17Å; P38-K260 WeakPolarHBondContact CD-O 3.48Å; P38-K260 WeakPolarHBondContact CG-O 3.35Å; S256-K260 WeakPolarHBondContact O-CD 3.38Å; S256-K260 WeakPolarHBondContact O-CE 3.41Å; S256-K260 PolarHBondContact O-NZ 2.95Å; W257-K260 HydrophobicContact CE3-CB 4.11Å; H258-K260 PolarHBondContact O-N 2.79Å
261P98.1Very high98.2Very high35 Ų3562.9 Ų62.923%0.22732%0.319CS..PPolyproline II helixtrans-67.5153.3170.332-36.6000110.1T30T30-P261 WeakPolarHBondContact O-CB 3.44Å
262L98.4Very high98.2Very high3 Ų369.7 Ų69.72%0.01635%0.351CS..PPolyproline II helixtrans-74.6136.1171.8-58.6-172.5000109.6I27 T31 I248 V251 W257 M266 A267 I270I27-L262 HydrophobicContact CD1-CD1 4.4Å; I27-L262 HydrophobicContact CG1-CD1 4.38Å; I27-L262 HydrophobicContact CG2-CD1 3.89Å; I27-L262 HydrophobicContact CG2-CG 4.44Å; T31-L262 WeakPolarHBondContact CG2-O 3.02Å; T31-L262 PolarHBondContact OG1-O 3.24Å; I248-L262 HydrophobicContact CD1-CD1 4.35Å; I248-L262 HydrophobicContact CG2-CD1 3.97Å; I248-L262 HydrophobicContact CG2-CD2 4.41Å; V251-L262 HydrophobicContact CG2-CD2 4.45Å; W257-L262 HydrophobicContact CE3-CD2 4.31Å; W257-L262 HydrophobicContact CH2-CD2 4.48Å; W257-L262 HydrophobicContact CZ3-CD2 3.83Å; L262-M266 HydrophobicContact CD2-CE 4.26Å; L262-M266 HydrophobicContact CD2-SD 4.01Å; L262-A267 HydrophobicContact CB-CB 4.07Å; L262-I270 HydrophobicContact CD1-CB 4.34Å; L262-I270 HydrophobicContact CD1-CG1 4.3Å; L262-I270 HydrophobicContact CD1-CG2 4.35Å
263P97.8Very high98.2Very high71 Ų7170 Ų7046%0.46135%0.352SS..PPolyproline II helixtrans-55.3149.7167.7-24.934.9000111.3N265 M266 A267P263-N265 WeakPolarHBondContact CB-OD1 3.13Å; P263-N265 PolarHBondContact O-N 3.04Å; P263-M266 HydrophobicContact CB-CB 4.49Å; P263-M266 WeakPolarHBondContact O-CB 3.45Å; P263-M266 PolarHBondContact O-N 3.4Å; P263-A267 WeakPolarHBondContact O-CB 3.21Å; P263-A267 PolarHBondContact O-N 3.31Å
264K97.6Very high98.1Very high150 Ų15067.5 Ų67.565%0.65234%0.339SS*.Hα-helixtrans-52.6-47.2-172.5-69.8-174.6177.7-176.30113.9T31 M266 A267 E268T31-K264 HydrophobicContact CG2-CG 3.94Å; K264-M266 VanDerWaalsContact C-N 3.35Å; K264-M266 PolarHBondContact O-N 3.42Å; K264-A267 WeakPolarHBondContact O-CB 3.4Å; K264-A267 PolarHBondContact O-N 2.98Å; K264-E268 WeakPolarHBondContact O-CG 3.18Å; K264-E268 PolarHBondContact O-N 2.76Å
265N97.4Very high98.1Very high116 Ų11667.5 Ų67.562%0.6234%0.337SS*.Hα-helixtrans-61.5-41.7178.363.4-46.1000112.5P263 Q269P263-N265 WeakPolarHBondContact CB-OD1 3.13Å; P263-N265 PolarHBondContact O-N 3.04Å; N265-Q269 PolarHBondContact O-N 3.21Å
266M98.1Very high98.1Very high41 Ų4167.8 Ų67.820%0.20235%0.348CS..Hα-helixtrans-69.1-40.9176.5-173.8178-173.700111.1I248 V251 W257 L262 P263 K264 Q269 I270I248-M266 HydrophobicContact CG2-CE 4.49Å; V251-M266 HydrophobicContact CG2-CE 3.34Å; W257-M266 HydrophobicContact CH2-CE 4.31Å; W257-M266 HydrophobicContact CH2-SD 4.02Å; L262-M266 HydrophobicContact CD2-CE 4.26Å; L262-M266 HydrophobicContact CD2-SD 4.01Å; P263-M266 HydrophobicContact CB-CB 4.49Å; P263-M266 WeakPolarHBondContact O-CB 3.45Å; P263-M266 PolarHBondContact O-N 3.4Å; K264-M266 VanDerWaalsContact C-N 3.35Å; K264-M266 PolarHBondContact O-N 3.42Å; M266-Q269 PolarHBondContact O-N 2.92Å; M266-I270 HydrophobicContact CG-CG1 4.23Å; M266-I270 WeakPolarHBondContact O-CB 3.34Å; M266-I270 VanDerWaalsContact O-CG1 3.22Å; M266-I270 WeakPolarHBondContact O-CG1 3.47Å; M266-I270 PolarHBondContact O-N 3.15Å
267A98.3Very high98.1Very high4 Ų468.5 Ų68.53%0.03334%0.342CS..Hα-helixtrans-60.3-47.2176.700000111.2I27 T31 L262 P263 K264 Q269 I270 I271I27-A267 HydrophobicContact CG2-CB 3.85Å; T31-A267 HydrophobicContact CG2-CB 3.97Å; L262-A267 HydrophobicContact CB-CB 4.07Å; P263-A267 WeakPolarHBondContact O-CB 3.21Å; P263-A267 PolarHBondContact O-N 3.31Å; K264-A267 WeakPolarHBondContact O-CB 3.4Å; K264-A267 PolarHBondContact O-N 2.98Å; A267-Q269 PolarHBondContact O-N 3.04Å; A267-I270 PolarHBondContact O-N 3.24Å; A267-I271 HydrophobicContact CB-CD1 4.39Å; A267-I271 VanDerWaalsContact O-CB 3.23Å; A267-I271 WeakPolarHBondContact O-CB 3.32Å; A267-I271 VanDerWaalsContact O-CD1 3.28Å; A267-I271 WeakPolarHBondContact O-CD1 3.47Å; A267-I271 WeakPolarHBondContact O-CG1 3.4Å; A267-I271 PolarHBondContact O-N 3.48Å
268E98.2Very high98.1Very high126 Ų12666.4 Ų66.459%0.58934%0.336SS*.Hα-helixtrans-57.7-47.8177.7-74.5166.8-16600112.1K264 Q272K264-E268 WeakPolarHBondContact O-CG 3.18Å; K264-E268 PolarHBondContact O-N 2.76Å; E268-Q272 WeakPolarHBondContact O-CG 3.28Å; E268-Q272 PolarHBondContact O-N 3.47Å; E268-Q272 VanDerWaalsContact O-N 3.1Å
269Q98.4Very high98.1Very high105 Ų10571.8 Ų71.849%0.49136%0.361SS..Hα-helixtrans-59.9-53.4176.6-176.6-163-25.500111.5N265 M266 A267 I271 Q272 E273N265-Q269 PolarHBondContact O-N 3.21Å; M266-Q269 PolarHBondContact O-N 2.92Å; A267-Q269 PolarHBondContact O-N 3.04Å; Q269-I271 VanDerWaalsContact C-N 3.32Å; Q269-I271 PolarHBondContact O-N 2.92Å; Q269-Q272 WeakPolarHBondContact O-CB 3.34Å; Q269-Q272 PolarHBondContact O-N 3.26Å; Q269-Q272 VanDerWaalsContact O-N 3.16Å; Q269-E273 PolarHBondContact NE2-OE1 3.43Å; Q269-E273 PolarHBondContact O-N 2.81Å
270I98.6Very high98.2Very high2 Ų272.8 Ų72.81%0.0136%0.364CS..Hα-helixtrans-64.1-38.5-177-66.8-64.2000111.2I27 I248 L262 M266 A267 Q272 E273 I274I27-I270 HydrophobicContact CD1-CG2 3.88Å; I248-I270 HydrophobicContact CB-CG2 4.34Å; I248-I270 HydrophobicContact CG1-CG2 4.17Å; I248-I270 HydrophobicContact CG2-CD1 4.03Å; I248-I270 HydrophobicContact CG2-CG1 4.04Å; I248-I270 HydrophobicContact CG2-CG2 4.03Å; L262-I270 HydrophobicContact CD1-CB 4.34Å; L262-I270 HydrophobicContact CD1-CG1 4.3Å; L262-I270 HydrophobicContact CD1-CG2 4.35Å; M266-I270 HydrophobicContact CG-CG1 4.23Å; M266-I270 WeakPolarHBondContact O-CB 3.34Å; M266-I270 VanDerWaalsContact O-CG1 3.22Å; M266-I270 WeakPolarHBondContact O-CG1 3.47Å; M266-I270 PolarHBondContact O-N 3.15Å; A267-I270 PolarHBondContact O-N 3.24Å; I270-Q272 VanDerWaalsContact C-N 3.32Å; I270-Q272 PolarHBondContact O-N 2.87Å; I270-E273 PolarHBondContact O-N 3.2Å; I270-I274 HydrophobicContact CG2-CD1 3.65Å; I270-I274 HydrophobicContact CG2-CG1 4.27Å; I270-I274 VanDerWaalsContact O-CG1 3.29Å; I270-I274 WeakPolarHBondContact O-CG1 3.43Å; I270-I274 PolarHBondContact O-N 3.24Å
271I98.7Very high98.1Very high29 Ų2975.5 Ų75.515%0.14938%0.376CS..Hα-helixtrans-62.1-41.9176.2-72.9162.5000110.5I24 I27 Q28 A267 Q269 I274 Y275I24-I271 HydrophobicContact CG1-CG2 4.27Å; I24-I271 HydrophobicContact CG2-CG1 4.3Å; I24-I271 HydrophobicContact CG2-CG2 3.84Å; I27-I271 HydrophobicContact CB-CG1 4.48Å; I27-I271 HydrophobicContact CG2-CD1 4.02Å; I27-I271 HydrophobicContact CG2-CG1 4.08Å; Q28-I271 HydrophobicContact CG-CD1 3.43Å; Q28-I271 VanDerWaalsContact CG-CD1 3.43Å; Q28-I271 HydrophobicContact CG-CG1 4.43Å; A267-I271 HydrophobicContact CB-CD1 4.39Å; A267-I271 VanDerWaalsContact O-CB 3.23Å; A267-I271 WeakPolarHBondContact O-CB 3.32Å; A267-I271 VanDerWaalsContact O-CD1 3.28Å; A267-I271 WeakPolarHBondContact O-CD1 3.47Å; A267-I271 WeakPolarHBondContact O-CG1 3.4Å; A267-I271 PolarHBondContact O-N 3.48Å; Q269-I271 VanDerWaalsContact C-N 3.32Å; Q269-I271 PolarHBondContact O-N 2.92Å; I271-I274 PolarHBondContact O-N 3.02Å; I271-Y275 WeakPolarHBondContact O-CB 3.47Å; I271-Y275 PolarHBondContact O-N 3.49Å
272Q98.5Very high98Very high145 Ų14582.2 Ų82.268%0.67840%0.401SS*.Hα-helixtrans-62.8-43.8175.4-73.7179.4-10.500111.9E268 Q269 I270 Y275 S276E268-Q272 WeakPolarHBondContact O-CG 3.28Å; E268-Q272 PolarHBondContact O-N 3.47Å; E268-Q272 VanDerWaalsContact O-N 3.1Å; Q269-Q272 WeakPolarHBondContact O-CB 3.34Å; Q269-Q272 PolarHBondContact O-N 3.26Å; Q269-Q272 VanDerWaalsContact O-N 3.16Å; I270-Q272 VanDerWaalsContact C-N 3.32Å; I270-Q272 PolarHBondContact O-N 2.87Å; Q272-Y275 PolarHBondContact O-N 3.08Å; Q272-S276 PolarHBondContact O-N 3.45Å
273E98.2Very high98Very high56 Ų5685.6 Ų85.626%0.26242%0.416SS..Hα-helixtrans-58.6-49.5176.2-71.4176.5-155.900111.5T249 Q269 I270 S276 Q277T249-E273 WeakPolarHBondContact CB-OE2 3.28Å; T249-E273 PolarHBondContact OG1-OE2 3.24Å; Q269-E273 PolarHBondContact NE2-OE1 3.43Å; Q269-E273 PolarHBondContact O-N 2.81Å; I270-E273 PolarHBondContact O-N 3.2Å; E273-S276 PolarHBondContact O-N 3.44Å; E273-S276 PolarHBondContact O-OG 2.89Å; E273-Q277 PolarHBondContact O-NE2 3.41Å
274I98.4Very high98Very high1 Ų183.1 Ų83.11%0.00540%0.398CS..Hα-helixtrans-65.7-42.1178.9-63.1167.9000110.8N20 R23 I24 I27 I270 I271 S276 Q277N20-I274 HydrophobicContact CB-CG2 3.67Å; R23-I274 HydrophobicContact CB-CD1 4.17Å; R23-I274 HydrophobicContact CB-CG2 4.44Å; I24-I274 HydrophobicContact CD1-CB 4.33Å; I24-I274 HydrophobicContact CD1-CG2 3.93Å; I24-I274 HydrophobicContact CG1-CB 4.06Å; I24-I274 HydrophobicContact CG1-CG2 3.74Å; I27-I274 HydrophobicContact CD1-CD1 3.76Å; I270-I274 HydrophobicContact CG2-CD1 3.65Å; I270-I274 HydrophobicContact CG2-CG1 4.27Å; I270-I274 VanDerWaalsContact O-CG1 3.29Å; I270-I274 WeakPolarHBondContact O-CG1 3.43Å; I270-I274 PolarHBondContact O-N 3.24Å; I271-I274 PolarHBondContact O-N 3.02Å; I274-S276 VanDerWaalsContact C-N 3.28Å; I274-S276 PolarHBondContact O-N 2.68Å; I274-Q277 WeakPolarHBondContact O-CB 3.29Å; I274-Q277 PolarHBondContact O-N 2.77Å; I274-Q277 VanDerWaalsContact O-N 3.12Å
275Y98.3Very high98Very high118 Ų11883.1 Ų83.146%0.46341%0.405SS..Hα-helixtrans-64.5-33.7-178.8-174.3-93.4000112.2I24 I271 Q272 Q277 I278 K281I24-Y275 HydrophobicContact CD1-CD2 4.1Å; I271-Y275 WeakPolarHBondContact O-CB 3.47Å; I271-Y275 PolarHBondContact O-N 3.49Å; Q272-Y275 PolarHBondContact O-N 3.08Å; Y275-Q277 PolarHBondContact O-N 2.8Å; Y275-Q277 VanDerWaalsContact O-N 3.14Å; Y275-I278 HydrophobicContact CD2-CD1 4.01Å; Y275-I278 WeakPolarHBondContact O-CB 3.28Å; Y275-I278 PolarHBondContact O-N 3.22Å; Y275-I278 VanDerWaalsContact O-N 3.07Å; Y275-K281 WeakPolarHBondContact OH-CE 3.23Å
276S98.3Very high98Very high97 Ų9778.7 Ų78.768%0.67838%0.384SS*.THydrogen-bonded Turntrans-61.5-19.3175.577.60000114Q272 E273 I274Q272-S276 PolarHBondContact O-N 3.45Å; E273-S276 PolarHBondContact O-N 3.44Å; E273-S276 PolarHBondContact O-OG 2.89Å; I274-S276 VanDerWaalsContact C-N 3.28Å; I274-S276 PolarHBondContact O-N 2.68Å
277Q98Very high98Very high102 Ų10279.5 Ų79.548%0.47739%0.392SS..THydrogen-bonded Turntrans-87.9-10.4178.8-58.317238.900112.9E273 I274 Y275E273-Q277 PolarHBondContact O-NE2 3.41Å; I274-Q277 WeakPolarHBondContact O-CB 3.29Å; I274-Q277 PolarHBondContact O-N 2.77Å; I274-Q277 VanDerWaalsContact O-N 3.12Å; Y275-Q277 PolarHBondContact O-N 2.8Å; Y275-Q277 VanDerWaalsContact O-N 3.14Å
278I98.4Very high98Very high26 Ų2683.3 Ų83.313%0.13342%0.416CS..  trans-80.3121.4-178.9-64.6173.8000109.2D17 N20 R21 I24 Y275 S280D17-I278 HydrophobicContact CB-CG2 4.08Å; N20-I278 HydrophobicContact CB-CD1 4.18Å; N20-I278 HydrophobicContact CB-CG1 3.84Å; R21-I278 HydrophobicContact CG-CD1 3.78Å; I24-I278 HydrophobicContact CD1-CD1 3.89Å; Y275-I278 HydrophobicContact CD2-CD1 4.01Å; Y275-I278 WeakPolarHBondContact O-CB 3.28Å; Y275-I278 PolarHBondContact O-N 3.22Å; Y275-I278 VanDerWaalsContact O-N 3.07Å; I278-S280 VanDerWaalsContact CG2-O 3.27Å; I278-S280 WeakPolarHBondContact CG2-O 3.09Å
279Q98.1Very high98Very high148 Ų14878 Ų7869%0.69239%0.393SS*.  trans-86.8-28.6-179.5-63.3-170.313.700113.1Q13 D17Q13-Q279 VanDerWaalsContact CD-NE2 3.31Å; Q13-Q279 HydrophobicContact CG-CB 4.18Å; Q13-Q279 HydrophobicContact CG-CG 4.12Å; D17-Q279 PolarHBondContact OD1-N 2.99Å; D17-Q279 PolarHBondContact OD2-N 3.28Å
280S97.1Very high98Very high50 Ų5079.2 Ų79.235%0.3540%0.398SS..  trans-142.4144.2179-162.80000113.6D17 R21 I278 K282D17-S280 PolarHBondContact OD2-N 3.3Å; R21-S280 PolarHBondContact NH1-O 2.64Å; I278-S280 VanDerWaalsContact CG2-O 3.27Å; I278-S280 WeakPolarHBondContact CG2-O 3.09Å; S280-K282 VanDerWaalsContact C-N 3.32Å; S280-K282 PolarHBondContact OG-N 3.05Å
281K96.4Very high98Very high161 Ų16185 Ų8570%0.743%0.425SS*.  trans-81-10.7170.2-62.9-176.9177.3-175.60113.2Y275 K283Y275-K281 WeakPolarHBondContact OH-CE 3.23Å; K281-K283 PolarHBondContact O-N 3Å
282K96.9Very high98Very high175 Ų17586 Ų8676%0.76143%0.431SS*.PPolyproline II helixtrans-65.8127.8-179-72.2-171.8177.6-177.60109.7S280S280-K282 VanDerWaalsContact C-N 3.32Å; S280-K282 PolarHBondContact OG-N 3.05Å
283K97.8Very high98Very high75 Ų7579.6 Ų79.633%0.32640%0.402SS..PPolyproline II helixtrans-87.4152.2177.2-57.5-171-179.8-142.10111E88 E94 K281E88-K283 WeakPolarHBondContact OE2-CD 3.4Å; E88-K283 VanDerWaalsContact OE2-CE 3.26Å; E88-K283 WeakPolarHBondContact OE2-CE 3.32Å; E88-K283 IonicContact OE2-NZ 2.72Å; E88-K283 PolarHBondContact OE2-NZ 3.24Å; E94-K283 VanDerWaalsContact OE1-CE 3.24Å; E94-K283 WeakPolarHBondContact OE1-CE 3.29Å; E94-K283 IonicContact OE1-NZ 2.74Å; E94-K283 PolarHBondContact OE1-NZ 2.78Å; K281-K283 PolarHBondContact O-N 3Å
284I98.1Very high98Very high19 Ų1979.6 Ų79.610%0.09741%0.407CS..PPolyproline II helixtrans-87.7136.7173.8-58.1170.8000108.2K11 A14 L15 F53K11-I284 HydrophobicContact CD-CD1 4.38Å; A14-I284 HydrophobicContact CB-CD1 3.79Å; A14-I284 HydrophobicContact CB-CG1 4.01Å; L15-I284 HydrophobicContact CD2-CD1 3.79Å; L15-I284 HydrophobicContact CG-CD1 3.98Å; F53-I284 HydrophobicContact CB-CB 3.93Å; F53-I284 HydrophobicContact CB-CD1 4.06Å; F53-I284 HydrophobicContact CB-CG2 3.83Å; F53-I284 HydrophobicContact CD1-CB 4.07Å; F53-I284 HydrophobicContact CD1-CG2 4.36Å; F53-I284 VanDerWaalsContact CD1-O 3.29Å; F53-I284 WeakPolarHBondContact CD1-O 3.33Å; F53-I284 HydrophobicContact CG-CB 4.28Å; F53-I284 WeakPolarHBondContact O-CG2 3.5Å
285L97.9Very high98Very high149 Ų14985.6 Ų85.678%0.7845%0.45SS*.PPolyproline II helixtrans-82.5143.6174.4-59.3178.4000111
286A98.1Very high97.9Very high23 Ų2381.9 Ų81.919%0.1944%0.439CS..PPolyproline II helixtrans-64.1151.8169.200000110.8Y58Y58-A286 HydrophobicContact CD2-CB 4.47Å; Y58-A286 HydrophobicContact CE1-CB 4Å; Y58-A286 HydrophobicContact CE2-CB 3.84Å
287T98.2Very high97.7Very high59 Ų5982.6 Ų82.636%0.36244%0.435SS..PPolyproline II helixtrans-104130.8175.6-54.30000109.1R57 Y58R57-T287 CarbonylContact C-O 3.38Å; R57-T287 VanDerWaalsContact CA-O 3.23Å; R57-T287 WeakPolarHBondContact CA-O 3.45Å; R57-T287 VanDerWaalsContact CD-CG2 3.47Å; Y58-T287 PolarHBondContact N-O 3.17Å
288P98.3Very high97.3Very high84 Ų8484.2 Ų84.255%0.54545%0.446SS..PPolyproline II helixtrans-70.6158.5-177.330-36000112.6R57R57-P288 WeakPolarHBondContact CD-O 3.37Å
289P98.3Very high97Very high15 Ų1585.3 Ų85.310%0.09746%0.459CS..PPolyproline II helixtrans-79.9164.4176.335.6-35.9000113.1R57 K59 H67R57-P289 HydrophobicContact CB-CB 4.09Å; K59-P289 HydrophobicContact CG-CG 4.35Å; H67-P289 HydrophobicContact CB-CB 4.16Å; H67-P289 HydrophobicContact CB-CG 3.78Å; H67-P289 WeakPolarHBondContact O-CB 3.34Å
290Q98.2Very high96.9Very high130 Ų13082.9 Ų82.961%0.60745%0.451SS*.PPolyproline II helixtrans-70.2131.1160.2177.7178.4-1200109D292Q290-D292 HydrophobicContact CG-CB 4.25Å; Q290-D292 PolarHBondContact NE2-OD2 3.05Å; Q290-D292 PolarHBondContact O-N 3.33Å
291E98.4Very high96.9Very high122 Ų12280.8 Ų80.857%0.5744%0.435SS*.  trans-91.770.9-175.1-60.2-170.8-169.700111.9K59 H67K59-E291 WeakPolarHBondContact CE-OE1 3.5Å; K59-E291 IonicContact NZ-OE1 3.44Å; K59-E291 PolarHBondContact NZ-OE1 2.81Å; K59-E291 IonicContact NZ-OE2 2.69Å; H67-E291 HydrophobicContact CB-CG 4.45Å
292D98.5Very high97Very high52 Ų5281.7 Ų81.728%0.27843%0.434SS..  trans-117.1-6.4-175.660.812.2000115.4A145 S146 Q290A145-D292 WeakPolarHBondContact CB-OD1 3.5Å; S146-D292 WeakPolarHBondContact CB-OD2 3.49Å; S146-D292 PolarHBondContact N-OD1 3.49Å; S146-D292 PolarHBondContact N-OD2 3.03Å; S146-D292 VanDerWaalsContact OG-CG 3.25Å; S146-D292 PolarHBondContact OG-OD1 2.71Å; S146-D292 PolarHBondContact OG-OD2 2.96Å; Q290-D292 HydrophobicContact CG-CB 4.25Å; Q290-D292 PolarHBondContact NE2-OD2 3.05Å; Q290-D292 PolarHBondContact O-N 3.33Å
293A98.4Very high97Very high9 Ų974.3 Ų74.37%0.07440%0.403CS..PPolyproline II helixtrans-62.6132.3171.600000111.9P66 H67 A145P66-A293 HydrophobicContact CB-CB 4.32Å; P66-A293 WeakPolarHBondContact O-CB 3.41Å; H67-A293 PolarHBondContact CE1-O 2.86Å; H67-A293 VanDerWaalsContact CE1-O 3.22Å; H67-A293 WeakPolarHBondContact ND1-CB 3.08Å; H67-A293 PolarHBondContact ND1-N 3.01Å; A145-A293 HydrophobicContact CB-CB 3.91Å
294P98.1Very high97Very high57 Ų5774.5 Ų74.537%0.3741%0.412SS..PPolyproline II helixtrans-71.2156.6-175.728.4-35000112D143 R381D143-P294 HydrophobicContact CB-CG 4.5Å; D143-P294 WeakPolarHBondContact O-CD 3.5Å; P294-R381 PolarHBondContact O-NH1 2.89Å; P294-R381 PolarHBondContact O-NH2 3.25Å
295S97.6Very high97.1Very high127 Ų12776.9 Ų76.989%0.88843%0.43SS*.PPolyproline II helixtrans-64.1144.2164.8-54.30000110.2
296V97.1Very high97.1Very high40 Ų4074.4 Ų74.424%0.24242%0.417CS..  trans-121.8128.2177177.70000108.1R334 R381V296-R334 HydrophobicContact CG1-CG 3.89Å; V296-R381 VanDerWaalsContact CG2-CZ 3.48Å
297D93.7Very high97.1Very high111 Ų11173.6 Ų73.659%0.59441%0.41SS*.  trans-71.5125.9178.3-178.39.3000111.1A299 R334D297-A299 VanDerWaalsContact OD1-CB 3.23Å; D297-A299 WeakPolarHBondContact OD1-CB 3.4Å; D297-A299 PolarHBondContact OD1-N 2.76Å; D297-R334 WeakPolarHBondContact O-CD 3.16Å; D297-R334 VanDerWaalsContact O-CZ 3.23Å; D297-R334 PolarHBondContact O-NE 2.78Å; D297-R334 PolarHBondContact O-NH1 3.42Å
298I89.8Confident97Very high136 Ų13675.6 Ų75.670%0.69743%0.426SS*.  trans-97.47.5179.660.5169.4000113.4
299A93Very high97Very high50 Ų5073 Ų7341%0.41341%0.406SS..SBendtrans-59.5161175.800000112.6D297 R334D297-A299 VanDerWaalsContact OD1-CB 3.23Å; D297-A299 WeakPolarHBondContact OD1-CB 3.4Å; D297-A299 PolarHBondContact OD1-N 2.76Å; A299-R334 PolarHBondContact O-NH1 3.28Å
300N94.9Very high97Very high97 Ų9779.3 Ų79.352%0.51943%0.432SS..PPolyproline II helixtrans-66.2133.1175.8-165.694.5000110.3N463N300-N463 WeakPolarHBondContact CA-OD1 3.45Å; N300-N463 VanDerWaalsContact CG-CG 3.44Å; N300-N463 PolarHBondContact ND2-ND2 3.3Å; N300-N463 PolarHBondContact ND2-OD1 3.5Å; N300-N463 WeakPolarHBondContact OD1-CB 3.44Å; N300-N463 PolarHBondContact OD1-OD1 2.67Å; N300-N463 VanDerWaalsContact OD1-OD1 3.04Å
301I97.9Very high97Very high6 Ų677.2 Ų77.23%0.03143%0.428CS..PPolyproline II helixtrans-86.3126.6178.1-54.2176.6000108L328 R334 I335 V383 N463I301-L328 HydrophobicContact CG2-CD1 3.65Å; I301-L328 HydrophobicContact CG2-CD2 4.4Å; I301-L328 HydrophobicContact CG2-CG 3.94Å; I301-R334 HydrophobicContact CD1-CB 4.47Å; I301-I335 HydrophobicContact CD1-CD1 3.65Å; I301-I335 HydrophobicContact CD1-CG1 4.31Å; I301-I335 HydrophobicContact CG2-CD1 4.46Å; I301-V383 HydrophobicContact CD1-CB 4.39Å; I301-V383 HydrophobicContact CD1-CG2 4Å; I301-N463 PolarHBondContact N-OD1 3.23Å; I301-N463 PolarHBondContact O-ND2 3.25Å; I301-N463 PolarHBondContact O-OD1 2.99Å
302R97.8Very high97Very high180 Ų18073.8 Ų73.868%0.67943%0.425SS*.  trans-121.3146.2179.9-65.7-175.4178.5-176.7-0.1110.1A331 E459R302-A331 WeakPolarHBondContact O-CB 3.48Å; R302-E459 WeakPolarHBondContact CA-OE1 3.11Å
303M97.9Very high97Very high19 Ų1975.5 Ų75.59%0.09443%0.434CS..  trans-58.9141.2170.3-72.8-71.4-177.600109.8S305 A324 K327 L328 E455 V458 E459M303-S305 WeakPolarHBondContact CB-O 3.36Å; M303-S305 PolarHBondContact O-N 3.29Å; M303-A324 HydrophobicContact CE-CB 4.11Å; M303-A324 WeakPolarHBondContact CE-O 3.38Å; M303-K327 HydrophobicContact SD-CB 4.32Å; M303-K327 HydrophobicContact SD-CD 4.1Å; M303-K327 HydrophobicContact SD-CG 4.05Å; M303-L328 HydrophobicContact CE-CB 3.9Å; M303-L328 HydrophobicContact CE-CD1 3.98Å; M303-L328 HydrophobicContact CE-CG 4.37Å; M303-L328 HydrophobicContact CG-CD1 4.15Å; M303-L328 HydrophobicContact SD-CB 3.95Å; M303-L328 HydrophobicContact SD-CD1 3.76Å; M303-L328 HydrophobicContact SD-CG 4.47Å; M303-E455 HydrophobicContact CE-CG 3.78Å; M303-E455 WeakPolarHBondContact CE-O 3.32Å; M303-E455 HydrophobicContact SD-CG 4.31Å; M303-V458 HydrophobicContact CE-CB 4.26Å; M303-V458 HydrophobicContact CE-CG1 4.02Å; M303-E459 HydrophobicContact CE-CB 4.09Å; M303-E459 HydrophobicContact CG-CB 3.91Å; M303-E459 HydrophobicContact CG-CG 4.05Å; M303-E459 PolarHBondContact N-OE1 2.72Å
304P97.6Very high97Very high79 Ų7982 Ų8251%0.51346%0.461SS..SBendtrans-68.1-16.6-178.928.4-34.4000112.8K327P304-K327 HydrophobicContact CG-CG 3.78Å
305S98.4Very high97Very high70 Ų7080.1 Ų80.149%0.4945%0.447SS..SBendtrans-158.6164.1175.554.40000109.9M303 K327M303-S305 WeakPolarHBondContact CB-O 3.36Å; M303-S305 PolarHBondContact O-N 3.29Å; S305-K327 WeakPolarHBondContact O-CE 3.44Å; S305-K327 PolarHBondContact O-NZ 3.19Å; S305-K327 WeakPolarHBondContact OG-CE 3.46Å; S305-K327 PolarHBondContact OG-NZ 3.19Å; S305-K327 VanDerWaalsContact OG-NZ 3.13Å
306L98.1Very high97Very high96 Ų9674.2 Ų74.250%0.50341%0.407SS..  trans-58161.1168.4-69.7177.6000111.6K327 N484L306-K327 PolarHBondContact O-NZ 2.94Å; L306-N484 HydrophobicContact CD1-CB 4.16Å
307P98Very high97.1Very high6 Ų672.5 Ų72.54%0.03940%0.396CS..  trans-50.8153.1166.8-24.932.1000112.1Y309 V452 E455 N483P307-Y309 HydrophobicContact CB-CD2 3.72Å; P307-Y309 HydrophobicContact CB-CE2 3.95Å; P307-V452 HydrophobicContact CB-CG2 4.4Å; P307-V452 HydrophobicContact CG-CG1 4.34Å; P307-E455 VanDerWaalsContact CA-OE1 3.31Å; P307-E455 WeakPolarHBondContact CA-OE1 3.46Å; P307-E455 HydrophobicContact CG-CB 4.18Å; P307-E455 HydrophobicContact CG-CG 4.15Å; P307-N483 HydrophobicContact CB-CB 4.3Å; P307-N483 WeakPolarHBondContact CD-O 3.25Å; P307-N483 WeakPolarHBondContact O-CB 3.45Å; P307-N483 PolarHBondContact O-ND2 3.5Å; P307-N483 PolarHBondContact O-OD1 2.95Å
308S97.9Very high97.4Very high101 Ų10169.1 Ų69.171%0.70638%0.375SS*.  trans-126.633.1-177.966.50000112.5
309Y98.3Very high97.8Very high30 Ų3066.4 Ų66.412%0.11836%0.358CS..  trans-79.5162.2176.8-59.2-77.8000110.9P307 I315 G451 V452 E455 I479 N483P307-Y309 HydrophobicContact CB-CD2 3.72Å; P307-Y309 HydrophobicContact CB-CE2 3.95Å; Y309-I315 HydrophobicContact CD1-CG2 4.48Å; Y309-I315 HydrophobicContact CE1-CD1 3.93Å; Y309-I315 HydrophobicContact CE1-CG2 4.33Å; Y309-G451 VanDerWaalsContact CE2-C 3.42Å; Y309-G451 VanDerWaalsContact CE2-O 3.29Å; Y309-G451 WeakPolarHBondContact CE2-O 3.41Å; Y309-V452 HydrophobicContact CD2-CB 4.45Å; Y309-V452 HydrophobicContact CD2-CG2 3.68Å; Y309-V452 HydrophobicContact CG-CG2 4.2Å; Y309-E455 HydrophobicContact CE2-CB 4.36Å; Y309-E455 WeakPolarHBondContact CE2-OE2 3.43Å; Y309-I479 HydrophobicContact CD1-CD1 3.88Å; Y309-I479 HydrophobicContact CD1-CG1 4.44Å; Y309-I479 HydrophobicContact CG-CD1 3.88Å; Y309-I479 HydrophobicContact CG-CG1 4.42Å; Y309-N483 PolarHBondContact N-ND2 3.34Å; Y309-N483 PolarHBondContact N-OD1 3.49Å; Y309-N483 PolarHBondContact O-ND2 3.21Å; Y309-N483 PolarHBondContact O-OD1 3.15Å
310K98.3Very high98.1Very high148 Ų14864 Ų6464%0.64334%0.339SS*.  trans-115.7130.5172.2-57.3174.1-176172.40108.7G312 D313 I479K310-G312 PolarHBondContact O-N 2.84Å; K310-D313 HydrophobicContact CB-CB 4.49Å; K310-D313 WeakPolarHBondContact CB-OD2 3.35Å; K310-D313 WeakPolarHBondContact O-CB 3.35Å; K310-D313 PolarHBondContact O-N 3.08Å; K310-I479 WeakPolarHBondContact O-CB 3.48Å
311V98.1Very high98.3Very high86 Ų8659.4 Ų59.452%0.52131%0.314SS..THydrogen-bonded Turntrans-55130.6175.9176.70000109.3I479 Y481V311-I479 HydrophobicContact CG2-CG2 4.47Å; V311-Y481 WeakPolarHBondContact CG2-O 3.46Å
312G96.9Very high98.3Very high50 Ų5059.1 Ų59.152%0.51531%0.312SS..THydrogen-bonded Turntrans92-21.3-175.600000115.5K310 I479K310-G312 PolarHBondContact O-N 2.84Å; G312-I479 PolarHBondContact N-O 3.11Å
313D98.2Very high98.4Very high88 Ų8854.1 Ų54.147%0.47130%0.297SS..  trans-62.8155.2169.9-77.3-5.1000109.8K310 A478 I479K310-D313 HydrophobicContact CB-CB 4.49Å; K310-D313 WeakPolarHBondContact CB-OD2 3.35Å; K310-D313 WeakPolarHBondContact O-CB 3.35Å; K310-D313 PolarHBondContact O-N 3.08Å; D313-A478 CarbonylContact O-C 3.48Å; D313-A478 WeakPolarHBondContact O-CA 3.33Å; D313-I479 WeakPolarHBondContact O-CG1 3.37Å; D313-I479 PolarHBondContact O-N 3.24Å
314K98.6Very high98.4Very high146 Ų14653.2 Ų53.264%0.63529%0.292SS*.EExtended strand (participates in β ladder)trans-109.2134.5180-65.8-169.7178.1-172.20111.8E476 N477K314-E476 HydrophobicContact CB-CB 4.13Å; K314-N477 VanDerWaalsContact CA-O 3.29Å; K314-N477 WeakPolarHBondContact CA-O 3.45Å
315I98.7Very high98.5Very high16 Ų1649.4 Ų49.48%0.08227%0.268CS..EExtended strand (participates in β ladder)trans-151.8146.6171.3-165.8172.4000109.9Y309 K319 A320 Q323 N477 I479Y309-I315 HydrophobicContact CD1-CG2 4.48Å; Y309-I315 HydrophobicContact CE1-CD1 3.93Å; Y309-I315 HydrophobicContact CE1-CG2 4.33Å; I315-K319 HydrophobicContact CD1-CB 4.36Å; I315-K319 HydrophobicContact CD1-CD 4.39Å; I315-K319 HydrophobicContact CD1-CG 4.24Å; I315-K319 HydrophobicContact CG1-CB 4.15Å; I315-K319 HydrophobicContact CG1-CD 4.25Å; I315-K319 HydrophobicContact CG1-CG 4.37Å; I315-A320 HydrophobicContact CD1-CB 4.2Å; I315-Q323 VanDerWaalsContact CD1-OE1 3.22Å; I315-N477 PolarHBondContact N-O 2.87Å; I315-N477 PolarHBondContact O-N 2.88Å; I315-I479 HydrophobicContact CG2-CD1 3.66Å; I315-I479 HydrophobicContact CG2-CG1 4.44Å
316A98.8Very high98.5Very high4 Ų446.1 Ų46.13%0.03325%0.245CC..EExtended strand (participates in β ladder)trans-78.9137.6169.500000110.3R318 K319 A320 R474 P475 E476A316-R318 HydrophobicContact CB-CG 3.95Å; A316-R318 PolarHBondContact O-N 3.21Å; A316-K319 WeakPolarHBondContact O-CB 3.32Å; A316-K319 PolarHBondContact O-N 3.27Å; A316-A320 PolarHBondContact O-N 3.46Å; A316-A320 VanDerWaalsContact O-N 3.08Å; A316-R474 VanDerWaalsContact CB-O 3.3Å; A316-R474 WeakPolarHBondContact CB-O 3.23Å; A316-P475 VanDerWaalsContact CA-O 3.29Å; A316-P475 WeakPolarHBondContact CA-O 3.27Å; A316-P475 VanDerWaalsContact CB-O 3.29Å; A316-P475 WeakPolarHBondContact CB-O 3.45Å; A316-E476 HydrophobicContact CB-CG 4.25Å
317T98.9Very high98.6Very high4 Ų443.1 Ų43.13%0.02523%0.228CC..Hα-helixtrans-63-28.3-178.854.90000112.4K319 A320 Y321 T454 S473T317-K319 VanDerWaalsContact C-N 3.29Å; T317-K319 PolarHBondContact O-N 3.44Å; T317-A320 PolarHBondContact O-N 3.29Å; T317-Y321 PolarHBondContact O-N 3.49Å; T317-T454 VanDerWaalsContact CB-OG1 3.32Å; T317-T454 WeakPolarHBondContact CB-OG1 3.37Å; T317-T454 WeakPolarHBondContact CG2-OG1 3.12Å; T317-S473 PolarHBondContact OG1-N 2.91Å
318R98.8Very high98.6Very high40 Ų4042.9 Ų42.915%0.15123%0.226CC..Hα-helixtrans-60.6-36.2170.763.7-179.6177.8155.38.2113.1A316 Y321 G322 S345 T346 F347 H416 S473 R474A316-R318 HydrophobicContact CB-CG 3.95Å; A316-R318 PolarHBondContact O-N 3.21Å; R318-Y321 WeakPolarHBondContact O-CB 3.27Å; R318-G322 PolarHBondContact O-N 2.95Å; R318-S345 WeakPolarHBondContact CD-O 3.28Å; R318-T346 VanDerWaalsContact O-O 3.08Å; R318-F347 HydrophobicContact CB-CD2 4.28Å; R318-F347 HydrophobicContact CG-CD2 3.87Å; R318-F347 HydrophobicContact CG-CE2 3.75Å; R318-H416 PolarHBondContact NH1-CE1 3.34Å; R318-H416 PolarHBondContact NH1-NE2 2.83Å; R318-S473 WeakPolarHBondContact CG-O 3.45Å; R318-S473 PolarHBondContact N-O 3.13Å; R318-R474 PolarHBondContact NE-O 3.29Å; R318-R474 PolarHBondContact NH2-O 2.92Å
319K98.9Very high98.6Very high79 Ų7938 Ų3834%0.34319%0.192SC..Hα-helixtrans-75.9-40.6177.6-174.4175.9178.1-178.80111.2I315 A316 T317 Y321 G322 Q323 F347I315-K319 HydrophobicContact CD1-CB 4.36Å; I315-K319 HydrophobicContact CD1-CD 4.39Å; I315-K319 HydrophobicContact CD1-CG 4.24Å; I315-K319 HydrophobicContact CG1-CB 4.15Å; I315-K319 HydrophobicContact CG1-CD 4.25Å; I315-K319 HydrophobicContact CG1-CG 4.37Å; A316-K319 WeakPolarHBondContact O-CB 3.32Å; A316-K319 PolarHBondContact O-N 3.27Å; T317-K319 VanDerWaalsContact C-N 3.29Å; T317-K319 PolarHBondContact O-N 3.44Å; K319-Y321 PolarHBondContact O-N 2.74Å; K319-G322 PolarHBondContact O-N 3.32Å; K319-Q323 WeakPolarHBondContact O-CG 3.11Å; K319-Q323 PolarHBondContact O-N 3.21Å; K319-Q323 VanDerWaalsContact O-N 3.12Å; K319-F347 HydrophobicContact CB-CD1 4.28Å; K319-F347 HydrophobicContact CB-CD2 3.89Å; K319-F347 HydrophobicContact CB-CE1 4.28Å; K319-F347 HydrophobicContact CB-CE2 3.9Å; K319-F347 HydrophobicContact CB-CG 4.08Å; K319-F347 HydrophobicContact CB-CZ 4.09Å; K319-F347 HydrophobicContact CD-CE1 4.17Å; K319-F347 HydrophobicContact CD-CZ 4.35Å; K319-F347 HydrophobicContact CG-CD1 3.97Å; K319-F347 HydrophobicContact CG-CD2 4.47Å; K319-F347 HydrophobicContact CG-CE1 3.99Å; K319-F347 HydrophobicContact CG-CE2 4.49Å; K319-F347 HydrophobicContact CG-CG 4.21Å; K319-F347 HydrophobicContact CG-CZ 4.25Å
320A98.9Very high98.7Very high0 Ų042.1 Ų42.10%021%0.212CC..Hα-helixtrans-59.8-3617300000111.9I315 A316 T317 Q323 A324 T454I315-A320 HydrophobicContact CD1-CB 4.2Å; A316-A320 PolarHBondContact O-N 3.46Å; A316-A320 VanDerWaalsContact O-N 3.08Å; T317-A320 PolarHBondContact O-N 3.29Å; A320-Q323 PolarHBondContact O-N 2.74Å; A320-A324 WeakPolarHBondContact O-CB 3.4Å; A320-A324 PolarHBondContact O-N 2.9Å; A320-T454 HydrophobicContact CB-CG2 4.01Å
321Y98.9Very high98.6Very high0 Ų037.3 Ų37.30%020%0.2CC..Hα-helixtrans-60-51.3173.5161.2-104.2000112.1T317 R318 K319 Q323 A324 L325 T346 F385 C413 V458T317-Y321 PolarHBondContact O-N 3.49Å; R318-Y321 WeakPolarHBondContact O-CB 3.27Å; K319-Y321 PolarHBondContact O-N 2.74Å; Y321-Q323 VanDerWaalsContact C-N 3.3Å; Y321-Q323 PolarHBondContact O-N 3.3Å; Y321-A324 PolarHBondContact O-N 2.9Å; Y321-L325 HydrophobicContact CE1-CD2 4.44Å; Y321-L325 HydrophobicContact CE2-CB 4.37Å; Y321-L325 HydrophobicContact CE2-CD2 4.22Å; Y321-L325 WeakPolarHBondContact O-CB 3.28Å; Y321-L325 PolarHBondContact O-N 3.38Å; Y321-L325 WeakPolarHBondContact OH-CD2 3.42Å; Y321-T346 WeakPolarHBondContact CD1-O 3.04Å; Y321-F385 HydrophobicContact CE2-CD1 4.25Å; Y321-C413 HydrophobicContact CD1-CB 4.21Å; Y321-C413 WeakPolarHBondContact CD1-SG 3.48Å; Y321-C413 HydrophobicContact CD2-CB 3.87Å; Y321-C413 VanDerWaalsContact CD2-SG 3.5Å; Y321-C413 HydrophobicContact CE1-CB 3.74Å; Y321-C413 HydrophobicContact CE2-CB 3.37Å; Y321-C413 HydrophobicContact CG-CB 4.26Å; Y321-V458 HydrophobicContact CD2-CG2 3.73Å; Y321-V458 HydrophobicContact CE2-CG2 4.31Å
322G98.9Very high98.7Very high0 Ų034.3 Ų34.30%018%0.183CC..Hα-helixtrans-58.3-41.8178.100000112.9R318 K319 A326 F347R318-G322 PolarHBondContact O-N 2.95Å; K319-G322 PolarHBondContact O-N 3.32Å; G322-A326 WeakPolarHBondContact O-CB 3.4Å; G322-A326 PolarHBondContact O-N 3.4Å; G322-A326 VanDerWaalsContact O-N 3.11Å; G322-F347 VanDerWaalsContact CA-O 3.25Å; G322-F347 WeakPolarHBondContact CA-O 3.36Å
