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Glutamine-dependent NAD(+) synthetase

Catalyzes the final step of the nicotinamide adenine dinucleotide (NAD) de novo synthesis pathway, the ATP-dependent amidation of deamido-NAD using L-glutamine as a nitrogen source.

AlphaFold DB , UniProt , Accession A0A096MPW7, Species PAPAN (Papio anubis, Olive baboon), Gene NADSYN1, Length 706 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
1M58.6Low90.8Very high218 Ų21837.5 Ų37.5100%1.07418%0.179SC*.  0118.20-71.3173.5-175.900105.8
2G69.7Low91.5Very high14 Ų1434.3 Ų34.314%0.14416%0.164CC..  trans-6113717300000110.5S308G2-S308 WeakPolarHBondContact CA-OG 3.15Å
3R86.9Confident92.1Very high123 Ų12331.8 Ų31.846%0.46415%0.152SC..  trans-114.5-65.1-171.8-133.7-171.2145.9158.73.6111.6D274 L275 E276 D312R3-D274 WeakPolarHBondContact CG-OD1 2.88Å; R3-D274 IonicContact CZ-OD2 3.2Å; R3-D274 IonicContact NE-OD1 3.74Å; R3-D274 IonicContact NE-OD2 2.75Å; R3-D274 PolarHBondContact NE-OD2 3.17Å; R3-D274 IonicContact NH2-OD2 3.44Å; R3-L275 PolarHBondContact O-N 2.8Å; R3-E276 HydrophobicContact CG-CG 3.7Å; R3-D312 WeakPolarHBondContact CB-OD2 3.41Å; R3-D312 PolarHBondContact N-OD2 2.99Å; R3-D312 VanDerWaalsContact N-OD2 3.16Å
4K95.2Very high92.6Very high33 Ų3329.5 Ų29.514%0.14314%0.141CC..EExtended strand (participates in β ladder)trans-95.3137-179.4-46.6-175.1-163.81490111.7T272 L273 D274 S308 D312 L313 A315 V317K4-T272 HydrophobicContact CB-CG2 4.27Å; K4-L273 CarbonylContact C-O 3.56Å; K4-L273 WeakPolarHBondContact CA-O 3.37Å; K4-D274 HydrophobicContact CG-CB 4.38Å; K4-S308 WeakPolarHBondContact O-CA 3.28Å; K4-S308 VanDerWaalsContact O-CB 3.23Å; K4-S308 WeakPolarHBondContact O-CB 3.49Å; K4-D312 HydrophobicContact CB-CB 4.09Å; K4-D312 VanDerWaalsContact CD-O 3.25Å; K4-D312 WeakPolarHBondContact CD-O 3.49Å; K4-D312 WeakPolarHBondContact CE-O 3.31Å; K4-D312 PolarHBondContact N-OD2 3.37Å; K4-D312 VanDerWaalsContact N-OD2 3.14Å; K4-D312 PolarHBondContact NZ-O 3.35Å; K4-L313 PolarHBondContact NZ-O 3.34Å; K4-A315 PolarHBondContact NZ-O 3.42Å; K4-V317 HydrophobicContact CD-CG2 3.88Å
5V96.9Very high93Very high1 Ų133.4 Ų33.41%0.00615%0.154CC..EExtended strand (participates in β ladder)trans-122.2139178-620000110V7 I195 I226 T272 L273 L275 L307V5-V7 HydrophobicContact CG2-CG1 4.28Å; V5-I195 HydrophobicContact CG2-CD1 4.35Å; V5-I226 HydrophobicContact CG2-CD1 4.33Å; V5-T272 CarbonylContact O-C 3.58Å; V5-T272 VanDerWaalsContact O-CA 3.29Å; V5-T272 WeakPolarHBondContact O-CA 3.21Å; V5-L273 PolarHBondContact N-O 2.89Å; V5-L273 PolarHBondContact O-N 2.78Å; V5-L275 HydrophobicContact CG1-CD1 3.71Å; V5-L275 HydrophobicContact CG1-CD2 4.43Å; V5-L275 HydrophobicContact CG1-CG 3.98Å; V5-L275 HydrophobicContact CG2-CD2 4.02Å; V5-L275 HydrophobicContact CG2-CG 4.18Å; V5-L307 HydrophobicContact CB-CD2 4.3Å; V5-L307 HydrophobicContact CG1-CB 3.91Å; V5-L307 HydrophobicContact CG1-CD2 4.24Å; V5-L307 HydrophobicContact CG1-CG 4.44Å