323Q98.9Very high98.7Very high74 Ų7438.4 Ų38.435%0.34619%0.193SC..Hα-helixtrans-64.6-46.7175.6-69.1175.6-29.900112.1I315 K319 A320 Y321 K327 I350I315-Q323 VanDerWaalsContact CD1-OE1 3.22Å; K319-Q323 WeakPolarHBondContact O-CG 3.11Å; K319-Q323 PolarHBondContact O-N 3.21Å; K319-Q323 VanDerWaalsContact O-N 3.12Å; A320-Q323 PolarHBondContact O-N 2.74Å; Y321-Q323 VanDerWaalsContact C-N 3.3Å; Y321-Q323 PolarHBondContact O-N 3.3Å; Q323-K327 VanDerWaalsContact O-CB 3.26Å; Q323-K327 WeakPolarHBondContact O-CB 3.45Å; Q323-K327 PolarHBondContact O-N 2.86Å; Q323-I350 HydrophobicContact CG-CD1 3.95Å
324A98.9Very high98.7Very high0 Ų036.1 Ų36.10%018%0.178CC..Hα-helixtrans-64.9-41.8179.300000112.1M303 A320 Y321 K327 L328 E455 V458M303-A324 HydrophobicContact CE-CB 4.11Å; M303-A324 WeakPolarHBondContact CE-O 3.38Å; A320-A324 WeakPolarHBondContact O-CB 3.4Å; A320-A324 PolarHBondContact O-N 2.9Å; Y321-A324 PolarHBondContact O-N 2.9Å; A324-K327 WeakPolarHBondContact O-CB 3.46Å; A324-K327 PolarHBondContact O-N 3.48Å; A324-L328 WeakPolarHBondContact O-CB 3.4Å; A324-L328 PolarHBondContact O-N 2.99Å; A324-E455 HydrophobicContact CB-CB 3.96Å; A324-E455 HydrophobicContact CB-CG 3.83Å; A324-V458 HydrophobicContact CB-CB 4.1Å; A324-V458 HydrophobicContact CB-CG1 4.3Å; A324-V458 HydrophobicContact CB-CG2 4.03Å
325L98.9Very high98.8Very high0 Ų029.2 Ų29.20%015%0.147CC..Hα-helixtrans-65.2-45.4179-176.362.8000111.2Y321 K327 L328 G329 I335 A337 F351 F385Y321-L325 HydrophobicContact CE1-CD2 4.44Å; Y321-L325 HydrophobicContact CE2-CB 4.37Å; Y321-L325 HydrophobicContact CE2-CD2 4.22Å; Y321-L325 WeakPolarHBondContact O-CB 3.28Å; Y321-L325 PolarHBondContact O-N 3.38Å; Y321-L325 WeakPolarHBondContact OH-CD2 3.42Å; L325-K327 VanDerWaalsContact C-N 3.33Å; L325-K327 PolarHBondContact O-N 2.9Å; L325-L328 PolarHBondContact O-N 2.8Å; L325-G329 PolarHBondContact O-N 2.91Å; L325-I335 HydrophobicContact CD1-CG2 3.76Å; L325-A337 HydrophobicContact CD2-CB 3.93Å; L325-F351 HydrophobicContact CD2-CB 4.21Å; L325-F351 HydrophobicContact CD2-CD2 4.32Å; L325-F351 HydrophobicContact CD2-CG 4.35Å; L325-F351 HydrophobicContact CG-CB 4.31Å; L325-F351 HydrophobicContact CG-CD2 3.75Å; L325-F351 HydrophobicContact CG-CE2 4.43Å; L325-F351 HydrophobicContact CG-CG 4.25Å; L325-F351 WeakPolarHBondContact O-CD2 3.48Å; L325-F385 HydrophobicContact CD1-CB 3.89Å; L325-F385 HydrophobicContact CD1-CD1 4.02Å; L325-F385 HydrophobicContact CD1-CD2 3.76Å; L325-F385 HydrophobicContact CD1-CE2 4.29Å; L325-F385 HydrophobicContact CD1-CG 3.61Å; L325-F385 HydrophobicContact CD2-CB 4.12Å
326A98.9Very high98.8Very high1 Ų128.5 Ų28.51%0.00814%0.144CC..Hα-helixtrans-60.8-43.6175.200000111.7G322 L328 G329 H330 I350 F351 H355G322-A326 WeakPolarHBondContact O-CB 3.4Å; G322-A326 PolarHBondContact O-N 3.4Å; G322-A326 VanDerWaalsContact O-N 3.11Å; A326-L328 PolarHBondContact O-N 2.99Å; A326-G329 WeakPolarHBondContact O-CA 3.32Å; A326-G329 PolarHBondContact O-N 2.91Å; A326-G329 VanDerWaalsContact O-N 3.16Å; A326-H330 PolarHBondContact O-CD2 3.36Å; A326-H330 PolarHBondContact O-N 3.32Å; A326-I350 HydrophobicContact CB-CB 4.48Å; A326-I350 HydrophobicContact CB-CG2 3.73Å; A326-F351 HydrophobicContact CB-CB 4.43Å; A326-H355 PolarHBondContact O-NE2 3.03Å; A326-H355 VanDerWaalsContact O-NE2 3.08Å
327K98.9Very high98.8Very high33 Ų3328.3 Ų28.314%0.14314%0.142CC..Hα-helixtrans-58-46.1173.6-173.5179.4178.1-178.70112.4M303 P304 S305 L306 Q323 A324 L325 G329 H330 E455M303-K327 HydrophobicContact SD-CB 4.32Å; M303-K327 HydrophobicContact SD-CD 4.1Å; M303-K327 HydrophobicContact SD-CG 4.05Å; P304-K327 HydrophobicContact CG-CG 3.78Å; S305-K327 WeakPolarHBondContact O-CE 3.44Å; S305-K327 PolarHBondContact O-NZ 3.19Å; S305-K327 WeakPolarHBondContact OG-CE 3.46Å; S305-K327 PolarHBondContact OG-NZ 3.19Å; S305-K327 VanDerWaalsContact OG-NZ 3.13Å; L306-K327 PolarHBondContact O-NZ 2.94Å; Q323-K327 VanDerWaalsContact O-CB 3.26Å; Q323-K327 WeakPolarHBondContact O-CB 3.45Å; Q323-K327 PolarHBondContact O-N 2.86Å; A324-K327 WeakPolarHBondContact O-CB 3.46Å; A324-K327 PolarHBondContact O-N 3.48Å; L325-K327 VanDerWaalsContact C-N 3.33Å; L325-K327 PolarHBondContact O-N 2.9Å; K327-G329 VanDerWaalsContact C-N 3.29Å; K327-G329 PolarHBondContact O-N 3.14Å; K327-H330 WeakPolarHBondContact O-CB 3.46Å; K327-H330 PolarHBondContact O-N 3.47Å; K327-E455 IonicContact NZ-OE1 3.79Å; K327-E455 PolarHBondContact NZ-OE1 3.4Å
328L98.8Very high98.8Very high0 Ų028.1 Ų28.10%014%0.141CC..Hα-helixtrans-66.8-32.8177.1-164.568.4000111.8I301 M303 A324 L325 A326 H330 A331 S332 I335 V458 A462I301-L328 HydrophobicContact CG2-CD1 3.65Å; I301-L328 HydrophobicContact CG2-CD2 4.4Å; I301-L328 HydrophobicContact CG2-CG 3.94Å; M303-L328 HydrophobicContact CE-CB 3.9Å; M303-L328 HydrophobicContact CE-CD1 3.98Å; M303-L328 HydrophobicContact CE-CG 4.37Å; M303-L328 HydrophobicContact CG-CD1 4.15Å; M303-L328 HydrophobicContact SD-CB 3.95Å; M303-L328 HydrophobicContact SD-CD1 3.76Å; M303-L328 HydrophobicContact SD-CG 4.47Å; A324-L328 WeakPolarHBondContact O-CB 3.4Å; A324-L328 PolarHBondContact O-N 2.99Å; L325-L328 PolarHBondContact O-N 2.8Å; A326-L328 PolarHBondContact O-N 2.99Å; L328-H330 PolarHBondContact O-N 2.86Å; L328-A331 WeakPolarHBondContact O-CB 3.39Å; L328-A331 PolarHBondContact O-N 3.2Å; L328-S332 PolarHBondContact O-N 2.8Å; L328-I335 HydrophobicContact CD2-CD1 3.78Å; L328-I335 HydrophobicContact CD2-CG1 4.24Å; L328-I335 HydrophobicContact CG-CD1 4.23Å; L328-I335 HydrophobicContact CG-CG1 4.17Å; L328-V458 HydrophobicContact CD2-CG1 3.96Å; L328-A462 HydrophobicContact CD2-CB 3.59Å
329G98.8Very high98.8Very high0 Ų026.2 Ų26.20%013%0.134CC..Hα-helixtrans-57.6-31.6172.800000113.6L325 A326 K327 A331 R358L325-G329 PolarHBondContact O-N 2.91Å; A326-G329 WeakPolarHBondContact O-CA 3.32Å; A326-G329 PolarHBondContact O-N 2.91Å; A326-G329 VanDerWaalsContact O-N 3.16Å; K327-G329 VanDerWaalsContact C-N 3.29Å; K327-G329 PolarHBondContact O-N 3.14Å; G329-A331 VanDerWaalsContact C-N 3.29Å; G329-A331 PolarHBondContact O-N 2.58Å; G329-R358 PolarHBondContact O-NH1 3.19Å; G329-R358 PolarHBondContact O-NH2 3.12Å
330H98.7Very high98.8Very high115 Ų11522.5 Ų22.553%0.53212%0.118SC..THydrogen-bonded Turntrans-71.2-21.7173.7-67.2-68.3000113.7A326 K327 L328 E354 H355A326-H330 PolarHBondContact O-CD2 3.36Å; A326-H330 PolarHBondContact O-N 3.32Å; K327-H330 WeakPolarHBondContact O-CB 3.46Å; K327-H330 PolarHBondContact O-N 3.47Å; L328-H330 PolarHBondContact O-N 2.86Å; H330-E354 IonicContact CD2-OE2 2.85Å; H330-E354 IonicContact CE1-OE2 3.56Å; H330-E354 IonicContact NE2-OE2 3.87Å; H330-E354 PolarHBondContact NE2-OE2 2.84Å; H330-H355 AromaticContact CD2-NE2 3.8Å; H330-H355 AromaticContact CE1-CE1 3.49Å; H330-H355 PolarHBondContact CE1-CE1 3.02Å; H330-H355 VanDerWaalsContact CE1-CE1 3.49Å; H330-H355 AromaticContact CE1-NE2 3.64Å; H330-H355 AromaticContact CG-CE1 3.88Å; H330-H355 AromaticContact CG-NE2 3.93Å; H330-H355 AromaticContact ND1-CE1 3.45Å; H330-H355 PolarHBondContact ND1-CE1 3.43Å; H330-H355 AromaticContact ND1-NE2 3.85Å; H330-H355 AromaticContact NE2-CE1 3.94Å; H330-H355 AromaticContact NE2-NE2 3.62Å
331A98.1Very high98.8Very high47 Ų4726.5 Ų26.539%0.38814%0.139SC..THydrogen-bonded Turntrans-90.8-22.8-178.300000113.6R302 L328 G329R302-A331 WeakPolarHBondContact O-CB 3.48Å; L328-A331 WeakPolarHBondContact O-CB 3.39Å; L328-A331 PolarHBondContact O-N 3.2Å; G329-A331 VanDerWaalsContact C-N 3.29Å; G329-A331 PolarHBondContact O-N 2.58Å
332S98.5Very high98.8Very high23 Ų2327.3 Ų27.316%0.16115%0.145CC..  trans-151.9131-179.5-175.90000112.8L328 R334 I335 R358L328-S332 PolarHBondContact O-N 2.8Å; S332-R334 PolarHBondContact O-N 3.47Å; S332-R334 PolarHBondContact OG-N 2.86Å; S332-I335 PolarHBondContact O-N 2.99Å; S332-R358 PolarHBondContact O-NH1 3.41Å
333D98.3Very high98.8Very high136 Ų13629.4 Ų29.473%0.72715%0.154SC*.THydrogen-bonded Turntrans-69-13.9175.2-67.5-34.1000113.5I335 R358D333-I335 VanDerWaalsContact C-N 3.32Å; D333-I335 PolarHBondContact O-N 3.04Å; D333-R358 VanDerWaalsContact CA-NH1 3.33Å; D333-R358 WeakPolarHBondContact O-CD 3.49Å; D333-R358 IonicContact OD1-NH2 3.69Å
334R98.6Very high98.7Very high41 Ų4130.5 Ų30.516%0.15516%0.162CC..THydrogen-bonded Turntrans-73.2-22.9177.8-73.9165.655.2-148.6-7.7113.5V296 D297 A299 I301 S332 I336 V383V296-R334 HydrophobicContact CG1-CG 3.89Å; D297-R334 WeakPolarHBondContact O-CD 3.16Å; D297-R334 VanDerWaalsContact O-CZ 3.23Å; D297-R334 PolarHBondContact O-NE 2.78Å; D297-R334 PolarHBondContact O-NH1 3.42Å; A299-R334 PolarHBondContact O-NH1 3.28Å; I301-R334 HydrophobicContact CD1-CB 4.47Å; S332-R334 PolarHBondContact O-N 3.47Å; S332-R334 PolarHBondContact OG-N 2.86Å; R334-I336 PolarHBondContact O-N 3.35Å; R334-V383 HydrophobicContact CB-CG2 4.19Å; R334-V383 PolarHBondContact O-N 3.09Å
335I98.9Very high98.7Very high0 Ų032 Ų320%017%0.173CC..EExtended strand (participates in β ladder)trans-69.3123.1179.1-56.1-62.3000108.6I301 L325 L328 S332 D333 F351 R358 V383 F385 A462I301-I335 HydrophobicContact CD1-CD1 3.65Å; I301-I335 HydrophobicContact CD1-CG1 4.31Å; I301-I335 HydrophobicContact CG2-CD1 4.46Å; L325-I335 HydrophobicContact CD1-CG2 3.76Å; L328-I335 HydrophobicContact CD2-CD1 3.78Å; L328-I335 HydrophobicContact CD2-CG1 4.24Å; L328-I335 HydrophobicContact CG-CD1 4.23Å; L328-I335 HydrophobicContact CG-CG1 4.17Å; S332-I335 PolarHBondContact O-N 2.99Å; D333-I335 VanDerWaalsContact C-N 3.32Å; D333-I335 PolarHBondContact O-N 3.04Å; I335-F351 HydrophobicContact CB-CE2 4.44Å; I335-F351 HydrophobicContact CG2-CE2 3.72Å; I335-F351 HydrophobicContact CG2-CZ 4.15Å; I335-R358 PolarHBondContact O-NH1 2.86Å; I335-V383 HydrophobicContact CD1-CB 4.07Å; I335-V383 HydrophobicContact CD1-CG1 3.95Å; I335-F385 HydrophobicContact CD1-CE2 4.07Å; I335-F385 HydrophobicContact CG2-CD2 4.3Å; I335-A462 HydrophobicContact CD1-CB 4.22Å
336I98.9Very high98.7Very high2 Ų232.1 Ų32.11%0.0117%0.173CC..EExtended strand (participates in β ladder)trans-124.1148.1169.668.9169.9000109.2F142 R334 L338 R358 I360 C376 T382 V383 P384 F385F142-I336 HydrophobicContact CE1-CG2 4.18Å; F142-I336 HydrophobicContact CE2-CD1 3.79Å; F142-I336 HydrophobicContact CE2-CG2 3.95Å; F142-I336 HydrophobicContact CZ-CB 4.3Å; F142-I336 HydrophobicContact CZ-CD1 4.22Å; F142-I336 HydrophobicContact CZ-CG2 3.7Å; R334-I336 PolarHBondContact O-N 3.35Å; I336-L338 HydrophobicContact CD1-CD1 4.18Å; I336-L338 HydrophobicContact CG1-CD1 4.13Å; I336-R358 WeakPolarHBondContact CA-O 3.22Å; I336-R358 WeakPolarHBondContact CB-O 3.27Å; I336-R358 HydrophobicContact CG2-CB 4.23Å; I336-I360 HydrophobicContact CD1-CD1 4.24Å; I336-C376 HydrophobicContact CD1-CB 3.7Å; I336-T382 HydrophobicContact CD1-CG2 4.13Å; I336-T382 HydrophobicContact CG2-CG2 4.16Å; I336-V383 PolarHBondContact N-O 3.22Å; I336-P384 HydrophobicContact CD1-CB 4.09Å; I336-P384 HydrophobicContact CG1-CB 3.83Å; I336-F385 PolarHBondContact O-N 3.07Å
337A98.9Very high98.7Very high0 Ų033.9 Ų33.90%018%0.18CC..EExtended strand (participates in β ladder)trans-116.2140178.500000110.5L325 F351 R358 F359 I360 F385L325-A337 HydrophobicContact CD2-CB 3.93Å; A337-F351 HydrophobicContact CB-CB 4.31Å; A337-F351 HydrophobicContact CB-CD1 3.35Å; A337-F351 HydrophobicContact CB-CD2 4.49Å; A337-F351 HydrophobicContact CB-CE1 3.7Å; A337-F351 HydrophobicContact CB-CG 3.8Å; A337-F351 HydrophobicContact CB-CZ 4.4Å; A337-R358 PolarHBondContact N-O 3.4Å; A337-F359 HydrophobicContact CB-CD2 3.87Å; A337-F359 HydrophobicContact CB-CE2 4.41Å; A337-F359 CarbonylContact O-C 3.6Å; A337-F359 WeakPolarHBondContact O-CA 3.39Å; A337-I360 PolarHBondContact O-N 2.89Å; A337-F385 CarbonylContact C-O 3.55Å; A337-F385 WeakPolarHBondContact CA-O 3.47Å
338L98.9Very high98.7Very high0 Ų032.3 Ų32.30%017%0.174CC..EExtended strand (participates in β ladder)trans-127.9137.2176.2-54.389.1000108.6I336 I360 M369 I372 A373 P384 F385 C386 S387I336-L338 HydrophobicContact CD1-CD1 4.18Å; I336-L338 HydrophobicContact CG1-CD1 4.13Å; L338-I360 WeakPolarHBondContact CA-O 3.36Å; L338-I360 HydrophobicContact CD2-CB 4.29Å; L338-I360 HydrophobicContact CD2-CD1 4.04Å; L338-I360 HydrophobicContact CG-CB 4.06Å; L338-I360 HydrophobicContact CG-CD1 4.19Å; L338-I360 HydrophobicContact CG-CG1 4.37Å; L338-M369 HydrophobicContact CB-CG 4.03Å; L338-M369 HydrophobicContact CB-SD 4.39Å; L338-I372 HydrophobicContact CD2-CB 4.06Å; L338-I372 HydrophobicContact CD2-CG2 3.59Å; L338-A373 HydrophobicContact CD1-CB 4.17Å; L338-A373 HydrophobicContact CD2-CB 4.15Å; L338-P384 HydrophobicContact CD1-CB 3.73Å; L338-F385 PolarHBondContact N-O 3.26Å; L338-C386 HydrophobicContact CB-CB 4.44Å; L338-C386 CarbonylContact O-C 3.53Å; L338-C386 VanDerWaalsContact O-CA 3.25Å; L338-C386 WeakPolarHBondContact O-CA 3.39Å; L338-S387 PolarHBondContact O-N 3.41Å
339D98.9Very high98.7Very high0 Ų036.1 Ų36.10%019%0.191CC..EExtended strand (participates in β ladder)trans-143.3145.2177.3-160.7-74.2000111.2D341 T342 K343 T346 S348 F359 I360 C362 S387D339-D341 PolarHBondContact O-N 3.28Å; D339-T342 WeakPolarHBondContact OD1-CA 3.35Å; D339-T342 PolarHBondContact OD1-N 2.8Å; D339-T342 PolarHBondContact OD1-OG1 3.4Å; D339-K343 HydrophobicContact CB-CB 4.19Å; D339-K343 PolarHBondContact OD1-N 2.95Å; D339-T346 PolarHBondContact OD2-OG1 2.89Å; D339-S348 WeakPolarHBondContact CB-OG 3.46Å; D339-S348 VanDerWaalsContact CG-OG 3.28Å; D339-S348 PolarHBondContact OD2-OG 3.28Å; D339-F359 HydrophobicContact CB-CE2 4.12Å; D339-F359 HydrophobicContact CB-CZ 3.69Å; D339-I360 PolarHBondContact N-O 2.93Å; D339-C362 WeakPolarHBondContact O-CB 3.14Å; D339-C362 PolarHBondContact O-N 3.22Å; D339-S387 WeakPolarHBondContact CA-O 3.3Å; D339-S387 VanDerWaalsContact CG-O 3.23Å; D339-S387 PolarHBondContact OD2-OG 3.45Å
340G98.7Very high98.7Very high1 Ų137.7 Ų37.71%0.0120%0.2CC..SBendtrans-98.767.4-179.200000113.7T342 Y363 S387G340-T342 PolarHBondContact O-N 2.97Å; G340-T342 VanDerWaalsContact O-N 3.16Å; G340-Y363 CarbonylContact C-O 3.6Å; G340-Y363 WeakPolarHBondContact CA-O 3.46Å; G340-S387 PolarHBondContact N-O 3.4Å
341D98.7Very high98.7Very high83 Ų8332.2 Ų32.244%0.44417%0.174SC..SBendtrans54.525.8-176.4-157.932.8000116.3D339 K343 E361 I364D339-D341 PolarHBondContact O-N 3.28Å; D341-K343 IonicContact OD1-NZ 3.77Å; D341-E361 WeakPolarHBondContact CA-OE1 3.26Å; D341-E361 PolarHBondContact N-OE1 3.02Å; D341-I364 HydrophobicContact CB-CG1 3.92Å
342T98.7Very high98.8Very high18 Ų1834.1 Ų34.111%0.1117%0.174CC..  trans-120.711179.659.60000113.4D339 G340 N344 S345 T346 T388 F389D339-T342 WeakPolarHBondContact OD1-CA 3.35Å; D339-T342 PolarHBondContact OD1-N 2.8Å; D339-T342 PolarHBondContact OD1-OG1 3.4Å; G340-T342 PolarHBondContact O-N 2.97Å; G340-T342 VanDerWaalsContact O-N 3.16Å; T342-N344 PolarHBondContact O-N 3.25Å; T342-S345 CarbonylContact O-C 3.58Å; T342-S345 WeakPolarHBondContact O-CA 3.24Å; T342-S345 WeakPolarHBondContact O-CB 3.32Å; T342-S345 PolarHBondContact O-N 3.23Å; T342-T346 PolarHBondContact O-N 3.37Å; T342-T346 PolarHBondContact O-OG1 2.99Å; T342-T346 WeakPolarHBondContact OG1-CG2 3.37Å; T342-T388 WeakPolarHBondContact OG1-CA 3.2Å; T342-F389 HydrophobicContact CG2-CD1 3.96Å; T342-F389 HydrophobicContact CG2-CE1 3.96Å
343K98.8Very high98.8Very high44 Ų4441.6 Ų41.619%0.19120%0.203CC..Hα-helixtrans-53.7-29.6-173.763.2-174.7162.7-71.20115.9D339 D341 S345 T346 F347 S348 E349 K352 F359 E361D339-K343 HydrophobicContact CB-CB 4.19Å; D339-K343 PolarHBondContact OD1-N 2.95Å; D341-K343 IonicContact OD1-NZ 3.77Å; K343-S345 VanDerWaalsContact C-N 3.31Å; K343-T346 WeakPolarHBondContact CA-OG1 3.35Å; K343-F347 CarbonylContact O-C 3.43Å; K343-F347 WeakPolarHBondContact O-CA 3.5Å; K343-F347 PolarHBondContact O-N 3.36Å; K343-S348 VanDerWaalsContact CA-OG 3.28Å; K343-S348 WeakPolarHBondContact CA-OG 3.35Å; K343-S348 VanDerWaalsContact CB-OG 3.27Å; K343-S348 WeakPolarHBondContact CB-OG 3.23Å; K343-S348 PolarHBondContact O-N 3.43Å; K343-E349 HydrophobicContact CB-CB 4.02Å; K343-E349 HydrophobicContact CD-CB 4.42Å; K343-E349 HydrophobicContact CG-CB 4.07Å; K343-E349 WeakPolarHBondContact O-CB 3.36Å; K343-E349 WeakPolarHBondContact O-CG 3.32Å; K343-E349 PolarHBondContact O-N 3.34Å; K343-E349 VanDerWaalsContact O-N 3.09Å; K343-K352 HydrophobicContact CD-CD 3.84Å; K343-F359 HydrophobicContact CB-CZ 4.03Å; K343-F359 HydrophobicContact CD-CE1 4.33Å; K343-F359 HydrophobicContact CD-CZ 4.04Å; K343-E361 WeakPolarHBondContact CE-OE2 3.38Å; K343-E361 IonicContact NZ-OE2 3.72Å; K343-E361 PolarHBondContact NZ-OE2 3.14Å
344N98.4Very high98.8Very high97 Ų9739.2 Ų39.252%0.51919%0.188SC..Hα-helixtrans-77.9-16.6175.962.8-7.6000113.4T342T342-N344 PolarHBondContact O-N 3.25Å
345S98.6Very high98.8Very high32 Ų3238.2 Ų38.222%0.22419%0.185CC..Hα-helixtrans-104-37.9-177.9-61.50000111.2R318 T342 K343 F347R318-S345 WeakPolarHBondContact CD-O 3.28Å; T342-S345 CarbonylContact O-C 3.58Å; T342-S345 WeakPolarHBondContact O-CA 3.24Å; T342-S345 WeakPolarHBondContact O-CB 3.32Å; T342-S345 PolarHBondContact O-N 3.23Å; K343-S345 VanDerWaalsContact C-N 3.31Å; S345-F347 VanDerWaalsContact C-N 3.31Å
346T98.8Very high98.8Very high1 Ų141.7 Ų41.71%0.00621%0.208CC..Hα-helixtrans-79.8-15.4172.161.60000112.3R318 Y321 D339 T342 K343 S348R318-T346 VanDerWaalsContact O-O 3.08Å; Y321-T346 WeakPolarHBondContact CD1-O 3.04Å; D339-T346 PolarHBondContact OD2-OG1 2.89Å; T342-T346 PolarHBondContact O-N 3.37Å; T342-T346 PolarHBondContact O-OG1 2.99Å; T342-T346 WeakPolarHBondContact OG1-CG2 3.37Å; K343-T346 WeakPolarHBondContact CA-OG1 3.35Å; T346-S348 PolarHBondContact O-N 3.36Å; T346-S348 PolarHBondContact OG1-N 3.41Å; T346-S348 PolarHBondContact OG1-OG 3.31Å
347F98.9Very high98.8Very high38 Ų3848.4 Ų48.417%0.16724%0.243CC..SBendtrans63.713.8-171-62.5-89.9000114.9R318 K319 G322 K343 S345 E349 I350R318-F347 HydrophobicContact CB-CD2 4.28Å; R318-F347 HydrophobicContact CG-CD2 3.87Å; R318-F347 HydrophobicContact CG-CE2 3.75Å; K319-F347 HydrophobicContact CB-CD1 4.28Å; K319-F347 HydrophobicContact CB-CD2 3.89Å; K319-F347 HydrophobicContact CB-CE1 4.28Å; K319-F347 HydrophobicContact CB-CE2 3.9Å; K319-F347 HydrophobicContact CB-CG 4.08Å; K319-F347 HydrophobicContact CB-CZ 4.09Å; K319-F347 HydrophobicContact CD-CE1 4.17Å; K319-F347 HydrophobicContact CD-CZ 4.35Å; K319-F347 HydrophobicContact CG-CD1 3.97Å; K319-F347 HydrophobicContact CG-CD2 4.47Å; K319-F347 HydrophobicContact CG-CE1 3.99Å; K319-F347 HydrophobicContact CG-CE2 4.49Å; K319-F347 HydrophobicContact CG-CG 4.21Å; K319-F347 HydrophobicContact CG-CZ 4.25Å; G322-F347 VanDerWaalsContact CA-O 3.25Å; G322-F347 WeakPolarHBondContact CA-O 3.36Å; K343-F347 CarbonylContact O-C 3.43Å; K343-F347 WeakPolarHBondContact O-CA 3.5Å; K343-F347 PolarHBondContact O-N 3.36Å; S345-F347 VanDerWaalsContact C-N 3.31Å; F347-E349 PolarHBondContact O-N 3.35Å; F347-E349 VanDerWaalsContact O-N 3.15Å; F347-I350 HydrophobicContact CB-CD1 4.01Å; F347-I350 HydrophobicContact CB-CG1 4.42Å; F347-I350 HydrophobicContact CD1-CD1 4.25Å; F347-I350 WeakPolarHBondContact O-CB 3.3Å; F347-I350 WeakPolarHBondContact O-CG1 3.37Å; F347-I350 PolarHBondContact O-N 3.22Å; F347-I350 VanDerWaalsContact O-N 3.1Å
348S98.9Very high98.8Very high0 Ų049.8 Ų49.80%025%0.249CC..THydrogen-bonded Turntrans-63.4-15.4169.570.70000112.3D339 K343 T346 I350 F351 K352 S387D339-S348 WeakPolarHBondContact CB-OG 3.46Å; D339-S348 VanDerWaalsContact CG-OG 3.28Å; D339-S348 PolarHBondContact OD2-OG 3.28Å; K343-S348 VanDerWaalsContact CA-OG 3.28Å; K343-S348 WeakPolarHBondContact CA-OG 3.35Å; K343-S348 VanDerWaalsContact CB-OG 3.27Å; K343-S348 WeakPolarHBondContact CB-OG 3.23Å; K343-S348 PolarHBondContact O-N 3.43Å; T346-S348 PolarHBondContact O-N 3.36Å; T346-S348 PolarHBondContact OG1-N 3.41Å; T346-S348 PolarHBondContact OG1-OG 3.31Å; S348-I350 PolarHBondContact O-N 3.31Å; S348-I350 VanDerWaalsContact O-N 3.17Å; S348-F351 WeakPolarHBondContact O-CB 3.36Å; S348-F351 PolarHBondContact O-N 2.99Å; S348-K352 PolarHBondContact O-N 3.48Å; S348-S387 VanDerWaalsContact CB-OG 3.27Å; S348-S387 WeakPolarHBondContact CB-OG 3.5Å; S348-S387 PolarHBondContact OG-OG 2.63Å
349E98.9Very high98.8Very high80 Ų8050.3 Ų50.337%0.37425%0.251SS..Hα-helixtrans-58.5-24.8170.771.9179.7166.700113.4K343 F347 K352 K353K343-E349 HydrophobicContact CB-CB 4.02Å; K343-E349 HydrophobicContact CD-CB 4.42Å; K343-E349 HydrophobicContact CG-CB 4.07Å; K343-E349 WeakPolarHBondContact O-CB 3.36Å; K343-E349 WeakPolarHBondContact O-CG 3.32Å; K343-E349 PolarHBondContact O-N 3.34Å; K343-E349 VanDerWaalsContact O-N 3.09Å; F347-E349 PolarHBondContact O-N 3.35Å; F347-E349 VanDerWaalsContact O-N 3.15Å; E349-K352 WeakPolarHBondContact O-CB 3.32Å; E349-K352 PolarHBondContact O-N 2.78Å; E349-K353 WeakPolarHBondContact O-CB 3.45Å; E349-K353 PolarHBondContact O-N 2.87Å
350I98.9Very high98.8Very high34 Ų3450.3 Ų50.317%0.17425%0.251CS..Hα-helixtrans-65.5-46.2175-57.2175.9000109.1Q323 A326 F347 S348 K352 K353 E354Q323-I350 HydrophobicContact CG-CD1 3.95Å; A326-I350 HydrophobicContact CB-CB 4.48Å; A326-I350 HydrophobicContact CB-CG2 3.73Å; F347-I350 HydrophobicContact CB-CD1 4.01Å; F347-I350 HydrophobicContact CB-CG1 4.42Å; F347-I350 HydrophobicContact CD1-CD1 4.25Å; F347-I350 WeakPolarHBondContact O-CB 3.3Å; F347-I350 WeakPolarHBondContact O-CG1 3.37Å; F347-I350 PolarHBondContact O-N 3.22Å; F347-I350 VanDerWaalsContact O-N 3.1Å; S348-I350 PolarHBondContact O-N 3.31Å; S348-I350 VanDerWaalsContact O-N 3.17Å; I350-K352 VanDerWaalsContact C-N 3.35Å; I350-K352 PolarHBondContact O-N 2.54Å; I350-K353 PolarHBondContact O-N 2.72Å; I350-E354 PolarHBondContact O-N 2.9Å
351F98.9Very high98.8Very high0 Ų051.2 Ų51.20%026%0.255CS..Hα-helixtrans-61.6-44.1172.7-175.6-82000110.9L325 A326 I335 A337 S348 K353 E354 H355 R358 F359L325-F351 HydrophobicContact CD2-CB 4.21Å; L325-F351 HydrophobicContact CD2-CD2 4.32Å; L325-F351 HydrophobicContact CD2-CG 4.35Å; L325-F351 HydrophobicContact CG-CB 4.31Å; L325-F351 HydrophobicContact CG-CD2 3.75Å; L325-F351 HydrophobicContact CG-CE2 4.43Å; L325-F351 HydrophobicContact CG-CG 4.25Å; L325-F351 WeakPolarHBondContact O-CD2 3.48Å; A326-F351 HydrophobicContact CB-CB 4.43Å; I335-F351 HydrophobicContact CB-CE2 4.44Å; I335-F351 HydrophobicContact CG2-CE2 3.72Å; I335-F351 HydrophobicContact CG2-CZ 4.15Å; A337-F351 HydrophobicContact CB-CB 4.31Å; A337-F351 HydrophobicContact CB-CD1 3.35Å; A337-F351 HydrophobicContact CB-CD2 4.49Å; A337-F351 HydrophobicContact CB-CE1 3.7Å; A337-F351 HydrophobicContact CB-CG 3.8Å; A337-F351 HydrophobicContact CB-CZ 4.4Å; S348-F351 WeakPolarHBondContact O-CB 3.36Å; S348-F351 PolarHBondContact O-N 2.99Å; F351-K353 VanDerWaalsContact C-N 3.25Å; F351-K353 PolarHBondContact O-N 3.45Å; F351-E354 PolarHBondContact O-N 3.34Å; F351-H355 HydrophobicContact CD1-CB 4.1Å; F351-H355 AromaticContact CD2-CD2 3.79Å; F351-H355 HydrophobicContact CE1-CB 3.66Å; F351-H355 HydrophobicContact CE2-CB 4.18Å; F351-H355 AromaticContact CE2-CD2 3.71Å; F351-H355 HydrophobicContact CZ-CB 3.71Å; F351-H355 WeakPolarHBondContact O-CA 3.22Å; F351-H355 PolarHBondContact O-N 3.17Å; F351-R358 HydrophobicContact CE1-CB 3.89Å; F351-R358 WeakPolarHBondContact CE1-O 3.42Å; F351-R358 HydrophobicContact CZ-CB 3.98Å; F351-F359 HydrophobicContact CD1-CB 4.33Å; F351-F359 HydrophobicContact CD1-CD2 4.28Å
352K98.8Very high98.8Very high86 Ų8647.4 Ų47.437%0.37424%0.235SC..Hα-helixtrans-56.7-38.8176.5-171.2177.9-172.8-71.90112.8K343 S348 E349 I350 P356 F359K343-K352 HydrophobicContact CD-CD 3.84Å; S348-K352 PolarHBondContact O-N 3.48Å; E349-K352 WeakPolarHBondContact O-CB 3.32Å; E349-K352 PolarHBondContact O-N 2.78Å; I350-K352 VanDerWaalsContact C-N 3.35Å; I350-K352 PolarHBondContact O-N 2.54Å; K352-P356 WeakPolarHBondContact O-CA 3.27Å; K352-P356 WeakPolarHBondContact O-CB 3.2Å; K352-F359 HydrophobicContact CB-CB 4.05Å; K352-F359 HydrophobicContact CB-CD1 4.04Å; K352-F359 HydrophobicContact CB-CD2 3.54Å; K352-F359 HydrophobicContact CB-CE1 4.39Å; K352-F359 HydrophobicContact CB-CE2 3.93Å; K352-F359 HydrophobicContact CB-CG 3.59Å; K352-F359 HydrophobicContact CB-CZ 4.33Å; K352-F359 HydrophobicContact CD-CD1 3.58Å; K352-F359 HydrophobicContact CD-CD2 4.5Å; K352-F359 HydrophobicContact CD-CE1 3.6Å; K352-F359 HydrophobicContact CD-CG 4.05Å; K352-F359 HydrophobicContact CD-CZ 4.07Å; K352-F359 HydrophobicContact CG-CB 3.96Å; K352-F359 HydrophobicContact CG-CD1 3.63Å; K352-F359 HydrophobicContact CG-CD2 4.09Å; K352-F359 HydrophobicContact CG-CE1 4.12Å; K352-F359 HydrophobicContact CG-CG 3.61Å
353K98.8Very high98.8Very high180 Ų18051.6 Ų51.678%0.78325%0.249SC*.Hα-helixtrans-67.9-40.4179.9-179.1-178.9175.7-1760111.7E349 I350 F351E349-K353 WeakPolarHBondContact O-CB 3.45Å; E349-K353 PolarHBondContact O-N 2.87Å; I350-K353 PolarHBondContact O-N 2.72Å; F351-K353 VanDerWaalsContact C-N 3.25Å; F351-K353 PolarHBondContact O-N 3.45Å
354E98.8Very high98.8Very high86 Ų8655.7 Ų55.740%0.40227%0.272SS..Hα-helixtrans-87.6-31.8-174.8-65.4-179.5-155.900112.8H330 I350 F351H330-E354 IonicContact CD2-OE2 2.85Å; H330-E354 IonicContact CE1-OE2 3.56Å; H330-E354 IonicContact NE2-OE2 3.87Å; H330-E354 PolarHBondContact NE2-OE2 2.84Å; I350-E354 PolarHBondContact O-N 2.9Å; F351-E354 PolarHBondContact O-N 3.34Å
355H98.8Very high98.8Very high20 Ų2051.6 Ų51.69%0.09325%0.252CS..  trans-134.658.2-174.4-53.1-67.9000111.5A326 H330 F351 D357 R358 F359A326-H355 PolarHBondContact O-NE2 3.03Å; A326-H355 VanDerWaalsContact O-NE2 3.08Å; H330-H355 AromaticContact CD2-NE2 3.8Å; H330-H355 AromaticContact CE1-CE1 3.49Å; H330-H355 PolarHBondContact CE1-CE1 3.02Å; H330-H355 VanDerWaalsContact CE1-CE1 3.49Å; H330-H355 AromaticContact CE1-NE2 3.64Å; H330-H355 AromaticContact CG-CE1 3.88Å; H330-H355 AromaticContact CG-NE2 3.93Å; H330-H355 AromaticContact ND1-CE1 3.45Å; H330-H355 PolarHBondContact ND1-CE1 3.43Å; H330-H355 AromaticContact ND1-NE2 3.85Å; H330-H355 AromaticContact NE2-CE1 3.94Å; H330-H355 AromaticContact NE2-NE2 3.62Å; F351-H355 HydrophobicContact CD1-CB 4.1Å; F351-H355 AromaticContact CD2-CD2 3.79Å; F351-H355 HydrophobicContact CE1-CB 3.66Å; F351-H355 HydrophobicContact CE2-CB 4.18Å; F351-H355 AromaticContact CE2-CD2 3.71Å; F351-H355 HydrophobicContact CZ-CB 3.71Å; F351-H355 WeakPolarHBondContact O-CA 3.22Å; F351-H355 PolarHBondContact O-N 3.17Å; H355-D357 VanDerWaalsContact C-N 3.27Å; H355-D357 PolarHBondContact O-N 2.69Å; H355-R358 HydrophobicContact CB-CB 4.46Å; H355-R358 PolarHBondContact CE1-NH2 3.33Å; H355-R358 PolarHBondContact ND1-NH2 3.32Å; H355-R358 PolarHBondContact O-N 3.33Å; H355-F359 PolarHBondContact O-N 2.87Å
356P98.8Very high98.9Very high74 Ų7450.7 Ų50.748%0.48124%0.244SC..G310 helixtrans-59.3-35.1-171.423.2-34.2000113.5K352 R358 F359K352-P356 WeakPolarHBondContact O-CA 3.27Å; K352-P356 WeakPolarHBondContact O-CB 3.2Å; P356-R358 PolarHBondContact O-N 3.39Å; P356-F359 PolarHBondContact O-N 2.95Å
357D98.8Very high98.9Very high142 Ų14252.4 Ų52.476%0.75925%0.252SS*.G310 helixtrans-69.4-14.8-179.4-64.2-18000113.2F142 H355F142-D357 WeakPolarHBondContact CE1-O 3.34Å; H355-D357 VanDerWaalsContact C-N 3.27Å; H355-D357 PolarHBondContact O-N 2.69Å
358R98.8Very high98.9Very high30 Ų3050.7 Ų50.711%0.11324%0.244CC..G310 helixtrans-111.49.8179.7-66.2-174.9-68.2153.4-15.5112.9F142 G329 S332 D333 I335 I336 A337 F351 H355 P356F142-R358 HydrophobicContact CE1-CG 4.47Å; G329-R358 PolarHBondContact O-NH1 3.19Å; G329-R358 PolarHBondContact O-NH2 3.12Å; S332-R358 PolarHBondContact O-NH1 3.41Å; D333-R358 VanDerWaalsContact CA-NH1 3.33Å; D333-R358 WeakPolarHBondContact O-CD 3.49Å; D333-R358 IonicContact OD1-NH2 3.69Å; I335-R358 PolarHBondContact O-NH1 2.86Å; I336-R358 WeakPolarHBondContact CA-O 3.22Å; I336-R358 WeakPolarHBondContact CB-O 3.27Å; I336-R358 HydrophobicContact CG2-CB 4.23Å; A337-R358 PolarHBondContact N-O 3.4Å; F351-R358 HydrophobicContact CE1-CB 3.89Å; F351-R358 WeakPolarHBondContact CE1-O 3.42Å; F351-R358 HydrophobicContact CZ-CB 3.98Å; H355-R358 HydrophobicContact CB-CB 4.46Å; H355-R358 PolarHBondContact CE1-NH2 3.33Å; H355-R358 PolarHBondContact ND1-NH2 3.32Å; H355-R358 PolarHBondContact O-N 3.33Å; P356-R358 PolarHBondContact O-N 3.39Å
359F98.9Very high98.9Very high11 Ų1150.7 Ų50.75%0.04824%0.244CC..EExtended strand (participates in β ladder)trans-103.9129.9174.2-175.6-84000110.3A337 D339 K343 F351 K352 H355 P356 E361A337-F359 HydrophobicContact CB-CD2 3.87Å; A337-F359 HydrophobicContact CB-CE2 4.41Å; A337-F359 CarbonylContact O-C 3.6Å; A337-F359 WeakPolarHBondContact O-CA 3.39Å; D339-F359 HydrophobicContact CB-CE2 4.12Å; D339-F359 HydrophobicContact CB-CZ 3.69Å; K343-F359 HydrophobicContact CB-CZ 4.03Å; K343-F359 HydrophobicContact CD-CE1 4.33Å; K343-F359 HydrophobicContact CD-CZ 4.04Å; F351-F359 HydrophobicContact CD1-CB 4.33Å; F351-F359 HydrophobicContact CD1-CD2 4.28Å; K352-F359 HydrophobicContact CB-CB 4.05Å; K352-F359 HydrophobicContact CB-CD1 4.04Å; K352-F359 HydrophobicContact CB-CD2 3.54Å; K352-F359 HydrophobicContact CB-CE1 4.39Å; K352-F359 HydrophobicContact CB-CE2 3.93Å; K352-F359 HydrophobicContact CB-CG 3.59Å; K352-F359 HydrophobicContact CB-CZ 4.33Å; K352-F359 HydrophobicContact CD-CD1 3.58Å; K352-F359 HydrophobicContact CD-CD2 4.5Å; K352-F359 HydrophobicContact CD-CE1 3.6Å; K352-F359 HydrophobicContact CD-CG 4.05Å; K352-F359 HydrophobicContact CD-CZ 4.07Å; K352-F359 HydrophobicContact CG-CB 3.96Å; K352-F359 HydrophobicContact CG-CD1 3.63Å; K352-F359 HydrophobicContact CG-CD2 4.09Å; K352-F359 HydrophobicContact CG-CE1 4.12Å; K352-F359 HydrophobicContact CG-CG 3.61Å; H355-F359 PolarHBondContact O-N 2.87Å; P356-F359 PolarHBondContact O-N 2.95Å; F359-E361 HydrophobicContact CE1-CB 4.13Å
360I98.9Very high98.9Very high0 Ų046.9 Ų46.90%023%0.226CC..EExtended strand (participates in β ladder)trans-112.6113177.3-47.8-178.5000108.2Y137 F142 F169 Y173 I336 A337 L338 D339 C362 I372Y137-I360 HydrophobicContact CD1-CD1 3.85Å; Y137-I360 HydrophobicContact CE1-CD1 3.67Å; Y137-I360 HydrophobicContact CE1-CG1 3.91Å; Y137-I360 HydrophobicContact CE2-CD1 4.44Å; Y137-I360 HydrophobicContact CE2-CG1 4.43Å; Y137-I360 HydrophobicContact CE2-CG2 4.19Å; Y137-I360 HydrophobicContact CG-CD1 4.37Å; F142-I360 HydrophobicContact CE2-CD1 4.22Å; F142-I360 HydrophobicContact CZ-CD1 4.11Å; F142-I360 HydrophobicContact CZ-CG1 4.4Å; F169-I360 HydrophobicContact CE2-CG2 3.69Å; F169-I360 HydrophobicContact CZ-CG2 3.8Å; Y173-I360 HydrophobicContact CE2-CG2 4.23Å; I336-I360 HydrophobicContact CD1-CD1 4.24Å; A337-I360 PolarHBondContact O-N 2.89Å; L338-I360 WeakPolarHBondContact CA-O 3.36Å; L338-I360 HydrophobicContact CD2-CB 4.29Å; L338-I360 HydrophobicContact CD2-CD1 4.04Å; L338-I360 HydrophobicContact CG-CB 4.06Å; L338-I360 HydrophobicContact CG-CD1 4.19Å; L338-I360 HydrophobicContact CG-CG1 4.37Å; D339-I360 PolarHBondContact N-O 2.93Å; I360-C362 PolarHBondContact O-N 3.45Å; I360-I372 HydrophobicContact CD1-CG2 4.34Å