6T97.8Very high93.4Very high22 Ų2232.7 Ų32.714%0.13516%0.156CC..EExtended strand (participates in β ladder)trans-107.3121.5168.8-550000108.7A38 R39 A271 T272T6-A38 HydrophobicContact CG2-CB 4.28Å; T6-A38 VanDerWaalsContact O-CA 3.3Å; T6-A38 WeakPolarHBondContact O-CA 3.47Å; T6-R39 PolarHBondContact O-N 3.38Å; T6-A271 WeakPolarHBondContact CA-O 3.38Å; T6-T272 PolarHBondContact OG1-OG1 3.43Å
7V98.7Very high93.7Very high0 Ų034.1 Ų34.10%016%0.164CC..EExtended strand (participates in β ladder)trans-123.4150.5-176.3-620000110V5 I195 L228 I248 T270 A271 L307V5-V7 HydrophobicContact CG2-CG1 4.28Å; V7-I195 HydrophobicContact CG1-CD1 4.36Å; V7-L228 HydrophobicContact CB-CD1 4.48Å; V7-L228 HydrophobicContact CB-CD2 3.96Å; V7-L228 HydrophobicContact CG2-CD1 3.89Å; V7-L228 HydrophobicContact CG2-CD2 4.02Å; V7-L228 HydrophobicContact CG2-CG 4.25Å; V7-I248 HydrophobicContact CG2-CD1 4.49Å; V7-T270 VanDerWaalsContact O-CA 3.29Å; V7-T270 WeakPolarHBondContact O-CA 3.36Å; V7-A271 PolarHBondContact N-O 2.92Å; V7-A271 VanDerWaalsContact N-O 3.1Å; V7-A271 PolarHBondContact O-N 2.76Å; V7-L307 HydrophobicContact CG1-CD2 4.13Å
8A98.9Very high94Very high0 Ų034.3 Ų34.30%017%0.166CC..EExtended strand (participates in β ladder)trans-122.3140.4179.200000112.1A33 A38 Y40 R41 L42 L228 V268 L269 T270A8-A33 HydrophobicContact CB-CB 3.52Å; A8-A38 HydrophobicContact CB-CB 3.67Å; A8-Y40 PolarHBondContact N-O 2.88Å; A8-R41 HydrophobicContact CB-CB 4.4Å; A8-R41 WeakPolarHBondContact O-CA 3.17Å; A8-L42 PolarHBondContact O-N 3.13Å; A8-L228 WeakPolarHBondContact O-CD2 3.46Å; A8-V268 HydrophobicContact CB-CG1 4.13Å; A8-L269 WeakPolarHBondContact CA-O 3.38Å; A8-T270 HydrophobicContact CB-CG2 3.89Å
9T98.9Very high94.2Very high0 Ų034.2 Ų34.20%017%0.165CC..EExtended strand (participates in β ladder)trans-127163.2164-171.50000108.9L229 A230 A246 I248 L269T9-L229 WeakPolarHBondContact CG2-O 3.47Å; T9-L229 PolarHBondContact OG1-O 3.15Å; T9-A230 VanDerWaalsContact OG1-CA 3.29Å; T9-A230 WeakPolarHBondContact OG1-CA 3.32Å; T9-A230 VanDerWaalsContact OG1-CB 3.3Å; T9-A230 WeakPolarHBondContact OG1-CB 3.48Å; T9-A230 PolarHBondContact OG1-N 2.91Å; T9-A246 HydrophobicContact CG2-CB 4.21Å; T9-I248 HydrophobicContact CG2-CD1 4.26Å; T9-I248 HydrophobicContact CG2-CG1 3.74Å; T9-L269 HydrophobicContact CG2-CB 3.91Å; T9-L269 HydrophobicContact CG2-CD1 4.06Å; T9-L269 HydrophobicContact CG2-CG 4.39Å; T9-L269 PolarHBondContact N-O 2.9Å; T9-L269 PolarHBondContact O-N 3.19Å