361E98.9Very high98.9Very high19 Ų1945.6 Ų45.69%0.08922%0.22CC..EExtended strand (participates in β ladder)trans-76.4113.7169.3178.560.1-117.400109.1Y173 D341 K343 F359 Y363Y173-E361 WeakPolarHBondContact CE2-O 3.48Å; Y173-E361 VanDerWaalsContact OH-C 3.31Å; Y173-E361 WeakPolarHBondContact OH-CA 3.48Å; Y173-E361 WeakPolarHBondContact OH-CB 3.43Å; Y173-E361 PolarHBondContact OH-N 3.28Å; Y173-E361 PolarHBondContact OH-O 3.21Å; D341-E361 WeakPolarHBondContact CA-OE1 3.26Å; D341-E361 PolarHBondContact N-OE1 3.02Å; K343-E361 WeakPolarHBondContact CE-OE2 3.38Å; K343-E361 IonicContact NZ-OE2 3.72Å; K343-E361 PolarHBondContact NZ-OE2 3.14Å; F359-E361 HydrophobicContact CE1-CB 4.13Å; E361-Y363 HydrophobicContact CG-CD1 4.31Å; E361-Y363 HydrophobicContact CG-CD2 4.36Å; E361-Y363 HydrophobicContact CG-CE1 4.22Å; E361-Y363 HydrophobicContact CG-CE2 4.22Å; E361-Y363 HydrophobicContact CG-CG 4.39Å; E361-Y363 PolarHBondContact OE1-N 2.77Å
362C98.9Very high98.9Very high3 Ų345.6 Ų45.62%0.0222%0.22CC..  trans-94.8-6.1-178.4-69.70000113.2D339 I360 M369D339-C362 WeakPolarHBondContact O-CB 3.14Å; D339-C362 PolarHBondContact O-N 3.22Å; I360-C362 PolarHBondContact O-N 3.45Å; C362-M369 HydrophobicContact CB-CB 3.7Å; C362-M369 HydrophobicContact CB-CG 3.86Å; C362-M369 HydrophobicContact CB-SD 4.3Å
363Y98.8Very high98.9Very high106 Ų10641.5 Ų41.542%0.41620%0.203SC..  trans59.1-170.2-174.8-52.8-90.2000112I172 G340 E361 A365I172-Y363 HydrophobicContact CD1-CD2 4.15Å; I172-Y363 HydrophobicContact CD1-CE2 3.71Å; I172-Y363 HydrophobicContact CG2-CE2 3.91Å; G340-Y363 CarbonylContact C-O 3.6Å; G340-Y363 WeakPolarHBondContact CA-O 3.46Å; E361-Y363 HydrophobicContact CG-CD1 4.31Å; E361-Y363 HydrophobicContact CG-CD2 4.36Å; E361-Y363 HydrophobicContact CG-CE1 4.22Å; E361-Y363 HydrophobicContact CG-CE2 4.22Å; E361-Y363 HydrophobicContact CG-CG 4.39Å; E361-Y363 PolarHBondContact OE1-N 2.77Å; Y363-A365 PolarHBondContact O-N 3.14Å
364I98.9Very high98.9Very high131 Ų13133.3 Ų33.367%0.67217%0.168SC*.SBendtrans-76.670.9-179.3-48.9174.3000110D341D341-I364 HydrophobicContact CB-CG1 3.92Å
365A98.9Very high98.9Very high11 Ų1129.3 Ų29.39%0.09115%0.149CC..  trans-152.766.9-172.300000111.3E165 Y363 Q367 N368 M369E165-A365 HydrophobicContact CB-CB 4.13Å; E165-A365 HydrophobicContact CG-CB 3.91Å; Y363-A365 PolarHBondContact O-N 3.14Å; A365-Q367 VanDerWaalsContact C-N 3.32Å; A365-Q367 PolarHBondContact O-N 2.98Å; A365-N368 HydrophobicContact CB-CB 4.45Å; A365-N368 PolarHBondContact O-N 3.47Å; A365-M369 PolarHBondContact O-N 3.24Å
366E98.9Very high98.9Very high13 Ų1328.3 Ų28.36%0.06115%0.145CC..Hα-helixtrans-64.9-33.8-171.7-61.677.3-168.700113.2M369 V370 T388 F392 R395 A396E366-M369 PolarHBondContact O-N 3.29Å; E366-V370 PolarHBondContact O-N 3.32Å; E366-V370 VanDerWaalsContact O-N 3.12Å; E366-T388 HydrophobicContact CG-CG2 4.1Å; E366-F392 HydrophobicContact CG-CB 4.12Å; E366-R395 HydrophobicContact CB-CB 4.27Å; E366-R395 HydrophobicContact CB-CG 4.43Å; E366-A396 HydrophobicContact CB-CB 4.16Å; E366-A396 WeakPolarHBondContact O-CB 3.41Å
367Q98.9Very high98.9Very high37 Ų3725.1 Ų25.117%0.17312%0.124CC..Hα-helixtrans-59.7-54176.9-66.4177.492.500109.6E165 A365 M369 V370 S371 R395 Q399E165-Q367 PolarHBondContact OE1-NE2 3.25Å; E165-Q367 WeakPolarHBondContact OE2-CB 3.34Å; A365-Q367 VanDerWaalsContact C-N 3.32Å; A365-Q367 PolarHBondContact O-N 2.98Å; Q367-M369 PolarHBondContact O-N 3.34Å; Q367-V370 PolarHBondContact O-N 3.42Å; Q367-S371 PolarHBondContact O-N 2.95Å; Q367-S371 VanDerWaalsContact O-N 3.16Å; Q367-S371 PolarHBondContact O-OG 2.84Å; Q367-R395 HydrophobicContact CG-CG 4.24Å; Q367-R395 WeakPolarHBondContact CG-O 3.44Å; Q367-Q399 HydrophobicContact CB-CG 4.4Å
368N98.9Very high98.9Very high1 Ų119 Ų191%0.0059%0.092CC..Hα-helixtrans-64.2-40.9178-174.352.8000111.8G130 E165 A166 F169 A365 V370 S371 I372G130-N368 WeakPolarHBondContact CA-OD1 2.93Å; E165-N368 HydrophobicContact CB-CB 3.59Å; E165-N368 WeakPolarHBondContact OE2-CB 3.49Å; E165-N368 PolarHBondContact OE2-N 2.88Å; A166-N368 WeakPolarHBondContact CB-OD1 3.45Å; F169-N368 VanDerWaalsContact CB-ND2 3.34Å; F169-N368 WeakPolarHBondContact CB-ND2 3.36Å; A365-N368 HydrophobicContact CB-CB 4.45Å; A365-N368 PolarHBondContact O-N 3.47Å; N368-V370 VanDerWaalsContact C-N 3.29Å; N368-V370 PolarHBondContact O-N 3.36Å; N368-S371 CarbonylContact O-C 3.48Å; N368-S371 PolarHBondContact O-N 3.49Å; N368-I372 VanDerWaalsContact O-CG1 3.23Å; N368-I372 WeakPolarHBondContact O-CG1 3.46Å; N368-I372 PolarHBondContact O-N 3.16Å
369M98.9Very high98.9Very high0 Ų019.7 Ų19.70%010%0.095CC..Hα-helixtrans-51.9-46.7176.8179.917762.100112.4L338 C362 A365 E366 Q367 I372 A373 C386 T388 F393L338-M369 HydrophobicContact CB-CG 4.03Å; L338-M369 HydrophobicContact CB-SD 4.39Å; C362-M369 HydrophobicContact CB-CB 3.7Å; C362-M369 HydrophobicContact CB-CG 3.86Å; C362-M369 HydrophobicContact CB-SD 4.3Å; A365-M369 PolarHBondContact O-N 3.24Å; E366-M369 PolarHBondContact O-N 3.29Å; Q367-M369 PolarHBondContact O-N 3.34Å; M369-I372 PolarHBondContact O-N 3.48Å; M369-A373 PolarHBondContact O-N 3.27Å; M369-A373 VanDerWaalsContact O-N 3.13Å; M369-C386 HydrophobicContact CE-CB 4.11Å; M369-C386 HydrophobicContact CG-CB 4.14Å; M369-C386 HydrophobicContact SD-CB 4.01Å; M369-T388 HydrophobicContact CE-CG2 3.9Å; M369-F393 HydrophobicContact CE-CE1 3.85Å; M369-F393 HydrophobicContact CE-CZ 4.38Å
370V98.9Very high98.9Very high0 Ų023.5 Ų23.50%012%0.116CC..Hα-helixtrans-65.6-44.6177.1175.20000110.9E366 Q367 N368 I372 A373 V374 F393 A396 Q399 I400 I410 L412E366-V370 PolarHBondContact O-N 3.32Å; E366-V370 VanDerWaalsContact O-N 3.12Å; Q367-V370 PolarHBondContact O-N 3.42Å; N368-V370 VanDerWaalsContact C-N 3.29Å; N368-V370 PolarHBondContact O-N 3.36Å; V370-I372 PolarHBondContact O-N 2.89Å; V370-A373 PolarHBondContact O-N 3.22Å; V370-V374 WeakPolarHBondContact O-CG2 3.49Å; V370-V374 PolarHBondContact O-N 3.33Å; V370-F393 HydrophobicContact CG2-CD1 4.39Å; V370-F393 HydrophobicContact CG2-CE1 4.32Å; V370-A396 HydrophobicContact CB-CB 4.29Å; V370-A396 HydrophobicContact CG2-CB 3.67Å; V370-Q399 HydrophobicContact CB-CB 3.97Å; V370-Q399 HydrophobicContact CG1-CB 3.74Å; V370-I400 HydrophobicContact CG1-CG1 3.99Å; V370-I400 HydrophobicContact CG2-CG1 4.18Å; V370-I410 HydrophobicContact CG1-CD1 4.08Å; V370-L412 HydrophobicContact CG2-CD2 4.39Å
371S98.9Very high98.9Very high7 Ų724.5 Ų24.55%0.04912%0.119CC..Hα-helixtrans-62.2-38.6177-650000113.2A131 Q367 N368 V374 G375 Q399A131-S371 WeakPolarHBondContact CA-O 3.36Å; Q367-S371 PolarHBondContact O-N 2.95Å; Q367-S371 VanDerWaalsContact O-N 3.16Å; Q367-S371 PolarHBondContact O-OG 2.84Å; N368-S371 CarbonylContact O-C 3.48Å; N368-S371 PolarHBondContact O-N 3.49Å; S371-V374 PolarHBondContact O-N 3.11Å; S371-G375 PolarHBondContact O-N 3.08Å; S371-Q399 WeakPolarHBondContact OG-CG 3.23Å
372I99Very high98.9Very high0 Ų024 Ų240%012%0.118CC..Hα-helixtrans-59.7-48.7174.1-64.2-66.1000109.7G130 C133 G134 F169 L338 I360 N368 M369 V370 V374 G375 C376G130-I372 WeakPolarHBondContact O-CD1 3.29Å; C133-I372 HydrophobicContact CB-CD1 3.27Å; G134-I372 WeakPolarHBondContact CA-O 3.21Å; F169-I372 HydrophobicContact CD1-CD1 3.58Å; F169-I372 HydrophobicContact CD1-CG1 4.48Å; F169-I372 HydrophobicContact CD2-CD1 4.23Å; F169-I372 HydrophobicContact CD2-CG1 4.3Å; F169-I372 HydrophobicContact CE1-CD1 3.42Å; F169-I372 VanDerWaalsContact CE1-CD1 3.42Å; F169-I372 HydrophobicContact CE1-CG1 4.27Å; F169-I372 HydrophobicContact CE2-CD1 4.07Å; F169-I372 HydrophobicContact CE2-CG1 4.05Å; F169-I372 HydrophobicContact CG-CD1 4Å; F169-I372 HydrophobicContact CZ-CD1 3.68Å; F169-I372 HydrophobicContact CZ-CG1 4.05Å; F169-I372 HydrophobicContact CZ-CG2 4.07Å; L338-I372 HydrophobicContact CD2-CB 4.06Å; L338-I372 HydrophobicContact CD2-CG2 3.59Å; I360-I372 HydrophobicContact CD1-CG2 4.34Å; N368-I372 VanDerWaalsContact O-CG1 3.23Å; N368-I372 WeakPolarHBondContact O-CG1 3.46Å; N368-I372 PolarHBondContact O-N 3.16Å; M369-I372 PolarHBondContact O-N 3.48Å; V370-I372 PolarHBondContact O-N 2.89Å; I372-V374 VanDerWaalsContact C-N 3.35Å; I372-V374 PolarHBondContact O-N 3.48Å; I372-G375 WeakPolarHBondContact O-CA 3.49Å; I372-G375 PolarHBondContact O-N 3.28Å; I372-G375 VanDerWaalsContact O-N 3.11Å; I372-C376 PolarHBondContact O-N 3.4Å; I372-C376 PolarHBondContact O-SG 3.23Å
373A98.9Very high98.9Very high0 Ų024.5 Ų24.50%012%0.121CC..Hα-helixtrans-61.3-42178.600000112.7L338 M369 V370 G375 C376 A377 P384 C386 I410L338-A373 HydrophobicContact CD1-CB 4.17Å; L338-A373 HydrophobicContact CD2-CB 4.15Å; M369-A373 PolarHBondContact O-N 3.27Å; M369-A373 VanDerWaalsContact O-N 3.13Å; V370-A373 PolarHBondContact O-N 3.22Å; A373-G375 VanDerWaalsContact C-N 3.31Å; A373-G375 PolarHBondContact O-N 3.34Å; A373-C376 PolarHBondContact O-N 3.39Å; A373-A377 WeakPolarHBondContact O-CB 3.29Å; A373-A377 PolarHBondContact O-N 2.89Å; A373-P384 HydrophobicContact CB-CB 3.91Å; A373-P384 HydrophobicContact CB-CG 4.09Å; A373-C386 WeakPolarHBondContact CB-SG 3.3Å; A373-I410 HydrophobicContact CB-CG2 4.26Å
374V98.9Very high98.9Very high9 Ų919.5 Ų19.56%0.05510%0.101CC..Hα-helixtrans-57.7-46.3172.9172.70000110.4V120 V370 S371 I372 C376 A377 T378 A403 I410V120-V374 HydrophobicContact CG1-CG1 3.63Å; V370-V374 WeakPolarHBondContact O-CG2 3.49Å; V370-V374 PolarHBondContact O-N 3.33Å; S371-V374 PolarHBondContact O-N 3.11Å; I372-V374 VanDerWaalsContact C-N 3.35Å; I372-V374 PolarHBondContact O-N 3.48Å; V374-C376 PolarHBondContact O-N 3.27Å; V374-A377 PolarHBondContact O-N 2.85Å; V374-T378 WeakPolarHBondContact O-CG2 3.32Å; V374-T378 PolarHBondContact O-N 3.44Å; V374-A403 HydrophobicContact CG2-CB 3.51Å; V374-I410 HydrophobicContact CG2-CD1 3.95Å; V374-I410 HydrophobicContact CG2-CG2 4.32Å
375G98.9Very high98.9Very high1 Ų113.2 Ų13.21%0.017%0.069CC..Hα-helixtrans-56.3-48.2175.200000113.2A131 S371 I372 A373 A377 T378A131-G375 WeakPolarHBondContact O-CA 3.48Å; S371-G375 PolarHBondContact O-N 3.08Å; I372-G375 WeakPolarHBondContact O-CA 3.49Å; I372-G375 PolarHBondContact O-N 3.28Å; I372-G375 VanDerWaalsContact O-N 3.11Å; A373-G375 VanDerWaalsContact C-N 3.31Å; A373-G375 PolarHBondContact O-N 3.34Å; G375-A377 VanDerWaalsContact C-N 3.34Å; G375-A377 PolarHBondContact O-N 3.36Å; G375-T378 PolarHBondContact O-N 3.37Å; G375-T378 PolarHBondContact O-OG1 3.12Å
376C98.9Very high98.9Very high0 Ų012.7 Ų12.70%07%0.065CC..Hα-helixtrans-66.7-31.1178.9-62.80000113.4G134 T138 I336 I372 A373 V374 T378 T382G134-C376 PolarHBondContact O-SG 2.83Å; T138-C376 WeakPolarHBondContact OG1-CA 3.04Å; T138-C376 PolarHBondContact OG1-SG 2.88Å; T138-C376 VanDerWaalsContact OG1-SG 3.4Å; I336-C376 HydrophobicContact CD1-CB 3.7Å; I372-C376 PolarHBondContact O-N 3.4Å; I372-C376 PolarHBondContact O-SG 3.23Å; A373-C376 PolarHBondContact O-N 3.39Å; V374-C376 PolarHBondContact O-N 3.27Å; C376-T378 VanDerWaalsContact C-N 3.34Å; C376-T382 WeakPolarHBondContact CB-OG1 3.24Å; C376-T382 PolarHBondContact O-N 2.85Å; C376-T382 PolarHBondContact O-OG1 2.85Å
377A98.9Very high98.9Very high6 Ų612.1 Ų12.15%0.056%0.062CC..Hα-helixtrans-77.4-19.6178.200000113.2A373 V374 G375 N380 P384 I410A373-A377 WeakPolarHBondContact O-CB 3.29Å; A373-A377 PolarHBondContact O-N 2.89Å; V374-A377 PolarHBondContact O-N 2.85Å; G375-A377 VanDerWaalsContact C-N 3.34Å; G375-A377 PolarHBondContact O-N 3.36Å; A377-N380 WeakPolarHBondContact O-CA 3.45Å; A377-N380 PolarHBondContact O-N 2.97Å; A377-P384 HydrophobicContact CB-CG 4Å; A377-I410 HydrophobicContact CB-CG2 3.99Å
378T98.8Very high98.9Very high14 Ų1410.3 Ų10.39%0.0865%0.054CC..G310 helixtrans-56.6143.8-179.366.60000111.2D119 V120 M135 V374 G375 C376 N380 R381D119-T378 HydrophobicContact CB-CG2 4.11Å; V120-T378 HydrophobicContact CG1-CG2 3.72Å; M135-T378 HydrophobicContact CE-CG2 3.6Å; V374-T378 WeakPolarHBondContact O-CG2 3.32Å; V374-T378 PolarHBondContact O-N 3.44Å; G375-T378 PolarHBondContact O-N 3.37Å; G375-T378 PolarHBondContact O-OG1 3.12Å; C376-T378 VanDerWaalsContact C-N 3.34Å; T378-N380 PolarHBondContact O-N 3.06Å; T378-R381 WeakPolarHBondContact O-CG 3.29Å; T378-R381 PolarHBondContact O-N 3.04Å
379R98.4Very high98.9Very high45 Ų4511.1 Ų11.117%0.176%0.057CC..G310 helixtrans53.625-176.9-49.2-178.2-173.4-172.15.9113.6R64 N65 R70 D119 R381R64-R379 WeakPolarHBondContact O-CD 3.39Å; N65-R379 PolarHBondContact O-NH1 3.21Å; R70-R379 VanDerWaalsContact CZ-NH1 3.27Å; R70-R379 VanDerWaalsContact NE-CZ 3.32Å; D119-R379 WeakPolarHBondContact OD1-CG 3.34Å; D119-R379 IonicContact OD1-CZ 3.34Å; D119-R379 IonicContact OD1-NE 3.67Å; D119-R379 PolarHBondContact OD1-NE 3.36Å; D119-R379 IonicContact OD1-NH2 2.72Å; D119-R379 IonicContact OD2-CZ 3.89Å; D119-R379 IonicContact OD2-NE 3.74Å; D119-R379 PolarHBondContact OD2-NE 2.92Å; D119-R379 IonicContact OD2-NH2 3.1Å; D119-R379 PolarHBondContact OD2-NH2 3.46Å; R379-R381 HydrophobicContact CB-CG 4.39Å; R379-R381 PolarHBondContact O-N 3.23Å
380N98.4Very high98.9Very high90 Ų9011.1 Ų11.148%0.4816%0.057SC..G310 helixtrans55.131.1179.5-52.5-49.7000113.9A377 T378 T382A377-N380 WeakPolarHBondContact O-CA 3.45Å; A377-N380 PolarHBondContact O-N 2.97Å; T378-N380 PolarHBondContact O-N 3.06Å; N380-T382 VanDerWaalsContact C-N 3.34Å; N380-T382 PolarHBondContact O-N 3.47Å
381R98.6Very high98.9Very high21 Ų2111.5 Ų11.58%0.0796%0.06CC..  trans-67.2-36.1-177.6-58-45.7-67.4176.7-0.2112.4T138 D143 P294 V296 T378 R379T138-R381 HydrophobicContact CG2-CB 3.74Å; T138-R381 HydrophobicContact CG2-CG 4.14Å; D143-R381 IonicContact OD1-CZ 3.17Å; D143-R381 VanDerWaalsContact OD1-CZ 3.29Å; D143-R381 IonicContact OD1-NE 2.71Å; D143-R381 PolarHBondContact OD1-NE 3.38Å; D143-R381 IonicContact OD1-NH2 3.2Å; D143-R381 PolarHBondContact OD1-NH2 2.84Å; D143-R381 IonicContact OD2-CZ 3.95Å; D143-R381 IonicContact OD2-NE 2.87Å; D143-R381 PolarHBondContact OD2-NE 2.99Å; D143-R381 IonicContact OD2-NH2 3.23Å; P294-R381 PolarHBondContact O-NH1 2.89Å; P294-R381 PolarHBondContact O-NH2 3.25Å; V296-R381 VanDerWaalsContact CG2-CZ 3.48Å; T378-R381 WeakPolarHBondContact O-CG 3.29Å; T378-R381 PolarHBondContact O-N 3.04Å; R379-R381 HydrophobicContact CB-CG 4.39Å; R379-R381 PolarHBondContact O-N 3.23Å
382T98.9Very high98.9Very high10 Ų1013.6 Ų13.66%0.0617%0.069CC..  trans-139.1169.6-179.868.20000111.5F142 I336 C376 N380F142-T382 HydrophobicContact CD2-CG2 3.83Å; F142-T382 HydrophobicContact CE2-CG2 4.25Å; I336-T382 HydrophobicContact CD1-CG2 4.13Å; I336-T382 HydrophobicContact CG2-CG2 4.16Å; C376-T382 WeakPolarHBondContact CB-OG1 3.24Å; C376-T382 PolarHBondContact O-N 2.85Å; C376-T382 PolarHBondContact O-OG1 2.85Å; N380-T382 VanDerWaalsContact C-N 3.34Å; N380-T382 PolarHBondContact O-N 3.47Å
383V98.9Very high98.9Very high13 Ų1313.6 Ų13.68%0.0797%0.069CC..EExtended strand (participates in β ladder)trans-119.292.4170.3178.90000107.4I301 R334 I335 I336 F385 A462I301-V383 HydrophobicContact CD1-CB 4.39Å; I301-V383 HydrophobicContact CD1-CG2 4Å; R334-V383 HydrophobicContact CB-CG2 4.19Å; R334-V383 PolarHBondContact O-N 3.09Å; I335-V383 HydrophobicContact CD1-CB 4.07Å; I335-V383 HydrophobicContact CD1-CG1 3.95Å; I336-V383 PolarHBondContact N-O 3.22Å; V383-F385 HydrophobicContact CG1-CE2 4.1Å; V383-A462 HydrophobicContact CG1-CB 4.38Å
384P98.9Very high98.9Very high0 Ų016 Ų160%08%0.083CC..EExtended strand (participates in β ladder)trans-83.4143.5-17232.2-35.7000113I336 L338 A373 A377 I410 N411I336-P384 HydrophobicContact CD1-CB 4.09Å; I336-P384 HydrophobicContact CG1-CB 3.83Å; L338-P384 HydrophobicContact CD1-CB 3.73Å; A373-P384 HydrophobicContact CB-CB 3.91Å; A373-P384 HydrophobicContact CB-CG 4.09Å; A377-P384 HydrophobicContact CB-CG 4Å; P384-I410 HydrophobicContact CG-CB 4.22Å; P384-I410 HydrophobicContact CG-CG2 3.76Å; P384-N411 WeakPolarHBondContact O-CB 3.46Å; P384-N411 PolarHBondContact O-N 3.35Å; P384-N411 PolarHBondContact O-ND2 3.16Å
385F98.9Very high98.9Very high0 Ų022.3 Ų22.30%011%0.106CC..EExtended strand (participates in β ladder)trans-121.2110168-79.2-100.6000109.8Y321 L325 I335 I336 A337 L338 V383 N411 V458 A461 A462 I470Y321-F385 HydrophobicContact CE2-CD1 4.25Å; L325-F385 HydrophobicContact CD1-CB 3.89Å; L325-F385 HydrophobicContact CD1-CD1 4.02Å; L325-F385 HydrophobicContact CD1-CD2 3.76Å; L325-F385 HydrophobicContact CD1-CE2 4.29Å; L325-F385 HydrophobicContact CD1-CG 3.61Å; L325-F385 HydrophobicContact CD2-CB 4.12Å; I335-F385 HydrophobicContact CD1-CE2 4.07Å; I335-F385 HydrophobicContact CG2-CD2 4.3Å; I336-F385 PolarHBondContact O-N 3.07Å; A337-F385 CarbonylContact C-O 3.55Å; A337-F385 WeakPolarHBondContact CA-O 3.47Å; L338-F385 PolarHBondContact N-O 3.26Å; V383-F385 HydrophobicContact CG1-CE2 4.1Å; F385-N411 CarbonylContact C-O 3.59Å; F385-N411 VanDerWaalsContact CA-O 3.32Å; F385-N411 WeakPolarHBondContact CA-O 3.24Å; F385-N411 HydrophobicContact CB-CB 4.5Å; F385-N411 HydrophobicContact CD1-CB 3.39Å; F385-N411 HydrophobicContact CD2-CB 4.07Å; F385-N411 HydrophobicContact CE1-CB 3.42Å; F385-N411 VanDerWaalsContact CE1-CB 3.42Å; F385-N411 HydrophobicContact CE2-CB 4.08Å; F385-N411 WeakPolarHBondContact CE2-ND2 3.39Å; F385-N411 HydrophobicContact CG-CB 3.74Å; F385-N411 HydrophobicContact CZ-CB 3.78Å; F385-V458 HydrophobicContact CE1-CG1 4.24Å; F385-V458 HydrophobicContact CZ-CG1 4.35Å; F385-A461 HydrophobicContact CE1-CB 4.24Å; F385-A461 HydrophobicContact CZ-CB 4.3Å; F385-A462 HydrophobicContact CE2-CB 4.06Å; F385-A462 HydrophobicContact CZ-CB 3.93Å; F385-I470 HydrophobicContact CE1-CD1 4.35Å
386C98.9Very high98.9Very high0 Ų022.2 Ų22.20%011%0.106CC..EExtended strand (participates in β ladder)trans-91.2144.9171-49.90000110.8L338 M369 A373 F393 N411 L412 C413L338-C386 HydrophobicContact CB-CB 4.44Å; L338-C386 CarbonylContact O-C 3.53Å; L338-C386 VanDerWaalsContact O-CA 3.25Å; L338-C386 WeakPolarHBondContact O-CA 3.39Å; M369-C386 HydrophobicContact CE-CB 4.11Å; M369-C386 HydrophobicContact CG-CB 4.14Å; M369-C386 HydrophobicContact SD-CB 4.01Å; A373-C386 WeakPolarHBondContact CB-SG 3.3Å; C386-F393 HydrophobicContact CB-CE1 4.46Å; C386-F393 HydrophobicContact CB-CZ 4.41Å; C386-N411 PolarHBondContact N-O 3.23Å; C386-L412 HydrophobicContact CB-CD2 3.63Å; C386-L412 CarbonylContact O-C 3.59Å; C386-L412 WeakPolarHBondContact O-CA 3.23Å; C386-C413 PolarHBondContact O-N 3.44Å
387S98.9Very high98.9Very high0 Ų025.9 Ų25.90%012%0.121CC..EExtended strand (participates in β ladder)trans-136.9138.317351.40000113.3L338 D339 G340 S348 C413L338-S387 PolarHBondContact O-N 3.41Å; D339-S387 WeakPolarHBondContact CA-O 3.3Å; D339-S387 VanDerWaalsContact CG-O 3.23Å; D339-S387 PolarHBondContact OD2-OG 3.45Å; G340-S387 PolarHBondContact N-O 3.4Å; S348-S387 VanDerWaalsContact CB-OG 3.27Å; S348-S387 WeakPolarHBondContact CB-OG 3.5Å; S348-S387 PolarHBondContact OG-OG 2.63Å; S387-C413 VanDerWaalsContact CA-O 3.32Å; S387-C413 WeakPolarHBondContact CA-O 3.38Å
388T98.9Very high98.9Very high0 Ų028.2 Ų28.20%013%0.133CC..EExtended strand (participates in β ladder)trans-156-166.3165.9-177.20000108.1T342 E366 M369 F392 F393 C413 S415T342-T388 WeakPolarHBondContact OG1-CA 3.2Å; E366-T388 HydrophobicContact CG-CG2 4.1Å; M369-T388 HydrophobicContact CE-CG2 3.9Å; T388-F392 HydrophobicContact CG2-CB 4.33Å; T388-F393 HydrophobicContact CG2-CD1 3.9Å; T388-F393 HydrophobicContact CG2-CD2 4.01Å; T388-F393 HydrophobicContact CG2-CE1 3.74Å; T388-F393 HydrophobicContact CG2-CE2 3.85Å; T388-F393 HydrophobicContact CG2-CG 4.03Å; T388-F393 HydrophobicContact CG2-CZ 3.71Å; T388-C413 PolarHBondContact N-O 2.92Å; T388-S415 PolarHBondContact O-N 3.49Å; T388-S415 PolarHBondContact O-OG 2.85Å
389F98.9Very high98.9Very high17 Ų1727.9 Ų27.98%0.07513%0.131CC..EExtended strand (participates in β ladder)trans-71.7136.5168.5-7137.2000107.4T342 A391 F392 F393 S415 H416 Q428T342-F389 HydrophobicContact CG2-CD1 3.96Å; T342-F389 HydrophobicContact CG2-CE1 3.96Å; F389-A391 PolarHBondContact O-N 2.83Å; F389-A391 VanDerWaalsContact O-N 3.09Å; F389-F392 HydrophobicContact CB-CD2 3.72Å; F389-F392 HydrophobicContact CB-CE2 4.02Å; F389-F392 HydrophobicContact CB-CG 4.26Å; F389-F392 HydrophobicContact CD2-CE2 4.17Å; F389-F392 HydrophobicContact CG-CD2 4.17Å; F389-F392 HydrophobicContact CG-CE2 4.05Å; F389-F392 PolarHBondContact O-N 2.77Å; F389-F393 PolarHBondContact O-N 2.85Å; F389-S415 CarbonylContact C-O 3.56Å; F389-H416 HydrophobicContact CB-CB 4.28Å; F389-H416 AromaticContact CD1-ND1 3.72Å; F389-H416 HydrophobicContact CD2-CB 3.44Å; F389-H416 VanDerWaalsContact CD2-CB 3.44Å; F389-H416 AromaticContact CD2-CD2 3.94Å; F389-H416 AromaticContact CD2-CG 3.48Å; F389-H416 VanDerWaalsContact CD2-CG 3.48Å; F389-H416 AromaticContact CD2-ND1 3.9Å; F389-H416 AromaticContact CE1-CE1 3.6Å; F389-H416 AromaticContact CE1-ND1 3.58Å; F389-H416 HydrophobicContact CE2-CB 3.84Å; F389-H416 AromaticContact CE2-CD2 3.36Å; F389-H416 WeakPolarHBondContact CE2-CD2 3.39Å; F389-H416 AromaticContact CE2-CE1 3.97Å; F389-H416 AromaticContact CE2-CG 3.37Å; F389-H416 AromaticContact CE2-ND1 3.76Å; F389-H416 AromaticContact CE2-NE2 3.82Å; F389-H416 HydrophobicContact CG-CB 3.84Å; F389-H416 AromaticContact CG-CG 3.88Å; F389-H416 AromaticContact CG-ND1 3.88Å; F389-H416 AromaticContact CZ-CD2 3.61Å; F389-H416 AromaticContact CZ-CE1 3.46Å; F389-H416 VanDerWaalsContact CZ-CE1 3.46Å; F389-H416 WeakPolarHBondContact CZ-CE1 3.36Å; F389-H416 AromaticContact CZ-CG 3.69Å; F389-H416 AromaticContact CZ-ND1 3.59Å; F389-H416 AromaticContact CZ-NE2 3.53Å; F389-Q428 HydrophobicContact CD2-CB 4.05Å; F389-Q428 HydrophobicContact CD2-CG 4.02Å; F389-Q428 HydrophobicContact CE2-CB 4.17Å; F389-Q428 HydrophobicContact CE2-CG 3.9Å
390A98.9Very high98.9Very high0 Ų025.7 Ų25.70%012%0.123CC..G310 helixtrans-54.2-33.617900000111.8F392 F393 S415 A430 D433 F469A390-F392 VanDerWaalsContact C-N 3.27Å; A390-F392 PolarHBondContact O-N 3.05Å; A390-F393 PolarHBondContact O-N 2.96Å; A390-S415 WeakPolarHBondContact CB-O 3.23Å; A390-S415 PolarHBondContact N-O 2.95Å; A390-A430 HydrophobicContact CB-CB 3.29Å; A390-D433 HydrophobicContact CB-CB 4.09Å; A390-F469 HydrophobicContact CB-CZ 4.11Å
391A98.9Very high98.9Very high9 Ų926.2 Ų26.27%0.07412%0.118CC..G310 helixtrans-59-37.317500000112.3F389 T394 A430F389-A391 PolarHBondContact O-N 2.83Å; F389-A391 VanDerWaalsContact O-N 3.09Å; A391-T394 WeakPolarHBondContact O-CB 3.24Å; A391-T394 VanDerWaalsContact O-CG2 3.23Å; A391-T394 WeakPolarHBondContact O-CG2 3.26Å; A391-T394 PolarHBondContact O-N 3.21Å; A391-T394 PolarHBondContact O-OG1 3.43Å; A391-A430 HydrophobicContact CB-CB 4.11Å
392F98.9Very high98.9Very high51 Ų5125.6 Ų25.622%0.22412%0.116CC..G310 helixtrans-84.7-11.6-176.7-56.6-30.9000113.5E366 T388 F389 A390 T394 R395 S427 Q428E366-F392 HydrophobicContact CG-CB 4.12Å; T388-F392 HydrophobicContact CG2-CB 4.33Å; F389-F392 HydrophobicContact CB-CD2 3.72Å; F389-F392 HydrophobicContact CB-CE2 4.02Å; F389-F392 HydrophobicContact CB-CG 4.26Å; F389-F392 HydrophobicContact CD2-CE2 4.17Å; F389-F392 HydrophobicContact CG-CD2 4.17Å; F389-F392 HydrophobicContact CG-CE2 4.05Å; F389-F392 PolarHBondContact O-N 2.77Å; A390-F392 VanDerWaalsContact C-N 3.27Å; A390-F392 PolarHBondContact O-N 3.05Å; F392-T394 PolarHBondContact O-N 2.95Å; F392-R395 WeakPolarHBondContact O-CB 3.28Å; F392-R395 PolarHBondContact O-N 3.02Å; F392-S427 WeakPolarHBondContact CE1-O 3.28Å; F392-Q428 HydrophobicContact CZ-CG 4.17Å
393F98.9Very high98.9Very high0 Ų025.1 Ų25.10%011%0.113CC..G310 helixtrans-64.4-18.4165.2-77.3-56.2000112.9M369 V370 C386 T388 F389 A390 R395 A396 F397 I400 L412 C413 M436 F437 F469M369-F393 HydrophobicContact CE-CE1 3.85Å; M369-F393 HydrophobicContact CE-CZ 4.38Å; V370-F393 HydrophobicContact CG2-CD1 4.39Å; V370-F393 HydrophobicContact CG2-CE1 4.32Å; C386-F393 HydrophobicContact CB-CE1 4.46Å; C386-F393 HydrophobicContact CB-CZ 4.41Å; T388-F393 HydrophobicContact CG2-CD1 3.9Å; T388-F393 HydrophobicContact CG2-CD2 4.01Å; T388-F393 HydrophobicContact CG2-CE1 3.74Å; T388-F393 HydrophobicContact CG2-CE2 3.85Å; T388-F393 HydrophobicContact CG2-CG 4.03Å; T388-F393 HydrophobicContact CG2-CZ 3.71Å; F389-F393 PolarHBondContact O-N 2.85Å; A390-F393 PolarHBondContact O-N 2.96Å; F393-R395 PolarHBondContact O-N 2.76Å; F393-A396 CarbonylContact O-C 3.59Å; F393-A396 PolarHBondContact O-N 3.17Å; F393-F397 PolarHBondContact O-N 3.15Å; F393-I400 HydrophobicContact CB-CD1 4.12Å; F393-I400 HydrophobicContact CD1-CD1 4.23Å; F393-I400 HydrophobicContact CG-CD1 4.47Å; F393-L412 HydrophobicContact CE1-CB 4.43Å; F393-L412 HydrophobicContact CE1-CD2 3.99Å; F393-L412 HydrophobicContact CE2-CB 4.27Å; F393-L412 HydrophobicContact CZ-CB 4.01Å; F393-L412 HydrophobicContact CZ-CD2 4.2Å; F393-C413 WeakPolarHBondContact CE2-O 3.44Å; F393-M436 HydrophobicContact CB-CE 3.84Å; F393-F437 HydrophobicContact CB-CE2 4.19Å; F393-F437 HydrophobicContact CB-CZ 4.04Å; F393-F437 HydrophobicContact CD2-CE2 4.38Å; F393-F437 HydrophobicContact CD2-CZ 4.23Å; F393-F437 HydrophobicContact CG-CZ 4.14Å; F393-F469 HydrophobicContact CD2-CE2 4.32Å
394T98.9Very high98.9Very high50 Ų5025 Ų2531%0.30711%0.113SC..G310 helixtrans-59.5-31.8168.765.40000112.1A391 F392 A396 F397 E432 M436A391-T394 WeakPolarHBondContact O-CB 3.24Å; A391-T394 VanDerWaalsContact O-CG2 3.23Å; A391-T394 WeakPolarHBondContact O-CG2 3.26Å; A391-T394 PolarHBondContact O-N 3.21Å; A391-T394 PolarHBondContact O-OG1 3.43Å; F392-T394 PolarHBondContact O-N 2.95Å; T394-A396 PolarHBondContact O-N 3.04Å; T394-F397 PolarHBondContact O-N 2.99Å; T394-E432 HydrophobicContact CG2-CG 4Å; T394-M436 HydrophobicContact CG2-SD 4.26Å
395R98.9Very high98.9Very high141 Ų14128.3 Ų28.353%0.53213%0.13SC..G310 helixtrans-62.1-29.9173.8-174.267.385.2-91.9-4.4112E366 Q367 F392 F393E366-R395 HydrophobicContact CB-CB 4.27Å; E366-R395 HydrophobicContact CB-CG 4.43Å; Q367-R395 HydrophobicContact CG-CG 4.24Å; Q367-R395 WeakPolarHBondContact CG-O 3.44Å; F392-R395 WeakPolarHBondContact O-CB 3.28Å; F392-R395 PolarHBondContact O-N 3.02Å; F393-R395 PolarHBondContact O-N 2.76Å
396A98.9Very high98.9Very high0 Ų028.7 Ų28.70%013%0.133CC..G310 helixtrans-106.415.8-176.700000113.3E366 V370 F393 T394 D398 Q399 I400E366-A396 HydrophobicContact CB-CB 4.16Å; E366-A396 WeakPolarHBondContact O-CB 3.41Å; V370-A396 HydrophobicContact CB-CB 4.29Å; V370-A396 HydrophobicContact CG2-CB 3.67Å; F393-A396 CarbonylContact O-C 3.59Å; F393-A396 PolarHBondContact O-N 3.17Å; T394-A396 PolarHBondContact O-N 3.04Å; A396-D398 VanDerWaalsContact C-N 3.29Å; A396-D398 PolarHBondContact O-N 3.21Å; A396-Q399 PolarHBondContact O-N 3.01Å; A396-Q399 VanDerWaalsContact O-N 3.07Å; A396-Q399 PolarHBondContact O-OE1 2.69Å; A396-I400 HydrophobicContact CB-CD1 4.46Å; A396-I400 WeakPolarHBondContact O-CG1 3.28Å; A396-I400 PolarHBondContact O-N 3.39Å
397F98.9Very high98.9Very high76 Ų7633.9 Ų33.933%0.33316%0.157SC..Hα-helixtrans-61.8-37-170.8-176.3-151.3000112.5F393 T394 Q399 I400 R401 M436 S439 V440F393-F397 PolarHBondContact O-N 3.15Å; T394-F397 PolarHBondContact O-N 2.99Å; F397-Q399 VanDerWaalsContact C-N 3.35Å; F397-Q399 PolarHBondContact O-N 2.81Å; F397-I400 PolarHBondContact O-N 3.16Å; F397-R401 WeakPolarHBondContact O-CB 3.28Å; F397-R401 PolarHBondContact O-N 2.93Å; F397-M436 HydrophobicContact CB-CG 4.39Å; F397-M436 HydrophobicContact CB-SD 3.72Å; F397-M436 HydrophobicContact CD1-CG 3.99Å; F397-M436 HydrophobicContact CD1-SD 4.31Å; F397-M436 HydrophobicContact CD2-CG 3.26Å; F397-M436 HydrophobicContact CD2-SD 3.65Å; F397-M436 HydrophobicContact CE1-CG 4.06Å; F397-M436 HydrophobicContact CE2-CG 3.37Å; F397-M436 HydrophobicContact CE2-SD 4.37Å; F397-M436 HydrophobicContact CG-CG 3.62Å; F397-M436 HydrophobicContact CG-SD 3.64Å; F397-M436 HydrophobicContact CZ-CG 3.78Å; F397-S439 WeakPolarHBondContact CZ-OG 3.46Å; F397-V440 HydrophobicContact CE2-CG2 3.83Å
398D98.9Very high98.9Very high56 Ų5634.3 Ų34.330%0.29916%0.16SC..Hα-helixtrans-67.6-35176.8-168.639.6000112.4S124 Q127 A396 R401 M402S124-D398 VanDerWaalsContact CB-OD2 3.32Å; S124-D398 WeakPolarHBondContact CB-OD2 3.34Å; S124-D398 PolarHBondContact OG-OD2 2.69Å; Q127-D398 VanDerWaalsContact NE2-CG 3.3Å; Q127-D398 PolarHBondContact NE2-O 3.39Å; Q127-D398 PolarHBondContact NE2-OD2 3.2Å; A396-D398 VanDerWaalsContact C-N 3.29Å; A396-D398 PolarHBondContact O-N 3.21Å; D398-R401 PolarHBondContact O-N 3.2Å; D398-R401 IonicContact OD1-CZ 3.83Å; D398-R401 VanDerWaalsContact OD1-CZ 3.23Å; D398-R401 IonicContact OD1-NE 3.53Å; D398-R401 PolarHBondContact OD1-NE 3.17Å; D398-R401 IonicContact OD1-NH2 2.95Å; D398-R401 PolarHBondContact OD1-NH2 3.28Å; D398-M402 WeakPolarHBondContact O-CB 3.38Å; D398-M402 VanDerWaalsContact O-CG 3.3Å; D398-M402 WeakPolarHBondContact O-CG 3.28Å; D398-M402 PolarHBondContact O-N 2.73Å
399Q98.9Very high98.9Very high6 Ų636.6 Ų36.63%0.02817%0.173CC..Hα-helixtrans-67.6-39.1172.9-69.474.120.100111.5Q127 Q367 V370 S371 A396 F397 M402 A403Q127-Q399 HydrophobicContact CG-CG 4.22Å; Q367-Q399 HydrophobicContact CB-CG 4.4Å; V370-Q399 HydrophobicContact CB-CB 3.97Å; V370-Q399 HydrophobicContact CG1-CB 3.74Å; S371-Q399 WeakPolarHBondContact OG-CG 3.23Å; A396-Q399 PolarHBondContact O-N 3.01Å; A396-Q399 VanDerWaalsContact O-N 3.07Å; A396-Q399 PolarHBondContact O-OE1 2.69Å; F397-Q399 VanDerWaalsContact C-N 3.35Å; F397-Q399 PolarHBondContact O-N 2.81Å; Q399-M402 PolarHBondContact O-N 3.32Å; Q399-A403 VanDerWaalsContact O-CB 3.32Å; Q399-A403 WeakPolarHBondContact O-CB 3.32Å; Q399-A403 PolarHBondContact O-N 3.33Å
400I98.9Very high98.9Very high0 Ų035.8 Ų35.80%017%0.169CC..Hα-helixtrans-65.2-43175.2-64.4164.7000110.6V370 F393 A396 F397 A403 A404 L412 M436 F437 V440 I467V370-I400 HydrophobicContact CG1-CG1 3.99Å; V370-I400 HydrophobicContact CG2-CG1 4.18Å; F393-I400 HydrophobicContact CB-CD1 4.12Å; F393-I400 HydrophobicContact CD1-CD1 4.23Å; F393-I400 HydrophobicContact CG-CD1 4.47Å; A396-I400 HydrophobicContact CB-CD1 4.46Å; A396-I400 WeakPolarHBondContact O-CG1 3.28Å; A396-I400 PolarHBondContact O-N 3.39Å; F397-I400 PolarHBondContact O-N 3.16Å; I400-A403 WeakPolarHBondContact O-CB 3.46Å; I400-A403 PolarHBondContact O-N 3.3Å; I400-A404 PolarHBondContact O-N 3.34Å; I400-A404 VanDerWaalsContact O-N 3.17Å; I400-L412 HydrophobicContact CD1-CD1 4.06Å; I400-L412 HydrophobicContact CG1-CD1 3.9Å; I400-L412 HydrophobicContact CG2-CD1 4.33Å; I400-M436 HydrophobicContact CD1-CE 4.09Å; I400-F437 HydrophobicContact CD1-CE1 3.83Å; I400-F437 HydrophobicContact CD1-CZ 3.77Å; I400-F437 HydrophobicContact CG2-CD1 4.28Å; I400-F437 HydrophobicContact CG2-CE1 3.84Å; I400-V440 HydrophobicContact CG2-CG1 4.37Å; I400-V440 HydrophobicContact CG2-CG2 3.84Å; I400-I467 HydrophobicContact CG2-CG2 4.03Å
401R98.9Very high98.9Very high100 Ų10036 Ų3638%0.37717%0.17SC..Hα-helixtrans-60.2-47.2175-176-169.269.482.31111F397 D398 A403 A404 I405F397-R401 WeakPolarHBondContact O-CB 3.28Å; F397-R401 PolarHBondContact O-N 2.93Å; D398-R401 PolarHBondContact O-N 3.2Å; D398-R401 IonicContact OD1-CZ 3.83Å; D398-R401 VanDerWaalsContact OD1-CZ 3.23Å; D398-R401 IonicContact OD1-NE 3.53Å; D398-R401 PolarHBondContact OD1-NE 3.17Å; D398-R401 IonicContact OD1-NH2 2.95Å; D398-R401 PolarHBondContact OD1-NH2 3.28Å; R401-A403 VanDerWaalsContact C-N 3.32Å; R401-A404 WeakPolarHBondContact O-CB 3.45Å; R401-A404 PolarHBondContact O-N 2.81Å; R401-I405 HydrophobicContact CG-CD1 4.42Å; R401-I405 PolarHBondContact O-N 3.07Å; R401-I405 VanDerWaalsContact O-N 3.16Å
402M98.9Very high98.9Very high8 Ų835.6 Ų35.64%0.03917%0.167CC..Hα-helixtrans-69.9-27.5177.8-72.6-57.6-58.100112.8A121 D398 Q399 A404 I405 S406A121-M402 VanDerWaalsContact C-CE 3.45Å; A121-M402 HydrophobicContact CB-CE 3.66Å; A121-M402 WeakPolarHBondContact O-CE 3.43Å; D398-M402 WeakPolarHBondContact O-CB 3.38Å; D398-M402 VanDerWaalsContact O-CG 3.3Å; D398-M402 WeakPolarHBondContact O-CG 3.28Å; D398-M402 PolarHBondContact O-N 2.73Å; Q399-M402 PolarHBondContact O-N 3.32Å; M402-A404 VanDerWaalsContact C-N 3.35Å; M402-I405 HydrophobicContact CE-CG2 4.5Å; M402-I405 PolarHBondContact O-N 3.19Å; M402-I405 HydrophobicContact SD-CD1 3.71Å; M402-S406 VanDerWaalsContact O-CB 3.28Å; M402-S406 WeakPolarHBondContact O-CB 3.4Å; M402-S406 PolarHBondContact O-N 3.02Å; M402-S406 PolarHBondContact O-OG 3.28Å
403A98.9Very high98.9Very high1 Ų133.2 Ų33.21%0.00816%0.156CC..Hα-helixtrans-63.2-41.2171.300000111.5V374 Q399 I400 R401 S406 E407 S408 I410 I467V374-A403 HydrophobicContact CG2-CB 3.51Å; Q399-A403 VanDerWaalsContact O-CB 3.32Å; Q399-A403 WeakPolarHBondContact O-CB 3.32Å; Q399-A403 PolarHBondContact O-N 3.33Å; I400-A403 WeakPolarHBondContact O-CB 3.46Å; I400-A403 PolarHBondContact O-N 3.3Å; R401-A403 VanDerWaalsContact C-N 3.32Å; A403-S406 CarbonylContact O-C 3.58Å; A403-S406 WeakPolarHBondContact O-CA 3.41Å; A403-S406 WeakPolarHBondContact O-CB 3.5Å; A403-S406 PolarHBondContact O-N 3.24Å; A403-E407 PolarHBondContact O-N 3.02Å; A403-S408 VanDerWaalsContact O-CB 3.26Å; A403-S408 WeakPolarHBondContact O-CB 3.47Å; A403-S408 PolarHBondContact O-N 2.94Å; A403-I410 HydrophobicContact CB-CD1 3.87Å; A403-I467 HydrophobicContact CB-CD1 3.77Å
404A98.8Very high98.9Very high9 Ų933.2 Ų33.27%0.07416%0.156CC..Hα-helixtrans-63.9-44.1172.900000112.1I400 R401 M402 S406 E407 V440 I467I400-A404 PolarHBondContact O-N 3.34Å; I400-A404 VanDerWaalsContact O-N 3.17Å; R401-A404 WeakPolarHBondContact O-CB 3.45Å; R401-A404 PolarHBondContact O-N 2.81Å; M402-A404 VanDerWaalsContact C-N 3.35Å; A404-S406 PolarHBondContact O-N 3.32Å; A404-E407 PolarHBondContact O-N 3.19Å; A404-V440 HydrophobicContact CB-CG1 3.58Å; A404-I467 HydrophobicContact CB-CG1 4.04Å
405I98.8Very high98.9Very high70 Ų7030.8 Ų30.836%0.35914%0.141SC..Hα-helixtrans-64.1-28.3174.5-63.4165.6000111.3V112 P113 A121 R401 M402 E407V112-I405 HydrophobicContact CG1-CG2 4.16Å; P113-I405 WeakPolarHBondContact CD-O 3.25Å; A121-I405 HydrophobicContact CB-CB 4.41Å; A121-I405 HydrophobicContact CB-CG2 3.72Å; R401-I405 HydrophobicContact CG-CD1 4.42Å; R401-I405 PolarHBondContact O-N 3.07Å; R401-I405 VanDerWaalsContact O-N 3.16Å; M402-I405 HydrophobicContact CE-CG2 4.5Å; M402-I405 PolarHBondContact O-N 3.19Å; M402-I405 HydrophobicContact SD-CD1 3.71Å; I405-E407 PolarHBondContact O-N 3.42Å
406S98.8Very high98.9Very high9 Ų924.3 Ų24.36%0.06312%0.117CC..THydrogen-bonded Turntrans-81.86.8173-54.50000113.4P113 A121 M402 A403 A404 S408P113-S406 WeakPolarHBondContact CG-O 3.47Å; A121-S406 WeakPolarHBondContact CB-OG 3.45Å; A121-S406 PolarHBondContact N-OG 2.94Å; M402-S406 VanDerWaalsContact O-CB 3.28Å; M402-S406 WeakPolarHBondContact O-CB 3.4Å; M402-S406 PolarHBondContact O-N 3.02Å; M402-S406 PolarHBondContact O-OG 3.28Å; A403-S406 CarbonylContact O-C 3.58Å; A403-S406 WeakPolarHBondContact O-CA 3.41Å; A403-S406 WeakPolarHBondContact O-CB 3.5Å; A403-S406 PolarHBondContact O-N 3.24Å; A404-S406 PolarHBondContact O-N 3.32Å; S406-S408 PolarHBondContact O-N 3.25Å
407E98.7Very high98.8Very high109 Ų10924.3 Ų24.351%0.50912%0.117SC..THydrogen-bonded Turntrans50.232.5-178.5-58.7178.5173.200112.3P113 A403 A404 I405P113-E407 HydrophobicContact CG-CB 3.97Å; P113-E407 HydrophobicContact CG-CG 3.81Å; A403-E407 PolarHBondContact O-N 3.02Å; A404-E407 PolarHBondContact O-N 3.19Å; I405-E407 PolarHBondContact O-N 3.42Å
408S98.8Very high98.8Very high9 Ų920.7 Ų20.76%0.06310%0.101CC..  trans-75.2151.1-172.9-162.10000111.6A403 S406 G466A403-S408 VanDerWaalsContact O-CB 3.26Å; A403-S408 WeakPolarHBondContact O-CB 3.47Å; A403-S408 PolarHBondContact O-N 2.94Å; S406-S408 PolarHBondContact O-N 3.25Å; S408-G466 CarbonylContact O-C 3.58Å; S408-G466 WeakPolarHBondContact O-CA 3.28Å
409N98.8Very high98.8Very high48 Ų4818 Ų1826%0.2579%0.087SC..  trans-111.590.2175.5-55.5-64.3000108.5K465 G466N409-K465 VanDerWaalsContact OD1-CA 3.23Å; N409-K465 WeakPolarHBondContact OD1-CA 3.46Å; N409-K465 VanDerWaalsContact OD1-CB 3.3Å; N409-K465 WeakPolarHBondContact OD1-CB 3.35Å; N409-G466 WeakPolarHBondContact CA-O 3.43Å; N409-G466 PolarHBondContact OD1-N 3.07Å
410I98.9Very high98.8Very high0 Ų017.7 Ų17.70%09%0.085CC..EExtended strand (participates in β ladder)trans-129.2148-179.563.2173.9000110.6V370 A373 V374 A377 P384 A403 L412 G466 I467 C468V370-I410 HydrophobicContact CG1-CD1 4.08Å; A373-I410 HydrophobicContact CB-CG2 4.26Å; V374-I410 HydrophobicContact CG2-CD1 3.95Å; V374-I410 HydrophobicContact CG2-CG2 4.32Å; A377-I410 HydrophobicContact CB-CG2 3.99Å; P384-I410 HydrophobicContact CG-CB 4.22Å; P384-I410 HydrophobicContact CG-CG2 3.76Å; A403-I410 HydrophobicContact CB-CD1 3.87Å; I410-L412 HydrophobicContact CD1-CD1 4.33Å; I410-L412 HydrophobicContact CD1-CD2 4.25Å; I410-L412 HydrophobicContact CD1-CG 4.45Å; I410-G466 PolarHBondContact N-O 2.99Å; I410-I467 HydrophobicContact CD1-CD1 4.15Å; I410-I467 HydrophobicContact CG1-CD1 3.7Å; I410-C468 PolarHBondContact O-N 3.01Å
411N98.9Very high98.8Very high4 Ų417.7 Ų17.72%0.0219%0.085CC..EExtended strand (participates in β ladder)trans-112.6133.2179-51-81.4000109.5P384 F385 C386 A461 C468P384-N411 WeakPolarHBondContact O-CB 3.46Å; P384-N411 PolarHBondContact O-N 3.35Å; P384-N411 PolarHBondContact O-ND2 3.16Å; F385-N411 CarbonylContact C-O 3.59Å; F385-N411 VanDerWaalsContact CA-O 3.32Å; F385-N411 WeakPolarHBondContact CA-O 3.24Å; F385-N411 HydrophobicContact CB-CB 4.5Å; F385-N411 HydrophobicContact CD1-CB 3.39Å; F385-N411 HydrophobicContact CD2-CB 4.07Å; F385-N411 HydrophobicContact CE1-CB 3.42Å; F385-N411 VanDerWaalsContact CE1-CB 3.42Å; F385-N411 HydrophobicContact CE2-CB 4.08Å; F385-N411 WeakPolarHBondContact CE2-ND2 3.39Å; F385-N411 HydrophobicContact CG-CB 3.74Å; F385-N411 HydrophobicContact CZ-CB 3.78Å; C386-N411 PolarHBondContact N-O 3.23Å; N411-A461 WeakPolarHBondContact OD1-CB 3.3Å; N411-A461 PolarHBondContact OD1-O 3.19Å; N411-C468 CarbonylContact C-O 3.52Å; N411-C468 WeakPolarHBondContact CA-O 3.33Å; N411-C468 HydrophobicContact CB-CB 4.48Å; N411-C468 WeakPolarHBondContact OD1-CB 3.41Å
412L98.9Very high98.8Very high1 Ų113 Ų131%0.0057%0.068CC..EExtended strand (participates in β ladder)trans-127.8114.1-174.1-57.7174.1000108.5V370 C386 F393 I400 I410 F437 I467 C468 F469 I470V370-L412 HydrophobicContact CG2-CD2 4.39Å; C386-L412 HydrophobicContact CB-CD2 3.63Å; C386-L412 CarbonylContact O-C 3.59Å; C386-L412 WeakPolarHBondContact O-CA 3.23Å; F393-L412 HydrophobicContact CE1-CB 4.43Å; F393-L412 HydrophobicContact CE1-CD2 3.99Å; F393-L412 HydrophobicContact CE2-CB 4.27Å; F393-L412 HydrophobicContact CZ-CB 4.01Å; F393-L412 HydrophobicContact CZ-CD2 4.2Å; I400-L412 HydrophobicContact CD1-CD1 4.06Å; I400-L412 HydrophobicContact CG1-CD1 3.9Å; I400-L412 HydrophobicContact CG2-CD1 4.33Å; I410-L412 HydrophobicContact CD1-CD1 4.33Å; I410-L412 HydrophobicContact CD1-CD2 4.25Å; I410-L412 HydrophobicContact CD1-CG 4.45Å; L412-F437 HydrophobicContact CB-CZ 4.4Å; L412-F437 HydrophobicContact CD1-CE1 3.57Å; L412-F437 HydrophobicContact CD1-CZ 3.96Å; L412-I467 HydrophobicContact CD1-CG2 4.04Å; L412-C468 PolarHBondContact N-O 2.74Å; L412-F469 HydrophobicContact CB-CD2 4.31Å; L412-F469 CarbonylContact O-C 3.55Å; L412-F469 VanDerWaalsContact O-CA 3.28Å; L412-F469 WeakPolarHBondContact O-CA 3.39Å; L412-F469 VanDerWaalsContact O-CD2 3.24Å; L412-F469 WeakPolarHBondContact O-CD2 3.34Å; L412-I470 PolarHBondContact O-N 2.88Å
413C98.9Very high98.7Very high0 Ų017.1 Ų17.10%09%0.087CC..EExtended strand (participates in β ladder)trans-102109.6174.8-178.40000110Y321 C386 S387 T388 F393 I470Y321-C413 HydrophobicContact CD1-CB 4.21Å; Y321-C413 WeakPolarHBondContact CD1-SG 3.48Å; Y321-C413 HydrophobicContact CD2-CB 3.87Å; Y321-C413 VanDerWaalsContact CD2-SG 3.5Å; Y321-C413 HydrophobicContact CE1-CB 3.74Å; Y321-C413 HydrophobicContact CE2-CB 3.37Å; Y321-C413 HydrophobicContact CG-CB 4.26Å; C386-C413 PolarHBondContact O-N 3.44Å; S387-C413 VanDerWaalsContact CA-O 3.32Å; S387-C413 WeakPolarHBondContact CA-O 3.38Å; T388-C413 PolarHBondContact N-O 2.92Å; F393-C413 WeakPolarHBondContact CE2-O 3.44Å; C413-I470 CarbonylContact C-O 3.58Å; C413-I470 WeakPolarHBondContact CA-O 3.16Å
414G98.9Very high98.7Very high0 Ų021.2 Ų21.20%011%0.109CC..EExtended strand (participates in β ladder)trans-99.5113.4177.100000110.3I470 T472G414-I470 PolarHBondContact N-O 3.42Å; G414-T472 PolarHBondContact O-N 3.35Å; G414-T472 PolarHBondContact O-OG1 3.3Å
415S98.8Very high98.6Very high0 Ų020.8 Ų20.80%011%0.105CC..EExtended strand (participates in β ladder)trans-86.9-178.5176.669.30000112.5T388 F389 A390 C417 T472T388-S415 PolarHBondContact O-N 3.49Å; T388-S415 PolarHBondContact O-OG 2.85Å; F389-S415 CarbonylContact C-O 3.56Å; A390-S415 WeakPolarHBondContact CB-O 3.23Å; A390-S415 PolarHBondContact N-O 2.95Å; S415-C417 PolarHBondContact O-N 3.46Å; S415-T472 CarbonylContact C-O 3.56Å; S415-T472 WeakPolarHBondContact CA-O 3.32Å; S415-T472 VanDerWaalsContact CA-OG1 3.23Å; S415-T472 WeakPolarHBondContact CA-OG1 3.27Å; S415-T472 WeakPolarHBondContact CB-OG1 3.35Å
416H98.8Very high98.6Very high4 Ų420 Ų202%0.01910%0.104CC..SBendtrans57.338.1170.8-64.775.1000113.4R318 F389 I421 T472R318-H416 PolarHBondContact NH1-CE1 3.34Å; R318-H416 PolarHBondContact NH1-NE2 2.83Å; F389-H416 HydrophobicContact CB-CB 4.28Å; F389-H416 AromaticContact CD1-ND1 3.72Å; F389-H416 HydrophobicContact CD2-CB 3.44Å; F389-H416 VanDerWaalsContact CD2-CB 3.44Å; F389-H416 AromaticContact CD2-CD2 3.94Å; F389-H416 AromaticContact CD2-CG 3.48Å; F389-H416 VanDerWaalsContact CD2-CG 3.48Å; F389-H416 AromaticContact CD2-ND1 3.9Å; F389-H416 AromaticContact CE1-CE1 3.6Å; F389-H416 AromaticContact CE1-ND1 3.58Å; F389-H416 HydrophobicContact CE2-CB 3.84Å; F389-H416 AromaticContact CE2-CD2 3.36Å; F389-H416 WeakPolarHBondContact CE2-CD2 3.39Å; F389-H416 AromaticContact CE2-CE1 3.97Å; F389-H416 AromaticContact CE2-CG 3.37Å; F389-H416 AromaticContact CE2-ND1 3.76Å; F389-H416 AromaticContact CE2-NE2 3.82Å; F389-H416 HydrophobicContact CG-CB 3.84Å; F389-H416 AromaticContact CG-CG 3.88Å; F389-H416 AromaticContact CG-ND1 3.88Å; F389-H416 AromaticContact CZ-CD2 3.61Å; F389-H416 AromaticContact CZ-CE1 3.46Å; F389-H416 VanDerWaalsContact CZ-CE1 3.46Å; F389-H416 WeakPolarHBondContact CZ-CE1 3.36Å; F389-H416 AromaticContact CZ-CG 3.69Å; F389-H416 AromaticContact CZ-ND1 3.59Å; F389-H416 AromaticContact CZ-NE2 3.53Å; H416-I421 VanDerWaalsContact C-CG2 3.44Å; H416-I421 HydrophobicContact CB-CG2 3.76Å; H416-I421 VanDerWaalsContact O-CG2 3.3Å; H416-I421 WeakPolarHBondContact O-CG2 3.38Å; H416-T472 PolarHBondContact N-O 2.84Å
417C98.5Very high98.6Very high0 Ų023.3 Ų23.30%013%0.128CC..BIsolated β-bridgetrans-72.7142178.875.10000112.4S415 S420 A430 R471 T472 S473S415-C417 PolarHBondContact O-N 3.46Å; C417-S420 PolarHBondContact O-OG 3.35Å; C417-A430 HydrophobicContact CB-CB 4.48Å; C417-R471 HydrophobicContact CB-CG 3.6Å; C417-T472 PolarHBondContact N-O 3.15Å; C417-T472 PolarHBondContact SG-O 3.15Å; C417-S473 PolarHBondContact SG-OG 3.11Å
418G98.9Very high98.6Very high0 Ų020.4 Ų20.40%011%0.114CC..SBendtrans72.3-179.117000000116.5S420 M429 A430 D561G418-S420 PolarHBondContact O-N 2.81Å; G418-M429 WeakPolarHBondContact O-CG 3.38Å; G418-A430 WeakPolarHBondContact CA-O 3.36Å; G418-A430 PolarHBondContact N-O 3.01Å; G418-D561 VanDerWaalsContact CA-OD1 3.23Å; G418-D561 WeakPolarHBondContact CA-OD1 3.48Å; G418-D561 WeakPolarHBondContact CA-OD2 3.47Å
419V98.9Very high98.6Very high0 Ų020.1 Ų20.10%011%0.112CC..G310 helixtrans-69.9-19.1178.9-50.40000112.6I421 G422 M429 L431 D561 V589 P593 L601 L602 F605 I607V419-I421 PolarHBondContact O-N 3.13Å; V419-G422 PolarHBondContact O-N 3.35Å; V419-M429 HydrophobicContact CB-CE 4.37Å; V419-M429 HydrophobicContact CB-SD 4.11Å; V419-M429 HydrophobicContact CG1-SD 4.02Å; V419-L431 HydrophobicContact CG1-CD1 4.27Å; V419-L431 HydrophobicContact CG1-CD2 4.32Å; V419-D561 WeakPolarHBondContact CG2-OD1 3.49Å; V419-D561 VanDerWaalsContact N-CG 3.3Å; V419-D561 PolarHBondContact N-OD1 2.88Å; V419-D561 PolarHBondContact N-OD2 3.3Å; V419-D561 VanDerWaalsContact N-OD2 3.16Å; V419-V589 HydrophobicContact CG1-CG1 4.31Å; V419-V589 HydrophobicContact CG1-CG2 3.97Å; V419-P593 HydrophobicContact CG1-CB 3.88Å; V419-P593 HydrophobicContact CG1-CG 3.52Å; V419-L601 HydrophobicContact CB-CB 3.99Å; V419-L601 HydrophobicContact CB-CD1 4.38Å; V419-L601 HydrophobicContact CG2-CB 3.81Å; V419-L601 WeakPolarHBondContact O-CD1 3.37Å; V419-L602 HydrophobicContact CG2-CD2 4.04Å; V419-F605 HydrophobicContact CB-CD2 4.34Å; V419-F605 HydrophobicContact CG1-CD2 3.96Å; V419-F605 HydrophobicContact CG1-CE2 4.41Å; V419-F605 HydrophobicContact CG2-CD2 4.27Å; V419-I607 HydrophobicContact CG2-CD1 4.22Å
420S98.8Very high98.6Very high0 Ų017.9 Ų17.90%010%0.1CC..G310 helixtrans-63.2-5.7179.163.40000114.7C417 G418 G422 P475 D561 P598C417-S420 PolarHBondContact O-OG 3.35Å; G418-S420 PolarHBondContact O-N 2.81Å; S420-G422 VanDerWaalsContact C-N 3.25Å; S420-G422 PolarHBondContact O-N 2.85Å; S420-P475 VanDerWaalsContact O-CG 3.24Å; S420-P475 WeakPolarHBondContact O-CG 3.34Å; S420-D561 VanDerWaalsContact CB-OD2 3.23Å; S420-D561 WeakPolarHBondContact CB-OD2 3.45Å; S420-D561 PolarHBondContact N-OD2 3.39Å; S420-D561 PolarHBondContact OG-OD2 2.9Å; S420-P598 WeakPolarHBondContact O-CB 3.45Å; S420-P598 WeakPolarHBondContact O-CG 3.39Å
421I98.3Very high98.6Very high0 Ų017.9 Ų17.90%010%0.1CC..G310 helixtrans-65.3-31.1168.873.6174.5000112.4H416 V419 D424 Q428 M429 R474H416-I421 VanDerWaalsContact C-CG2 3.44Å; H416-I421 HydrophobicContact CB-CG2 3.76Å; H416-I421 VanDerWaalsContact O-CG2 3.3Å; H416-I421 WeakPolarHBondContact O-CG2 3.38Å; V419-I421 PolarHBondContact O-N 3.13Å; I421-D424 HydrophobicContact CD1-CB 4.24Å; I421-Q428 HydrophobicContact CD1-CB 3.48Å; I421-Q428 VanDerWaalsContact CD1-CB 3.48Å; I421-M429 HydrophobicContact CD1-CB 4.34Å; I421-M429 HydrophobicContact CD1-CE 4.33Å; I421-M429 HydrophobicContact CD1-CG 3.46Å; I421-M429 VanDerWaalsContact CD1-CG 3.46Å; I421-M429 HydrophobicContact CG1-CE 3.87Å; I421-M429 HydrophobicContact CG1-CG 3.69Å; I421-R474 HydrophobicContact CB-CB 4.41Å; I421-R474 HydrophobicContact CG2-CB 4.08Å; I421-R474 WeakPolarHBondContact O-CD 3.45Å; I421-R474 PolarHBondContact O-NH1 2.95Å
422G98.6Very high98.6Very high0 Ų021.6 Ų21.60%012%0.117CC..  trans89.2-115.4177.900000114.5V419 S420 D424 G425 M429 G596V419-G422 PolarHBondContact O-N 3.35Å; S420-G422 VanDerWaalsContact C-N 3.25Å; S420-G422 PolarHBondContact O-N 2.85Å; G422-D424 PolarHBondContact O-N 3.5Å; G422-G425 PolarHBondContact O-N 3.13Å; G422-M429 WeakPolarHBondContact O-CE 3.25Å; G422-G596 CarbonylContact C-O 3.21Å; G422-G596 WeakPolarHBondContact CA-O 3.35Å
423E98.1Very high98.6Very high96 Ų9621.6 Ų21.645%0.44912%0.117SC..THydrogen-bonded Turntrans-73.3-25.5-154.2-6682.7175.500114.8G425 R474 S595 G596E423-G425 PolarHBondContact O-N 3.46Å; E423-R474 IonicContact OE2-NH1 2.61Å; E423-S595 WeakPolarHBondContact O-CB 3.17Å; E423-S595 PolarHBondContact O-OG 3.49Å; E423-G596 PolarHBondContact N-O 2.7Å
424D97.3Very high98.6Very high86 Ų8621.6 Ų21.646%0.4612%0.117SC..THydrogen-bonded Turntrans-64.2-23.4-179.4-68.7-18.2000112.7I421 G422 Q428I421-D424 HydrophobicContact CD1-CB 4.24Å; G422-D424 PolarHBondContact O-N 3.5Å; D424-Q428 HydrophobicContact CB-CB 4.12Å; D424-Q428 HydrophobicContact CB-CG 4.14Å; D424-Q428 PolarHBondContact O-OE1 3.13Å
425G98.4Very high98.6Very high0 Ų022.9 Ų22.90%013%0.128CC..  trans78.2-172176.600000114G422 E423 S427 Q428 M429 S595G422-G425 PolarHBondContact O-N 3.13Å; E423-G425 PolarHBondContact O-N 3.46Å; G425-S427 VanDerWaalsContact C-N 3.27Å; G425-S427 PolarHBondContact O-N 2.8Å; G425-S427 VanDerWaalsContact O-N 3.14Å; G425-Q428 PolarHBondContact O-N 2.93Å; G425-M429 WeakPolarHBondContact O-CG 3.11Å; G425-S595 WeakPolarHBondContact CA-OG 3.35Å
426P98.3Very high98.6Very high53 Ų5323.5 Ų23.534%0.34413%0.131SC..THydrogen-bonded Turntrans-67.5-19.1-16126.8-36.8000115Q428 M429 V592 P593P426-Q428 PolarHBondContact O-N 2.69Å; P426-M429 HydrophobicContact CB-SD 4.5Å; P426-M429 PolarHBondContact O-N 2.85Å; P426-V592 HydrophobicContact CB-CG1 3.81Å; P426-V592 HydrophobicContact CG-CG1 4.05Å; P426-P593 HydrophobicContact CB-CB 4.39Å; P426-P593 HydrophobicContact CB-CG 4.5Å
427S98.3Very high98.6Very high80 Ų8023.3 Ų23.356%0.55913%0.13SC*.THydrogen-bonded Turntrans-65-23.4177.436.60000113.8F392 G425F392-S427 WeakPolarHBondContact CE1-O 3.28Å; G425-S427 VanDerWaalsContact C-N 3.27Å; G425-S427 PolarHBondContact O-N 2.8Å; G425-S427 VanDerWaalsContact O-N 3.14Å
428Q98.5Very high98.6Very high47 Ų4726.3 Ų26.322%0.2214%0.141CC..THydrogen-bonded Turntrans-106.6-9.7-179.8-77.270.522.600112.3F389 F392 I421 D424 G425 P426 A430F389-Q428 HydrophobicContact CD2-CB 4.05Å; F389-Q428 HydrophobicContact CD2-CG 4.02Å; F389-Q428 HydrophobicContact CE2-CB 4.17Å; F389-Q428 HydrophobicContact CE2-CG 3.9Å; F392-Q428 HydrophobicContact CZ-CG 4.17Å; I421-Q428 HydrophobicContact CD1-CB 3.48Å; I421-Q428 VanDerWaalsContact CD1-CB 3.48Å; D424-Q428 HydrophobicContact CB-CB 4.12Å; D424-Q428 HydrophobicContact CB-CG 4.14Å; D424-Q428 PolarHBondContact O-OE1 3.13Å; G425-Q428 PolarHBondContact O-N 2.93Å; P426-Q428 PolarHBondContact O-N 2.69Å; Q428-A430 PolarHBondContact O-N 3.19Å
429M98.8Very high98.6Very high4 Ų429.9 Ų29.92%0.0217%0.166CC..  trans-82111-175.7-67.1172.3179.100110.1G418 V419 I421 G422 G425 P426 L431 P593 L601G418-M429 WeakPolarHBondContact O-CG 3.38Å; V419-M429 HydrophobicContact CB-CE 4.37Å; V419-M429 HydrophobicContact CB-SD 4.11Å; V419-M429 HydrophobicContact CG1-SD 4.02Å; I421-M429 HydrophobicContact CD1-CB 4.34Å; I421-M429 HydrophobicContact CD1-CE 4.33Å; I421-M429 HydrophobicContact CD1-CG 3.46Å; I421-M429 VanDerWaalsContact CD1-CG 3.46Å; I421-M429 HydrophobicContact CG1-CE 3.87Å; I421-M429 HydrophobicContact CG1-CG 3.69Å; G422-M429 WeakPolarHBondContact O-CE 3.25Å; G425-M429 WeakPolarHBondContact O-CG 3.11Å; P426-M429 HydrophobicContact CB-SD 4.5Å; P426-M429 PolarHBondContact O-N 2.85Å; M429-L431 HydrophobicContact CB-CD1 4.23Å; M429-L431 HydrophobicContact CB-CG 4.27Å; M429-L431 PolarHBondContact O-N 2.8Å; M429-P593 HydrophobicContact SD-CB 3.5Å; M429-P593 WeakPolarHBondContact SD-CB 3.15Å; M429-P593 HydrophobicContact SD-CG 3.68Å; M429-L601 HydrophobicContact CE-CD1 3.63Å
430A98.9Very high98.6Very high0 Ų030 Ų300%017%0.167CC..BIsolated β-bridgetrans-76109.9172.600000109.8A390 A391 C417 G418 Q428 D433 R471A390-A430 HydrophobicContact CB-CB 3.29Å; A391-A430 HydrophobicContact CB-CB 4.11Å; C417-A430 HydrophobicContact CB-CB 4.48Å; G418-A430 WeakPolarHBondContact CA-O 3.36Å; G418-A430 PolarHBondContact N-O 3.01Å; Q428-A430 PolarHBondContact O-N 3.19Å; A430-D433 HydrophobicContact CB-CB 4.04Å; A430-R471 PolarHBondContact O-NH2 2.79Å
431L98.9Very high98.5Very high1 Ų134.1 Ų34.11%0.00519%0.194CC..SBendtrans-125-1.3-177.9-71.1172.8000113.4V419 M429 H562 Y563 V589 P593V419-L431 HydrophobicContact CG1-CD1 4.27Å; V419-L431 HydrophobicContact CG1-CD2 4.32Å; M429-L431 HydrophobicContact CB-CD1 4.23Å; M429-L431 HydrophobicContact CB-CG 4.27Å; M429-L431 PolarHBondContact O-N 2.8Å; L431-H562 VanDerWaalsContact C-CD2 3.41Å; L431-H562 PolarHBondContact O-CD2 2.88Å; L431-H562 PolarHBondContact O-CE1 3.04Å; L431-H562 VanDerWaalsContact O-CG 3.22Å; L431-H562 PolarHBondContact O-ND1 3.05Å; L431-H562 PolarHBondContact O-NE2 3.41Å; L431-H562 VanDerWaalsContact O-NE2 3.07Å; L431-Y563 HydrophobicContact CB-CD1 4.18Å; L431-Y563 HydrophobicContact CB-CD2 3.51Å; L431-Y563 HydrophobicContact CB-CE1 4.06Å; L431-Y563 HydrophobicContact CB-CE2 3.37Å; L431-Y563 HydrophobicContact CB-CG 3.91Å; L431-Y563 HydrophobicContact CD1-CD1 4.42Å; L431-Y563 HydrophobicContact CD1-CE1 3.76Å; L431-Y563 HydrophobicContact CD1-CE2 4.29Å; L431-Y563 HydrophobicContact CG-CE2 4.49Å; L431-Y563 WeakPolarHBondContact O-CB 3.26Å; L431-Y563 WeakPolarHBondContact O-CD2 3.36Å; L431-Y563 PolarHBondContact O-N 3.46Å; L431-V589 HydrophobicContact CD1-CG1 4.09Å; L431-V589 HydrophobicContact CD2-CB 4.22Å; L431-V589 HydrophobicContact CD2-CG1 4.5Å; L431-V589 HydrophobicContact CD2-CG2 3.88Å; L431-P593 HydrophobicContact CD1-CG 3.29Å
432E98.9Very high98.3Very high81 Ų8138.9 Ų38.938%0.37922%0.217SC..SBendtrans-125.14.5176.961-94.3-132.600112.5T394 A435 M436 H562 Y563T394-E432 HydrophobicContact CG2-CG 4Å; E432-A435 WeakPolarHBondContact O-CB 3.02Å; E432-A435 PolarHBondContact O-N 2.79Å; E432-M436 WeakPolarHBondContact O-CB 3.33Å; E432-M436 PolarHBondContact O-N 3.34Å; E432-H562 VanDerWaalsContact C-NE2 3.29Å; E432-H562 VanDerWaalsContact CA-NE2 3.28Å; E432-H562 WeakPolarHBondContact CA-NE2 3.23Å; E432-Y563 HydrophobicContact CB-CD2 4.44Å
433D98.9Very high98.3Very high1 Ų139.1 Ų39.11%0.00522%0.219CC..Hα-helixtrans-68.8-37.2-174.163.7-56000112.6A390 A430 M436 F437 F469 R471 H562A390-D433 HydrophobicContact CB-CB 4.09Å; A430-D433 HydrophobicContact CB-CB 4.04Å; D433-M436 PolarHBondContact O-N 3.04Å; D433-F437 VanDerWaalsContact O-CD2 3.25Å; D433-F437 WeakPolarHBondContact O-CD2 3.29Å; D433-F437 PolarHBondContact O-N 3.14Å; D433-F469 HydrophobicContact CB-CE1 4.43Å; D433-F469 HydrophobicContact CB-CZ 4.26Å; D433-F469 WeakPolarHBondContact OD2-CE1 3.49Å; D433-F469 WeakPolarHBondContact OD2-CZ 3.23Å; D433-R471 VanDerWaalsContact CG-NE 3.35Å; D433-R471 IonicContact OD1-CZ 2.76Å; D433-R471 IonicContact OD1-NE 4Å; D433-R471 PolarHBondContact OD1-NE 3.14Å; D433-R471 VanDerWaalsContact OD1-NE 3.17Å; D433-R471 IonicContact OD1-NH2 3.09Å; D433-R471 PolarHBondContact OD1-NH2 3.41Å; D433-R471 VanDerWaalsContact OD2-CD 3.28Å; D433-R471 WeakPolarHBondContact OD2-CD 3.41Å; D433-R471 WeakPolarHBondContact OD2-CG 3.47Å; D433-R471 IonicContact OD2-CZ 3.82Å; D433-R471 IonicContact OD2-NE 2.77Å; D433-R471 PolarHBondContact OD2-NE 3.27Å; D433-R471 IonicContact OD2-NH2 2.62Å; D433-H562 PolarHBondContact N-NE2 3.05Å; D433-H562 IonicContact OD1-CD2 2.74Å
434L98.9Very high98.3Very high0 Ų035.2 Ų35.20%020%0.202CC..Hα-helixtrans-65.4-43.3173.3-63177.7000110.6R438 V445 I537 H562 I568L434-R438 WeakPolarHBondContact O-CB 3.31Å; L434-R438 WeakPolarHBondContact O-CG 3.43Å; L434-R438 PolarHBondContact O-N 3.4Å; L434-V445 HydrophobicContact CD2-CG1 3.75Å; L434-I537 HydrophobicContact CD2-CG1 4.14Å; L434-H562 WeakPolarHBondContact CB-NE2 3.29Å; L434-H562 HydrophobicContact CD1-CB 4.25Å; L434-H562 PolarHBondContact N-NE2 2.74Å; L434-H562 VanDerWaalsContact N-NE2 3.19Å; L434-I568 HydrophobicContact CD1-CD1 4.36Å; L434-I568 HydrophobicContact CD1-CG1 3.8Å
435A98.9Very high98.4Very high27 Ų2731.1 Ų31.122%0.22318%0.18CC..Hα-helixtrans-59.4-49.4176.400000111.3E432 R438 S439 H562 G566E432-A435 WeakPolarHBondContact O-CB 3.02Å; E432-A435 PolarHBondContact O-N 2.79Å; A435-R438 PolarHBondContact O-N 3.44Å; A435-S439 WeakPolarHBondContact O-CB 3.46Å; A435-S439 PolarHBondContact O-N 3.01Å; A435-H562 PolarHBondContact N-NE2 3.1Å; A435-G566 WeakPolarHBondContact CA-O 3.29Å; A435-G566 PolarHBondContact N-O 3.22Å
436M98.9Very high98.4Very high13 Ų1331.1 Ų31.16%0.06418%0.18CC..Hα-helixtrans-56.2-58.6177.9-173.3-17674.900110.9F393 T394 F397 I400 E432 D433 R438 S439 V440F393-M436 HydrophobicContact CB-CE 3.84Å; T394-M436 HydrophobicContact CG2-SD 4.26Å; F397-M436 HydrophobicContact CB-CG 4.39Å; F397-M436 HydrophobicContact CB-SD 3.72Å; F397-M436 HydrophobicContact CD1-CG 3.99Å; F397-M436 HydrophobicContact CD1-SD 4.31Å; F397-M436 HydrophobicContact CD2-CG 3.26Å; F397-M436 HydrophobicContact CD2-SD 3.65Å; F397-M436 HydrophobicContact CE1-CG 4.06Å; F397-M436 HydrophobicContact CE2-CG 3.37Å; F397-M436 HydrophobicContact CE2-SD 4.37Å; F397-M436 HydrophobicContact CG-CG 3.62Å; F397-M436 HydrophobicContact CG-SD 3.64Å; F397-M436 HydrophobicContact CZ-CG 3.78Å; I400-M436 HydrophobicContact CD1-CE 4.09Å; E432-M436 WeakPolarHBondContact O-CB 3.33Å; E432-M436 PolarHBondContact O-N 3.34Å; D433-M436 PolarHBondContact O-N 3.04Å; M436-R438 PolarHBondContact O-N 3.07Å; M436-S439 WeakPolarHBondContact O-CB 3.42Å; M436-S439 PolarHBondContact O-N 3.4Å; M436-S439 VanDerWaalsContact O-N 3.17Å; M436-S439 PolarHBondContact O-OG 3.04Å; M436-V440 PolarHBondContact O-N 3.35Å
437F98.9Very high98.5Very high0 Ų028.6 Ų28.60%016%0.163CC..Hα-helixtrans-70.4-29.6-175.5-77.4-70.6000113.3F393 I400 L412 D433 S439 V440 S443 V445 I467 F469F393-F437 HydrophobicContact CB-CE2 4.19Å; F393-F437 HydrophobicContact CB-CZ 4.04Å; F393-F437 HydrophobicContact CD2-CE2 4.38Å; F393-F437 HydrophobicContact CD2-CZ 4.23Å; F393-F437 HydrophobicContact CG-CZ 4.14Å; I400-F437 HydrophobicContact CD1-CE1 3.83Å; I400-F437 HydrophobicContact CD1-CZ 3.77Å; I400-F437 HydrophobicContact CG2-CD1 4.28Å; I400-F437 HydrophobicContact CG2-CE1 3.84Å; L412-F437 HydrophobicContact CB-CZ 4.4Å; L412-F437 HydrophobicContact CD1-CE1 3.57Å; L412-F437 HydrophobicContact CD1-CZ 3.96Å; D433-F437 VanDerWaalsContact O-CD2 3.25Å; D433-F437 WeakPolarHBondContact O-CD2 3.29Å; D433-F437 PolarHBondContact O-N 3.14Å; F437-S439 VanDerWaalsContact C-N 3.31Å; F437-S439 PolarHBondContact O-N 3.48Å; F437-V440 PolarHBondContact O-N 3.13Å; F437-S443 VanDerWaalsContact O-CB 3.28Å; F437-S443 WeakPolarHBondContact O-CB 3.46Å; F437-S443 PolarHBondContact O-OG 3.01Å; F437-V445 HydrophobicContact CB-CG2 3.91Å; F437-I467 HydrophobicContact CD1-CG2 4.47Å; F437-I467 HydrophobicContact CE1-CG2 4.45Å; F437-F469 HydrophobicContact CB-CB 4.1Å; F437-F469 HydrophobicContact CB-CD1 3.89Å; F437-F469 HydrophobicContact CB-CG 4.14Å; F437-F469 HydrophobicContact CD1-CB 3.73Å; F437-F469 HydrophobicContact CD1-CD2 4.33Å; F437-F469 AromaticContact CD1-CG 3.97Å; F437-F469 HydrophobicContact CD1-CG 3.97Å; F437-F469 HydrophobicContact CD2-CB 4.03Å; F437-F469 AromaticContact CD2-CD1 3.31Å; F437-F469 HydrophobicContact CD2-CD1 3.31Å; F437-F469 AromaticContact CD2-CD2 3.53Å; F437-F469 HydrophobicContact CD2-CD2 3.53Å; F437-F469 AromaticContact CD2-CE1 3.52Å; F437-F469 HydrophobicContact CD2-CE1 3.52Å; F437-F469 AromaticContact CD2-CE2 3.73Å; F437-F469 HydrophobicContact CD2-CE2 3.73Å; F437-F469 AromaticContact CD2-CG 3.33Å; F437-F469 HydrophobicContact CD2-CG 3.33Å; F437-F469 AromaticContact CD2-CZ 3.74Å; F437-F469 HydrophobicContact CD2-CZ 3.74Å; F437-F469 HydrophobicContact CE1-CB 4.11Å; F437-F469 HydrophobicContact CE1-CD2 4.1Å; F437-F469 HydrophobicContact CE1-CG 4.19Å; F437-F469 HydrophobicContact CE2-CB 4.38Å; F437-F469 AromaticContact CE2-CD1 3.93Å; F437-F469 HydrophobicContact CE2-CD1 3.93Å; F437-F469 AromaticContact CE2-CD2 3.23Å; F437-F469 HydrophobicContact CE2-CD2 3.23Å; F437-F469 AromaticContact CE2-CE1 3.98Å; F437-F469 HydrophobicContact CE2-CE1 3.98Å; F437-F469 AromaticContact CE2-CE2 3.29Å; F437-F469 HydrophobicContact CE2-CE2 3.29Å; F437-F469 AromaticContact CE2-CG 3.59Å; F437-F469 HydrophobicContact CE2-CG 3.59Å; F437-F469 AromaticContact CE2-CZ 3.69Å; F437-F469 HydrophobicContact CE2-CZ 3.69Å; F437-F469 HydrophobicContact CG-CB 3.68Å; F437-F469 AromaticContact CG-CD1 3.66Å; F437-F469 HydrophobicContact CG-CD1 3.66Å; F437-F469 HydrophobicContact CG-CD2 4.08Å; F437-F469 HydrophobicContact CG-CE1 4.31Å; F437-F469 AromaticContact CG-CG 3.54Å; F437-F469 HydrophobicContact CG-CG 3.54Å; F437-F469 HydrophobicContact CZ-CB 4.42Å; F437-F469 AromaticContact CZ-CD2 3.55Å; F437-F469 HydrophobicContact CZ-CD2 3.55Å; F437-F469 AromaticContact CZ-CE2 3.95Å; F437-F469 HydrophobicContact CZ-CE2 3.95Å; F437-F469 HydrophobicContact CZ-CG 4.01Å
438R98.9Very high98.5Very high63 Ų6324.8 Ų24.824%0.23814%0.137CC..Hα-helixtrans-67.2-33.3172.7-75.4175.663.8-98.7-2.7112.4L434 A435 M436 V440 V445 K538 G566L434-R438 WeakPolarHBondContact O-CB 3.31Å; L434-R438 WeakPolarHBondContact O-CG 3.43Å; L434-R438 PolarHBondContact O-N 3.4Å; A435-R438 PolarHBondContact O-N 3.44Å; M436-R438 PolarHBondContact O-N 3.07Å; R438-V440 VanDerWaalsContact C-N 3.27Å; R438-V440 PolarHBondContact O-N 3.18Å; R438-V445 HydrophobicContact CG-CG2 4.32Å; R438-K538 HydrophobicContact CG-CB 4.36Å; R438-K538 HydrophobicContact CG-CD 4.48Å; R438-K538 PolarHBondContact O-NZ 3.41Å; R438-G566 WeakPolarHBondContact CD-O 3.31Å; R438-G566 PolarHBondContact NH1-O 2.94Å
439S98.9Very high98.5Very high75 Ų7522.5 Ų22.552%0.52413%0.126SC..Hα-helixtrans-68.7-24.9177.379.70000113.2F397 A435 M436 F437 P441F397-S439 WeakPolarHBondContact CZ-OG 3.46Å; A435-S439 WeakPolarHBondContact O-CB 3.46Å; A435-S439 PolarHBondContact O-N 3.01Å; M436-S439 WeakPolarHBondContact O-CB 3.42Å; M436-S439 PolarHBondContact O-N 3.4Å; M436-S439 VanDerWaalsContact O-N 3.17Å; M436-S439 PolarHBondContact O-OG 3.04Å; F437-S439 VanDerWaalsContact C-N 3.31Å; F437-S439 PolarHBondContact O-N 3.48Å; S439-P441 VanDerWaalsContact O-CD 3.32Å; S439-P441 WeakPolarHBondContact O-CD 3.32Å