10C98.9Very high94.4Very high1 Ų138.4 Ų38.41%0.00718%0.184CC..EExtended strand (participates in β ladder)trans-146.9163.5-177.364.20000113.8L12 R41 L42 A230 N231 E267 V268C10-L12 HydrophobicContact CB-CD2 4.4Å; C10-R41 PolarHBondContact SG-NH2 3.29Å; C10-L42 PolarHBondContact N-O 3.11Å; C10-L42 PolarHBondContact SG-O 3.31Å; C10-A230 WeakPolarHBondContact O-CA 3.45Å; C10-A230 VanDerWaalsContact O-CB 3.29Å; C10-A230 WeakPolarHBondContact O-CB 3.37Å; C10-N231 PolarHBondContact O-N 2.77Å; C10-E267 CarbonylContact C-O 3.52Å; C10-E267 WeakPolarHBondContact CA-O 3.4Å; C10-E267 WeakPolarHBondContact CB-O 3.13Å; C10-V268 HydrophobicContact CB-CG2 4.04Å
11A98.9Very high94.7Very high0 Ų036.9 Ų36.90%018%0.179CC..EExtended strand (participates in β ladder)trans-119.1126.3164.500000109.8N231 K233 A246 E267A11-N231 WeakPolarHBondContact CA-O 3.47Å; A11-N231 WeakPolarHBondContact CB-O 3.39Å; A11-K233 HydrophobicContact CB-CB 3.91Å; A11-K233 HydrophobicContact CB-CD 4.47Å; A11-A246 HydrophobicContact CB-CB 4.35Å; A11-E267 PolarHBondContact N-O 3.46Å; A11-E267 PolarHBondContact O-N 3.35Å
12L98.9Very high96.6Very high0 Ų026.5 Ų26.50%013%0.128CC..EExtended strand (participates in β ladder)trans-119.6139.4-176.5-58.2-170.4000111.3C10 Q14 R25 I26 P44 E47 Q232 K233 V266C10-L12 HydrophobicContact CB-CD2 4.4Å; L12-Q14 VanDerWaalsContact C-N 3.27Å; L12-Q14 HydrophobicContact CB-CG 3.97Å; L12-Q14 PolarHBondContact O-N 3.48Å; L12-Q14 VanDerWaalsContact O-N 3.16Å; L12-R25 HydrophobicContact CD1-CB 4.46Å; L12-I26 HydrophobicContact CD1-CG1 3.9Å; L12-P44 HydrophobicContact CB-CG 4.26Å; L12-P44 HydrophobicContact CG-CG 4.25Å; L12-E47 VanDerWaalsContact CD1-OE2 3.25Å; L12-E47 WeakPolarHBondContact CD1-OE2 3.32Å; L12-Q232 WeakPolarHBondContact O-CA 3.5Å; L12-Q232 WeakPolarHBondContact O-CG 3.49Å; L12-K233 PolarHBondContact O-N 3.02Å; L12-V266 HydrophobicContact CD2-CB 4.25Å; L12-V266 HydrophobicContact CD2-CG1 3.85Å; L12-V266 HydrophobicContact CD2-CG2 4.1Å
13N98.8Very high98Very high1 Ų126.9 Ų26.91%0.00513%0.126CC..  trans-88.264.3172.7-160.5-12.8000111.6R25 K233 G234 D265 D342 R345 R346N13-R25 WeakPolarHBondContact O-CD 3.3Å; N13-R25 PolarHBondContact O-NE 2.69Å; N13-K233 WeakPolarHBondContact CA-O 3.36Å; N13-K233 WeakPolarHBondContact CB-O 3.46Å; N13-K233 PolarHBondContact OD1-O 3.35Å; N13-G234 WeakPolarHBondContact OD1-CA 3.42Å; N13-D265 HydrophobicContact CB-CB 4.39Å; N13-D265 PolarHBondContact N-O 3.12Å; N13-D342 PolarHBondContact ND2-OD1 3.02Å; N13-D342 PolarHBondContact ND2-OD2 2.82Å; N13-R345 PolarHBondContact ND2-NH2 3.45Å; N13-R346 PolarHBondContact O-NH2 3.12Å; N13-R346 PolarHBondContact OD1-NH1 3.02Å; N13-R346 PolarHBondContact OD1-NH2 3.22Å