440V98.8Very high98.5Very high2 Ų222.4 Ų22.41%0.01213%0.125CC..SBendtrans-68.7120.2177.5-179.60000109.9F397 I400 A404 M436 F437 R438 S443 I467 K538F397-V440 HydrophobicContact CE2-CG2 3.83Å; I400-V440 HydrophobicContact CG2-CG1 4.37Å; I400-V440 HydrophobicContact CG2-CG2 3.84Å; A404-V440 HydrophobicContact CB-CG1 3.58Å; M436-V440 PolarHBondContact O-N 3.35Å; F437-V440 PolarHBondContact O-N 3.13Å; R438-V440 VanDerWaalsContact C-N 3.27Å; R438-V440 PolarHBondContact O-N 3.18Å; V440-S443 WeakPolarHBondContact O-CB 3.43Å; V440-S443 PolarHBondContact O-N 2.69Å; V440-S443 PolarHBondContact O-OG 2.89Å; V440-I467 HydrophobicContact CG1-CB 4.21Å; V440-I467 HydrophobicContact CG1-CG1 3.93Å; V440-I467 HydrophobicContact CG1-CG2 4.44Å; V440-K538 PolarHBondContact O-NZ 2.87Å
441P95.8Very high98.5Very high87 Ų8722.4 Ų22.457%0.56513%0.125SC*.THydrogen-bonded Turntrans-60.3151173.2-22.334.6000111.2S439 S443S439-P441 VanDerWaalsContact O-CD 3.32Å; S439-P441 WeakPolarHBondContact O-CD 3.32Å; P441-S443 PolarHBondContact O-N 2.98Å; P441-S443 VanDerWaalsContact O-N 3.11Å
442M93.8Very high98.5Very high100 Ų10022.3 Ų22.349%0.49313%0.125SC..THydrogen-bonded Turntrans60.413.6-176.8-54.5173.753.400115.6I467M442-I467 PolarHBondContact O-N 3.17Å
443S98.8Very high98.5Very high6 Ų618.5 Ų18.54%0.04211%0.107CC..EExtended strand (participates in β ladder)trans-79.3144.117567.20000113.1F437 V440 P441 I467 K538F437-S443 VanDerWaalsContact O-CB 3.28Å; F437-S443 WeakPolarHBondContact O-CB 3.46Å; F437-S443 PolarHBondContact O-OG 3.01Å; V440-S443 WeakPolarHBondContact O-CB 3.43Å; V440-S443 PolarHBondContact O-N 2.69Å; V440-S443 PolarHBondContact O-OG 2.89Å; P441-S443 PolarHBondContact O-N 2.98Å; P441-S443 VanDerWaalsContact O-N 3.11Å; S443-I467 CarbonylContact C-O 3.55Å; S443-I467 WeakPolarHBondContact CA-O 3.45Å; S443-I467 WeakPolarHBondContact CB-O 3.34Å; S443-K538 WeakPolarHBondContact O-CE 3.48Å; S443-K538 WeakPolarHBondContact OG-CD 3.16Å; S443-K538 WeakPolarHBondContact OG-CE 3.4Å; S443-K538 PolarHBondContact OG-NZ 3.47Å
444T98.9Very high98.5Very high13 Ų1318.4 Ų18.48%0.0811%0.107CC..EExtended strand (participates in β ladder)trans-114.1123164.4-58.60000108F446 I467 C468 F469 V489 T536 K538T444-F446 HydrophobicContact CG2-CD2 4.08Å; T444-F446 HydrophobicContact CG2-CE1 4.32Å; T444-F446 HydrophobicContact CG2-CE2 3.47Å; T444-F446 VanDerWaalsContact CG2-CE2 3.47Å; T444-F446 HydrophobicContact CG2-CZ 3.61Å; T444-I467 PolarHBondContact N-O 3.06Å; T444-C468 CarbonylContact O-C 3.59Å; T444-C468 WeakPolarHBondContact O-CA 3.13Å; T444-F469 PolarHBondContact O-N 3.41Å; T444-V489 HydrophobicContact CG2-CG1 3.73Å; T444-V489 HydrophobicContact CG2-CG2 4.25Å; T444-T536 HydrophobicContact CG2-CG2 4.46Å; T444-K538 CarbonylContact C-O 3.56Å; T444-K538 WeakPolarHBondContact CA-O 3.49Å
445V98.9Very high98.5Very high0 Ų018.8 Ų18.80%011%0.109CC..EExtended strand (participates in β ladder)trans-111.2102.6-173.9177.60000109.2L434 F437 R438 F469 T536 I537 K538L434-V445 HydrophobicContact CD2-CG1 3.75Å; F437-V445 HydrophobicContact CB-CG2 3.91Å; R438-V445 HydrophobicContact CG-CG2 4.32Å; V445-F469 HydrophobicContact CG1-CD1 4.05Å; V445-T536 CarbonylContact O-C 3.44Å; V445-T536 WeakPolarHBondContact O-CA 3.33Å; V445-T536 WeakPolarHBondContact O-CB 3.23Å; V445-I537 HydrophobicContact CB-CB 4.35Å; V445-I537 HydrophobicContact CG1-CB 3.97Å; V445-I537 HydrophobicContact CG1-CG1 4.18Å; V445-I537 PolarHBondContact O-N 3.31Å; V445-K538 HydrophobicContact CB-CB 4.07Å; V445-K538 HydrophobicContact CG2-CB 4.08Å; V445-K538 PolarHBondContact N-O 2.94Å
446F98.9Very high98.5Very high0 Ų018.8 Ų18.80%010%0.103CC..EExtended strand (participates in β ladder)trans-87.4134.8172.3-58.8-90000110T444 A457 L460 A461 C468 F469 I470 R471 V489 F535 T536T444-F446 HydrophobicContact CG2-CD2 4.08Å; T444-F446 HydrophobicContact CG2-CE1 4.32Å; T444-F446 HydrophobicContact CG2-CE2 3.47Å; T444-F446 VanDerWaalsContact CG2-CE2 3.47Å; T444-F446 HydrophobicContact CG2-CZ 3.61Å; F446-A457 HydrophobicContact CB-CB 3.98Å; F446-A457 HydrophobicContact CD1-CB 3.81Å; F446-A457 HydrophobicContact CG-CB 3.98Å; F446-L460 HydrophobicContact CE1-CB 3.96Å; F446-L460 HydrophobicContact CE1-CD1 4.11Å; F446-L460 HydrophobicContact CZ-CB 3.94Å; F446-A461 HydrophobicContact CE2-CB 3.99Å; F446-C468 HydrophobicContact CE2-CB 4.35Å; F446-F469 PolarHBondContact N-O 3.48Å; F446-I470 HydrophobicContact CB-CG1 4.25Å; F446-I470 HydrophobicContact CB-CG2 4.44Å; F446-I470 HydrophobicContact CD2-CG1 4.14Å; F446-I470 HydrophobicContact CG-CG1 4.49Å; F446-R471 PolarHBondContact O-N 3.44Å; F446-V489 HydrophobicContact CE1-CG2 3.84Å; F446-V489 HydrophobicContact CZ-CG2 3.71Å; F446-F535 HydrophobicContact CD1-CE1 4.09Å; F446-F535 AromaticContact CD1-CZ 3.96Å; F446-F535 HydrophobicContact CD1-CZ 3.96Å; F446-F535 HydrophobicContact CE1-CE1 4.14Å; F446-F535 HydrophobicContact CE1-CZ 4.22Å; F446-T536 HydrophobicContact CD1-CG2 3.49Å; F446-T536 VanDerWaalsContact CD1-CG2 3.49Å; F446-T536 HydrophobicContact CE1-CG2 3.72Å; F446-T536 HydrophobicContact CG-CG2 4.17Å
447Y98.9Very high98.5Very high0 Ų018.1 Ų18.10%010%0.1CC..  trans-131.579.3168.7-168-175.1000109.3R471 A508 F535 I537 I568Y447-R471 HydrophobicContact CD2-CB 3.78Å; Y447-R471 HydrophobicContact CD2-CG 4.02Å; Y447-R471 WeakPolarHBondContact CD2-O 3.5Å; Y447-R471 HydrophobicContact CE2-CB 4.3Å; Y447-R471 HydrophobicContact CE2-CG 4.03Å; Y447-R471 HydrophobicContact CG-CB 4.09Å; Y447-R471 HydrophobicContact CG-CG 4.43Å; Y447-R471 VanDerWaalsContact CZ-NH1 3.27Å; Y447-R471 PolarHBondContact OH-NH1 3.08Å; Y447-A508 HydrophobicContact CD1-CB 3.32Å; Y447-A508 HydrophobicContact CE1-CB 3.56Å; Y447-A508 HydrophobicContact CG-CB 3.92Å; Y447-A508 PolarHBondContact OH-O 2.93Å; Y447-F535 PolarHBondContact N-O 2.95Å; Y447-I537 HydrophobicContact CD1-CD1 4.47Å; Y447-I568 HydrophobicContact CD1-CD1 4.22Å; Y447-I568 HydrophobicContact CE1-CD1 4.38Å
448P98.9Very high98.5Very high0 Ų018.1 Ų18.10%010%0.1CC..  trans-67.6135.6-177.928.4-36.3000111.7A453 T454 I470 R471P448-A453 HydrophobicContact CB-CB 3.83Å; P448-T454 WeakPolarHBondContact CB-OG1 3.35Å; P448-T454 HydrophobicContact CG-CG2 4.33Å; P448-I470 HydrophobicContact CG-CG2 3.98Å; P448-R471 WeakPolarHBondContact CD-O 3.49Å
449S98.9Very high98.5Very high0 Ų016.8 Ų16.80%010%0.097CC..  trans-94.9-12.4-175.6-61.40000114.4G509 H513 D533S449-G509 PolarHBondContact OG-N 3.26Å; S449-H513 PolarHBondContact O-NE2 2.95Å; S449-D533 WeakPolarHBondContact CB-OD2 3.3Å; S449-D533 PolarHBondContact OG-OD1 2.79Å; S449-D533 PolarHBondContact OG-OD2 2.83Å
450D98.9Very high98.5Very high1 Ų114.8 Ų14.81%0.0058%0.08CC..SBendtrans-149.6-175.8173.880-3000112.5V452 A453 T454 I479 I480 Y481D450-V452 PolarHBondContact OD1-N 3.01Å; D450-A453 WeakPolarHBondContact OD1-CB 3.43Å; D450-A453 PolarHBondContact OD1-N 3.17Å; D450-T454 WeakPolarHBondContact O-CB 3.37Å; D450-T454 PolarHBondContact O-N 2.96Å; D450-T454 PolarHBondContact O-OG1 3.5Å; D450-I479 HydrophobicContact CB-CD1 4.27Å; D450-I480 HydrophobicContact CB-CG1 4.48Å; D450-I480 PolarHBondContact OD2-N 3.22Å; D450-Y481 WeakPolarHBondContact OD2-CD2 3.34Å; D450-Y481 PolarHBondContact OD2-N 3.25Å; D450-Y481 VanDerWaalsContact OD2-N 3.12Å
451G98.9Very high98.5Very high0 Ų014.7 Ų14.70%08%0.079CC..Hα-helixtrans-64.9-37.7-179.600000114.6Y309 T454 E455Y309-G451 VanDerWaalsContact CE2-C 3.42Å; Y309-G451 VanDerWaalsContact CE2-O 3.29Å; Y309-G451 WeakPolarHBondContact CE2-O 3.41Å; G451-T454 PolarHBondContact O-N 3.13Å; G451-E455 PolarHBondContact O-N 3.02Å
452V98.9Very high98.7Very high0 Ų011 Ų110%06%0.056CC..Hα-helixtrans-65.5-50.2178.41730000109.9P307 Y309 D450 T454 E455 K456 I479 F487P307-V452 HydrophobicContact CB-CG2 4.4Å; P307-V452 HydrophobicContact CG-CG1 4.34Å; Y309-V452 HydrophobicContact CD2-CB 4.45Å; Y309-V452 HydrophobicContact CD2-CG2 3.68Å; Y309-V452 HydrophobicContact CG-CG2 4.2Å; D450-V452 PolarHBondContact OD1-N 3.01Å; V452-T454 PolarHBondContact O-N 3.3Å; V452-E455 PolarHBondContact O-N 3.36Å; V452-K456 WeakPolarHBondContact O-CG 3.39Å; V452-K456 PolarHBondContact O-N 2.73Å; V452-K456 VanDerWaalsContact O-N 3.12Å; V452-I479 HydrophobicContact CG2-CG2 3.97Å; V452-F487 HydrophobicContact CG1-CE2 4.15Å
453A98.9Very high98.9Very high0 Ų08.7 Ų8.70%05%0.046CC..Hα-helixtrans-61.1-35.4177.300000111.5P448 D450 K456 A457 Y481 F487 F535P448-A453 HydrophobicContact CB-CB 3.83Å; D450-A453 WeakPolarHBondContact OD1-CB 3.43Å; D450-A453 PolarHBondContact OD1-N 3.17Å; A453-K456 PolarHBondContact O-N 3.2Å; A453-A457 WeakPolarHBondContact O-CB 3.47Å; A453-A457 PolarHBondContact O-N 2.71Å; A453-Y481 HydrophobicContact CB-CD2 4.42Å; A453-Y481 HydrophobicContact CB-CE2 4.41Å; A453-F487 HydrophobicContact CB-CE1 3.99Å; A453-F487 HydrophobicContact CB-CZ 3.95Å; A453-F535 HydrophobicContact CB-CD2 4.27Å; A453-F535 HydrophobicContact CB-CE2 4.24Å
454T98.9Very high98.9Very high0 Ų010.2 Ų10.20%06%0.055CC..Hα-helixtrans-65.1-46.5177.3-56.40000111.7T317 A320 P448 D450 G451 V452 K456 A457 V458T317-T454 VanDerWaalsContact CB-OG1 3.32Å; T317-T454 WeakPolarHBondContact CB-OG1 3.37Å; T317-T454 WeakPolarHBondContact CG2-OG1 3.12Å; A320-T454 HydrophobicContact CB-CG2 4.01Å; P448-T454 WeakPolarHBondContact CB-OG1 3.35Å; P448-T454 HydrophobicContact CG-CG2 4.33Å; D450-T454 WeakPolarHBondContact O-CB 3.37Å; D450-T454 PolarHBondContact O-N 2.96Å; D450-T454 PolarHBondContact O-OG1 3.5Å; G451-T454 PolarHBondContact O-N 3.13Å; V452-T454 PolarHBondContact O-N 3.3Å; T454-K456 VanDerWaalsContact C-N 3.29Å; T454-K456 PolarHBondContact O-N 2.58Å; T454-A457 PolarHBondContact O-N 2.9Å; T454-V458 WeakPolarHBondContact O-CG2 3.45Å; T454-V458 PolarHBondContact O-N 2.88Å
455E98.9Very high98.9Very high8 Ų817.6 Ų17.64%0.0379%0.086CC..Hα-helixtrans-62.2-39.7179-172.5171.9142.800111.7M303 P307 Y309 A324 K327 G451 V452 V458 E459M303-E455 HydrophobicContact CE-CG 3.78Å; M303-E455 WeakPolarHBondContact CE-O 3.32Å; M303-E455 HydrophobicContact SD-CG 4.31Å; P307-E455 VanDerWaalsContact CA-OE1 3.31Å; P307-E455 WeakPolarHBondContact CA-OE1 3.46Å; P307-E455 HydrophobicContact CG-CB 4.18Å; P307-E455 HydrophobicContact CG-CG 4.15Å; Y309-E455 HydrophobicContact CE2-CB 4.36Å; Y309-E455 WeakPolarHBondContact CE2-OE2 3.43Å; A324-E455 HydrophobicContact CB-CB 3.96Å; A324-E455 HydrophobicContact CB-CG 3.83Å; K327-E455 IonicContact NZ-OE1 3.79Å; K327-E455 PolarHBondContact NZ-OE1 3.4Å; G451-E455 PolarHBondContact O-N 3.02Å; V452-E455 PolarHBondContact O-N 3.36Å; E455-V458 PolarHBondContact O-N 3.11Å; E455-E459 PolarHBondContact O-N 3.39Å; E455-E459 VanDerWaalsContact O-N 3.14Å
456K98.9Very high98.9Very high26 Ų2617.6 Ų17.611%0.1139%0.086CC..Hα-helixtrans-67.4-39.4174.3-65.7-63.1-176.4-177.40113.2V452 A453 T454 V458 E459 L460 F487V452-K456 WeakPolarHBondContact O-CG 3.39Å; V452-K456 PolarHBondContact O-N 2.73Å; V452-K456 VanDerWaalsContact O-N 3.12Å; A453-K456 PolarHBondContact O-N 3.2Å; T454-K456 VanDerWaalsContact C-N 3.29Å; T454-K456 PolarHBondContact O-N 2.58Å; K456-V458 VanDerWaalsContact C-N 3.31Å; K456-V458 PolarHBondContact O-N 2.6Å; K456-E459 IonicContact NZ-OE2 3.43Å; K456-E459 PolarHBondContact O-N 3.24Å; K456-L460 WeakPolarHBondContact O-CB 3.28Å; K456-L460 VanDerWaalsContact O-CG 3.29Å; K456-L460 WeakPolarHBondContact O-CG 3.36Å; K456-L460 PolarHBondContact O-N 3.15Å; K456-F487 HydrophobicContact CB-CB 3.86Å; K456-F487 HydrophobicContact CB-CD2 4.1Å; K456-F487 HydrophobicContact CB-CG 4.09Å; K456-F487 HydrophobicContact CG-CB 4.23Å; K456-F487 HydrophobicContact CG-CD2 3.79Å; K456-F487 HydrophobicContact CG-CG 4.28Å
457A98.9Very high98.9Very high0 Ų017.6 Ų17.60%09%0.086CC..Hα-helixtrans-61.3-39.9174.900000111.9F446 A453 T454 L460 A461 I470 F535F446-A457 HydrophobicContact CB-CB 3.98Å; F446-A457 HydrophobicContact CD1-CB 3.81Å; F446-A457 HydrophobicContact CG-CB 3.98Å; A453-A457 WeakPolarHBondContact O-CB 3.47Å; A453-A457 PolarHBondContact O-N 2.71Å; T454-A457 PolarHBondContact O-N 2.9Å; A457-L460 PolarHBondContact O-N 2.86Å; A457-A461 WeakPolarHBondContact O-CB 3.34Å; A457-A461 PolarHBondContact O-N 2.8Å; A457-I470 HydrophobicContact CB-CD1 4.49Å; A457-I470 HydrophobicContact CB-CG2 4.38Å; A457-F535 HydrophobicContact CB-CE2 4.22Å; A457-F535 HydrophobicContact CB-CZ 4.29Å
458V98.9Very high98.9Very high0 Ų017.6 Ų17.60%09%0.086CC..Hα-helixtrans-64-46.4175.8171.50000111.6M303 Y321 A324 L328 F385 T454 E455 K456 A461 A462 I470M303-V458 HydrophobicContact CE-CB 4.26Å; M303-V458 HydrophobicContact CE-CG1 4.02Å; Y321-V458 HydrophobicContact CD2-CG2 3.73Å; Y321-V458 HydrophobicContact CE2-CG2 4.31Å; A324-V458 HydrophobicContact CB-CB 4.1Å; A324-V458 HydrophobicContact CB-CG1 4.3Å; A324-V458 HydrophobicContact CB-CG2 4.03Å; L328-V458 HydrophobicContact CD2-CG1 3.96Å; F385-V458 HydrophobicContact CE1-CG1 4.24Å; F385-V458 HydrophobicContact CZ-CG1 4.35Å; T454-V458 WeakPolarHBondContact O-CG2 3.45Å; T454-V458 PolarHBondContact O-N 2.88Å; E455-V458 PolarHBondContact O-N 3.11Å; K456-V458 VanDerWaalsContact C-N 3.31Å; K456-V458 PolarHBondContact O-N 2.6Å; V458-A461 PolarHBondContact O-N 2.91Å; V458-A462 PolarHBondContact O-N 3.19Å; V458-A462 VanDerWaalsContact O-N 3.13Å; V458-I470 HydrophobicContact CG2-CD1 3.93Å
459E98.9Very high98.9Very high35 Ų3517.6 Ų17.616%0.1649%0.086CC..Hα-helixtrans-61.2-45.4176.3-177.7173.1-143.700112.1R302 M303 E455 K456 N463R302-E459 WeakPolarHBondContact CA-OE1 3.11Å; M303-E459 HydrophobicContact CE-CB 4.09Å; M303-E459 HydrophobicContact CG-CB 3.91Å; M303-E459 HydrophobicContact CG-CG 4.05Å; M303-E459 PolarHBondContact N-OE1 2.72Å; E455-E459 PolarHBondContact O-N 3.39Å; E455-E459 VanDerWaalsContact O-N 3.14Å; K456-E459 IonicContact NZ-OE2 3.43Å; K456-E459 PolarHBondContact O-N 3.24Å; E459-N463 PolarHBondContact O-ND2 2.93Å
460L98.9Very high98.9Very high32 Ų3217.6 Ų17.617%0.1689%0.086CC..Hα-helixtrans-66-44.6178.6-71.8169000111.8F446 K456 A457 A462 N463 T464 F487 V489 F535F446-L460 HydrophobicContact CE1-CB 3.96Å; F446-L460 HydrophobicContact CE1-CD1 4.11Å; F446-L460 HydrophobicContact CZ-CB 3.94Å; K456-L460 WeakPolarHBondContact O-CB 3.28Å; K456-L460 VanDerWaalsContact O-CG 3.29Å; K456-L460 WeakPolarHBondContact O-CG 3.36Å; K456-L460 PolarHBondContact O-N 3.15Å; A457-L460 PolarHBondContact O-N 2.86Å; L460-A462 VanDerWaalsContact C-N 3.32Å; L460-A462 PolarHBondContact O-N 3.47Å; L460-N463 CarbonylContact O-C 3.59Å; L460-N463 PolarHBondContact O-N 3.46Å; L460-N463 VanDerWaalsContact O-N 3.07Å; L460-T464 WeakPolarHBondContact O-CB 3.33Å; L460-T464 PolarHBondContact O-N 3.07Å; L460-T464 PolarHBondContact O-OG1 3.38Å; L460-F487 HydrophobicContact CD1-CB 4.37Å; L460-V489 HydrophobicContact CB-CG2 4.46Å; L460-V489 HydrophobicContact CD1-CG2 4.5Å; L460-F535 HydrophobicContact CD1-CE1 3.7Å; L460-F535 HydrophobicContact CD1-CZ 3.74Å
461A98.9Very high98.9Very high0 Ų017.6 Ų17.60%09%0.086CC..Hα-helixtrans-58.3-43.9179.200000111.5F385 N411 F446 A457 V458 N463 T464 C468 I470F385-A461 HydrophobicContact CE1-CB 4.24Å; F385-A461 HydrophobicContact CZ-CB 4.3Å; N411-A461 WeakPolarHBondContact OD1-CB 3.3Å; N411-A461 PolarHBondContact OD1-O 3.19Å; F446-A461 HydrophobicContact CE2-CB 3.99Å; A457-A461 WeakPolarHBondContact O-CB 3.34Å; A457-A461 PolarHBondContact O-N 2.8Å; V458-A461 PolarHBondContact O-N 2.91Å; A461-N463 PolarHBondContact O-N 2.87Å; A461-T464 PolarHBondContact O-N 3.1Å; A461-C468 HydrophobicContact CB-CB 3.9Å; A461-I470 HydrophobicContact CB-CD1 4.03Å
462A98.8Very high98.9Very high9 Ų917.6 Ų17.67%0.0749%0.086CC..Hα-helixtrans-58.5-21177.700000114.4L328 I335 V383 F385 V458 L460L328-A462 HydrophobicContact CD2-CB 3.59Å; I335-A462 HydrophobicContact CD1-CB 4.22Å; V383-A462 HydrophobicContact CG1-CB 4.38Å; F385-A462 HydrophobicContact CE2-CB 4.06Å; F385-A462 HydrophobicContact CZ-CB 3.93Å; V458-A462 PolarHBondContact O-N 3.19Å; V458-A462 VanDerWaalsContact O-N 3.13Å; L460-A462 VanDerWaalsContact C-N 3.32Å; L460-A462 PolarHBondContact O-N 3.47Å
463N98.8Very high98.9Very high53 Ų5317.6 Ų17.628%0.2839%0.086SC..THydrogen-bonded Turntrans-112.51.9180-61.2-66.4000113.5N300 I301 E459 L460 A461N300-N463 WeakPolarHBondContact CA-OD1 3.45Å; N300-N463 VanDerWaalsContact CG-CG 3.44Å; N300-N463 PolarHBondContact ND2-ND2 3.3Å; N300-N463 PolarHBondContact ND2-OD1 3.5Å; N300-N463 WeakPolarHBondContact OD1-CB 3.44Å; N300-N463 PolarHBondContact OD1-OD1 2.67Å; N300-N463 VanDerWaalsContact OD1-OD1 3.04Å; I301-N463 PolarHBondContact N-OD1 3.23Å; I301-N463 PolarHBondContact O-ND2 3.25Å; I301-N463 PolarHBondContact O-OD1 2.99Å; E459-N463 PolarHBondContact O-ND2 2.93Å; L460-N463 CarbonylContact O-C 3.59Å; L460-N463 PolarHBondContact O-N 3.46Å; L460-N463 VanDerWaalsContact O-N 3.07Å; A461-N463 PolarHBondContact O-N 2.87Å
464T98.8Very high98.9Very high37 Ų3721.4 Ų21.423%0.22710%0.101CC..SBendtrans-103.4128.3-178.5-60.10000109.4L460 A461L460-T464 WeakPolarHBondContact O-CB 3.33Å; L460-T464 PolarHBondContact O-N 3.07Å; L460-T464 PolarHBondContact O-OG1 3.38Å; A461-T464 PolarHBondContact O-N 3.1Å
465K98.6Very high98.8Very high168 Ų16822.8 Ų22.873%0.7311%0.11SC*.  trans-72.4158.7177.4-66.9-177.5-178.4179.20111.7N409N409-K465 VanDerWaalsContact OD1-CA 3.23Å; N409-K465 WeakPolarHBondContact OD1-CA 3.46Å; N409-K465 VanDerWaalsContact OD1-CB 3.3Å; N409-K465 WeakPolarHBondContact OD1-CB 3.35Å
466G98.6Very high98.8Very high1 Ų127.9 Ų27.91%0.0113%0.134CC..SBendtrans87.9-151.5177.500000113.1S408 N409 I410S408-G466 CarbonylContact O-C 3.58Å; S408-G466 WeakPolarHBondContact O-CA 3.28Å; N409-G466 WeakPolarHBondContact CA-O 3.43Å; N409-G466 PolarHBondContact OD1-N 3.07Å; I410-G466 PolarHBondContact N-O 2.99Å
467I98.9Very high98.8Very high0 Ų028.2 Ų28.20%014%0.136CC..EExtended strand (participates in β ladder)trans-97.496.5-174.4-50.4-55.8000109.3I400 A403 A404 I410 L412 F437 V440 M442 S443 T444I400-I467 HydrophobicContact CG2-CG2 4.03Å; A403-I467 HydrophobicContact CB-CD1 3.77Å; A404-I467 HydrophobicContact CB-CG1 4.04Å; I410-I467 HydrophobicContact CD1-CD1 4.15Å; I410-I467 HydrophobicContact CG1-CD1 3.7Å; L412-I467 HydrophobicContact CD1-CG2 4.04Å; F437-I467 HydrophobicContact CD1-CG2 4.47Å; F437-I467 HydrophobicContact CE1-CG2 4.45Å; V440-I467 HydrophobicContact CG1-CB 4.21Å; V440-I467 HydrophobicContact CG1-CG1 3.93Å; V440-I467 HydrophobicContact CG1-CG2 4.44Å; M442-I467 PolarHBondContact O-N 3.17Å; S443-I467 CarbonylContact C-O 3.55Å; S443-I467 WeakPolarHBondContact CA-O 3.45Å; S443-I467 WeakPolarHBondContact CB-O 3.34Å; T444-I467 PolarHBondContact N-O 3.06Å
468C98.9Very high98.8Very high0 Ų029.5 Ų29.50%015%0.147CC..EExtended strand (participates in β ladder)trans-87.8118.6179-69.20000110.1I410 N411 L412 T444 F446 A461I410-C468 PolarHBondContact O-N 3.01Å; N411-C468 CarbonylContact C-O 3.52Å; N411-C468 WeakPolarHBondContact CA-O 3.33Å; N411-C468 HydrophobicContact CB-CB 4.48Å; N411-C468 WeakPolarHBondContact OD1-CB 3.41Å; L412-C468 PolarHBondContact N-O 2.74Å; T444-C468 CarbonylContact O-C 3.59Å; T444-C468 WeakPolarHBondContact O-CA 3.13Å; F446-C468 HydrophobicContact CE2-CB 4.35Å; A461-C468 HydrophobicContact CB-CB 3.9Å
469F98.9Very high98.8Very high0 Ų029.7 Ų29.70%015%0.148CC..EExtended strand (participates in β ladder)trans-109.1130.4174.8176.5-121.9000110.8A390 F393 L412 D433 F437 T444 V445 F446 R471A390-F469 HydrophobicContact CB-CZ 4.11Å; F393-F469 HydrophobicContact CD2-CE2 4.32Å; L412-F469 HydrophobicContact CB-CD2 4.31Å; L412-F469 CarbonylContact O-C 3.55Å; L412-F469 VanDerWaalsContact O-CA 3.28Å; L412-F469 WeakPolarHBondContact O-CA 3.39Å; L412-F469 VanDerWaalsContact O-CD2 3.24Å; L412-F469 WeakPolarHBondContact O-CD2 3.34Å; D433-F469 HydrophobicContact CB-CE1 4.43Å; D433-F469 HydrophobicContact CB-CZ 4.26Å; D433-F469 WeakPolarHBondContact OD2-CE1 3.49Å; D433-F469 WeakPolarHBondContact OD2-CZ 3.23Å; F437-F469 HydrophobicContact CB-CB 4.1Å; F437-F469 HydrophobicContact CB-CD1 3.89Å; F437-F469 HydrophobicContact CB-CG 4.14Å; F437-F469 HydrophobicContact CD1-CB 3.73Å; F437-F469 HydrophobicContact CD1-CD2 4.33Å; F437-F469 AromaticContact CD1-CG 3.97Å; F437-F469 HydrophobicContact CD1-CG 3.97Å; F437-F469 HydrophobicContact CD2-CB 4.03Å; F437-F469 AromaticContact CD2-CD1 3.31Å; F437-F469 HydrophobicContact CD2-CD1 3.31Å; F437-F469 AromaticContact CD2-CD2 3.53Å; F437-F469 HydrophobicContact CD2-CD2 3.53Å; F437-F469 AromaticContact CD2-CE1 3.52Å; F437-F469 HydrophobicContact CD2-CE1 3.52Å; F437-F469 AromaticContact CD2-CE2 3.73Å; F437-F469 HydrophobicContact CD2-CE2 3.73Å; F437-F469 AromaticContact CD2-CG 3.33Å; F437-F469 HydrophobicContact CD2-CG 3.33Å; F437-F469 AromaticContact CD2-CZ 3.74Å; F437-F469 HydrophobicContact CD2-CZ 3.74Å; F437-F469 HydrophobicContact CE1-CB 4.11Å; F437-F469 HydrophobicContact CE1-CD2 4.1Å; F437-F469 HydrophobicContact CE1-CG 4.19Å; F437-F469 HydrophobicContact CE2-CB 4.38Å; F437-F469 AromaticContact CE2-CD1 3.93Å; F437-F469 HydrophobicContact CE2-CD1 3.93Å; F437-F469 AromaticContact CE2-CD2 3.23Å; F437-F469 HydrophobicContact CE2-CD2 3.23Å; F437-F469 AromaticContact CE2-CE1 3.98Å; F437-F469 HydrophobicContact CE2-CE1 3.98Å; F437-F469 AromaticContact CE2-CE2 3.29Å; F437-F469 HydrophobicContact CE2-CE2 3.29Å; F437-F469 AromaticContact CE2-CG 3.59Å; F437-F469 HydrophobicContact CE2-CG 3.59Å; F437-F469 AromaticContact CE2-CZ 3.69Å; F437-F469 HydrophobicContact CE2-CZ 3.69Å; F437-F469 HydrophobicContact CG-CB 3.68Å; F437-F469 AromaticContact CG-CD1 3.66Å; F437-F469 HydrophobicContact CG-CD1 3.66Å; F437-F469 HydrophobicContact CG-CD2 4.08Å; F437-F469 HydrophobicContact CG-CE1 4.31Å; F437-F469 AromaticContact CG-CG 3.54Å; F437-F469 HydrophobicContact CG-CG 3.54Å; F437-F469 HydrophobicContact CZ-CB 4.42Å; F437-F469 AromaticContact CZ-CD2 3.55Å; F437-F469 HydrophobicContact CZ-CD2 3.55Å; F437-F469 AromaticContact CZ-CE2 3.95Å; F437-F469 HydrophobicContact CZ-CE2 3.95Å; F437-F469 HydrophobicContact CZ-CG 4.01Å; T444-F469 PolarHBondContact O-N 3.41Å; V445-F469 HydrophobicContact CG1-CD1 4.05Å; F446-F469 PolarHBondContact N-O 3.48Å; F469-R471 HydrophobicContact CE1-CB 3.74Å; F469-R471 HydrophobicContact CE1-CG 4.2Å; F469-R471 HydrophobicContact CZ-CB 4.01Å; F469-R471 HydrophobicContact CZ-CG 4.27Å
470I99Very high98.8Very high0 Ų030.2 Ų30.20%015%0.152CC..EExtended strand (participates in β ladder)trans-116.5110.4175.2-50.9176.1000108.4F385 L412 C413 G414 F446 P448 A457 V458 A461 T472F385-I470 HydrophobicContact CE1-CD1 4.35Å; L412-I470 PolarHBondContact O-N 2.88Å; C413-I470 CarbonylContact C-O 3.58Å; C413-I470 WeakPolarHBondContact CA-O 3.16Å; G414-I470 PolarHBondContact N-O 3.42Å; F446-I470 HydrophobicContact CB-CG1 4.25Å; F446-I470 HydrophobicContact CB-CG2 4.44Å; F446-I470 HydrophobicContact CD2-CG1 4.14Å; F446-I470 HydrophobicContact CG-CG1 4.49Å; P448-I470 HydrophobicContact CG-CG2 3.98Å; A457-I470 HydrophobicContact CB-CD1 4.49Å; A457-I470 HydrophobicContact CB-CG2 4.38Å; V458-I470 HydrophobicContact CG2-CD1 3.93Å; A461-I470 HydrophobicContact CB-CD1 4.03Å; I470-T472 HydrophobicContact CG2-CG2 4.04Å
471R98.9Very high98.8Very high0 Ų029.4 Ų29.40%015%0.146CC..EExtended strand (participates in β ladder)trans-84.8115.4177.6-167.1-178.1-157.6-118.17.5110.1C417 A430 D433 F446 Y447 P448 F469 D561C417-R471 HydrophobicContact CB-CG 3.6Å; A430-R471 PolarHBondContact O-NH2 2.79Å; D433-R471 VanDerWaalsContact CG-NE 3.35Å; D433-R471 IonicContact OD1-CZ 2.76Å; D433-R471 IonicContact OD1-NE 4Å; D433-R471 PolarHBondContact OD1-NE 3.14Å; D433-R471 VanDerWaalsContact OD1-NE 3.17Å; D433-R471 IonicContact OD1-NH2 3.09Å; D433-R471 PolarHBondContact OD1-NH2 3.41Å; D433-R471 VanDerWaalsContact OD2-CD 3.28Å; D433-R471 WeakPolarHBondContact OD2-CD 3.41Å; D433-R471 WeakPolarHBondContact OD2-CG 3.47Å; D433-R471 IonicContact OD2-CZ 3.82Å; D433-R471 IonicContact OD2-NE 2.77Å; D433-R471 PolarHBondContact OD2-NE 3.27Å; D433-R471 IonicContact OD2-NH2 2.62Å; F446-R471 PolarHBondContact O-N 3.44Å; Y447-R471 HydrophobicContact CD2-CB 3.78Å; Y447-R471 HydrophobicContact CD2-CG 4.02Å; Y447-R471 WeakPolarHBondContact CD2-O 3.5Å; Y447-R471 HydrophobicContact CE2-CB 4.3Å; Y447-R471 HydrophobicContact CE2-CG 4.03Å; Y447-R471 HydrophobicContact CG-CB 4.09Å; Y447-R471 HydrophobicContact CG-CG 4.43Å; Y447-R471 VanDerWaalsContact CZ-NH1 3.27Å; Y447-R471 PolarHBondContact OH-NH1 3.08Å; P448-R471 WeakPolarHBondContact CD-O 3.49Å; F469-R471 HydrophobicContact CE1-CB 3.74Å; F469-R471 HydrophobicContact CE1-CG 4.2Å; F469-R471 HydrophobicContact CZ-CB 4.01Å; F469-R471 HydrophobicContact CZ-CG 4.27Å; R471-D561 PolarHBondContact NH1-O 3.08Å; R471-D561 PolarHBondContact NH2-O 2.87Å
472T98.9Very high98.7Very high0 Ų033.8 Ų33.80%017%0.17CC..  trans-116.3151.2179.763.40000112.6G414 S415 H416 C417 I470G414-T472 PolarHBondContact O-N 3.35Å; G414-T472 PolarHBondContact O-OG1 3.3Å; S415-T472 CarbonylContact C-O 3.56Å; S415-T472 WeakPolarHBondContact CA-O 3.32Å; S415-T472 VanDerWaalsContact CA-OG1 3.23Å; S415-T472 WeakPolarHBondContact CA-OG1 3.27Å; S415-T472 WeakPolarHBondContact CB-OG1 3.35Å; H416-T472 PolarHBondContact N-O 2.84Å; C417-T472 PolarHBondContact N-O 3.15Å; C417-T472 PolarHBondContact SG-O 3.15Å; I470-T472 HydrophobicContact CG2-CG2 4.04Å
473S98.9Very high98.7Very high1 Ų135.5 Ų35.51%0.00718%0.178CC..  trans-112150.1-168.7-50.70000111.7T317 R318 C417T317-S473 PolarHBondContact OG1-N 2.91Å; R318-S473 WeakPolarHBondContact CG-O 3.45Å; R318-S473 PolarHBondContact N-O 3.13Å; C417-S473 PolarHBondContact SG-OG 3.11Å
474R98.7Very high98.7Very high79 Ų7938.5 Ų38.530%0.29819%0.194SC..SBendtrans-73.7-47.3-179.1171163.9-166.1-82.31.3114.4A316 R318 I421 E423A316-R474 VanDerWaalsContact CB-O 3.3Å; A316-R474 WeakPolarHBondContact CB-O 3.23Å; R318-R474 PolarHBondContact NE-O 3.29Å; R318-R474 PolarHBondContact NH2-O 2.92Å; I421-R474 HydrophobicContact CB-CB 4.41Å; I421-R474 HydrophobicContact CG2-CB 4.08Å; I421-R474 WeakPolarHBondContact O-CD 3.45Å; I421-R474 PolarHBondContact O-NH1 2.95Å; E423-R474 IonicContact OE2-NH1 2.61Å
475P98.3Very high98.7Very high30 Ų3039.6 Ų39.620%0.19520%0.197CC..SBendtrans-67.1154.4-177.1-22.134.5000113.4A316 S420 V510A316-P475 VanDerWaalsContact CA-O 3.29Å; A316-P475 WeakPolarHBondContact CA-O 3.27Å; A316-P475 VanDerWaalsContact CB-O 3.29Å; A316-P475 WeakPolarHBondContact CB-O 3.45Å; S420-P475 VanDerWaalsContact O-CG 3.24Å; S420-P475 WeakPolarHBondContact O-CG 3.34Å; P475-V510 HydrophobicContact CG-CG1 4.1Å
476E98.7Very high98.7Very high115 Ų11535.9 Ų35.954%0.53719%0.185SC..EExtended strand (participates in β ladder)trans-81.7125.5167.8-58.2-175.8152.100110.3K314 A316K314-E476 HydrophobicContact CB-CB 4.13Å; A316-E476 HydrophobicContact CB-CG 4.25Å
477N98.3Very high98.7Very high32 Ų3236 Ų3617%0.17119%0.185CC..EExtended strand (participates in β ladder)trans-119.9165.1173.4-70.3-46.8000110.4K314 I315 H513K314-N477 VanDerWaalsContact CA-O 3.29Å; K314-N477 WeakPolarHBondContact CA-O 3.45Å; I315-N477 PolarHBondContact N-O 2.87Å; I315-N477 PolarHBondContact O-N 2.88Å; N477-H513 VanDerWaalsContact CB-CD2 3.41Å; N477-H513 WeakPolarHBondContact CB-CD2 3.38Å; N477-H513 VanDerWaalsContact CB-NE2 3.34Å; N477-H513 WeakPolarHBondContact CB-NE2 3.45Å; N477-H513 PolarHBondContact ND2-CD2 3.42Å
478A98.6Very high98.7Very high28 Ų2840.1 Ų40.123%0.23120%0.204CC..EExtended strand (participates in β ladder)trans-69.4145.6-179.600000111.6D313 H513D313-A478 CarbonylContact O-C 3.48Å; D313-A478 WeakPolarHBondContact O-CA 3.33Å; A478-H513 PolarHBondContact O-CE1 3.12Å
479I98.8Very high98.7Very high3 Ų342.4 Ų42.42%0.01522%0.218CC..  trans-70.7125.4162.5-58.8-66.3000108.1Y309 K310 V311 G312 D313 I315 D450 V452 Y481Y309-I479 HydrophobicContact CD1-CD1 3.88Å; Y309-I479 HydrophobicContact CD1-CG1 4.44Å; Y309-I479 HydrophobicContact CG-CD1 3.88Å; Y309-I479 HydrophobicContact CG-CG1 4.42Å; K310-I479 WeakPolarHBondContact O-CB 3.48Å; V311-I479 HydrophobicContact CG2-CG2 4.47Å; G312-I479 PolarHBondContact N-O 3.11Å; D313-I479 WeakPolarHBondContact O-CG1 3.37Å; D313-I479 PolarHBondContact O-N 3.24Å; I315-I479 HydrophobicContact CG2-CD1 3.66Å; I315-I479 HydrophobicContact CG2-CG1 4.44Å; D450-I479 HydrophobicContact CB-CD1 4.27Å; V452-I479 HydrophobicContact CG2-CG2 3.97Å; I479-Y481 WeakPolarHBondContact CG2-O 3.47Å
480I98.8Very high98.6Very high46 Ų4643.4 Ų43.424%0.23623%0.228CC..  trans-114.8-23.9-178.761.4170.6000112.3D450 V495 L512 L516D450-I480 HydrophobicContact CB-CG1 4.48Å; D450-I480 PolarHBondContact OD2-N 3.22Å; I480-V495 HydrophobicContact CD1-CG1 4.12Å; I480-L512 HydrophobicContact CD1-CD2 3.66Å; I480-L516 HydrophobicContact CG2-CD1 4.28Å
481Y98.8Very high98.6Very high15 Ų1546.8 Ų46.86%0.05924%0.244CC..SBendtrans-93.1149.2179.2-63.8-71.9000112.3V311 D450 A453 I479 E485 F487 K493 V495 D533V311-Y481 WeakPolarHBondContact CG2-O 3.46Å; D450-Y481 WeakPolarHBondContact OD2-CD2 3.34Å; D450-Y481 PolarHBondContact OD2-N 3.25Å; D450-Y481 VanDerWaalsContact OD2-N 3.12Å; A453-Y481 HydrophobicContact CB-CD2 4.42Å; A453-Y481 HydrophobicContact CB-CE2 4.41Å; I479-Y481 WeakPolarHBondContact CG2-O 3.47Å; Y481-E485 HydrophobicContact CD1-CG 3.89Å; Y481-E485 HydrophobicContact CG-CG 4.48Å; Y481-F487 AromaticContact CD1-CZ 3.96Å; Y481-F487 HydrophobicContact CD1-CZ 3.96Å; Y481-F487 HydrophobicContact CD2-CE2 4.48Å; Y481-F487 AromaticContact CD2-CZ 3.68Å; Y481-F487 HydrophobicContact CD2-CZ 3.68Å; Y481-F487 HydrophobicContact CE1-CZ 4.04Å; Y481-F487 HydrophobicContact CE2-CE1 4.29Å; Y481-F487 AromaticContact CE2-CZ 3.77Å; Y481-F487 HydrophobicContact CE2-CZ 3.77Å; Y481-F487 HydrophobicContact CG-CE2 4.26Å; Y481-F487 AromaticContact CG-CZ 3.77Å; Y481-F487 HydrophobicContact CG-CZ 3.77Å; Y481-F487 AromaticContact CZ-CZ 3.95Å; Y481-K493 HydrophobicContact CE1-CB 3.99Å; Y481-K493 HydrophobicContact CE1-CG 3.98Å; Y481-K493 VanDerWaalsContact OH-CB 3.32Å; Y481-K493 WeakPolarHBondContact OH-CB 3.45Å; Y481-V495 HydrophobicContact CE1-CG1 3.83Å; Y481-V495 WeakPolarHBondContact OH-CG1 3.48Å; Y481-D533 VanDerWaalsContact OH-CB 3.28Å; Y481-D533 WeakPolarHBondContact OH-CB 3.37Å; Y481-D533 PolarHBondContact OH-OD2 2.75Å
482N98.6Very high98.6Very high92 Ų9247 Ų4749%0.49225%0.245SC..  trans-72.2149167-63.9-53.5000109.8N484 E485N482-N484 VanDerWaalsContact CB-OD1 3.28Å; N482-N484 WeakPolarHBondContact CB-OD1 3.43Å; N482-N484 PolarHBondContact O-N 3.37Å; N482-N484 VanDerWaalsContact O-N 3.11Å; N482-E485 WeakPolarHBondContact O-CB 3.14Å; N482-E485 PolarHBondContact O-N 3.46Å