14Q98.9Very high98.5Very high0 Ų026.1 Ų26.10%013%0.128CC..  trans-64.8159.4177.8-56.8-55.960.100111.5L12 N22 E47 Q232 D236 R346L12-Q14 VanDerWaalsContact C-N 3.27Å; L12-Q14 HydrophobicContact CB-CG 3.97Å; L12-Q14 PolarHBondContact O-N 3.48Å; L12-Q14 VanDerWaalsContact O-N 3.16Å; Q14-N22 VanDerWaalsContact CA-OD1 3.3Å; Q14-N22 WeakPolarHBondContact CA-OD1 3.49Å; Q14-N22 WeakPolarHBondContact CB-OD1 3.43Å; Q14-N22 PolarHBondContact NE2-O 2.8Å; Q14-N22 PolarHBondContact OE1-OD1 2.97Å; Q14-E47 HydrophobicContact CG-CB 4.18Å; Q14-E47 WeakPolarHBondContact CG-O 3.27Å; Q14-E47 PolarHBondContact NE2-O 3.33Å; Q14-Q232 HydrophobicContact CB-CG 4.38Å; Q14-D236 WeakPolarHBondContact O-CB 3.22Å; Q14-R346 PolarHBondContact O-NH1 2.98Å
15W98.9Very high98.7Very high88 Ų8825.8 Ų25.833%0.33313%0.126SC..  trans-130.7130.6176.1-17411.7000108.8L17 D18 N22 D236 R346W15-L17 PolarHBondContact O-N 3.2Å; W15-D18 HydrophobicContact CB-CB 3.63Å; W15-D18 HydrophobicContact CD2-CB 4.12Å; W15-D18 HydrophobicContact CE3-CB 4Å; W15-D18 HydrophobicContact CG-CB 3.99Å; W15-D18 WeakPolarHBondContact O-CB 3.34Å; W15-D18 PolarHBondContact O-N 2.62Å; W15-D18 VanDerWaalsContact O-N 3.08Å; W15-N22 PolarHBondContact N-OD1 2.63Å; W15-N22 PolarHBondContact O-ND2 3.4Å; W15-N22 PolarHBondContact O-OD1 3.01Å; W15-D236 VanDerWaalsContact CD1-O 3.31Å; W15-R346 HydrophobicContact CD2-CG 4.33Å; W15-R346 HydrophobicContact CE3-CG 4.23Å; W15-R346 HydrophobicContact CH2-CB 3.87Å; W15-R346 HydrophobicContact CH2-CG 4.28Å; W15-R346 HydrophobicContact CZ2-CB 3.86Å; W15-R346 HydrophobicContact CZ2-CG 4.4Å; W15-R346 HydrophobicContact CZ3-CB 4.29Å; W15-R346 HydrophobicContact CZ3-CG 4.2Å
16A98.8Very high98.8Very high22 Ų2225.7 Ų25.718%0.18213%0.126CC..THydrogen-bonded Turntrans-52.8124.4-179.400000110.9D18 C49 G52 D236A16-D18 PolarHBondContact O-N 3.12Å; A16-D18 VanDerWaalsContact O-N 3.15Å; A16-C49 WeakPolarHBondContact CA-O 3.4Å; A16-G52 WeakPolarHBondContact CB-O 3.49Å; A16-D236 VanDerWaalsContact CB-O 3.29Å; A16-D236 WeakPolarHBondContact CB-O 3.39Å; A16-D236 PolarHBondContact N-O 3.32Å
17L98.8Very high98.9Very high57 Ų5726.6 Ų26.630%0.29813%0.129SC..THydrogen-bonded Turntrans65.31.4-179.3-48.6176.5000116.5W15 F19 C49 C53 H56 T62W15-L17 PolarHBondContact O-N 3.2Å; L17-F19 HydrophobicContact CB-CE2 4.32Å; L17-F19 HydrophobicContact CD2-CE2 4.19Å; L17-F19 HydrophobicContact CD2-CZ 4.14Å; L17-F19 WeakPolarHBondContact O-CD2 3.31Å; L17-F19 PolarHBondContact O-N 2.79Å; L17-C49 PolarHBondContact N-O 3.36Å; L17-C53 HydrophobicContact CD2-CB 4.43Å; L17-H56 HydrophobicContact CD1-CB 4.13Å; L17-H56 HydrophobicContact CD2-CB 4.08Å; L17-T62 HydrophobicContact CD2-CG2 4.44Å
18D98.8Very high98.9Very high38 Ų3830.7 Ų30.720%0.20315%0.147CC..  trans-76.264.4171.9177.825.1000110.4W15 A16 E20 G21 N22 R25W15-D18 HydrophobicContact CB-CB 3.63Å; W15-D18 HydrophobicContact CD2-CB 4.12Å; W15-D18 HydrophobicContact CE3-CB 4Å; W15-D18 HydrophobicContact CG-CB 3.99Å; W15-D18 WeakPolarHBondContact O-CB 3.34Å; W15-D18 PolarHBondContact O-N 2.62Å; W15-D18 VanDerWaalsContact O-N 3.08Å; A16-D18 PolarHBondContact O-N 3.12Å; A16-D18 VanDerWaalsContact O-N 3.15Å; D18-E20 PolarHBondContact O-N 2.74Å; D18-G21 PolarHBondContact O-N 3.48Å; D18-G21 PolarHBondContact OD1-N 3.42Å; D18-G21 WeakPolarHBondContact OD2-CA 3.36Å; D18-N22 WeakPolarHBondContact O-CB 3.43Å; D18-N22 PolarHBondContact O-N 2.9Å; D18-N22 PolarHBondContact O-ND2 2.81Å; D18-R25 IonicContact OD2-CZ 2.71Å; D18-R25 IonicContact OD2-NH1 3.15Å; D18-R25 PolarHBondContact OD2-NH1 3.3Å; D18-R25 IonicContact OD2-NH2 3.66Å; D18-R25 PolarHBondContact OD2-NH2 2.78Å
19F98.9Very high98.9Very high31 Ų3130.7 Ų30.714%0.13615%0.147CC..Hα-helixtrans-57.6-35.4-174.1-68.1-71.5000112.9L17 L23 I48 C49 T62 H65 V69L17-F19 HydrophobicContact CB-CE2 4.32Å; L17-F19 HydrophobicContact CD2-CE2 4.19Å; L17-F19 HydrophobicContact CD2-CZ 4.14Å; L17-F19 WeakPolarHBondContact O-CD2 3.31Å; L17-F19 PolarHBondContact O-N 2.79Å; F19-L23 WeakPolarHBondContact O-CB 3.35Å; F19-L23 PolarHBondContact O-N 3Å; F19-I48 HydrophobicContact CD1-CG2 4.48Å; F19-C49 HydrophobicContact CE1-CB 3.79Å; F19-C49 HydrophobicContact CZ-CB 4.27Å; F19-T62 HydrophobicContact CZ-CG2 4.5Å; F19-H65 HydrophobicContact CD1-CB 3.9Å; F19-H65 HydrophobicContact CD2-CB 3.56Å; F19-H65 HydrophobicContact CE1-CB 3.77Å; F19-H65 HydrophobicContact CE2-CB 3.43Å; F19-H65 VanDerWaalsContact CE2-CB 3.43Å; F19-H65 AromaticContact CE2-CD2 3.9Å; F19-H65 AromaticContact CE2-CG 3.97Å; F19-H65 HydrophobicContact CG-CB 3.81Å; F19-H65 HydrophobicContact CZ-CB 3.55Å; F19-V69 HydrophobicContact CB-CG2 3.82Å; F19-V69 HydrophobicContact CD1-CG2 4.05Å; F19-V69 HydrophobicContact CG-CG2 4.36Å
20E98.9Very high98.9Very high119 Ų11930.7 Ų30.756%0.55615%0.147SC*.Hα-helixtrans-67.1-55.2177.4-17760.9-144.300111.2D18 N22 L23 Q24D18-E20 PolarHBondContact O-N 2.74Å; E20-N22 VanDerWaalsContact C-N 3.33Å; E20-N22 PolarHBondContact O-N 3.26Å; E20-L23 PolarHBondContact O-N 3.31Å; E20-Q24 VanDerWaalsContact O-CG 3.31Å; E20-Q24 WeakPolarHBondContact O-CG 3.48Å; E20-Q24 PolarHBondContact O-N 3.23Å; E20-Q24 PolarHBondContact OE1-NE2 2.99Å