483N98.6Very high98.6Very high45 Ų4548.3 Ų48.324%0.24125%0.251CS..THydrogen-bonded Turntrans-59.4-25.7-179.7-70.2-34.6000114.6P307 Y309P307-N483 HydrophobicContact CB-CB 4.3Å; P307-N483 WeakPolarHBondContact CD-O 3.25Å; P307-N483 WeakPolarHBondContact O-CB 3.45Å; P307-N483 PolarHBondContact O-ND2 3.5Å; P307-N483 PolarHBondContact O-OD1 2.95Å; Y309-N483 PolarHBondContact N-ND2 3.34Å; Y309-N483 PolarHBondContact N-OD1 3.49Å; Y309-N483 PolarHBondContact O-ND2 3.21Å; Y309-N483 PolarHBondContact O-OD1 3.15Å
484N97.9Very high98.6Very high117 Ų11750.2 Ų50.263%0.62626%0.263SS*.THydrogen-bonded Turntrans-94.16.3178.669.6-39000113.3L306 N482 D486L306-N484 HydrophobicContact CD1-CB 4.16Å; N482-N484 VanDerWaalsContact CB-OD1 3.28Å; N482-N484 WeakPolarHBondContact CB-OD1 3.43Å; N482-N484 PolarHBondContact O-N 3.37Å; N482-N484 VanDerWaalsContact O-N 3.11Å; N484-D486 PolarHBondContact O-N 2.74Å
485E98.6Very high98.6Very high60 Ų6048.5 Ų48.528%0.2826%0.261SS..  trans-61.3130.7173.8-172.466.3-146.900109.5Y481 N482 F487 K493Y481-E485 HydrophobicContact CD1-CG 3.89Å; Y481-E485 HydrophobicContact CG-CG 4.48Å; N482-E485 WeakPolarHBondContact O-CB 3.14Å; N482-E485 PolarHBondContact O-N 3.46Å; E485-F487 HydrophobicContact CB-CD2 4.46Å; E485-F487 HydrophobicContact CB-CE2 3.9Å; E485-F487 HydrophobicContact CG-CD2 4.24Å; E485-F487 HydrophobicContact CG-CE2 3.65Å; E485-F487 HydrophobicContact CG-CZ 4.19Å; E485-K493 IonicContact OE1-NZ 3.31Å; E485-K493 PolarHBondContact OE1-NZ 3.39Å
486D98.3Very high98.6Very high89 Ų8949.9 Ų49.948%0.47627%0.266SS..  trans-81.8140.9178.3-172.361.9000110.6N484 Q488 K493N484-D486 PolarHBondContact O-N 2.74Å; D486-Q488 PolarHBondContact OD1-NE2 2.81Å; D486-Q488 WeakPolarHBondContact OD2-CG 3.41Å; D486-Q488 PolarHBondContact OD2-NE2 3.01Å; D486-K493 WeakPolarHBondContact O-CE 3.44Å; D486-K493 PolarHBondContact O-NZ 3.33Å
487F98.8Very high98.6Very high5 Ų551.5 Ų51.52%0.02227%0.271CS..  trans-133.2136.9178.1-79.3-93.1000109.7V452 A453 K456 L460 Y481 E485 K493 F535V452-F487 HydrophobicContact CG1-CE2 4.15Å; A453-F487 HydrophobicContact CB-CE1 3.99Å; A453-F487 HydrophobicContact CB-CZ 3.95Å; K456-F487 HydrophobicContact CB-CB 3.86Å; K456-F487 HydrophobicContact CB-CD2 4.1Å; K456-F487 HydrophobicContact CB-CG 4.09Å; K456-F487 HydrophobicContact CG-CB 4.23Å; K456-F487 HydrophobicContact CG-CD2 3.79Å; K456-F487 HydrophobicContact CG-CG 4.28Å; L460-F487 HydrophobicContact CD1-CB 4.37Å; Y481-F487 AromaticContact CD1-CZ 3.96Å; Y481-F487 HydrophobicContact CD1-CZ 3.96Å; Y481-F487 HydrophobicContact CD2-CE2 4.48Å; Y481-F487 AromaticContact CD2-CZ 3.68Å; Y481-F487 HydrophobicContact CD2-CZ 3.68Å; Y481-F487 HydrophobicContact CE1-CZ 4.04Å; Y481-F487 HydrophobicContact CE2-CE1 4.29Å; Y481-F487 AromaticContact CE2-CZ 3.77Å; Y481-F487 HydrophobicContact CE2-CZ 3.77Å; Y481-F487 HydrophobicContact CG-CE2 4.26Å; Y481-F487 AromaticContact CG-CZ 3.77Å; Y481-F487 HydrophobicContact CG-CZ 3.77Å; Y481-F487 AromaticContact CZ-CZ 3.95Å; E485-F487 HydrophobicContact CB-CD2 4.46Å; E485-F487 HydrophobicContact CB-CE2 3.9Å; E485-F487 HydrophobicContact CG-CD2 4.24Å; E485-F487 HydrophobicContact CG-CE2 3.65Å; E485-F487 HydrophobicContact CG-CZ 4.19Å; F487-K493 HydrophobicContact CE1-CG 4.25Å; F487-F535 HydrophobicContact CB-CE1 3.95Å; F487-F535 HydrophobicContact CB-CE2 4.35Å; F487-F535 HydrophobicContact CB-CZ 3.82Å; F487-F535 HydrophobicContact CD1-CB 4.37Å; F487-F535 AromaticContact CD1-CD1 3.88Å; F487-F535 HydrophobicContact CD1-CD1 3.88Å; F487-F535 AromaticContact CD1-CD2 3.39Å; F487-F535 HydrophobicContact CD1-CD2 3.39Å; F487-F535 AromaticContact CD1-CE1 3.93Å; F487-F535 HydrophobicContact CD1-CE1 3.93Å; F487-F535 AromaticContact CD1-CE2 3.44Å; F487-F535 HydrophobicContact CD1-CE2 3.44Å; F487-F535 VanDerWaalsContact CD1-CE2 3.44Å; F487-F535 AromaticContact CD1-CG 3.61Å; F487-F535 HydrophobicContact CD1-CG 3.61Å; F487-F535 AromaticContact CD1-CZ 3.72Å; F487-F535 HydrophobicContact CD1-CZ 3.72Å; F487-F535 HydrophobicContact CE1-CB 4.47Å; F487-F535 AromaticContact CE1-CD2 3.64Å; F487-F535 HydrophobicContact CE1-CD2 3.64Å; F487-F535 AromaticContact CE1-CE2 3.99Å; F487-F535 HydrophobicContact CE1-CE2 3.99Å; F487-F535 HydrophobicContact CE1-CG 4.05Å; F487-F535 HydrophobicContact CG-CD2 4.46Å; F487-F535 HydrophobicContact CG-CE1 4.41Å; F487-F535 HydrophobicContact CG-CE2 4.12Å; F487-F535 HydrophobicContact CG-CZ 4.1Å
488Q98.8Very high98.6Very high85 Ų8551.8 Ų51.840%0.39728%0.276SS..  trans-135.1149.6179.5-57.5-61.2-28.300109.8D486 G490 Q491 F535D486-Q488 PolarHBondContact OD1-NE2 2.81Å; D486-Q488 WeakPolarHBondContact OD2-CG 3.41Å; D486-Q488 PolarHBondContact OD2-NE2 3.01Å; Q488-G490 PolarHBondContact O-N 3.04Å; Q488-Q491 HydrophobicContact CB-CB 4.04Å; Q488-Q491 PolarHBondContact O-N 2.9Å; Q488-F535 WeakPolarHBondContact O-CD1 3.49Å
489V98.8Very high98.5Very high49 Ų4960 Ų6030%0.29731%0.307SS..THydrogen-bonded Turntrans-60.1130.2171.6175.90000109.5T444 F446 L460 Q491 T536 P539T444-V489 HydrophobicContact CG2-CG1 3.73Å; T444-V489 HydrophobicContact CG2-CG2 4.25Å; F446-V489 HydrophobicContact CE1-CG2 3.84Å; F446-V489 HydrophobicContact CZ-CG2 3.71Å; L460-V489 HydrophobicContact CB-CG2 4.46Å; L460-V489 HydrophobicContact CD1-CG2 4.5Å; V489-Q491 VanDerWaalsContact C-N 3.32Å; V489-T536 HydrophobicContact CG1-CG2 4.48Å; V489-P539 HydrophobicContact CG1-CG 3.71Å
490G98.6Very high98.4Very high20 Ų2065 Ų6521%0.20633%0.333CS..THydrogen-bonded Turntrans78.89.9179.900000115.1Q488 T536 D541Q488-G490 PolarHBondContact O-N 3.04Å; G490-T536 VanDerWaalsContact CA-OG1 3.29Å; G490-T536 WeakPolarHBondContact CA-OG1 3.37Å; G490-T536 PolarHBondContact N-OG1 2.92Å; G490-D541 VanDerWaalsContact O-CB 3.26Å; G490-D541 WeakPolarHBondContact O-CB 3.46Å
491Q98.8Very high98.4Very high72 Ų7262.8 Ų62.834%0.33632%0.322SS..  trans-112.6117.7176.1-174.4-174.871.700110.6Q488 V489Q488-Q491 HydrophobicContact CB-CB 4.04Å; Q488-Q491 PolarHBondContact O-N 2.9Å; V489-Q491 VanDerWaalsContact C-N 3.32Å
492A98.9Very high98.4Very high3 Ų364.5 Ų64.53%0.02533%0.331CS..  trans-88.1172.8175.400000111.5L532 D533 P534 D541 L544A492-L532 HydrophobicContact CB-CD2 3.9Å; A492-L532 HydrophobicContact CB-CG 4.39Å; A492-D533 CarbonylContact C-O 3.06Å; A492-D533 WeakPolarHBondContact CA-O 3.32Å; A492-D533 WeakPolarHBondContact CB-O 3.28Å; A492-P534 WeakPolarHBondContact CA-O 3.44Å; A492-D541 HydrophobicContact CB-CB 3.61Å; A492-D541 PolarHBondContact N-OD2 3.31Å; A492-L544 VanDerWaalsContact C-CD2 3.49Å; A492-L544 HydrophobicContact CB-CD2 3.89Å; A492-L544 VanDerWaalsContact O-CD2 3.23Å; A492-L544 WeakPolarHBondContact O-CD2 3.44Å
493K98.9Very high98.4Very high28 Ų2860.1 Ų60.112%0.12231%0.307CS..EExtended strand (participates in β ladder)trans-130.1130.2-179.6-62.2-67-178.2169.70111.2Y481 E485 D486 F487 V495 L532 D533Y481-K493 HydrophobicContact CE1-CB 3.99Å; Y481-K493 HydrophobicContact CE1-CG 3.98Å; Y481-K493 VanDerWaalsContact OH-CB 3.32Å; Y481-K493 WeakPolarHBondContact OH-CB 3.45Å; E485-K493 IonicContact OE1-NZ 3.31Å; E485-K493 PolarHBondContact OE1-NZ 3.39Å; D486-K493 WeakPolarHBondContact O-CE 3.44Å; D486-K493 PolarHBondContact O-NZ 3.33Å; F487-K493 HydrophobicContact CE1-CG 4.25Å; K493-V495 HydrophobicContact CB-CG1 4.23Å; K493-V495 PolarHBondContact O-N 2.86Å; K493-L532 CarbonylContact O-C 3.59Å; K493-L532 WeakPolarHBondContact O-CA 3.4Å; K493-D533 HydrophobicContact CB-CB 4.48Å; K493-D533 PolarHBondContact N-O 3.5Å; K493-D533 PolarHBondContact O-N 3.31Å
494V98.8Very high98.5Very high42 Ų4258 Ų5826%0.25530%0.296SS..EExtended strand (participates in β ladder)trans-86.7105.9166.8177.30000108K497 R530 L532 L544V494-K497 HydrophobicContact CG1-CB 3.8Å; V494-K497 HydrophobicContact CG1-CD 4.04Å; V494-K497 HydrophobicContact CG1-CG 4.17Å; V494-R530 HydrophobicContact CG1-CG 3.77Å; V494-L532 HydrophobicContact CG2-CD1 4.27Å; V494-L544 HydrophobicContact CG2-CD1 4.06Å; V494-L544 HydrophobicContact CG2-CD2 4.13Å; V494-L544 HydrophobicContact CG2-CG 4.16Å
495V98.6Very high98.5Very high43 Ų4352.4 Ų52.426%0.26127%0.266SS..EExtended strand (participates in β ladder)trans-92.3-19.4-173.9-61.90000113.2I480 Y481 K493 L512 L516 V531 D533I480-V495 HydrophobicContact CD1-CG1 4.12Å; Y481-V495 HydrophobicContact CE1-CG1 3.83Å; Y481-V495 WeakPolarHBondContact OH-CG1 3.48Å; K493-V495 HydrophobicContact CB-CG1 4.23Å; K493-V495 PolarHBondContact O-N 2.86Å; V495-L512 HydrophobicContact CG2-CD1 4.02Å; V495-L516 HydrophobicContact CG2-CD2 4.13Å; V495-V531 HydrophobicContact CG2-CB 3.93Å; V495-V531 HydrophobicContact CG2-CG1 3.72Å; V495-V531 WeakPolarHBondContact CG2-O 3.47Å; V495-V531 PolarHBondContact N-O 2.81Å; V495-D533 HydrophobicContact CG1-CB 4.14Å
496L98.8Very high98.5Very high59 Ų5949.6 Ų49.631%0.30925%0.253SS..EExtended strand (participates in β ladder)trans-142.4133.4172-174.868.6000109.7L516 A519 R530 V531L496-L516 HydrophobicContact CB-CD2 4Å; L496-L516 HydrophobicContact CD2-CD2 4.35Å; L496-A519 HydrophobicContact CD2-CB 3.34Å; L496-R530 CarbonylContact O-C 3.53Å; L496-R530 WeakPolarHBondContact O-CA 3.33Å; L496-R530 WeakPolarHBondContact O-CG 3.45Å; L496-V531 HydrophobicContact CB-CB 3.9Å; L496-V531 HydrophobicContact CB-CG2 4.03Å; L496-V531 HydrophobicContact CD2-CG2 4.02Å; L496-V531 PolarHBondContact N-O 3.18Å; L496-V531 PolarHBondContact O-N 3.05Å
497K98.5Very high98.6Very high148 Ų14845.3 Ų45.364%0.64323%0.23SC*.  trans-155.5155.3175.662.2179-177.2177.30112.6V494 D501 R530V494-K497 HydrophobicContact CG1-CB 3.8Å; V494-K497 HydrophobicContact CG1-CD 4.04Å; V494-K497 HydrophobicContact CG1-CG 4.17Å; K497-D501 WeakPolarHBondContact CA-OD2 3.37Å; K497-R530 HydrophobicContact CB-CG 4.44Å
498S98.1Very high98.6Very high39 Ų3945.1 Ų45.127%0.27323%0.229SC..  trans-139.3-178.6167.581.30000110.4D500 D501 N528S498-D500 PolarHBondContact OG-N 3.33Å; S498-D501 WeakPolarHBondContact CA-OD1 3.49Å; S498-D501 VanDerWaalsContact CB-OD1 3.28Å; S498-D501 WeakPolarHBondContact CB-OD1 3.44Å; S498-D501 PolarHBondContact N-OD1 3.12Å; S498-D501 PolarHBondContact N-OD2 3.47Å; S498-D501 VanDerWaalsContact O-OD2 3.04Å; S498-D501 PolarHBondContact OG-N 2.9Å; S498-D501 PolarHBondContact OG-OD1 3.49Å; S498-N528 WeakPolarHBondContact OG-CB 3.29Å; S498-N528 PolarHBondContact OG-ND2 2.81Å
499K96.3Very high98.6Very high200 Ų20041 Ų4187%0.8721%0.21SC*.SBendtrans-76.3-24.6174-70.5-173.1177.5-179.30112.9
500D97.3Very high98.6Very high107 Ų10739 Ų3957%0.57220%0.197SC*.SBendtrans-110.518.5-169.4-57.5-57.9000113.2S498 Q502 K553S498-D500 PolarHBondContact OG-N 3.33Å; D500-Q502 PolarHBondContact O-N 2.69Å; D500-Q502 PolarHBondContact O-NE2 3.02Å; D500-K553 PolarHBondContact O-NZ 3.17Å
501D98.6Very high98.6Very high1 Ų138 Ų381%0.00519%0.188CC..  trans-54.4125-177.8-66.9-19.7000112.1K497 S498 N528 R530 T552 K553K497-D501 WeakPolarHBondContact CA-OD2 3.37Å; S498-D501 WeakPolarHBondContact CA-OD1 3.49Å; S498-D501 VanDerWaalsContact CB-OD1 3.28Å; S498-D501 WeakPolarHBondContact CB-OD1 3.44Å; S498-D501 PolarHBondContact N-OD1 3.12Å; S498-D501 PolarHBondContact N-OD2 3.47Å; S498-D501 VanDerWaalsContact O-OD2 3.04Å; S498-D501 PolarHBondContact OG-N 2.9Å; S498-D501 PolarHBondContact OG-OD1 3.49Å; D501-N528 CarbonylContact C-O 3.6Å; D501-N528 WeakPolarHBondContact CA-O 3.35Å; D501-R530 HydrophobicContact CB-CB 4.11Å; D501-R530 WeakPolarHBondContact OD2-CB 3.28Å; D501-R530 IonicContact OD2-CZ 2.78Å; D501-R530 IonicContact OD2-NE 3.2Å; D501-R530 PolarHBondContact OD2-NE 2.83Å; D501-R530 VanDerWaalsContact OD2-NE 3.09Å; D501-R530 IonicContact OD2-NH2 3.18Å; D501-R530 PolarHBondContact OD2-NH2 2.89Å; D501-T552 HydrophobicContact CB-CG2 3.53Å; D501-T552 WeakPolarHBondContact O-CA 3.29Å; D501-K553 WeakPolarHBondContact O-CD 3.42Å; D501-K553 PolarHBondContact O-NZ 3.45Å
502Q98.6Very high98.6Very high51 Ų5134.6 Ų34.624%0.23817%0.172CC..  trans-87.9-31.1-173.2-65.9-60-52.300113.9D500 I527 N528 R555 I620D500-Q502 PolarHBondContact O-N 2.69Å; D500-Q502 PolarHBondContact O-NE2 3.02Å; Q502-I527 HydrophobicContact CB-CG2 4.4Å; Q502-I527 HydrophobicContact CG-CG2 4.25Å; Q502-N528 PolarHBondContact N-O 3.41Å; Q502-R555 WeakPolarHBondContact O-CD 3.41Å; Q502-R555 PolarHBondContact O-NH1 2.85Å; Q502-I620 HydrophobicContact CB-CD1 3.6Å; Q502-I620 HydrophobicContact CB-CG1 3.89Å; Q502-I620 HydrophobicContact CG-CD1 3.91Å; Q502-I620 HydrophobicContact CG-CG1 4.4Å
503V98.8Very high98.6Very high0 Ų035.5 Ų35.50%018%0.175CC..  trans-145.7142-177.5-178.20000108.4V505 I529 R530 R555 L557 V616 L619 I620V503-V505 HydrophobicContact CG1-CG2 4.32Å; V503-I529 HydrophobicContact CB-CG2 4.45Å; V503-R530 PolarHBondContact O-N 3.29Å; V503-R555 HydrophobicContact CB-CB 4.39Å; V503-R555 HydrophobicContact CG1-CB 4.18Å; V503-R555 HydrophobicContact CG2-CB 4.06Å; V503-L557 HydrophobicContact CG1-CB 3.88Å; V503-V616 HydrophobicContact CG2-CG1 4.09Å; V503-L619 HydrophobicContact CG1-CD1 4.19Å; V503-L619 HydrophobicContact CG2-CB 4.31Å; V503-L619 HydrophobicContact CG2-CD1 4.41Å; V503-I620 HydrophobicContact CG2-CG1 4.42Å
504T98.9Very high98.6Very high0 Ų036.2 Ų36.20%018%0.179CC..EExtended strand (participates in β ladder)trans-88.3111.9165.3-68.10000108.6I506 R530 L532 S548 T552 R555 I556 L557T504-I506 HydrophobicContact CG2-CG1 4.11Å; T504-R530 CarbonylContact C-O 3.41Å; T504-L532 HydrophobicContact CG2-CB 4.33Å; T504-S548 VanDerWaalsContact OG1-C 3.25Å; T504-S548 PolarHBondContact OG1-O 2.8Å; T504-T552 WeakPolarHBondContact CB-OG1 3.39Å; T504-T552 PolarHBondContact N-OG1 3.01Å; T504-T552 VanDerWaalsContact N-OG1 3.07Å; T504-T552 WeakPolarHBondContact OG1-CG2 3.44Å; T504-T552 PolarHBondContact OG1-OG1 3.23Å; T504-R555 PolarHBondContact N-O 2.87Å; T504-I556 CarbonylContact O-C 3.33Å; T504-I556 WeakPolarHBondContact O-CA 3.37Å; T504-L557 PolarHBondContact O-N 2.89Å
505V98.9Very high98.6Very high0 Ų034.2 Ų34.20%017%0.167CC..EExtended strand (participates in β ladder)trans-95123.1175.1-175.10000109V503 A515 I529 R530 V531 L532 L557 V559 I612 V616V503-V505 HydrophobicContact CG1-CG2 4.32Å; V505-A515 HydrophobicContact CG1-CB 3.77Å; V505-I529 HydrophobicContact CB-CD1 4.36Å; V505-I529 HydrophobicContact CG2-CB 4.19Å; V505-I529 HydrophobicContact CG2-CD1 3.74Å; V505-I529 HydrophobicContact CG2-CG2 4.38Å; V505-R530 PolarHBondContact N-O 2.75Å; V505-V531 WeakPolarHBondContact O-CA 3.2Å; V505-L532 PolarHBondContact O-N 3.2Å; V505-L557 CarbonylContact C-O 3.31Å; V505-L557 VanDerWaalsContact CA-O 3.28Å; V505-L557 WeakPolarHBondContact CA-O 3.46Å; V505-L557 HydrophobicContact CG2-CB 4.34Å; V505-L557 HydrophobicContact CG2-CD2 4.25Å; V505-V559 HydrophobicContact CG1-CG1 4.07Å; V505-I612 HydrophobicContact CG1-CG2 4.07Å; V505-I612 HydrophobicContact CG2-CG2 4.49Å; V505-V616 HydrophobicContact CG2-CG2 4.02Å
506I98.9Very high98.6Very high0 Ų034.1 Ų34.10%017%0.165CC..EExtended strand (participates in β ladder)trans-108.4114.5178.8-53.5179.9000107.9T504 L532 P534 I545 I556 L557 T558 V559 I568 V572T504-I506 HydrophobicContact CG2-CG1 4.11Å; I506-L532 WeakPolarHBondContact CA-O 3.18Å; I506-L532 HydrophobicContact CG1-CB 4.35Å; I506-L532 HydrophobicContact CG1-CD2 4.25Å; I506-L532 HydrophobicContact CG2-CD2 4.01Å; I506-P534 HydrophobicContact CG2-CG 3.53Å; I506-I545 HydrophobicContact CD1-CD1 4.36Å; I506-I545 HydrophobicContact CD1-CG1 4.07Å; I506-I545 HydrophobicContact CD1-CG2 4.04Å; I506-I556 HydrophobicContact CD1-CG2 3.64Å; I506-I556 HydrophobicContact CG1-CG2 4.13Å; I506-L557 PolarHBondContact N-O 2.85Å; I506-T558 HydrophobicContact CB-CG2 4.32Å; I506-T558 HydrophobicContact CD1-CG2 4.46Å; I506-T558 WeakPolarHBondContact O-CA 3.27Å; I506-V559 PolarHBondContact O-N 3.19Å; I506-I568 HydrophobicContact CG2-CG2 4.3Å; I506-V572 HydrophobicContact CD1-CG1 4.13Å; I506-V572 HydrophobicContact CD1-CG2 4.01Å
507G98.9Very high98.6Very high0 Ų033 Ų330%016%0.164CC..EExtended strand (participates in β ladder)trans-133.1162.4176.800000110.7L532 P534G507-L532 PolarHBondContact N-O 3.2Å; G507-P534 WeakPolarHBondContact O-CD 3.35Å
508A98.9Very high98.6Very high0 Ų025.9 Ų25.90%013%0.133CC..  trans-148.7147179.400000110.9Y447 V510 T511 I568Y447-A508 HydrophobicContact CD1-CB 3.32Å; Y447-A508 HydrophobicContact CE1-CB 3.56Å; Y447-A508 HydrophobicContact CG-CB 3.92Å; Y447-A508 PolarHBondContact OH-O 2.93Å; A508-V510 PolarHBondContact O-N 2.89Å; A508-T511 PolarHBondContact N-OG1 2.8Å; A508-T511 PolarHBondContact O-N 2.86Å; A508-T511 PolarHBondContact O-OG1 2.85Å; A508-T511 VanDerWaalsContact O-OG1 3.07Å; A508-I568 HydrophobicContact CB-CD1 3.74Å
509G98.8Very high98.6Very high0 Ų024.4 Ų24.40%012%0.123CC..THydrogen-bonded Turntrans57.5-129.6-172.700000110.6S449 T511 L512 H513S449-G509 PolarHBondContact OG-N 3.26Å; G509-T511 VanDerWaalsContact C-N 3.28Å; G509-T511 PolarHBondContact O-N 2.94Å; G509-L512 WeakPolarHBondContact O-CB 3.45Å; G509-L512 PolarHBondContact O-N 3.41Å; G509-H513 PolarHBondContact O-CD2 2.81Å; G509-H513 VanDerWaalsContact O-CD2 3.23Å
510V98.8Very high98.7Very high5 Ų519.9 Ų19.93%0.0311%0.105CC..Hα-helixtrans-57.4-36.3-179.7-62.60000113.4P475 A508 L512 H513 E514 D561 L602P475-V510 HydrophobicContact CG-CG1 4.1Å; A508-V510 PolarHBondContact O-N 2.89Å; V510-L512 VanDerWaalsContact C-N 3.3Å; V510-L512 PolarHBondContact O-N 3.05Å; V510-H513 PolarHBondContact O-N 3.07Å; V510-E514 PolarHBondContact O-N 2.96Å; V510-D561 HydrophobicContact CG2-CB 3.85Å; V510-L602 HydrophobicContact CG2-CD2 4.28Å
511T98.9Very high98.8Very high0 Ų017.2 Ų17.20%09%0.09CC..Hα-helixtrans-75.6-19.3-176.5650000113A508 G509 A515 V559 D561A508-T511 PolarHBondContact N-OG1 2.8Å; A508-T511 PolarHBondContact O-N 2.86Å; A508-T511 PolarHBondContact O-OG1 2.85Å; A508-T511 VanDerWaalsContact O-OG1 3.07Å; G509-T511 VanDerWaalsContact C-N 3.28Å; G509-T511 PolarHBondContact O-N 2.94Å; T511-A515 WeakPolarHBondContact O-CB 3.37Å; T511-A515 PolarHBondContact O-N 3Å; T511-V559 WeakPolarHBondContact CB-O 3.49Å; T511-V559 HydrophobicContact CG2-CG2 4.08Å; T511-V559 PolarHBondContact OG1-O 2.83Å; T511-D561 HydrophobicContact CG2-CB 4.11Å
512L98.9Very high98.8Very high0 Ų017.2 Ų17.20%09%0.09CC..Hα-helixtrans-66.1-44.2169-174.772.1000110.8I480 V495 G509 V510 A515 L516 V531 D533I480-L512 HydrophobicContact CD1-CD2 3.66Å; V495-L512 HydrophobicContact CG2-CD1 4.02Å; G509-L512 WeakPolarHBondContact O-CB 3.45Å; G509-L512 PolarHBondContact O-N 3.41Å; V510-L512 VanDerWaalsContact C-N 3.3Å; V510-L512 PolarHBondContact O-N 3.05Å; L512-A515 WeakPolarHBondContact O-CB 3.5Å; L512-A515 PolarHBondContact O-N 3.39Å; L512-L516 WeakPolarHBondContact O-CG 3.48Å; L512-L516 PolarHBondContact O-N 2.71Å; L512-V531 HydrophobicContact CD1-CG1 3.59Å; L512-D533 HydrophobicContact CD1-CB 3.82Å; L512-D533 HydrophobicContact CD2-CB 3.67Å; L512-D533 HydrophobicContact CG-CB 4.41Å
513H98.9Very high98.7Very high23 Ų2320.7 Ų20.711%0.10610%0.104CC..Hα-helixtrans-67.4-38.7177.7-65.5-78.7000111.5S449 N477 A478 G509 V510 A515 L516 A517S449-H513 PolarHBondContact O-NE2 2.95Å; N477-H513 VanDerWaalsContact CB-CD2 3.41Å; N477-H513 WeakPolarHBondContact CB-CD2 3.38Å; N477-H513 VanDerWaalsContact CB-NE2 3.34Å; N477-H513 WeakPolarHBondContact CB-NE2 3.45Å; N477-H513 PolarHBondContact ND2-CD2 3.42Å; A478-H513 PolarHBondContact O-CE1 3.12Å; G509-H513 PolarHBondContact O-CD2 2.81Å; G509-H513 VanDerWaalsContact O-CD2 3.23Å; V510-H513 PolarHBondContact O-N 3.07Å; H513-A515 VanDerWaalsContact C-N 3.33Å; H513-A515 PolarHBondContact O-N 3.07Å; H513-L516 PolarHBondContact O-N 3.27Å; H513-A517 WeakPolarHBondContact O-CB 3.19Å; H513-A517 PolarHBondContact O-N 3.31Å
514E98.9Very high98.6Very high43 Ų4328.7 Ų28.720%0.20114%0.139CC..Hα-helixtrans-63.6-36.5171.4-67.5-59.613300112.2V510 A517 A518 L602 K609 I612V510-E514 PolarHBondContact O-N 2.96Å; E514-A517 PolarHBondContact O-N 3.03Å; E514-A518 WeakPolarHBondContact O-CB 3.37Å; E514-A518 PolarHBondContact O-N 3.16Å; E514-L602 HydrophobicContact CG-CD1 4.19Å; E514-K609 WeakPolarHBondContact O-CB 3.43Å; E514-K609 WeakPolarHBondContact OE2-CB 3.38Å; E514-K609 PolarHBondContact OE2-N 3.33Å; E514-I612 HydrophobicContact CB-CD1 3.91Å
515A98.9Very high98.5Very high0 Ų033.7 Ų33.70%016%0.163CC..Hα-helixtrans-67-39.9174.900000112.7V505 T511 L512 H513 A517 A518 A519 V531 I612V505-A515 HydrophobicContact CG1-CB 3.77Å; T511-A515 WeakPolarHBondContact O-CB 3.37Å; T511-A515 PolarHBondContact O-N 3Å; L512-A515 WeakPolarHBondContact O-CB 3.5Å; L512-A515 PolarHBondContact O-N 3.39Å; H513-A515 VanDerWaalsContact C-N 3.33Å; H513-A515 PolarHBondContact O-N 3.07Å; A515-A517 VanDerWaalsContact C-N 3.35Å; A515-A518 PolarHBondContact O-N 2.73Å; A515-A519 PolarHBondContact O-N 3.2Å; A515-V531 HydrophobicContact CB-CG1 3.9Å; A515-V531 HydrophobicContact CB-CG2 4.41Å; A515-I612 HydrophobicContact CB-CD1 4.21Å
516L98.9Very high98.5Very high41 Ų4142.9 Ų42.922%0.21520%0.203CC..Hα-helixtrans-63.3-41.5172-70.2171.9000111.3I480 V495 L496 L512 H513 A519 E520 V531I480-L516 HydrophobicContact CG2-CD1 4.28Å; V495-L516 HydrophobicContact CG2-CD2 4.13Å; L496-L516 HydrophobicContact CB-CD2 4Å; L496-L516 HydrophobicContact CD2-CD2 4.35Å; L512-L516 WeakPolarHBondContact O-CG 3.48Å; L512-L516 PolarHBondContact O-N 2.71Å; H513-L516 PolarHBondContact O-N 3.27Å; L516-A519 WeakPolarHBondContact O-CB 3.41Å; L516-A519 PolarHBondContact O-N 3.22Å; L516-E520 PolarHBondContact O-N 3.29Å; L516-V531 HydrophobicContact CD2-CB 4.25Å; L516-V531 HydrophobicContact CD2-CG1 4.24Å; L516-V531 HydrophobicContact CD2-CG2 4.32Å; L516-V531 HydrophobicContact CG-CG1 4.4Å
517A98.8Very high98.4Very high34 Ų3444.3 Ų44.328%0.28121%0.21SC..Hα-helixtrans-65.4-37.9174.700000112.3H513 E514 A515 A519 E520 L521 K609H513-A517 WeakPolarHBondContact O-CB 3.19Å; H513-A517 PolarHBondContact O-N 3.31Å; E514-A517 PolarHBondContact O-N 3.03Å; A515-A517 VanDerWaalsContact C-N 3.35Å; A517-A519 VanDerWaalsContact C-N 3.32Å; A517-A519 PolarHBondContact O-N 2.76Å; A517-E520 PolarHBondContact O-N 3.09Å; A517-L521 PolarHBondContact O-N 2.72Å; A517-K609 HydrophobicContact CB-CB 3.97Å; A517-K609 HydrophobicContact CB-CD 3.86Å
518A98.8Very high98.4Very high0 Ų046.9 Ų46.90%022%0.224CC..Hα-helixtrans-63.8-37.6173.900000111.7E514 A515 E520 L521 L522 K609 I612 A613E514-A518 WeakPolarHBondContact O-CB 3.37Å; E514-A518 PolarHBondContact O-N 3.16Å; A515-A518 PolarHBondContact O-N 2.73Å; A518-E520 VanDerWaalsContact C-N 3.32Å; A518-E520 PolarHBondContact O-N 3.48Å; A518-L521 WeakPolarHBondContact O-CB 3.22Å; A518-L521 PolarHBondContact O-N 2.75Å; A518-L521 VanDerWaalsContact O-N 3.16Å; A518-L522 WeakPolarHBondContact O-CB 3.31Å; A518-L522 VanDerWaalsContact O-CG 3.32Å; A518-L522 WeakPolarHBondContact O-CG 3.42Å; A518-L522 PolarHBondContact O-N 2.66Å; A518-K609 HydrophobicContact CB-CB 4.1Å; A518-K609 WeakPolarHBondContact CB-O 3.45Å; A518-I612 HydrophobicContact CB-CB 3.83Å; A518-I612 HydrophobicContact CB-CG2 3.62Å; A518-A613 HydrophobicContact CB-CB 4.49Å
519A98.8Very high98.4Very high7 Ų747 Ų476%0.05823%0.225CC..Hα-helixtrans-59.6-42.6175.100000111.8L496 A515 L516 A517 L521 L522 K523 I529L496-A519 HydrophobicContact CD2-CB 3.34Å; A515-A519 PolarHBondContact O-N 3.2Å; L516-A519 WeakPolarHBondContact O-CB 3.41Å; L516-A519 PolarHBondContact O-N 3.22Å; A517-A519 VanDerWaalsContact C-N 3.32Å; A517-A519 PolarHBondContact O-N 2.76Å; A519-L521 VanDerWaalsContact C-N 3.32Å; A519-L521 PolarHBondContact O-N 2.97Å; A519-L522 PolarHBondContact O-N 3.22Å; A519-K523 VanDerWaalsContact O-CB 3.31Å; A519-K523 WeakPolarHBondContact O-CB 3.31Å; A519-K523 PolarHBondContact O-N 3.43Å; A519-I529 HydrophobicContact CB-CD1 3.81Å; A519-I529 HydrophobicContact CB-CG1 3.66Å
520E98.4Very high98.4Very high106 Ų10648.7 Ų48.750%0.49523%0.231SC..Hα-helixtrans-66.8-31.3175.9-71.3-58.313400113.1L516 A517 A518L516-E520 PolarHBondContact O-N 3.29Å; A517-E520 PolarHBondContact O-N 3.09Å; A518-E520 VanDerWaalsContact C-N 3.32Å; A518-E520 PolarHBondContact O-N 3.48Å
521L98.3Very high98.4Very high51 Ų5148.5 Ų48.527%0.26723%0.229SC..Hα-helixtrans-68.1-49.9171.5-66.1178.9000111.3A517 A518 A519 K523 K524 K609A517-L521 PolarHBondContact O-N 2.72Å; A518-L521 WeakPolarHBondContact O-CB 3.22Å; A518-L521 PolarHBondContact O-N 2.75Å; A518-L521 VanDerWaalsContact O-N 3.16Å; A519-L521 VanDerWaalsContact C-N 3.32Å; A519-L521 PolarHBondContact O-N 2.97Å; L521-K523 VanDerWaalsContact C-N 3.3Å; L521-K523 PolarHBondContact O-N 3.11Å; L521-K524 WeakPolarHBondContact O-CB 3.38Å; L521-K524 PolarHBondContact O-N 3.12Å; L521-K609 HydrophobicContact CD1-CB 4.36Å; L521-K609 HydrophobicContact CD1-CD 4.04Å; L521-K609 HydrophobicContact CD1-CG 3.93Å
522L98.4Very high98.4Very high0 Ų048.5 Ų48.50%023%0.229CC..Hα-helixtrans-65.8-30.7-177.6-72.7167.5000113.1A518 A519 K524 E525 K526 I527 I529 A613 V616 K617A518-L522 WeakPolarHBondContact O-CB 3.31Å; A518-L522 VanDerWaalsContact O-CG 3.32Å; A518-L522 WeakPolarHBondContact O-CG 3.42Å; A518-L522 PolarHBondContact O-N 2.66Å; A519-L522 PolarHBondContact O-N 3.22Å; L522-K524 PolarHBondContact O-N 3.27Å; L522-E525 CarbonylContact O-C 3.54Å; L522-E525 WeakPolarHBondContact O-CA 3.35Å; L522-E525 PolarHBondContact O-N 2.95Å; L522-K526 PolarHBondContact O-N 2.99Å; L522-I527 CarbonylContact C-O 3.58Å; L522-I527 VanDerWaalsContact C-O 3.31Å; L522-I527 HydrophobicContact CB-CB 4.12Å; L522-I527 HydrophobicContact CB-CG2 4.29Å; L522-I527 WeakPolarHBondContact CB-O 3.19Å; L522-I527 HydrophobicContact CD2-CB 4.3Å; L522-I527 HydrophobicContact CD2-CD1 4.26Å; L522-I527 HydrophobicContact CD2-CG2 4.2Å; L522-I527 PolarHBondContact O-N 3.23Å; L522-I529 HydrophobicContact CD1-CD1 4.08Å; L522-I529 HydrophobicContact CD1-CG1 4.37Å; L522-I529 HydrophobicContact CD1-CG2 3.8Å; L522-A613 HydrophobicContact CD1-CB 4.46Å; L522-A613 HydrophobicContact CD2-CB 4.08Å; L522-A613 HydrophobicContact CG-CB 4.04Å; L522-V616 HydrophobicContact CD1-CB 3.97Å; L522-V616 HydrophobicContact CD1-CG1 3.81Å; L522-V616 HydrophobicContact CD1-CG2 4.14Å; L522-V616 HydrophobicContact CD2-CG1 4.31Å; L522-K617 HydrophobicContact CD2-CG 4.07Å
523K97.1Very high98.4Very high124 Ų12448.5 Ų48.554%0.53923%0.229SC..Hα-helixtrans-58.7-32.5175.4-171.7176.4-178.7-178.90112.8A519 L521 E525 K526A519-K523 VanDerWaalsContact O-CB 3.31Å; A519-K523 WeakPolarHBondContact O-CB 3.31Å; A519-K523 PolarHBondContact O-N 3.43Å; L521-K523 VanDerWaalsContact C-N 3.3Å; L521-K523 PolarHBondContact O-N 3.11Å; K523-E525 PolarHBondContact O-N 3.37Å; K523-K526 PolarHBondContact O-N 3.26Å
524K96.9Very high98.4Very high169 Ų16947.4 Ų47.474%0.73522%0.224SC*.THydrogen-bonded Turntrans-64-24.1174.8-59.4174.4-175.7175.80112.3L521 L522L521-K524 WeakPolarHBondContact O-CB 3.38Å; L521-K524 PolarHBondContact O-N 3.12Å; L522-K524 PolarHBondContact O-N 3.27Å
525E96.7Very high98.4Very high104 Ų10445.3 Ų45.349%0.48622%0.215SC..THydrogen-bonded Turntrans-102.312.3177.2-64.7175.2-130.100112.1L522 K523 I527 K617L522-E525 CarbonylContact O-C 3.54Å; L522-E525 WeakPolarHBondContact O-CA 3.35Å; L522-E525 PolarHBondContact O-N 2.95Å; K523-E525 PolarHBondContact O-N 3.37Å; E525-I527 HydrophobicContact CB-CD1 4.42Å; E525-I527 PolarHBondContact O-N 3.36Å; E525-K617 WeakPolarHBondContact OE1-CE 3.24Å; E525-K617 IonicContact OE1-NZ 3.66Å; E525-K617 PolarHBondContact OE1-NZ 3.49Å; E525-K617 WeakPolarHBondContact OE2-CE 3.28Å; E525-K617 IonicContact OE2-NZ 2.7Å; E525-K617 PolarHBondContact OE2-NZ 3.3Å
526K97.6Very high98.4Very high194 Ų19445.3 Ų45.384%0.84322%0.215SC*.THydrogen-bonded Turntrans59.228.3-178.8-52.8179.1-179.4178.20113.6L522 K523L522-K526 PolarHBondContact O-N 2.99Å; K523-K526 PolarHBondContact O-N 3.26Å
527I98.3Very high98.4Very high29 Ų2943.5 Ų43.515%0.14921%0.205CC..  trans-102.3116.7173.2-64.2168.7000108.1Q502 L522 E525 V616 K617 I620Q502-I527 HydrophobicContact CB-CG2 4.4Å; Q502-I527 HydrophobicContact CG-CG2 4.25Å; L522-I527 CarbonylContact C-O 3.58Å; L522-I527 VanDerWaalsContact C-O 3.31Å; L522-I527 HydrophobicContact CB-CB 4.12Å; L522-I527 HydrophobicContact CB-CG2 4.29Å; L522-I527 WeakPolarHBondContact CB-O 3.19Å; L522-I527 HydrophobicContact CD2-CB 4.3Å; L522-I527 HydrophobicContact CD2-CD1 4.26Å; L522-I527 HydrophobicContact CD2-CG2 4.2Å; L522-I527 PolarHBondContact O-N 3.23Å; E525-I527 HydrophobicContact CB-CD1 4.42Å; E525-I527 PolarHBondContact O-N 3.36Å; I527-V616 HydrophobicContact CG2-CG1 4Å; I527-K617 HydrophobicContact CD1-CG 4.18Å; I527-I620 HydrophobicContact CD1-CD1 4.12Å; I527-I620 HydrophobicContact CG1-CD1 4.28Å; I527-I620 HydrophobicContact CG2-CD1 3.47Å; I527-I620 VanDerWaalsContact CG2-CD1 3.47Å
528N98.5Very high98.4Very high54 Ų5444.4 Ų44.429%0.28920%0.203SC..  trans-93.4140.7173.2-63.2-18.6000109.8S498 D501 Q502S498-N528 WeakPolarHBondContact OG-CB 3.29Å; S498-N528 PolarHBondContact OG-ND2 2.81Å; D501-N528 CarbonylContact C-O 3.6Å; D501-N528 WeakPolarHBondContact CA-O 3.35Å; Q502-N528 PolarHBondContact N-O 3.41Å
529I98.8Very high98.4Very high4 Ų447.4 Ų47.42%0.02122%0.222CC..  trans-123.1148.7170.157.4167.4000110V503 V505 A519 L522 V531 V616V503-I529 HydrophobicContact CB-CG2 4.45Å; V505-I529 HydrophobicContact CB-CD1 4.36Å; V505-I529 HydrophobicContact CG2-CB 4.19Å; V505-I529 HydrophobicContact CG2-CD1 3.74Å; V505-I529 HydrophobicContact CG2-CG2 4.38Å; A519-I529 HydrophobicContact CB-CD1 3.81Å; A519-I529 HydrophobicContact CB-CG1 3.66Å; L522-I529 HydrophobicContact CD1-CD1 4.08Å; L522-I529 HydrophobicContact CD1-CG1 4.37Å; L522-I529 HydrophobicContact CD1-CG2 3.8Å; I529-V531 HydrophobicContact CD1-CG2 3.98Å; I529-V531 HydrophobicContact CG1-CG2 4.2Å; I529-V616 HydrophobicContact CG2-CG1 3.69Å; I529-V616 HydrophobicContact CG2-CG2 4.03Å
530R98.9Very high98.4Very high35 Ų3548.7 Ų48.713%0.13223%0.228CC..EExtended strand (participates in β ladder)trans-87.1133.2166.5-178.2162.1-66.3-170.96108.4V494 L496 K497 D501 V503 T504 V505 T552V494-R530 HydrophobicContact CG1-CG 3.77Å; L496-R530 CarbonylContact O-C 3.53Å; L496-R530 WeakPolarHBondContact O-CA 3.33Å; L496-R530 WeakPolarHBondContact O-CG 3.45Å; K497-R530 HydrophobicContact CB-CG 4.44Å; D501-R530 HydrophobicContact CB-CB 4.11Å; D501-R530 WeakPolarHBondContact OD2-CB 3.28Å; D501-R530 IonicContact OD2-CZ 2.78Å; D501-R530 IonicContact OD2-NE 3.2Å; D501-R530 PolarHBondContact OD2-NE 2.83Å; D501-R530 VanDerWaalsContact OD2-NE 3.09Å; D501-R530 IonicContact OD2-NH2 3.18Å; D501-R530 PolarHBondContact OD2-NH2 2.89Å; V503-R530 PolarHBondContact O-N 3.29Å; T504-R530 CarbonylContact C-O 3.41Å; V505-R530 PolarHBondContact N-O 2.75Å; R530-T552 HydrophobicContact CB-CG2 3.78Å
531V98.9Very high98.4Very high0 Ų044.8 Ų44.80%021%0.21CC..EExtended strand (participates in β ladder)trans-114.1127176.3-175.20000108.9V495 L496 V505 L512 A515 L516 I529V495-V531 HydrophobicContact CG2-CB 3.93Å; V495-V531 HydrophobicContact CG2-CG1 3.72Å; V495-V531 WeakPolarHBondContact CG2-O 3.47Å; V495-V531 PolarHBondContact N-O 2.81Å; L496-V531 HydrophobicContact CB-CB 3.9Å; L496-V531 HydrophobicContact CB-CG2 4.03Å; L496-V531 HydrophobicContact CD2-CG2 4.02Å; L496-V531 PolarHBondContact N-O 3.18Å; L496-V531 PolarHBondContact O-N 3.05Å; V505-V531 WeakPolarHBondContact O-CA 3.2Å; L512-V531 HydrophobicContact CD1-CG1 3.59Å; A515-V531 HydrophobicContact CB-CG1 3.9Å; A515-V531 HydrophobicContact CB-CG2 4.41Å; L516-V531 HydrophobicContact CD2-CB 4.25Å; L516-V531 HydrophobicContact CD2-CG1 4.24Å; L516-V531 HydrophobicContact CD2-CG2 4.32Å; L516-V531 HydrophobicContact CG-CG1 4.4Å; I529-V531 HydrophobicContact CD1-CG2 3.98Å; I529-V531 HydrophobicContact CG1-CG2 4.2Å
532L98.9Very high98.4Very high0 Ų047.3 Ų47.30%022%0.216CC..EExtended strand (participates in β ladder)trans-123129.2-176.9-176.3155.4000110A492 K493 V494 T504 V505 I506 G507 P534 L544 I545A492-L532 HydrophobicContact CB-CD2 3.9Å; A492-L532 HydrophobicContact CB-CG 4.39Å; K493-L532 CarbonylContact O-C 3.59Å; K493-L532 WeakPolarHBondContact O-CA 3.4Å; V494-L532 HydrophobicContact CG2-CD1 4.27Å; T504-L532 HydrophobicContact CG2-CB 4.33Å; V505-L532 PolarHBondContact O-N 3.2Å; I506-L532 WeakPolarHBondContact CA-O 3.18Å; I506-L532 HydrophobicContact CG1-CB 4.35Å; I506-L532 HydrophobicContact CG1-CD2 4.25Å; I506-L532 HydrophobicContact CG2-CD2 4.01Å; G507-L532 PolarHBondContact N-O 3.2Å; L532-P534 HydrophobicContact CD2-CG 4.36Å; L532-L544 HydrophobicContact CD1-CD2 4.35Å; L532-L544 HydrophobicContact CD1-CG 4.1Å; L532-I545 HydrophobicContact CD1-CG1 4.23Å; L532-I545 HydrophobicContact CD2-CG1 4.37Å
533D98.9Very high98.5Very high0 Ų054.1 Ų54.10%025%0.246CC..EExtended strand (participates in β ladder)trans-100.9114.8173.1-177.812.2000108.8S449 Y481 A492 K493 V495 L512 F535S449-D533 WeakPolarHBondContact CB-OD2 3.3Å; S449-D533 PolarHBondContact OG-OD1 2.79Å; S449-D533 PolarHBondContact OG-OD2 2.83Å; Y481-D533 VanDerWaalsContact OH-CB 3.28Å; Y481-D533 WeakPolarHBondContact OH-CB 3.37Å; Y481-D533 PolarHBondContact OH-OD2 2.75Å; A492-D533 CarbonylContact C-O 3.06Å; A492-D533 WeakPolarHBondContact CA-O 3.32Å; A492-D533 WeakPolarHBondContact CB-O 3.28Å; K493-D533 HydrophobicContact CB-CB 4.48Å; K493-D533 PolarHBondContact N-O 3.5Å; K493-D533 PolarHBondContact O-N 3.31Å; V495-D533 HydrophobicContact CG1-CB 4.14Å; L512-D533 HydrophobicContact CD1-CB 3.82Å; L512-D533 HydrophobicContact CD2-CB 3.67Å; L512-D533 HydrophobicContact CG-CB 4.41Å; D533-F535 PolarHBondContact O-N 3.33Å; D533-F535 PolarHBondContact OD1-N 3.32Å
534P98.9Very high98.5Very high0 Ų050.4 Ų50.40%023%0.232CC..  trans-62.1-28.6-178.3-27.135.9000114.6A492 I506 G507 L532 T536 I537 L540A492-P534 WeakPolarHBondContact CA-O 3.44Å; I506-P534 HydrophobicContact CG2-CG 3.53Å; G507-P534 WeakPolarHBondContact O-CD 3.35Å; L532-P534 HydrophobicContact CD2-CG 4.36Å; P534-T536 PolarHBondContact O-N 2.81Å; P534-I537 HydrophobicContact CB-CD1 3.81Å; P534-I537 HydrophobicContact CG-CD1 4.12Å; P534-L540 HydrophobicContact CB-CD1 4.28Å
535F98.9Very high98.6Very high0 Ų042.3 Ų42.30%020%0.197CC..SBendtrans59.1-59.4-166.8-179.8-116.5000114.5F446 Y447 A453 A457 L460 F487 Q488 D533F446-F535 HydrophobicContact CD1-CE1 4.09Å; F446-F535 AromaticContact CD1-CZ 3.96Å; F446-F535 HydrophobicContact CD1-CZ 3.96Å; F446-F535 HydrophobicContact CE1-CE1 4.14Å; F446-F535 HydrophobicContact CE1-CZ 4.22Å; Y447-F535 PolarHBondContact N-O 2.95Å; A453-F535 HydrophobicContact CB-CD2 4.27Å; A453-F535 HydrophobicContact CB-CE2 4.24Å; A457-F535 HydrophobicContact CB-CE2 4.22Å; A457-F535 HydrophobicContact CB-CZ 4.29Å; L460-F535 HydrophobicContact CD1-CE1 3.7Å; L460-F535 HydrophobicContact CD1-CZ 3.74Å; F487-F535 HydrophobicContact CB-CE1 3.95Å; F487-F535 HydrophobicContact CB-CE2 4.35Å; F487-F535 HydrophobicContact CB-CZ 3.82Å; F487-F535 HydrophobicContact CD1-CB 4.37Å; F487-F535 AromaticContact CD1-CD1 3.88Å; F487-F535 HydrophobicContact CD1-CD1 3.88Å; F487-F535 AromaticContact CD1-CD2 3.39Å; F487-F535 HydrophobicContact CD1-CD2 3.39Å; F487-F535 AromaticContact CD1-CE1 3.93Å; F487-F535 HydrophobicContact CD1-CE1 3.93Å; F487-F535 AromaticContact CD1-CE2 3.44Å; F487-F535 HydrophobicContact CD1-CE2 3.44Å; F487-F535 VanDerWaalsContact CD1-CE2 3.44Å; F487-F535 AromaticContact CD1-CG 3.61Å; F487-F535 HydrophobicContact CD1-CG 3.61Å; F487-F535 AromaticContact CD1-CZ 3.72Å; F487-F535 HydrophobicContact CD1-CZ 3.72Å; F487-F535 HydrophobicContact CE1-CB 4.47Å; F487-F535 AromaticContact CE1-CD2 3.64Å; F487-F535 HydrophobicContact CE1-CD2 3.64Å; F487-F535 AromaticContact CE1-CE2 3.99Å; F487-F535 HydrophobicContact CE1-CE2 3.99Å; F487-F535 HydrophobicContact CE1-CG 4.05Å; F487-F535 HydrophobicContact CG-CD2 4.46Å; F487-F535 HydrophobicContact CG-CE1 4.41Å; F487-F535 HydrophobicContact CG-CE2 4.12Å; F487-F535 HydrophobicContact CG-CZ 4.1Å; Q488-F535 WeakPolarHBondContact O-CD1 3.49Å; D533-F535 PolarHBondContact O-N 3.33Å; D533-F535 PolarHBondContact OD1-N 3.32Å
536T98.9Very high98.7Very high0 Ų037.6 Ų37.60%018%0.175CC..EExtended strand (participates in β ladder)trans-110.5130.7167.855.30000111.2T444 V445 F446 V489 G490 P534 P539T444-T536 HydrophobicContact CG2-CG2 4.46Å; V445-T536 CarbonylContact O-C 3.44Å; V445-T536 WeakPolarHBondContact O-CA 3.33Å; V445-T536 WeakPolarHBondContact O-CB 3.23Å; F446-T536 HydrophobicContact CD1-CG2 3.49Å; F446-T536 VanDerWaalsContact CD1-CG2 3.49Å; F446-T536 HydrophobicContact CE1-CG2 3.72Å; F446-T536 HydrophobicContact CG-CG2 4.17Å; V489-T536 HydrophobicContact CG1-CG2 4.48Å; G490-T536 VanDerWaalsContact CA-OG1 3.29Å; G490-T536 WeakPolarHBondContact CA-OG1 3.37Å; G490-T536 PolarHBondContact N-OG1 2.92Å; P534-T536 PolarHBondContact O-N 2.81Å; T536-P539 PolarHBondContact OG1-O 3.26Å
537I98.9Very high98.8Very high3 Ų331.3 Ų31.32%0.01515%0.15CC..EExtended strand (participates in β ladder)trans-81.6-26.6173.5-46.9-51.1000110.5L434 V445 Y447 P534 I568 A571L434-I537 HydrophobicContact CD2-CG1 4.14Å; V445-I537 HydrophobicContact CB-CB 4.35Å; V445-I537 HydrophobicContact CG1-CB 3.97Å; V445-I537 HydrophobicContact CG1-CG1 4.18Å; V445-I537 PolarHBondContact O-N 3.31Å; Y447-I537 HydrophobicContact CD1-CD1 4.47Å; P534-I537 HydrophobicContact CB-CD1 3.81Å; P534-I537 HydrophobicContact CG-CD1 4.12Å; I537-I568 HydrophobicContact CD1-CD1 3.86Å; I537-I568 HydrophobicContact CD1-CG1 3.89Å; I537-I568 HydrophobicContact CG1-CG1 4.39Å; I537-I568 HydrophobicContact CG2-CG1 4.3Å; I537-A571 HydrophobicContact CG2-CB 4.42Å
538K98.9Very high98.8Very high52 Ų5230 Ų3023%0.22614%0.143CC..EExtended strand (participates in β ladder)trans-144.4121.9174.5-178.2180172.2-173.60109.4R438 V440 S443 T444 V445R438-K538 HydrophobicContact CG-CB 4.36Å; R438-K538 HydrophobicContact CG-CD 4.48Å; R438-K538 PolarHBondContact O-NZ 3.41Å; V440-K538 PolarHBondContact O-NZ 2.87Å; S443-K538 WeakPolarHBondContact O-CE 3.48Å; S443-K538 WeakPolarHBondContact OG-CD 3.16Å; S443-K538 WeakPolarHBondContact OG-CE 3.4Å; S443-K538 PolarHBondContact OG-NZ 3.47Å; T444-K538 CarbonylContact C-O 3.56Å; T444-K538 WeakPolarHBondContact CA-O 3.49Å; V445-K538 HydrophobicContact CB-CB 4.07Å; V445-K538 HydrophobicContact CG2-CB 4.08Å; V445-K538 PolarHBondContact N-O 2.94Å
539P98.8Very high98.8Very high63 Ų6327.4 Ų27.441%0.40913%0.13SC..SBendcis-63.1154-12.728.9-34.1000112V489 T536V489-P539 HydrophobicContact CG1-CG 3.71Å; T536-P539 PolarHBondContact OG1-O 3.26Å
540L98.6Very high98.8Very high34 Ų3433.7 Ų33.718%0.17815%0.153CC..  trans-99.8139.1-179.6-167.171.8000110.3P534 R542 I545 A571 V572 A575P534-L540 HydrophobicContact CB-CD1 4.28Å; L540-R542 PolarHBondContact O-N 3.05Å; L540-I545 HydrophobicContact CD1-CD1 4.08Å; L540-I545 HydrophobicContact CD2-CD1 3.63Å; L540-I545 HydrophobicContact CG-CD1 3.62Å; L540-A571 HydrophobicContact CD2-CB 4.34Å; L540-V572 HydrophobicContact CD2-CG2 3.92Å; L540-A575 HydrophobicContact CD2-CB 4.15Å
541D98.8Very high98.8Very high24 Ų2434.2 Ų34.213%0.12817%0.165CC..  trans-75.673.6177-167.3-17.7000111.9G490 A492 K543 L544 I545G490-D541 VanDerWaalsContact O-CB 3.26Å; G490-D541 WeakPolarHBondContact O-CB 3.46Å; A492-D541 HydrophobicContact CB-CB 3.61Å; A492-D541 PolarHBondContact N-OD2 3.31Å; D541-K543 PolarHBondContact O-N 2.92Å; D541-K543 PolarHBondContact OD1-N 2.86Å; D541-L544 HydrophobicContact CB-CB 4.35Å; D541-L544 VanDerWaalsContact CG-CB 3.44Å; D541-L544 PolarHBondContact O-N 3.49Å; D541-L544 WeakPolarHBondContact OD1-CB 3.36Å; D541-L544 PolarHBondContact OD1-N 3.45Å; D541-L544 VanDerWaalsContact OD2-CB 3.29Å; D541-L544 WeakPolarHBondContact OD2-CB 3.39Å; D541-I545 WeakPolarHBondContact O-CD1 3.34Å; D541-I545 VanDerWaalsContact O-CG1 3.26Å; D541-I545 WeakPolarHBondContact O-CG1 3.38Å; D541-I545 PolarHBondContact O-N 3.19Å; D541-I545 VanDerWaalsContact O-N 3.12Å
542R98.8Very high98.8Very high104 Ų10434.2 Ų34.239%0.39217%0.165SC..Hα-helixtrans-53.9-37.7179.3-176.4-173.7-169.1-86.9-8.1111.8L540 L546 A575 E579L540-R542 PolarHBondContact O-N 3.05Å; R542-L546 HydrophobicContact CG-CD1 4.07Å; R542-L546 VanDerWaalsContact CZ-CD1 3.48Å; R542-L546 WeakPolarHBondContact O-CG 3.42Å; R542-L546 PolarHBondContact O-N 3.36Å; R542-A575 HydrophobicContact CG-CB 4.24Å; R542-A575 PolarHBondContact NE-O 2.85Å; R542-A575 PolarHBondContact NH2-O 2.79Å; R542-A575 VanDerWaalsContact NH2-O 3.14Å; R542-E579 IonicContact CZ-OE1 2.75Å; R542-E579 IonicContact NH1-OE1 3.66Å; R542-E579 PolarHBondContact NH1-OE1 2.96Å; R542-E579 IonicContact NH2-OE1 3.78Å; R542-E579 PolarHBondContact NH2-OE1 3.38Å
543K98.8Very high98.8Very high143 Ų14338.6 Ų38.662%0.62218%0.184SC*.Hα-helixtrans-64.5-54.4-176.6174.7171.1168.347.70110.4D541 I545 L546 D547D541-K543 PolarHBondContact O-N 2.92Å; D541-K543 PolarHBondContact OD1-N 2.86Å; K543-I545 VanDerWaalsContact C-N 3.28Å; K543-I545 PolarHBondContact O-N 2.86Å; K543-L546 PolarHBondContact O-N 2.79Å; K543-D547 IonicContact NZ-OD2 2.75Å; K543-D547 PolarHBondContact NZ-OD2 2.84Å; K543-D547 WeakPolarHBondContact O-CB 3.29Å; K543-D547 VanDerWaalsContact O-CG 3.31Å; K543-D547 PolarHBondContact O-N 3.35Å
544L98.8Very high98.7Very high46 Ų4638.8 Ų38.824%0.24119%0.186CC..Hα-helixtrans-66-33.5-178-172.161.4000112.1A492 V494 L532 D541 S548A492-L544 VanDerWaalsContact C-CD2 3.49Å; A492-L544 HydrophobicContact CB-CD2 3.89Å; A492-L544 VanDerWaalsContact O-CD2 3.23Å; A492-L544 WeakPolarHBondContact O-CD2 3.44Å; V494-L544 HydrophobicContact CG2-CD1 4.06Å; V494-L544 HydrophobicContact CG2-CD2 4.13Å; V494-L544 HydrophobicContact CG2-CG 4.16Å; L532-L544 HydrophobicContact CD1-CD2 4.35Å; L532-L544 HydrophobicContact CD1-CG 4.1Å; D541-L544 HydrophobicContact CB-CB 4.35Å; D541-L544 VanDerWaalsContact CG-CB 3.44Å; D541-L544 PolarHBondContact O-N 3.49Å; D541-L544 WeakPolarHBondContact OD1-CB 3.36Å; D541-L544 PolarHBondContact OD1-N 3.45Å; D541-L544 VanDerWaalsContact OD2-CB 3.29Å; D541-L544 WeakPolarHBondContact OD2-CB 3.39Å; L544-S548 WeakPolarHBondContact O-CB 3.43Å; L544-S548 PolarHBondContact O-N 2.92Å; L544-S548 PolarHBondContact O-OG 2.69Å
545I98.9Very high98.7Very high0 Ų040.4 Ų40.40%019%0.192CC..Hα-helixtrans-61.5-50.7174.8-70167.3000110.7I506 L532 L540 D541 K543 S548 A549 I556 V572 V576I506-I545 HydrophobicContact CD1-CD1 4.36Å; I506-I545 HydrophobicContact CD1-CG1 4.07Å; I506-I545 HydrophobicContact CD1-CG2 4.04Å; L532-I545 HydrophobicContact CD1-CG1 4.23Å; L532-I545 HydrophobicContact CD2-CG1 4.37Å; L540-I545 HydrophobicContact CD1-CD1 4.08Å; L540-I545 HydrophobicContact CD2-CD1 3.63Å; L540-I545 HydrophobicContact CG-CD1 3.62Å; D541-I545 WeakPolarHBondContact O-CD1 3.34Å; D541-I545 VanDerWaalsContact O-CG1 3.26Å; D541-I545 WeakPolarHBondContact O-CG1 3.38Å; D541-I545 PolarHBondContact O-N 3.19Å; D541-I545 VanDerWaalsContact O-N 3.12Å; K543-I545 VanDerWaalsContact C-N 3.28Å; K543-I545 PolarHBondContact O-N 2.86Å; I545-S548 PolarHBondContact O-N 3.25Å; I545-A549 WeakPolarHBondContact O-CB 3.47Å; I545-A549 PolarHBondContact O-N 2.96Å; I545-I556 HydrophobicContact CG2-CD1 3.88Å; I545-V572 HydrophobicContact CD1-CG2 4.29Å; I545-V572 HydrophobicContact CG2-CG1 4.38Å; I545-V576 HydrophobicContact CG2-CG1 4Å
546L98.8Very high98.7Very high4 Ų440.4 Ų40.42%0.02119%0.192CC..Hα-helixtrans-66.8-42179.7-74.7174000112.6R542 K543 S548 A549 R550 V576 E579 I582R542-L546 HydrophobicContact CG-CD1 4.07Å; R542-L546 VanDerWaalsContact CZ-CD1 3.48Å; R542-L546 WeakPolarHBondContact O-CG 3.42Å; R542-L546 PolarHBondContact O-N 3.36Å; K543-L546 PolarHBondContact O-N 2.79Å; L546-S548 VanDerWaalsContact C-N 3.26Å; L546-S548 PolarHBondContact O-N 2.74Å; L546-A549 PolarHBondContact O-N 3.27Å; L546-R550 WeakPolarHBondContact O-CB 3.17Å; L546-R550 VanDerWaalsContact O-CG 3.25Å; L546-R550 WeakPolarHBondContact O-CG 3.31Å; L546-R550 PolarHBondContact O-N 3.05Å; L546-V576 HydrophobicContact CD2-CB 3.98Å; L546-V576 HydrophobicContact CD2-CG1 3.7Å; L546-V576 HydrophobicContact CG-CG1 4.14Å; L546-E579 HydrophobicContact CD1-CG 4.2Å; L546-E579 HydrophobicContact CD2-CB 4.17Å; L546-E579 HydrophobicContact CD2-CG 3.85Å; L546-I582 HydrophobicContact CD2-CD1 4.48Å; L546-I582 HydrophobicContact CD2-CG1 4.07Å
547D98.8Very high98.7Very high62 Ų6240.4 Ų40.433%0.33219%0.192SC..Hα-helixtrans-63.1-37177.8-70.1-16.9000110.8K543 R550 A551K543-D547 IonicContact NZ-OD2 2.75Å; K543-D547 PolarHBondContact NZ-OD2 2.84Å; K543-D547 WeakPolarHBondContact O-CB 3.29Å; K543-D547 VanDerWaalsContact O-CG 3.31Å; K543-D547 PolarHBondContact O-N 3.35Å; D547-R550 IonicContact OD1-NH1 3.34Å; D547-R550 PolarHBondContact OD1-NH1 3.26Å; D547-A551 PolarHBondContact O-N 3.35Å
548S98.9Very high98.7Very high1 Ų140.2 Ų40.21%0.00719%0.191CC..Hα-helixtrans-68.3-47.3173.4-63.60000112T504 L544 I545 L546 R550 A551 T552T504-S548 VanDerWaalsContact OG1-C 3.25Å; T504-S548 PolarHBondContact OG1-O 2.8Å; L544-S548 WeakPolarHBondContact O-CB 3.43Å; L544-S548 PolarHBondContact O-N 2.92Å; L544-S548 PolarHBondContact O-OG 2.69Å; I545-S548 PolarHBondContact O-N 3.25Å; L546-S548 VanDerWaalsContact C-N 3.26Å; L546-S548 PolarHBondContact O-N 2.74Å; S548-R550 VanDerWaalsContact C-N 3.34Å; S548-R550 PolarHBondContact O-N 2.87Å; S548-A551 WeakPolarHBondContact O-CB 3.43Å; S548-A551 PolarHBondContact O-N 2.92Å; S548-A551 VanDerWaalsContact O-N 3.1Å; S548-T552 WeakPolarHBondContact O-CG2 3.5Å; S548-T552 PolarHBondContact O-N 3.4Å; S548-T552 PolarHBondContact O-OG1 2.77Å
549A98.8Very high98.7Very high0 Ų037.8 Ų37.80%018%0.181CC..Hα-helixtrans-58.5-44.7178.900000111.9I545 L546 A551 T552 K553 G554 I556 I582I545-A549 WeakPolarHBondContact O-CB 3.47Å; I545-A549 PolarHBondContact O-N 2.96Å; L546-A549 PolarHBondContact O-N 3.27Å; A549-A551 VanDerWaalsContact C-N 3.3Å; A549-A551 PolarHBondContact O-N 2.82Å; A549-T552 WeakPolarHBondContact CA-OG1 3.4Å; A549-T552 CarbonylContact O-C 3.2Å; A549-T552 WeakPolarHBondContact O-CA 3.47Å; A549-T552 PolarHBondContact O-N 3.46Å; A549-T552 PolarHBondContact O-OG1 3.35Å; A549-K553 PolarHBondContact O-N 2.89Å; A549-G554 WeakPolarHBondContact O-CA 3.29Å; A549-G554 PolarHBondContact O-N 3.16Å; A549-I556 HydrophobicContact CB-CD1 3.65Å; A549-I556 HydrophobicContact CB-CG1 3.54Å; A549-I582 HydrophobicContact CB-CD1 3.88Å
550R98.6Very high98.8Very high137 Ų13734.9 Ų34.952%0.51716%0.162SC..Hα-helixtrans-60-39.3176.1-71168.3-174153.5-0.6112.1L546 D547 S548 T552 E579 I582L546-R550 WeakPolarHBondContact O-CB 3.17Å; L546-R550 VanDerWaalsContact O-CG 3.25Å; L546-R550 WeakPolarHBondContact O-CG 3.31Å; L546-R550 PolarHBondContact O-N 3.05Å; D547-R550 IonicContact OD1-NH1 3.34Å; D547-R550 PolarHBondContact OD1-NH1 3.26Å; S548-R550 VanDerWaalsContact C-N 3.34Å; S548-R550 PolarHBondContact O-N 2.87Å; R550-T552 PolarHBondContact O-N 2.97Å; R550-E579 IonicContact NH2-OE2 3.3Å; R550-E579 PolarHBondContact NH2-OE2 3.05Å; R550-I582 HydrophobicContact CG-CD1 4.33Å
551A98.6Very high98.8Very high45 Ų4533.2 Ų33.237%0.37215%0.153SC..Hα-helixtrans-69.4-18.8174.300000113.2D547 S548 A549D547-A551 PolarHBondContact O-N 3.35Å; S548-A551 WeakPolarHBondContact O-CB 3.43Å; S548-A551 PolarHBondContact O-N 2.92Å; S548-A551 VanDerWaalsContact O-N 3.1Å; A549-A551 VanDerWaalsContact C-N 3.3Å; A549-A551 PolarHBondContact O-N 2.82Å
552T98.6Very high98.8Very high0 Ų032.1 Ų32.10%015%0.147CC..THydrogen-bonded Turntrans-114.844.5-17965.40000112.7D501 T504 R530 S548 A549 R550 G554 R555D501-T552 HydrophobicContact CB-CG2 3.53Å; D501-T552 WeakPolarHBondContact O-CA 3.29Å; T504-T552 WeakPolarHBondContact CB-OG1 3.39Å; T504-T552 PolarHBondContact N-OG1 3.01Å; T504-T552 VanDerWaalsContact N-OG1 3.07Å; T504-T552 WeakPolarHBondContact OG1-CG2 3.44Å; T504-T552 PolarHBondContact OG1-OG1 3.23Å; R530-T552 HydrophobicContact CB-CG2 3.78Å; S548-T552 WeakPolarHBondContact O-CG2 3.5Å; S548-T552 PolarHBondContact O-N 3.4Å; S548-T552 PolarHBondContact O-OG1 2.77Å; A549-T552 WeakPolarHBondContact CA-OG1 3.4Å; A549-T552 CarbonylContact O-C 3.2Å; A549-T552 WeakPolarHBondContact O-CA 3.47Å; A549-T552 PolarHBondContact O-N 3.46Å; A549-T552 PolarHBondContact O-OG1 3.35Å; R550-T552 PolarHBondContact O-N 2.97Å; T552-G554 PolarHBondContact O-N 3.22Å; T552-G554 VanDerWaalsContact O-N 3.12Å; T552-R555 PolarHBondContact O-N 3.38Å; T552-R555 PolarHBondContact OG1-O 2.76Å
553K98.3Very high98.8Very high92 Ų9229.5 Ų29.540%0.414%0.138SC..THydrogen-bonded Turntrans58.528.4173.7-57.991.9-165.21800113.4D500 D501 A549 R555D500-K553 PolarHBondContact O-NZ 3.17Å; D501-K553 WeakPolarHBondContact O-CD 3.42Å; D501-K553 PolarHBondContact O-NZ 3.45Å; A549-K553 PolarHBondContact O-N 2.89Å; K553-R555 PolarHBondContact O-N 2.91Å
554G98.4Very high98.8Very high5 Ų526.4 Ų26.45%0.05212%0.123CC..THydrogen-bonded Turntrans72.17.1-178.900000115.2A549 T552 G581 I582 T583A549-G554 WeakPolarHBondContact O-CA 3.29Å; A549-G554 PolarHBondContact O-N 3.16Å; T552-G554 PolarHBondContact O-N 3.22Å; T552-G554 VanDerWaalsContact O-N 3.12Å; G554-G581 VanDerWaalsContact CA-O 3.28Å; G554-G581 WeakPolarHBondContact CA-O 3.42Å; G554-I582 CarbonylContact O-C 3.03Å; G554-I582 WeakPolarHBondContact O-CA 3.26Å; G554-T583 PolarHBondContact O-N 3.43Å; G554-T583 PolarHBondContact O-OG1 3.26Å
555R98.8Very high98.8Very high33 Ų3330.1 Ų30.113%0.12514%0.139CC..EExtended strand (participates in β ladder)trans-94.7122.9-173.6-60.1166-168.2157.6-4.5111.1Q502 V503 T504 T552 K553Q502-R555 WeakPolarHBondContact O-CD 3.41Å; Q502-R555 PolarHBondContact O-NH1 2.85Å; V503-R555 HydrophobicContact CB-CB 4.39Å; V503-R555 HydrophobicContact CG1-CB 4.18Å; V503-R555 HydrophobicContact CG2-CB 4.06Å; T504-R555 PolarHBondContact N-O 2.87Å; T552-R555 PolarHBondContact O-N 3.38Å; T552-R555 PolarHBondContact OG1-O 2.76Å; K553-R555 PolarHBondContact O-N 2.91Å
556I98.9Very high98.8Very high0 Ų030.6 Ų30.60%014%0.143CC..EExtended strand (participates in β ladder)trans-116.4133173.3-55.3173000108.9T504 I506 I545 A549 T558 V572 V576 I582 T583 V584 T585T504-I556 CarbonylContact O-C 3.33Å; T504-I556 WeakPolarHBondContact O-CA 3.37Å; I506-I556 HydrophobicContact CD1-CG2 3.64Å; I506-I556 HydrophobicContact CG1-CG2 4.13Å; I545-I556 HydrophobicContact CG2-CD1 3.88Å; A549-I556 HydrophobicContact CB-CD1 3.65Å; A549-I556 HydrophobicContact CB-CG1 3.54Å; I556-T558 HydrophobicContact CG2-CG2 4.21Å; I556-V572 HydrophobicContact CD1-CG1 4.48Å; I556-V572 HydrophobicContact CG2-CG1 4.08Å; I556-V576 HydrophobicContact CD1-CG1 4.3Å; I556-V576 HydrophobicContact CD1-CG2 4.31Å; I556-I582 HydrophobicContact CD1-CG2 3.73Å; I556-I582 HydrophobicContact CG1-CG2 4.39Å; I556-T583 WeakPolarHBondContact CB-O 3.28Å; I556-T583 PolarHBondContact N-O 2.96Å; I556-V584 HydrophobicContact CB-CG1 4.36Å; I556-V584 HydrophobicContact CB-CG2 4.37Å; I556-V584 HydrophobicContact CD1-CG2 4.32Å; I556-V584 HydrophobicContact CG2-CG1 4.23Å; I556-V584 CarbonylContact O-C 3.41Å; I556-V584 WeakPolarHBondContact O-CA 3.32Å; I556-T585 PolarHBondContact O-N 3.28Å
557L98.9Very high98.8Very high0 Ų030.4 Ų30.40%014%0.142CC..EExtended strand (participates in β ladder)trans-119.8117.2168174.963.8000108.2V503 T504 V505 I506 T585 L587 I612 A615 V616 L619V503-L557 HydrophobicContact CG1-CB 3.88Å; T504-L557 PolarHBondContact O-N 2.89Å; V505-L557 CarbonylContact C-O 3.31Å; V505-L557 VanDerWaalsContact CA-O 3.28Å; V505-L557 WeakPolarHBondContact CA-O 3.46Å; V505-L557 HydrophobicContact CG2-CB 4.34Å; V505-L557 HydrophobicContact CG2-CD2 4.25Å; I506-L557 PolarHBondContact N-O 2.85Å; L557-T585 CarbonylContact C-O 3.59Å; L557-T585 WeakPolarHBondContact CA-O 3.29Å; L557-T585 HydrophobicContact CD1-CG2 3.77Å; L557-L587 HydrophobicContact CD1-CD1 4.25Å; L557-L587 HydrophobicContact CD1-CG 4.06Å; L557-I612 HydrophobicContact CD2-CG2 4.13Å; L557-A615 HydrophobicContact CD1-CB 4.13Å; L557-A615 HydrophobicContact CD2-CB 3.9Å; L557-V616 HydrophobicContact CD2-CG2 3.8Å; L557-L619 HydrophobicContact CB-CD1 4.27Å
558T98.9Very high98.8Very high0 Ų027.4 Ų27.40%013%0.126CC..EExtended strand (participates in β ladder)trans-94.7140.8169.768.80000109.7I506 I556 G569 V572 V584 T585 H586 L587I506-T558 HydrophobicContact CB-CG2 4.32Å; I506-T558 HydrophobicContact CD1-CG2 4.46Å; I506-T558 WeakPolarHBondContact O-CA 3.27Å; I556-T558 HydrophobicContact CG2-CG2 4.21Å; T558-G569 VanDerWaalsContact OG1-CA 3.26Å; T558-G569 WeakPolarHBondContact OG1-CA 3.16Å; T558-V572 HydrophobicContact CG2-CB 3.88Å; T558-V572 HydrophobicContact CG2-CG1 3.91Å; T558-V572 HydrophobicContact CG2-CG2 3.89Å; T558-V584 HydrophobicContact CG2-CG1 4.21Å; T558-T585 PolarHBondContact N-O 3.36Å; T558-H586 PolarHBondContact OG1-CD2 2.92Å; T558-H586 VanDerWaalsContact OG1-CD2 3.25Å; T558-L587 PolarHBondContact O-N 3.2Å
559V98.9Very high98.8Very high0 Ų027.4 Ų27.40%013%0.127CC..EExtended strand (participates in β ladder)trans-136.1123.217556.50000110.5V505 I506 T511 L587 I607 I612V505-V559 HydrophobicContact CG1-CG1 4.07Å; I506-V559 PolarHBondContact O-N 3.19Å; T511-V559 WeakPolarHBondContact CB-O 3.49Å; T511-V559 HydrophobicContact CG2-CG2 4.08Å; T511-V559 PolarHBondContact OG1-O 2.83Å; V559-L587 VanDerWaalsContact CA-O 3.29Å; V559-L587 WeakPolarHBondContact CA-O 3.5Å; V559-L587 HydrophobicContact CB-CB 4.19Å; V559-L587 HydrophobicContact CG2-CB 4.02Å; V559-I607 HydrophobicContact CG2-CB 3.92Å; V559-I607 HydrophobicContact CG2-CG2 4.16Å; V559-I612 HydrophobicContact CB-CD1 4.33Å; V559-I612 HydrophobicContact CB-CG1 4.18Å; V559-I612 HydrophobicContact CG1-CD1 3.81Å; V559-I612 HydrophobicContact CG1-CG1 4.08Å; V559-I612 HydrophobicContact CG2-CD1 3.98Å; V559-I612 HydrophobicContact CG2-CG1 3.89Å
560E98.9Very high98.8Very high2 Ų231.3 Ų31.31%0.00915%0.145CC..EExtended strand (participates in β ladder)trans-140.9142.5-173.965.9-172.3110.400114.2H562 G567 I568 G569 L587 A588E560-H562 HydrophobicContact CB-CB 4.4Å; E560-H562 HydrophobicContact CG-CB 4.06Å; E560-H562 PolarHBondContact O-N 2.81Å; E560-H562 VanDerWaalsContact O-N 3.15Å; E560-H562 WeakPolarHBondContact OE2-CB 3.45Å; E560-H562 IonicContact OE2-CG 3.55Å; E560-H562 IonicContact OE2-ND1 3.27Å; E560-G567 VanDerWaalsContact OE2-CA 3.22Å; E560-G567 WeakPolarHBondContact OE2-CA 3.32Å; E560-I568 HydrophobicContact CB-CB 4.33Å; E560-I568 HydrophobicContact CB-CD1 3.94Å; E560-I568 HydrophobicContact CB-CG1 4.17Å; E560-I568 VanDerWaalsContact CD-N 3.29Å; E560-I568 PolarHBondContact OE1-N 3.23Å; E560-I568 VanDerWaalsContact OE1-N 3.09Å; E560-I568 PolarHBondContact OE2-N 3.27Å; E560-G569 PolarHBondContact OE1-N 2.62Å; E560-L587 PolarHBondContact N-O 3.12Å; E560-A588 HydrophobicContact CG-CB 3.77Å
561D98.9Very high98.8Very high0 Ų025.2 Ų25.20%012%0.124CC..EExtended strand (participates in β ladder)trans-87.766.4171-164.64.6000109.8G418 V419 S420 R471 V510 T511 I607G418-D561 VanDerWaalsContact CA-OD1 3.23Å; G418-D561 WeakPolarHBondContact CA-OD1 3.48Å; G418-D561 WeakPolarHBondContact CA-OD2 3.47Å; V419-D561 WeakPolarHBondContact CG2-OD1 3.49Å; V419-D561 VanDerWaalsContact N-CG 3.3Å; V419-D561 PolarHBondContact N-OD1 2.88Å; V419-D561 PolarHBondContact N-OD2 3.3Å; V419-D561 VanDerWaalsContact N-OD2 3.16Å; S420-D561 VanDerWaalsContact CB-OD2 3.23Å; S420-D561 WeakPolarHBondContact CB-OD2 3.45Å; S420-D561 PolarHBondContact N-OD2 3.39Å; S420-D561 PolarHBondContact OG-OD2 2.9Å; R471-D561 PolarHBondContact NH1-O 3.08Å; R471-D561 PolarHBondContact NH2-O 2.87Å; V510-D561 HydrophobicContact CG2-CB 3.85Å; T511-D561 HydrophobicContact CG2-CB 4.11Å; D561-I607 HydrophobicContact CB-CD1 3.84Å
562H98.9Very high98.8Very high0 Ų023.1 Ų23.10%011%0.106CC..EExtended strand (participates in β ladder)trans-159.7163.6-175-174.1-85.3000108.5L431 E432 D433 L434 A435 E560 E565 A588 V589L431-H562 VanDerWaalsContact C-CD2 3.41Å; L431-H562 PolarHBondContact O-CD2 2.88Å; L431-H562 PolarHBondContact O-CE1 3.04Å; L431-H562 VanDerWaalsContact O-CG 3.22Å; L431-H562 PolarHBondContact O-ND1 3.05Å; L431-H562 PolarHBondContact O-NE2 3.41Å; L431-H562 VanDerWaalsContact O-NE2 3.07Å; E432-H562 VanDerWaalsContact C-NE2 3.29Å; E432-H562 VanDerWaalsContact CA-NE2 3.28Å; E432-H562 WeakPolarHBondContact CA-NE2 3.23Å; D433-H562 PolarHBondContact N-NE2 3.05Å; D433-H562 IonicContact OD1-CD2 2.74Å; L434-H562 WeakPolarHBondContact CB-NE2 3.29Å; L434-H562 HydrophobicContact CD1-CB 4.25Å; L434-H562 PolarHBondContact N-NE2 2.74Å; L434-H562 VanDerWaalsContact N-NE2 3.19Å; A435-H562 PolarHBondContact N-NE2 3.1Å; E560-H562 HydrophobicContact CB-CB 4.4Å; E560-H562 HydrophobicContact CG-CB 4.06Å; E560-H562 PolarHBondContact O-N 2.81Å; E560-H562 VanDerWaalsContact O-N 3.15Å; E560-H562 WeakPolarHBondContact OE2-CB 3.45Å; E560-H562 IonicContact OE2-CG 3.55Å; E560-H562 IonicContact OE2-ND1 3.27Å; H562-E565 PolarHBondContact CE1-O 3.47Å; H562-A588 WeakPolarHBondContact O-CB 3.33Å; H562-V589 WeakPolarHBondContact O-CB 3.34Å; H562-V589 PolarHBondContact O-N 2.71Å
563Y98.9Very high98.8Very high50 Ų5024.5 Ų24.520%0.19612%0.116CC..EExtended strand (participates in β ladder)trans-64164.7168.8-67.2-48.6000112L431 E432 V589L431-Y563 HydrophobicContact CB-CD1 4.18Å; L431-Y563 HydrophobicContact CB-CD2 3.51Å; L431-Y563 HydrophobicContact CB-CE1 4.06Å; L431-Y563 HydrophobicContact CB-CE2 3.37Å; L431-Y563 HydrophobicContact CB-CG 3.91Å; L431-Y563 HydrophobicContact CD1-CD1 4.42Å; L431-Y563 HydrophobicContact CD1-CE1 3.76Å; L431-Y563 HydrophobicContact CD1-CE2 4.29Å; L431-Y563 HydrophobicContact CG-CE2 4.49Å; L431-Y563 WeakPolarHBondContact O-CB 3.26Å; L431-Y563 WeakPolarHBondContact O-CD2 3.36Å; L431-Y563 PolarHBondContact O-N 3.46Å; E432-Y563 HydrophobicContact CB-CD2 4.44Å; Y563-V589 WeakPolarHBondContact CA-O 3.46Å; Y563-V589 HydrophobicContact CD1-CB 4.22Å; Y563-V589 HydrophobicContact CD1-CG1 4.14Å; Y563-V589 WeakPolarHBondContact CD1-O 3.41Å; Y563-V589 HydrophobicContact CE1-CG1 4.04Å
564Y98.9Very high98.9Very high78 Ų7824.1 Ų24.131%0.30613%0.125SC..SBendtrans-63.6-42.1179.9-82.8-91.4000112.3H586 A588 V589 N590Y564-H586 HydrophobicContact CD1-CB 4.15Å; Y564-H586 HydrophobicContact CE1-CB 3.85Å; Y564-A588 HydrophobicContact CD1-CB 3.87Å; Y564-A588 HydrophobicContact CD2-CB 3.72Å; Y564-A588 HydrophobicContact CE1-CB 3.95Å; Y564-A588 HydrophobicContact CE2-CB 3.77Å; Y564-A588 WeakPolarHBondContact CE2-O 3.49Å; Y564-A588 HydrophobicContact CG-CB 3.76Å; Y564-A588 PolarHBondContact OH-N 3.19Å; Y564-V589 WeakPolarHBondContact CD2-O 3.5Å; Y564-N590 HydrophobicContact CD2-CB 4.33Å; Y564-N590 HydrophobicContact CE2-CB 3.77Å
565E98.9Very high98.9Very high124 Ų12425 Ų2558%0.57913%0.132SC*.THydrogen-bonded Turntrans-76.7131.8-171.2-59.277.6-173.300111.4H562 G567H562-E565 PolarHBondContact CE1-O 3.47Å; E565-G567 PolarHBondContact O-N 3.4Å; E565-G567 VanDerWaalsContact O-N 3.12Å
566G98.7Very high98.9Very high9 Ų923.6 Ų23.69%0.09313%0.127CC..THydrogen-bonded Turntrans68.15.4175.300000116A435 R438 E570A435-G566 WeakPolarHBondContact CA-O 3.29Å; A435-G566 PolarHBondContact N-O 3.22Å; R438-G566 WeakPolarHBondContact CD-O 3.31Å; R438-G566 PolarHBondContact NH1-O 2.94Å; G566-E570 WeakPolarHBondContact CA-OE2 3.39Å; G566-E570 VanDerWaalsContact N-CD 3.26Å; G566-E570 PolarHBondContact N-OE2 2.93Å
567G98.7Very high98.8Very high0 Ų029.2 Ų29.20%016%0.161CC..SBendtrans-83.7-156.5-179.200000115.5E560 E565 A571E560-G567 VanDerWaalsContact OE2-CA 3.22Å; E560-G567 WeakPolarHBondContact OE2-CA 3.32Å; E565-G567 PolarHBondContact O-N 3.4Å; E565-G567 VanDerWaalsContact O-N 3.12Å; G567-A571 WeakPolarHBondContact O-CB 3.44Å; G567-A571 PolarHBondContact O-N 3.03Å; G567-A571 VanDerWaalsContact O-N 3.16Å
568I98.9Very high98.8Very high0 Ų032.9 Ų32.90%020%0.198CC..Hα-helixtrans-64.5-46177-53.7-176.4000110.5L434 Y447 I506 A508 I537 E560 E570 A571 V572L434-I568 HydrophobicContact CD1-CD1 4.36Å; L434-I568 HydrophobicContact CD1-CG1 3.8Å; Y447-I568 HydrophobicContact CD1-CD1 4.22Å; Y447-I568 HydrophobicContact CE1-CD1 4.38Å; I506-I568 HydrophobicContact CG2-CG2 4.3Å; A508-I568 HydrophobicContact CB-CD1 3.74Å; I537-I568 HydrophobicContact CD1-CD1 3.86Å; I537-I568 HydrophobicContact CD1-CG1 3.89Å; I537-I568 HydrophobicContact CG1-CG1 4.39Å; I537-I568 HydrophobicContact CG2-CG1 4.3Å; E560-I568 HydrophobicContact CB-CB 4.33Å; E560-I568 HydrophobicContact CB-CD1 3.94Å; E560-I568 HydrophobicContact CB-CG1 4.17Å; E560-I568 VanDerWaalsContact CD-N 3.29Å; E560-I568 PolarHBondContact OE1-N 3.23Å; E560-I568 VanDerWaalsContact OE1-N 3.09Å; E560-I568 PolarHBondContact OE2-N 3.27Å; I568-E570 PolarHBondContact O-N 3.08Å; I568-A571 WeakPolarHBondContact O-CB 3.4Å; I568-A571 PolarHBondContact O-N 2.88Å; I568-V572 HydrophobicContact CG2-CG2 4.17Å; I568-V572 WeakPolarHBondContact O-CB 3.46Å; I568-V572 VanDerWaalsContact O-CG2 3.29Å; I568-V572 WeakPolarHBondContact O-CG2 3.45Å; I568-V572 PolarHBondContact O-N 3.17Å
569G98.9Very high98.7Very high1 Ų135.2 Ų35.21%0.0121%0.209CC..Hα-helixtrans-59-48.4-178.400000112.4T558 E560 V572 S573 H586T558-G569 VanDerWaalsContact OG1-CA 3.26Å; T558-G569 WeakPolarHBondContact OG1-CA 3.16Å; E560-G569 PolarHBondContact OE1-N 2.62Å; G569-V572 PolarHBondContact O-N 3.26Å; G569-S573 VanDerWaalsContact O-CB 3.29Å; G569-S573 WeakPolarHBondContact O-CB 3.26Å; G569-S573 PolarHBondContact O-N 3.26Å; G569-S573 PolarHBondContact O-OG 2.87Å; G569-H586 PolarHBondContact O-NE2 2.93Å