21G98.8Very high98.9Very high7 Ų734.1 Ų34.17%0.07216%0.163CC..Hα-helixtrans-64.7-37.9178.700000112.3D18 Q24 R25D18-G21 PolarHBondContact O-N 3.48Å; D18-G21 PolarHBondContact OD1-N 3.42Å; D18-G21 WeakPolarHBondContact OD2-CA 3.36Å; G21-Q24 PolarHBondContact O-N 3.33Å; G21-R25 WeakPolarHBondContact O-CB 3.43Å; G21-R25 VanDerWaalsContact O-CG 3.29Å; G21-R25 WeakPolarHBondContact O-CG 3.28Å; G21-R25 PolarHBondContact O-N 3Å; G21-R25 PolarHBondContact O-NH1 3.4Å
22N98.9Very high98.9Very high0 Ų035.8 Ų35.80%017%0.171CC..Hα-helixtrans-63.1-43.6176.4-68.6-16.6000111.5Q14 W15 D18 E20 R25 I26 I48 C49Q14-N22 VanDerWaalsContact CA-OD1 3.3Å; Q14-N22 WeakPolarHBondContact CA-OD1 3.49Å; Q14-N22 WeakPolarHBondContact CB-OD1 3.43Å; Q14-N22 PolarHBondContact NE2-O 2.8Å; Q14-N22 PolarHBondContact OE1-OD1 2.97Å; W15-N22 PolarHBondContact N-OD1 2.63Å; W15-N22 PolarHBondContact O-ND2 3.4Å; W15-N22 PolarHBondContact O-OD1 3.01Å; D18-N22 WeakPolarHBondContact O-CB 3.43Å; D18-N22 PolarHBondContact O-N 2.9Å; D18-N22 PolarHBondContact O-ND2 2.81Å; E20-N22 VanDerWaalsContact C-N 3.33Å; E20-N22 PolarHBondContact O-N 3.26Å; N22-R25 PolarHBondContact O-N 2.86Å; N22-R25 PolarHBondContact OD1-NH1 2.66Å; N22-I26 WeakPolarHBondContact O-CD1 3.25Å; N22-I26 WeakPolarHBondContact O-CG1 3.2Å; N22-I26 PolarHBondContact O-N 3.11Å; N22-I48 WeakPolarHBondContact CB-O 3.4Å; N22-I48 PolarHBondContact ND2-O 3.24Å; N22-C49 PolarHBondContact ND2-O 3.07Å
23L98.9Very high98.9Very high21 Ų2135.8 Ų35.811%0.1117%0.171CC..Hα-helixtrans-58-49.2173.2169.861.2000111.1F19 E20 R25 I26 L27 V69 A72 L73F19-L23 WeakPolarHBondContact O-CB 3.35Å; F19-L23 PolarHBondContact O-N 3Å; E20-L23 PolarHBondContact O-N 3.31Å; L23-R25 PolarHBondContact O-N 2.93Å; L23-I26 PolarHBondContact O-N 3.29Å; L23-L27 HydrophobicContact CD1-CD1 3.77Å; L23-L27 HydrophobicContact CD1-CG 3.92Å; L23-L27 HydrophobicContact CG-CD1 3.94Å; L23-L27 HydrophobicContact CG-CG 4.47Å; L23-L27 WeakPolarHBondContact O-CB 3.44Å; L23-L27 WeakPolarHBondContact O-CG 3.21Å; L23-L27 PolarHBondContact O-N 3.22Å; L23-V69 HydrophobicContact CB-CG1 3.97Å; L23-V69 HydrophobicContact CB-CG2 4.39Å; L23-V69 HydrophobicContact CD1-CG1 4Å; L23-V69 HydrophobicContact CG-CG1 4.48Å; L23-A72 HydrophobicContact CD1-CB 4.07Å; L23-A72 HydrophobicContact CD2-CB 3.84Å; L23-L73 HydrophobicContact CD1-CD2 3.57Å; L23-L73 HydrophobicContact CD1-CG 3.79Å
24Q98.9Very high98.8Very high107 Ų10738.9 Ų38.950%0.519%0.185SC..Hα-helixtrans-61.5-43.8-179.1-69.2172.57.600112.1E20 G21 L27 K28E20-Q24 VanDerWaalsContact O-CG 3.31Å; E20-Q24 WeakPolarHBondContact O-CG 3.48Å; E20-Q24 PolarHBondContact O-N 3.23Å; E20-Q24 PolarHBondContact OE1-NE2 2.99Å; G21-Q24 PolarHBondContact O-N 3.33Å; Q24-L27 PolarHBondContact O-N 3.39Å; Q24-K28 WeakPolarHBondContact O-CB 3.22Å; Q24-K28 PolarHBondContact O-N 3.26Å