570E98.9Very high98.7Very high82 Ų8240.9 Ų40.938%0.38325%0.246SC..Hα-helixtrans-66.6-36.7174.7-80.3-165.1177.100113G566 I568 S574G566-E570 WeakPolarHBondContact CA-OE2 3.39Å; G566-E570 VanDerWaalsContact N-CD 3.26Å; G566-E570 PolarHBondContact N-OE2 2.93Å; I568-E570 PolarHBondContact O-N 3.08Å; E570-S574 VanDerWaalsContact O-CB 3.27Å; E570-S574 WeakPolarHBondContact O-CB 3.36Å; E570-S574 PolarHBondContact O-N 2.93Å; E570-S574 PolarHBondContact O-OG 2.93Å
571A98.9Very high98.6Very high9 Ų944 Ų447%0.07428%0.278CS..Hα-helixtrans-63.6-45.2176.300000111.6I537 L540 G567 I568 A575I537-A571 HydrophobicContact CG2-CB 4.42Å; L540-A571 HydrophobicContact CD2-CB 4.34Å; G567-A571 WeakPolarHBondContact O-CB 3.44Å; G567-A571 PolarHBondContact O-N 3.03Å; G567-A571 VanDerWaalsContact O-N 3.16Å; I568-A571 WeakPolarHBondContact O-CB 3.4Å; I568-A571 PolarHBondContact O-N 2.88Å; A571-A575 WeakPolarHBondContact O-CB 3.33Å; A571-A575 PolarHBondContact O-N 3.39Å
572V98.9Very high98.6Very high0 Ų045.3 Ų45.30%029%0.285CS..Hα-helixtrans-64.7-49.31761710000110.4I506 L540 I545 I556 T558 I568 G569 S574 A575 V576 V584I506-V572 HydrophobicContact CD1-CG1 4.13Å; I506-V572 HydrophobicContact CD1-CG2 4.01Å; L540-V572 HydrophobicContact CD2-CG2 3.92Å; I545-V572 HydrophobicContact CD1-CG2 4.29Å; I545-V572 HydrophobicContact CG2-CG1 4.38Å; I556-V572 HydrophobicContact CD1-CG1 4.48Å; I556-V572 HydrophobicContact CG2-CG1 4.08Å; T558-V572 HydrophobicContact CG2-CB 3.88Å; T558-V572 HydrophobicContact CG2-CG1 3.91Å; T558-V572 HydrophobicContact CG2-CG2 3.89Å; I568-V572 HydrophobicContact CG2-CG2 4.17Å; I568-V572 WeakPolarHBondContact O-CB 3.46Å; I568-V572 VanDerWaalsContact O-CG2 3.29Å; I568-V572 WeakPolarHBondContact O-CG2 3.45Å; I568-V572 PolarHBondContact O-N 3.17Å; G569-V572 PolarHBondContact O-N 3.26Å; V572-S574 VanDerWaalsContact C-N 3.35Å; V572-S574 PolarHBondContact O-N 3.02Å; V572-A575 WeakPolarHBondContact O-CB 3.43Å; V572-A575 PolarHBondContact O-N 3.26Å; V572-V576 WeakPolarHBondContact O-CG2 3.28Å; V572-V576 PolarHBondContact O-N 2.78Å; V572-V584 HydrophobicContact CG1-CG1 4.19Å
573S98.9Very high98.6Very high30 Ų3048.7 Ų48.721%0.2131%0.306CS..Hα-helixtrans-54.4-50.5176.7-83.50000111.7G569 A575 V576 V577 H586G569-S573 VanDerWaalsContact O-CB 3.29Å; G569-S573 WeakPolarHBondContact O-CB 3.26Å; G569-S573 PolarHBondContact O-N 3.26Å; G569-S573 PolarHBondContact O-OG 2.87Å; S573-A575 PolarHBondContact O-N 3.29Å; S573-V576 PolarHBondContact O-N 3.15Å; S573-V577 WeakPolarHBondContact O-CB 3.39Å; S573-V577 PolarHBondContact O-N 3.09Å; S573-H586 PolarHBondContact OG-CE1 3.05Å; S573-H586 PolarHBondContact OG-NE2 3.07Å
574S98.8Very high98.6Very high84 Ų8448 Ų4859%0.58731%0.307SS*.Hα-helixtrans-59.9-33.8177.6-57.50000112.4E570 V572E570-S574 VanDerWaalsContact O-CB 3.27Å; E570-S574 WeakPolarHBondContact O-CB 3.36Å; E570-S574 PolarHBondContact O-N 2.93Å; E570-S574 PolarHBondContact O-OG 2.93Å; V572-S574 VanDerWaalsContact C-N 3.35Å; V572-S574 PolarHBondContact O-N 3.02Å
575A98.6Very high98.6Very high23 Ų2346.6 Ų46.619%0.1931%0.306CS..Hα-helixtrans-73.5-31179.100000113.3L540 R542 A571 V572 S573L540-A575 HydrophobicContact CD2-CB 4.15Å; R542-A575 HydrophobicContact CG-CB 4.24Å; R542-A575 PolarHBondContact NE-O 2.85Å; R542-A575 PolarHBondContact NH2-O 2.79Å; R542-A575 VanDerWaalsContact NH2-O 3.14Å; A571-A575 WeakPolarHBondContact O-CB 3.33Å; A571-A575 PolarHBondContact O-N 3.39Å; V572-A575 WeakPolarHBondContact O-CB 3.43Å; V572-A575 PolarHBondContact O-N 3.26Å; S573-A575 PolarHBondContact O-N 3.29Å
576V98.6Very high98.6Very high4 Ų443.5 Ų43.52%0.02429%0.292CS..Hα-helixtrans-113.8-9.4-170.9-520000114.8I545 L546 I556 V572 S573 G578 E579 I582 V584I545-V576 HydrophobicContact CG2-CG1 4Å; L546-V576 HydrophobicContact CD2-CB 3.98Å; L546-V576 HydrophobicContact CD2-CG1 3.7Å; L546-V576 HydrophobicContact CG-CG1 4.14Å; I556-V576 HydrophobicContact CD1-CG1 4.3Å; I556-V576 HydrophobicContact CD1-CG2 4.31Å; V572-V576 WeakPolarHBondContact O-CG2 3.28Å; V572-V576 PolarHBondContact O-N 2.78Å; S573-V576 PolarHBondContact O-N 3.15Å; V576-G578 PolarHBondContact O-N 2.75Å; V576-E579 VanDerWaalsContact O-CB 3.29Å; V576-E579 WeakPolarHBondContact O-CB 3.4Å; V576-E579 WeakPolarHBondContact O-CG 3.04Å; V576-E579 PolarHBondContact O-N 3.31Å; V576-I582 HydrophobicContact CB-CG2 4.13Å; V576-I582 HydrophobicContact CG2-CG2 3.94Å; V576-V584 HydrophobicContact CG2-CG2 3.39Å
577V98.4Very high98.6Very high118 Ų11844.4 Ų44.472%0.71529%0.294SS*.THydrogen-bonded Turntrans-54.6133.4-178.765.90000111.2S573S573-V577 WeakPolarHBondContact O-CB 3.39Å; S573-V577 PolarHBondContact O-N 3.09Å
578G97.6Very high98.6Very high76 Ų7644.5 Ų44.578%0.78430%0.295SS*.THydrogen-bonded Turntrans87.7-8.9-177.100000115.4V576 P580V576-G578 PolarHBondContact O-N 2.75Å; G578-P580 WeakPolarHBondContact O-CD 3.35Å
579E98.3Very high98.6Very high49 Ų4944.5 Ų44.523%0.22930%0.295CS..  trans-71.7121.1173.6-70-84.916900110.8R542 L546 R550 V576 G581 I582R542-E579 IonicContact CZ-OE1 2.75Å; R542-E579 IonicContact NH1-OE1 3.66Å; R542-E579 PolarHBondContact NH1-OE1 2.96Å; R542-E579 IonicContact NH2-OE1 3.78Å; R542-E579 PolarHBondContact NH2-OE1 3.38Å; L546-E579 HydrophobicContact CD1-CG 4.2Å; L546-E579 HydrophobicContact CD2-CB 4.17Å; L546-E579 HydrophobicContact CD2-CG 3.85Å; R550-E579 IonicContact NH2-OE2 3.3Å; R550-E579 PolarHBondContact NH2-OE2 3.05Å; V576-E579 VanDerWaalsContact O-CB 3.29Å; V576-E579 WeakPolarHBondContact O-CB 3.4Å; V576-E579 WeakPolarHBondContact O-CG 3.04Å; V576-E579 PolarHBondContact O-N 3.31Å; E579-G581 PolarHBondContact O-N 3.36Å; E579-I582 HydrophobicContact CB-CB 4.11Å; E579-I582 HydrophobicContact CB-CG1 3.62Å; E579-I582 WeakPolarHBondContact O-CB 3.4Å; E579-I582 PolarHBondContact O-N 3.39Å; E579-I582 VanDerWaalsContact O-N 3.17Å
580P97.9Very high98.6Very high120 Ų12049.2 Ų49.278%0.77932%0.32SS*.THydrogen-bonded Turntrans-59.2134.6-176.2-2635.1000113G578 I582G578-P580 WeakPolarHBondContact O-CD 3.35Å; P580-I582 PolarHBondContact O-N 2.92Å
581G97.3Very high98.6Very high66 Ų6651.2 Ų51.268%0.6832%0.324SS*.THydrogen-bonded Turntrans74.80.2178.900000114.6G554 E579G554-G581 VanDerWaalsContact CA-O 3.28Å; G554-G581 WeakPolarHBondContact CA-O 3.42Å; E579-G581 PolarHBondContact O-N 3.36Å
582I98.6Very high98.6Very high28 Ų2855.6 Ų55.614%0.14435%0.35CS..  trans-91131.6176.1-52.3-55.9000110.4L546 A549 R550 G554 I556 V576 E579 P580L546-I582 HydrophobicContact CD2-CD1 4.48Å; L546-I582 HydrophobicContact CD2-CG1 4.07Å; A549-I582 HydrophobicContact CB-CD1 3.88Å; R550-I582 HydrophobicContact CG-CD1 4.33Å; G554-I582 CarbonylContact O-C 3.03Å; G554-I582 WeakPolarHBondContact O-CA 3.26Å; I556-I582 HydrophobicContact CD1-CG2 3.73Å; I556-I582 HydrophobicContact CG1-CG2 4.39Å; V576-I582 HydrophobicContact CB-CG2 4.13Å; V576-I582 HydrophobicContact CG2-CG2 3.94Å; E579-I582 HydrophobicContact CB-CB 4.11Å; E579-I582 HydrophobicContact CB-CG1 3.62Å; E579-I582 WeakPolarHBondContact O-CB 3.4Å; E579-I582 PolarHBondContact O-N 3.39Å; E579-I582 VanDerWaalsContact O-N 3.17Å; P580-I582 PolarHBondContact O-N 2.92Å
583T98.6Very high98.5Very high71 Ų7156 Ų5644%0.43635%0.353SS..EExtended strand (participates in β ladder)trans-126.1142.8174.854.80000109.4G554 I556G554-T583 PolarHBondContact O-N 3.43Å; G554-T583 PolarHBondContact O-OG1 3.26Å; I556-T583 WeakPolarHBondContact CB-O 3.28Å; I556-T583 PolarHBondContact N-O 2.96Å
584V98.8Very high98.5Very high37 Ų3761.6 Ų61.622%0.22437%0.369CS..EExtended strand (participates in β ladder)trans-124.3131.2177.3-1650000109I556 T558 V572 V576 H586I556-V584 HydrophobicContact CB-CG1 4.36Å; I556-V584 HydrophobicContact CB-CG2 4.37Å; I556-V584 HydrophobicContact CD1-CG2 4.32Å; I556-V584 HydrophobicContact CG2-CG1 4.23Å; I556-V584 CarbonylContact O-C 3.41Å; I556-V584 WeakPolarHBondContact O-CA 3.32Å; T558-V584 HydrophobicContact CG2-CG1 4.21Å; V572-V584 HydrophobicContact CG1-CG1 4.19Å; V576-V584 HydrophobicContact CG2-CG2 3.39Å; V584-H586 VanDerWaalsContact CG1-NE2 3.28Å; V584-H586 WeakPolarHBondContact CG1-NE2 3.39Å
585T98.9Very high98.5Very high47 Ų4760.1 Ų60.129%0.28836%0.359SS..EExtended strand (participates in β ladder)trans-118.8142.9170.5-63.20000109.1I556 L557 T558 L619I556-T585 PolarHBondContact O-N 3.28Å; L557-T585 CarbonylContact C-O 3.59Å; L557-T585 WeakPolarHBondContact CA-O 3.29Å; L557-T585 HydrophobicContact CD1-CG2 3.77Å; T558-T585 PolarHBondContact N-O 3.36Å; T585-L619 VanDerWaalsContact OG1-CD2 3.29Å; T585-L619 WeakPolarHBondContact OG1-CD2 3.29Å
586H98.7Very high98.5Very high59 Ų5959.7 Ų59.727%0.27336%0.357SS..EExtended strand (participates in β ladder)trans-118.3132-174.5-51.1142000111.6T558 Y564 G569 S573 V584T558-H586 PolarHBondContact OG1-CD2 2.92Å; T558-H586 VanDerWaalsContact OG1-CD2 3.25Å; Y564-H586 HydrophobicContact CD1-CB 4.15Å; Y564-H586 HydrophobicContact CE1-CB 3.85Å; G569-H586 PolarHBondContact O-NE2 2.93Å; S573-H586 PolarHBondContact OG-CE1 3.05Å; S573-H586 PolarHBondContact OG-NE2 3.07Å; V584-H586 VanDerWaalsContact CG1-NE2 3.28Å; V584-H586 WeakPolarHBondContact CG1-NE2 3.39Å
587L98.9Very high98.5Very high29 Ų2965.5 Ų65.515%0.15238%0.382CS..EExtended strand (participates in β ladder)trans-116.3122.7161.6-63.2177.9000108.5L557 T558 V559 E560 I607 A611 I612 A615L557-L587 HydrophobicContact CD1-CD1 4.25Å; L557-L587 HydrophobicContact CD1-CG 4.06Å; T558-L587 PolarHBondContact O-N 3.2Å; V559-L587 VanDerWaalsContact CA-O 3.29Å; V559-L587 WeakPolarHBondContact CA-O 3.5Å; V559-L587 HydrophobicContact CB-CB 4.19Å; V559-L587 HydrophobicContact CG2-CB 4.02Å; E560-L587 PolarHBondContact N-O 3.12Å; L587-I607 HydrophobicContact CB-CG2 4.32Å; L587-A611 HydrophobicContact CD1-CB 4.45Å; L587-I612 HydrophobicContact CD1-CG1 4.28Å; L587-A615 HydrophobicContact CD1-CB 3.92Å; L587-A615 HydrophobicContact CG-CB 4.47Å
588A98.9Very high98.5Very high2 Ų261.5 Ų61.52%0.01736%0.358CS..EExtended strand (participates in β ladder)trans-153.1172.2179.700000109E560 H562 Y564 N590E560-A588 HydrophobicContact CG-CB 3.77Å; H562-A588 WeakPolarHBondContact O-CB 3.33Å; Y564-A588 HydrophobicContact CD1-CB 3.87Å; Y564-A588 HydrophobicContact CD2-CB 3.72Å; Y564-A588 HydrophobicContact CE1-CB 3.95Å; Y564-A588 HydrophobicContact CE2-CB 3.77Å; Y564-A588 WeakPolarHBondContact CE2-O 3.49Å; Y564-A588 HydrophobicContact CG-CB 3.76Å; Y564-A588 PolarHBondContact OH-N 3.19Å; A588-N590 PolarHBondContact O-N 3.14Å
589V98.9Very high98.6Very high0 Ų061.2 Ų61.20%035%0.348CS..EExtended strand (participates in β ladder)trans-72125.6177-178.20000108.8V419 L431 H562 Y563 Y564 R591 P593 F605 I607V419-V589 HydrophobicContact CG1-CG1 4.31Å; V419-V589 HydrophobicContact CG1-CG2 3.97Å; L431-V589 HydrophobicContact CD1-CG1 4.09Å; L431-V589 HydrophobicContact CD2-CB 4.22Å; L431-V589 HydrophobicContact CD2-CG1 4.5Å; L431-V589 HydrophobicContact CD2-CG2 3.88Å; H562-V589 WeakPolarHBondContact O-CB 3.34Å; H562-V589 PolarHBondContact O-N 2.71Å; Y563-V589 WeakPolarHBondContact CA-O 3.46Å; Y563-V589 HydrophobicContact CD1-CB 4.22Å; Y563-V589 HydrophobicContact CD1-CG1 4.14Å; Y563-V589 WeakPolarHBondContact CD1-O 3.41Å; Y563-V589 HydrophobicContact CE1-CG1 4.04Å; Y564-V589 WeakPolarHBondContact CD2-O 3.5Å; V589-R591 WeakPolarHBondContact CG1-O 3.48Å; V589-P593 HydrophobicContact CG1-CG 4.19Å; V589-F605 HydrophobicContact CG1-CB 4.37Å; V589-F605 HydrophobicContact CG1-CD1 3.92Å; V589-F605 HydrophobicContact CG1-CG 4.14Å; V589-F605 HydrophobicContact CG2-CB 4.25Å; V589-I607 HydrophobicContact CG2-CD1 3.95Å
590N98.6Very high98.6Very high100 Ų10063.8 Ų63.854%0.53536%0.36SS..  trans-99-5.1-169.971.2-3.6000115.8Y564 A588Y564-N590 HydrophobicContact CD2-CB 4.33Å; Y564-N590 HydrophobicContact CE2-CB 3.77Å; A588-N590 PolarHBondContact O-N 3.14Å
591R98.7Very high98.6Very high123 Ų12358.1 Ų58.146%0.46432%0.324SS..SBendtrans-164.5167.6-176.868.8-167.9-178.3-82.81.6110.3V589 P593 F605V589-R591 WeakPolarHBondContact CG1-O 3.48Å; R591-P593 WeakPolarHBondContact O-CD 3.2Å; R591-F605 HydrophobicContact CG-CE1 4.03Å
592V98.8Very high98.7Very high101 Ų10155.4 Ų55.461%0.61229%0.293SS*.  trans-51.1125.8172.8-179.50000110.4P426P426-V592 HydrophobicContact CB-CG1 3.81Å; P426-V592 HydrophobicContact CG-CG1 4.05Å
593P98.6Very high98.7Very high10 Ų1059.8 Ų59.87%0.06531%0.311CS..  trans-72.9-167.4-178.7-19.228.9000115.8V419 P426 M429 L431 V589 R591 F605V419-P593 HydrophobicContact CG1-CB 3.88Å; V419-P593 HydrophobicContact CG1-CG 3.52Å; P426-P593 HydrophobicContact CB-CB 4.39Å; P426-P593 HydrophobicContact CB-CG 4.5Å; M429-P593 HydrophobicContact SD-CB 3.5Å; M429-P593 WeakPolarHBondContact SD-CB 3.15Å; M429-P593 HydrophobicContact SD-CG 3.68Å; L431-P593 HydrophobicContact CD1-CG 3.29Å; V589-P593 HydrophobicContact CG1-CG 4.19Å; R591-P593 WeakPolarHBondContact O-CD 3.2Å; P593-F605 HydrophobicContact CB-CE1 4.4Å; P593-F605 HydrophobicContact CB-CE2 3.74Å; P593-F605 HydrophobicContact CB-CZ 3.71Å; P593-F605 HydrophobicContact CG-CZ 4.5Å
594R98.4Very high98.7Very high147 Ų14760.6 Ų60.656%0.55531%0.311SS*.  trans-147.9167.917661.8107.771.3-140.2-0.5110.4L601 M604 F605R594-L601 HydrophobicContact CG-CD2 4.36Å; R594-L601 WeakPolarHBondContact O-CD1 3.47Å; R594-L601 WeakPolarHBondContact O-CD2 3.19Å; R594-M604 HydrophobicContact CG-CE 4.43Å; R594-M604 HydrophobicContact CG-SD 3.71Å; R594-F605 HydrophobicContact CG-CZ 4.47Å
595S98.8Very high98.7Very high52 Ų5259.3 Ų59.336%0.36430%0.303SS..  trans-73.2139.3176.9-58.20000113.2E423 G425E423-S595 WeakPolarHBondContact O-CB 3.17Å; E423-S595 PolarHBondContact O-OG 3.49Å; G425-S595 WeakPolarHBondContact CA-OG 3.35Å
596G98.5Very high98.7Very high15 Ų1558.3 Ų58.316%0.15530%0.302CS..SBendtrans179.1177.5175.900000110.1G422 E423G422-G596 CarbonylContact C-O 3.21Å; G422-G596 WeakPolarHBondContact CA-O 3.35Å; E423-G596 PolarHBondContact N-O 2.7Å
597K98.7Very high98.7Very high125 Ų12555.5 Ų55.554%0.54329%0.289SS..  trans-66147.8175.1-62.3-178.6-179.1-176.90109.7A599 E600 L601K597-A599 VanDerWaalsContact C-N 3.31Å; K597-A599 PolarHBondContact O-N 3.14Å; K597-A599 VanDerWaalsContact O-N 3.15Å; K597-E600 HydrophobicContact CB-CB 4.43Å; K597-E600 HydrophobicContact CB-CG 4.02Å; K597-E600 WeakPolarHBondContact CB-OE2 3.45Å; K597-E600 PolarHBondContact N-OE2 3.27Å; K597-E600 WeakPolarHBondContact O-CB 3.48Å; K597-E600 PolarHBondContact O-N 3.11Å; K597-L601 PolarHBondContact O-N 3.39Å; K597-L601 VanDerWaalsContact O-N 3.07Å
598P98.6Very high98.7Very high35 Ų3554.8 Ų54.823%0.22729%0.285CS..Hα-helixtrans-46.6-49.5-179.8-33.237.4000114.4S420 E600 L601 L602S420-P598 WeakPolarHBondContact O-CB 3.45Å; S420-P598 WeakPolarHBondContact O-CG 3.39Å; P598-E600 VanDerWaalsContact C-N 3.35Å; P598-E600 PolarHBondContact O-N 3.34Å; P598-L601 PolarHBondContact O-N 3.39Å; P598-L602 WeakPolarHBondContact O-CG 3.47Å; P598-L602 PolarHBondContact O-N 3.18Å
599A98.6Very high98.7Very high69 Ų6958.6 Ų58.657%0.5730%0.301SS*.Hα-helixtrans-65.6-34.1179.900000113.6K597 L601 K603K597-A599 VanDerWaalsContact C-N 3.31Å; K597-A599 PolarHBondContact O-N 3.14Å; K597-A599 VanDerWaalsContact O-N 3.15Å; A599-L601 VanDerWaalsContact C-N 3.33Å; A599-K603 WeakPolarHBondContact O-CB 3.43Å; A599-K603 PolarHBondContact O-N 3.17Å
600E98.8Very high98.7Very high104 Ų10461.7 Ų61.749%0.48632%0.318SS..Hα-helixtrans-68-37.5177-64.8167.2170.100110.8K597 P598 M604K597-E600 HydrophobicContact CB-CB 4.43Å; K597-E600 HydrophobicContact CB-CG 4.02Å; K597-E600 WeakPolarHBondContact CB-OE2 3.45Å; K597-E600 PolarHBondContact N-OE2 3.27Å; K597-E600 WeakPolarHBondContact O-CB 3.48Å; K597-E600 PolarHBondContact O-N 3.11Å; P598-E600 VanDerWaalsContact C-N 3.35Å; P598-E600 PolarHBondContact O-N 3.34Å; E600-M604 VanDerWaalsContact O-CB 3.25Å; E600-M604 WeakPolarHBondContact O-CB 3.33Å; E600-M604 PolarHBondContact O-N 3.17Å
601L98.8Very high98.7Very high1 Ų158 Ų581%0.00530%0.301CS..Hα-helixtrans-72.6-44.9178.6-60.5-177.7000111.7V419 M429 R594 K597 P598 A599 K603 M604 F605V419-L601 HydrophobicContact CB-CB 3.99Å; V419-L601 HydrophobicContact CB-CD1 4.38Å; V419-L601 HydrophobicContact CG2-CB 3.81Å; V419-L601 WeakPolarHBondContact O-CD1 3.37Å; M429-L601 HydrophobicContact CE-CD1 3.63Å; R594-L601 HydrophobicContact CG-CD2 4.36Å; R594-L601 WeakPolarHBondContact O-CD1 3.47Å; R594-L601 WeakPolarHBondContact O-CD2 3.19Å; K597-L601 PolarHBondContact O-N 3.39Å; K597-L601 VanDerWaalsContact O-N 3.07Å; P598-L601 PolarHBondContact O-N 3.39Å; A599-L601 VanDerWaalsContact C-N 3.33Å; L601-K603 PolarHBondContact O-N 2.82Å; L601-M604 PolarHBondContact O-N 3.07Å; L601-M604 VanDerWaalsContact O-N 3.11Å; L601-F605 HydrophobicContact CB-CD2 4.34Å; L601-F605 HydrophobicContact CB-CE2 4.47Å; L601-F605 HydrophobicContact CD2-CE2 4.16Å; L601-F605 WeakPolarHBondContact O-CD2 3.38Å; L601-F605 PolarHBondContact O-N 3.37Å
602L98.9Very high98.8Very high9 Ų952.1 Ų52.15%0.04728%0.279CS..Hα-helixtrans-53.8-42.3173.9-67.9173.8000111.2V419 V510 E514 P598 G606 I607 D608V419-L602 HydrophobicContact CG2-CD2 4.04Å; V510-L602 HydrophobicContact CG2-CD2 4.28Å; E514-L602 HydrophobicContact CG-CD1 4.19Å; P598-L602 WeakPolarHBondContact O-CG 3.47Å; P598-L602 PolarHBondContact O-N 3.18Å; L602-G606 PolarHBondContact O-N 3.2Å; L602-G606 VanDerWaalsContact O-N 3.15Å; L602-I607 HydrophobicContact CB-CG1 4.41Å; L602-I607 HydrophobicContact CD2-CD1 3.62Å; L602-I607 HydrophobicContact CD2-CG1 3.8Å; L602-I607 PolarHBondContact O-N 2.86Å; L602-D608 HydrophobicContact CB-CB 3.88Å; L602-D608 PolarHBondContact O-N 2.57Å
603K98.8Very high98.8Very high120 Ų12047.8 Ų47.852%0.52225%0.253SS..Hα-helixtrans-67.1-47.8174.7-174.4164-173.3142.60113A599 L601 F605 G606 D608 D610A599-K603 WeakPolarHBondContact O-CB 3.43Å; A599-K603 PolarHBondContact O-N 3.17Å; L601-K603 PolarHBondContact O-N 2.82Å; K603-F605 PolarHBondContact O-N 3.41Å; K603-G606 PolarHBondContact O-N 3.05Å; K603-G606 VanDerWaalsContact O-N 3.15Å; K603-D608 HydrophobicContact CB-CB 4.48Å; K603-D608 VanDerWaalsContact CB-OD2 3.31Å; K603-D608 WeakPolarHBondContact CB-OD2 3.37Å; K603-D608 WeakPolarHBondContact CG-OD2 3.28Å; K603-D610 IonicContact NZ-OD2 2.7Å; K603-D610 PolarHBondContact NZ-OD2 2.92Å
604M98.8Very high98.8Very high87 Ų8753.4 Ų53.443%0.42928%0.279SS..Hα-helixtrans-59.5-35.1-179.4179.4178.3-63.500112.6R594 E600 L601R594-M604 HydrophobicContact CG-CE 4.43Å; R594-M604 HydrophobicContact CG-SD 3.71Å; E600-M604 VanDerWaalsContact O-CB 3.25Å; E600-M604 WeakPolarHBondContact O-CB 3.33Å; E600-M604 PolarHBondContact O-N 3.17Å; L601-M604 PolarHBondContact O-N 3.07Å; L601-M604 VanDerWaalsContact O-N 3.11Å
605F98.8Very high98.8Very high11 Ų1147.4 Ų47.45%0.04826%0.261CS..THydrogen-bonded Turntrans-97.77.2-179.5-64.3-71.4000113.6V419 V589 R591 P593 R594 L601 K603V419-F605 HydrophobicContact CB-CD2 4.34Å; V419-F605 HydrophobicContact CG1-CD2 3.96Å; V419-F605 HydrophobicContact CG1-CE2 4.41Å; V419-F605 HydrophobicContact CG2-CD2 4.27Å; V589-F605 HydrophobicContact CG1-CB 4.37Å; V589-F605 HydrophobicContact CG1-CD1 3.92Å; V589-F605 HydrophobicContact CG1-CG 4.14Å; V589-F605 HydrophobicContact CG2-CB 4.25Å; R591-F605 HydrophobicContact CG-CE1 4.03Å; P593-F605 HydrophobicContact CB-CE1 4.4Å; P593-F605 HydrophobicContact CB-CE2 3.74Å; P593-F605 HydrophobicContact CB-CZ 3.71Å; P593-F605 HydrophobicContact CG-CZ 4.5Å; R594-F605 HydrophobicContact CG-CZ 4.47Å; L601-F605 HydrophobicContact CB-CD2 4.34Å; L601-F605 HydrophobicContact CB-CE2 4.47Å; L601-F605 HydrophobicContact CD2-CE2 4.16Å; L601-F605 WeakPolarHBondContact O-CD2 3.38Å; L601-F605 PolarHBondContact O-N 3.37Å; K603-F605 PolarHBondContact O-N 3.41Å
606G98.8Very high98.8Very high26 Ų2645 Ų4527%0.26824%0.243SC..THydrogen-bonded Turntrans71.333.1167.900000114.7L602 K603 A611L602-G606 PolarHBondContact O-N 3.2Å; L602-G606 VanDerWaalsContact O-N 3.15Å; K603-G606 PolarHBondContact O-N 3.05Å; K603-G606 VanDerWaalsContact O-N 3.15Å; G606-A611 VanDerWaalsContact O-CB 3.24Å; G606-A611 WeakPolarHBondContact O-CB 3.45Å
607I98.9Very high98.8Very high0 Ų046.8 Ų46.80%025%0.247CC..  trans-126.911.8-178.658.1168.7000113V419 V559 D561 L587 V589 L602V419-I607 HydrophobicContact CG2-CD1 4.22Å; V559-I607 HydrophobicContact CG2-CB 3.92Å; V559-I607 HydrophobicContact CG2-CG2 4.16Å; D561-I607 HydrophobicContact CB-CD1 3.84Å; L587-I607 HydrophobicContact CB-CG2 4.32Å; V589-I607 HydrophobicContact CG2-CD1 3.95Å; L602-I607 HydrophobicContact CB-CG1 4.41Å; L602-I607 HydrophobicContact CD2-CD1 3.62Å; L602-I607 HydrophobicContact CD2-CG1 3.8Å; L602-I607 PolarHBondContact O-N 2.86Å
608D98.9Very high98.7Very high13 Ų1342.1 Ų42.17%0.0723%0.234CC..SBendtrans-84.9175172.577.3-19.2000112.5L602 K603 D610 A611 I612L602-D608 HydrophobicContact CB-CB 3.88Å; L602-D608 PolarHBondContact O-N 2.57Å; K603-D608 HydrophobicContact CB-CB 4.48Å; K603-D608 VanDerWaalsContact CB-OD2 3.31Å; K603-D608 WeakPolarHBondContact CB-OD2 3.37Å; K603-D608 WeakPolarHBondContact CG-OD2 3.28Å; D608-D610 PolarHBondContact O-N 3.43Å; D608-D610 PolarHBondContact OD1-N 2.9Å; D608-A611 PolarHBondContact O-N 3.23Å; D608-A611 WeakPolarHBondContact OD1-CB 3.35Å; D608-A611 PolarHBondContact OD1-N 2.88Å; D608-I612 VanDerWaalsContact O-CG1 3.31Å; D608-I612 WeakPolarHBondContact O-CG1 3.29Å; D608-I612 PolarHBondContact O-N 3.31Å
609K98.8Very high98.6Very high82 Ų8241.8 Ų41.836%0.35723%0.23SC..Hα-helixtrans-54.7-34.9177.868.9-171.6-179.6-171.40114.3E514 A517 A518 L521 A613E514-K609 WeakPolarHBondContact O-CB 3.43Å; E514-K609 WeakPolarHBondContact OE2-CB 3.38Å; E514-K609 PolarHBondContact OE2-N 3.33Å; A517-K609 HydrophobicContact CB-CB 3.97Å; A517-K609 HydrophobicContact CB-CD 3.86Å; A518-K609 HydrophobicContact CB-CB 4.1Å; A518-K609 WeakPolarHBondContact CB-O 3.45Å; L521-K609 HydrophobicContact CD1-CB 4.36Å; L521-K609 HydrophobicContact CD1-CD 4.04Å; L521-K609 HydrophobicContact CD1-CG 3.93Å; K609-A613 VanDerWaalsContact O-CB 3.31Å; K609-A613 WeakPolarHBondContact O-CB 3.46Å; K609-A613 PolarHBondContact O-N 2.75Å
610D98.8Very high98.4Very high66 Ų6640.3 Ų40.335%0.35321%0.213SC..Hα-helixtrans-69.7-44.6-178.4-69.7-19.6000109.3K603 D608 A613 Q614K603-D610 IonicContact NZ-OD2 2.7Å; K603-D610 PolarHBondContact NZ-OD2 2.92Å; D608-D610 PolarHBondContact O-N 3.43Å; D608-D610 PolarHBondContact OD1-N 2.9Å; D610-A613 PolarHBondContact O-N 3.2Å; D610-Q614 WeakPolarHBondContact O-CB 3.47Å; D610-Q614 PolarHBondContact O-N 3.27Å
611A98.9Very high97.7Very high22 Ų2240.7 Ų40.718%0.18222%0.222CC..Hα-helixtrans-63.4-43175.500000112.4L587 G606 D608 Q614 A615L587-A611 HydrophobicContact CD1-CB 4.45Å; G606-A611 VanDerWaalsContact O-CB 3.24Å; G606-A611 WeakPolarHBondContact O-CB 3.45Å; D608-A611 PolarHBondContact O-N 3.23Å; D608-A611 WeakPolarHBondContact OD1-CB 3.35Å; D608-A611 PolarHBondContact OD1-N 2.88Å; A611-Q614 PolarHBondContact O-N 3.06Å; A611-A615 WeakPolarHBondContact O-CB 3.25Å; A611-A615 PolarHBondContact O-N 3.34Å
612I98.9Very high95.9Very high0 Ų049.6 Ų49.60%026%0.261CS..Hα-helixtrans-60.4-49.6175.6-64.5163.7000110.2V505 E514 A515 A518 L557 V559 L587 D608 Q614 A615 V616V505-I612 HydrophobicContact CG1-CG2 4.07Å; V505-I612 HydrophobicContact CG2-CG2 4.49Å; E514-I612 HydrophobicContact CB-CD1 3.91Å; A515-I612 HydrophobicContact CB-CD1 4.21Å; A518-I612 HydrophobicContact CB-CB 3.83Å; A518-I612 HydrophobicContact CB-CG2 3.62Å; L557-I612 HydrophobicContact CD2-CG2 4.13Å; V559-I612 HydrophobicContact CB-CD1 4.33Å; V559-I612 HydrophobicContact CB-CG1 4.18Å; V559-I612 HydrophobicContact CG1-CD1 3.81Å; V559-I612 HydrophobicContact CG1-CG1 4.08Å; V559-I612 HydrophobicContact CG2-CD1 3.98Å; V559-I612 HydrophobicContact CG2-CG1 3.89Å; L587-I612 HydrophobicContact CD1-CG1 4.28Å; D608-I612 VanDerWaalsContact O-CG1 3.31Å; D608-I612 WeakPolarHBondContact O-CG1 3.29Å; D608-I612 PolarHBondContact O-N 3.31Å; I612-Q614 VanDerWaalsContact C-N 3.31Å; I612-Q614 PolarHBondContact O-N 3.38Å; I612-A615 PolarHBondContact O-N 3.4Å; I612-V616 HydrophobicContact CG2-CG2 4.45Å; I612-V616 WeakPolarHBondContact O-CG2 3.43Å; I612-V616 PolarHBondContact O-N 2.66Å
613A98.8Very high93.5Very high9 Ų954.7 Ų54.77%0.07430%0.304CS..Hα-helixtrans-59.9-42.1179.300000111.7A518 L522 K609 D610 V616 K617A518-A613 HydrophobicContact CB-CB 4.49Å; L522-A613 HydrophobicContact CD1-CB 4.46Å; L522-A613 HydrophobicContact CD2-CB 4.08Å; L522-A613 HydrophobicContact CG-CB 4.04Å; K609-A613 VanDerWaalsContact O-CB 3.31Å; K609-A613 WeakPolarHBondContact O-CB 3.46Å; K609-A613 PolarHBondContact O-N 2.75Å; D610-A613 PolarHBondContact O-N 3.2Å; A613-V616 PolarHBondContact O-N 3.1Å; A613-K617 WeakPolarHBondContact O-CG 3.18Å; A613-K617 PolarHBondContact O-N 3.38Å; A613-K617 VanDerWaalsContact O-N 3.1Å
614Q98.7Very high93.2Very high129 Ų12951.4 Ų51.460%0.60329%0.293SS*.Hα-helixtrans-64.8-43.3177.5-174.760.122.100112.3D610 A611 I612 K617 G618D610-Q614 WeakPolarHBondContact O-CB 3.47Å; D610-Q614 PolarHBondContact O-N 3.27Å; A611-Q614 PolarHBondContact O-N 3.06Å; I612-Q614 VanDerWaalsContact C-N 3.31Å; I612-Q614 PolarHBondContact O-N 3.38Å; Q614-K617 PolarHBondContact O-N 3.12Å; Q614-G618 PolarHBondContact O-N 3.19Å; Q614-G618 VanDerWaalsContact O-N 3.08Å
615A98.7Very high93Very high21 Ų2149.5 Ų49.517%0.17429%0.286CS..Hα-helixtrans-63.5-42.9177.100000111.9L557 L587 A611 I612 K617 G618 L619L557-A615 HydrophobicContact CD1-CB 4.13Å; L557-A615 HydrophobicContact CD2-CB 3.9Å; L587-A615 HydrophobicContact CD1-CB 3.92Å; L587-A615 HydrophobicContact CG-CB 4.47Å; A611-A615 WeakPolarHBondContact O-CB 3.25Å; A611-A615 PolarHBondContact O-N 3.34Å; I612-A615 PolarHBondContact O-N 3.4Å; A615-K617 PolarHBondContact O-N 3.43Å; A615-G618 PolarHBondContact O-N 3.34Å; A615-L619 WeakPolarHBondContact O-CG 3.46Å; A615-L619 PolarHBondContact O-N 2.91Å
616V98.8Very high92.6Very high0 Ų051.7 Ų51.70%030%0.299CS..Hα-helixtrans-58.3-48.1175.7168.60000111.2V503 V505 L522 I527 I529 L557 I612 A613 G618 L619 I620V503-V616 HydrophobicContact CG2-CG1 4.09Å; V505-V616 HydrophobicContact CG2-CG2 4.02Å; L522-V616 HydrophobicContact CD1-CB 3.97Å; L522-V616 HydrophobicContact CD1-CG1 3.81Å; L522-V616 HydrophobicContact CD1-CG2 4.14Å; L522-V616 HydrophobicContact CD2-CG1 4.31Å; I527-V616 HydrophobicContact CG2-CG1 4Å; I529-V616 HydrophobicContact CG2-CG1 3.69Å; I529-V616 HydrophobicContact CG2-CG2 4.03Å; L557-V616 HydrophobicContact CD2-CG2 3.8Å; I612-V616 HydrophobicContact CG2-CG2 4.45Å; I612-V616 WeakPolarHBondContact O-CG2 3.43Å; I612-V616 PolarHBondContact O-N 2.66Å; A613-V616 PolarHBondContact O-N 3.1Å; V616-G618 VanDerWaalsContact C-N 3.31Å; V616-G618 PolarHBondContact O-N 3.4Å; V616-L619 PolarHBondContact O-N 3.06Å; V616-L619 VanDerWaalsContact O-N 3.17Å; V616-I620 HydrophobicContact CG1-CD1 3.77Å; V616-I620 WeakPolarHBondContact O-CG1 3.4Å; V616-I620 PolarHBondContact O-N 3.3Å; V616-I620 VanDerWaalsContact O-N 3.14Å
617K98.3Very high92.3Very high54 Ų5453.2 Ų53.224%0.23530%0.301CS..Hα-helixtrans-58-45.1177.3-69.5174.7-168.3-167.40111.4L522 E525 I527 A613 Q614 A615 L619 I620 T621L522-K617 HydrophobicContact CD2-CG 4.07Å; E525-K617 WeakPolarHBondContact OE1-CE 3.24Å; E525-K617 IonicContact OE1-NZ 3.66Å; E525-K617 PolarHBondContact OE1-NZ 3.49Å; E525-K617 WeakPolarHBondContact OE2-CE 3.28Å; E525-K617 IonicContact OE2-NZ 2.7Å; E525-K617 PolarHBondContact OE2-NZ 3.3Å; I527-K617 HydrophobicContact CD1-CG 4.18Å; A613-K617 WeakPolarHBondContact O-CG 3.18Å; A613-K617 PolarHBondContact O-N 3.38Å; A613-K617 VanDerWaalsContact O-N 3.1Å; Q614-K617 PolarHBondContact O-N 3.12Å; A615-K617 PolarHBondContact O-N 3.43Å; K617-L619 VanDerWaalsContact C-N 3.29Å; K617-L619 PolarHBondContact O-N 2.76Å; K617-I620 PolarHBondContact O-N 3.28Å; K617-T621 WeakPolarHBondContact O-CG2 3.44Å; K617-T621 PolarHBondContact O-N 2.94Å; K617-T621 VanDerWaalsContact O-N 3.11Å; K617-T621 PolarHBondContact O-OG1 3.35Å
618G97.6Very high91.9Very high26 Ų2656.5 Ų56.527%0.26832%0.32SS..Hα-helixtrans-60.2-35.4177.600000113.9Q614 A615 V616 T621 K622Q614-G618 PolarHBondContact O-N 3.19Å; Q614-G618 VanDerWaalsContact O-N 3.08Å; A615-G618 PolarHBondContact O-N 3.34Å; V616-G618 VanDerWaalsContact C-N 3.31Å; V616-G618 PolarHBondContact O-N 3.4Å; G618-T621 PolarHBondContact O-OG1 3.17Å; G618-K622 WeakPolarHBondContact O-CG 3.5Å; G618-K622 PolarHBondContact O-N 3.41Å
619L96.3Very high91.4Very high28 Ų2859.4 Ų59.415%0.14734%0.336CS..Hα-helixtrans-72.6-31.5176.8-70.5170.5000113.4V503 L557 T585 A615 V616 K617V503-L619 HydrophobicContact CG1-CD1 4.19Å; V503-L619 HydrophobicContact CG2-CB 4.31Å; V503-L619 HydrophobicContact CG2-CD1 4.41Å; L557-L619 HydrophobicContact CB-CD1 4.27Å; T585-L619 VanDerWaalsContact OG1-CD2 3.29Å; T585-L619 WeakPolarHBondContact OG1-CD2 3.29Å; A615-L619 WeakPolarHBondContact O-CG 3.46Å; A615-L619 PolarHBondContact O-N 2.91Å; V616-L619 PolarHBondContact O-N 3.06Å; V616-L619 VanDerWaalsContact O-N 3.17Å; K617-L619 VanDerWaalsContact C-N 3.29Å; K617-L619 PolarHBondContact O-N 2.76Å
620I94.6Very high90.9Very high39 Ų3957.8 Ų57.820%0.234%0.335CS..Hα-helixtrans-74.8-38.1178.6-64.1164.5000110.7Q502 V503 I527 V616 K617Q502-I620 HydrophobicContact CB-CD1 3.6Å; Q502-I620 HydrophobicContact CB-CG1 3.89Å; Q502-I620 HydrophobicContact CG-CD1 3.91Å; Q502-I620 HydrophobicContact CG-CG1 4.4Å; V503-I620 HydrophobicContact CG2-CG1 4.42Å; I527-I620 HydrophobicContact CD1-CD1 4.12Å; I527-I620 HydrophobicContact CG1-CD1 4.28Å; I527-I620 HydrophobicContact CG2-CD1 3.47Å; I527-I620 VanDerWaalsContact CG2-CD1 3.47Å; V616-I620 HydrophobicContact CG1-CD1 3.77Å; V616-I620 WeakPolarHBondContact O-CG1 3.4Å; V616-I620 PolarHBondContact O-N 3.3Å; V616-I620 VanDerWaalsContact O-N 3.14Å; K617-I620 PolarHBondContact O-N 3.28Å
621T84.8Confident90.2Very high112 Ų11257.2 Ų57.269%0.68733%0.334SS*.Hα-helixtrans-79.7-16.4-176.454.10000114.9K617 G618K617-T621 WeakPolarHBondContact O-CG2 3.44Å; K617-T621 PolarHBondContact O-N 2.94Å; K617-T621 VanDerWaalsContact O-N 3.11Å; K617-T621 PolarHBondContact O-OG1 3.35Å; G618-T621 PolarHBondContact O-OG1 3.17Å
622K60Low89.5Confident188 Ų18860.1 Ų60.182%0.81735%0.346SS*.THydrogen-bonded Turntrans-90.4-3-179.2-78.6-177.7178.9-177.70114G618G618-K622 WeakPolarHBondContact O-CG 3.5Å; G618-K622 PolarHBondContact O-N 3.41Å
623A49Very low88.7Confident115 Ų11565.5 Ų65.595%0.9538%0.378SS*.  trans-101.20173.100000109.4

Retrieved 623 of 623 residues in 188 ms (Link to these results)

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