25R98.9Very high98.8Very high26 Ų2644.8 Ų44.810%0.09822%0.217CC..Hα-helixtrans-63.8-40.9176.6-69.7173.6-162108.83.9111.9L12 N13 D18 G21 N22 L23 K28 S29 D265 V266L12-R25 HydrophobicContact CD1-CB 4.46Å; N13-R25 WeakPolarHBondContact O-CD 3.3Å; N13-R25 PolarHBondContact O-NE 2.69Å; D18-R25 IonicContact OD2-CZ 2.71Å; D18-R25 IonicContact OD2-NH1 3.15Å; D18-R25 PolarHBondContact OD2-NH1 3.3Å; D18-R25 IonicContact OD2-NH2 3.66Å; D18-R25 PolarHBondContact OD2-NH2 2.78Å; G21-R25 WeakPolarHBondContact O-CB 3.43Å; G21-R25 VanDerWaalsContact O-CG 3.29Å; G21-R25 WeakPolarHBondContact O-CG 3.28Å; G21-R25 PolarHBondContact O-N 3Å; G21-R25 PolarHBondContact O-NH1 3.4Å; N22-R25 PolarHBondContact O-N 2.86Å; N22-R25 PolarHBondContact OD1-NH1 2.66Å; L23-R25 PolarHBondContact O-N 2.93Å; R25-K28 PolarHBondContact O-N 3.43Å; R25-S29 PolarHBondContact O-N 3.45Å; R25-D265 HydrophobicContact CG-CB 4.47Å; R25-D265 IonicContact CZ-OD2 2.85Å; R25-D265 IonicContact NE-OD2 2.68Å; R25-D265 PolarHBondContact NE-OD2 3.29Å; R25-D265 IonicContact NH2-OD2 2.71Å; R25-D265 PolarHBondContact NH2-OD2 2.87Å; R25-V266 HydrophobicContact CB-CG2 3.9Å; R25-V266 HydrophobicContact CG-CG2 4.02Å
26I98.9Very high98.7Very high0 Ų046.8 Ų46.80%022%0.224CC..Hα-helixtrans-62.4-53.1174.9-66.6163000110.2L12 N22 L23 K28 S29 I30 E47 I48 L73 V86L12-I26 HydrophobicContact CD1-CG1 3.9Å; N22-I26 WeakPolarHBondContact O-CD1 3.25Å; N22-I26 WeakPolarHBondContact O-CG1 3.2Å; N22-I26 PolarHBondContact O-N 3.11Å; L23-I26 PolarHBondContact O-N 3.29Å; I26-K28 VanDerWaalsContact C-N 3.29Å; I26-K28 PolarHBondContact O-N 2.98Å; I26-S29 PolarHBondContact O-N 3.38Å; I26-S29 VanDerWaalsContact O-N 3.12Å; I26-S29 PolarHBondContact O-OG 2.78Å; I26-I30 HydrophobicContact CG2-CD1 3.79Å; I26-I30 HydrophobicContact CG2-CG1 4.49Å; I26-I30 WeakPolarHBondContact O-CG1 3.47Å; I26-I30 PolarHBondContact O-N 3.21Å; I26-E47 HydrophobicContact CD1-CB 4.47Å; I26-E47 HydrophobicContact CD1-CG 3.85Å; I26-E47 HydrophobicContact CG1-CG 4.17Å; I26-I48 HydrophobicContact CD1-CG1 3.88Å; I26-L73 HydrophobicContact CB-CD2 4.28Å; I26-L73 HydrophobicContact CG2-CD1 4.03Å; I26-L73 HydrophobicContact CG2-CD2 3.64Å; I26-V86 HydrophobicContact CG2-CG1 4.28Å
27L98.9Very high98.6Very high41 Ų4147.9 Ų47.922%0.21524%0.237CC..Hα-helixtrans-55.1-44.7178.2-74.7172.3000111.7L23 Q24 S29 I30 E31 L73 S76 V78L23-L27 HydrophobicContact CD1-CD1 3.77Å; L23-L27 HydrophobicContact CD1-CG 3.92Å; L23-L27 HydrophobicContact CG-CD1 3.94Å; L23-L27 HydrophobicContact CG-CG 4.47Å; L23-L27 WeakPolarHBondContact O-CB 3.44Å; L23-L27 WeakPolarHBondContact O-CG 3.21Å; L23-L27 PolarHBondContact O-N 3.22Å; Q24-L27 PolarHBondContact O-N 3.39Å; L27-S29 VanDerWaalsContact C-N 3.33Å; L27-S29 PolarHBondContact O-N 3.45Å; L27-I30 PolarHBondContact O-N 2.83Å; L27-E31 PolarHBondContact O-N 3.32Å; L27-L73 HydrophobicContact CD2-CD2 3.73Å; L27-L73 HydrophobicContact CG-CD2 3.91Å; L27-S76 WeakPolarHBondContact CD2-OG 3.43Å; L27-V78 HydrophobicContact CD2-CG1 3.59Å
28K98.9Very high98.5Very high86 Ų8645.4 Ų45.437%0.37423%0.225SC..Hα-helixtrans-62.7-40.5179.1-173.656.5175.4-179.30112.2Q24 R25 I26 I30 E31 I32 V266Q24-K28 WeakPolarHBondContact O-CB 3.22Å; Q24-K28 PolarHBondContact O-N 3.26Å; R25-K28 PolarHBondContact O-N 3.43Å; I26-K28 VanDerWaalsContact C-N 3.29Å; I26-K28 PolarHBondContact O-N 2.98Å; K28-I30 VanDerWaalsContact C-N 3.35Å; K28-E31 WeakPolarHBondContact CD-OE2 3.29Å; K28-E31 IonicContact NZ-OE1 3.17Å; K28-E31 IonicContact NZ-OE2 3.85Å; K28-E31 PolarHBondContact NZ-OE2 2.9Å; K28-E31 WeakPolarHBondContact O-CB 3.07Å; K28-E31 PolarHBondContact O-N 2.98Å; K28-I32 HydrophobicContact CD-CD1 4.36Å; K28-I32 HydrophobicContact CG-CD1 4.04Å; K28-I32 VanDerWaalsContact O-CG1 3.27Å; K28-I32 WeakPolarHBondContact O-CG1 3.46Å; K28-I32 PolarHBondContact O-N 2.92Å; K28-V266 HydrophobicContact CB-CG2 4.26Å; K28-V266 HydrophobicContact CG-CG1 4.45Å; K28-V266 HydrophobicContact CG-CG2 4.33Å
29S98.9Very high98.5Very high0 Ų046.4 Ų46.40%023%0.226CC..Hα-helixtrans-67.1-35.717776.40000112.7R25 I26 L27 A33 R41R25-S29 PolarHBondContact O-N 3.45Å; I26-S29 PolarHBondContact O-N 3.38Å; I26-S29 VanDerWaalsContact O-N 3.12Å; I26-S29 PolarHBondContact O-OG 2.78Å; L27-S29 VanDerWaalsContact C-N 3.33Å; L27-S29 PolarHBondContact O-N 3.45Å; S29-A33 VanDerWaalsContact O-CB 3.3Å; S29-A33 WeakPolarHBondContact O-CB 3.45Å; S29-A33 PolarHBondContact O-N 2.94Å; S29-R41 PolarHBondContact OG-NE 2.92Å; S29-R41 PolarHBondContact OG-NH2 3.11Å
30I98.9Very high98.5Very high0 Ų045 Ų450%022%0.22CC..Hα-helixtrans-67.4-43.7175.2-64166.3000110.1I26 L27 K28 I32 A33 K34 R41 L73 V78 T79 I82I26-I30 HydrophobicContact CG2-CD1 3.79Å; I26-I30 HydrophobicContact CG2-CG1 4.49Å; I26-I30 WeakPolarHBondContact O-CG1 3.47Å; I26-I30 PolarHBondContact O-N 3.21Å; L27-I30 PolarHBondContact O-N 2.83Å; K28-I30 VanDerWaalsContact C-N 3.35Å; I30-I32 PolarHBondContact O-N 2.84Å; I30-A33 PolarHBondContact O-N 2.94Å; I30-K34 PolarHBondContact O-N 3.01Å; I30-R41 HydrophobicContact CG1-CG 4.3Å; I30-L73 HydrophobicContact CD1-CD2 4.42Å; I30-V78 HydrophobicContact CB-CG1 4.46Å; I30-V78 HydrophobicContact CG2-CG1 4.16Å; I30-V78 HydrophobicContact CG2-CG2 4.39Å; I30-T79 HydrophobicContact CD1-CG2 3.9Å; I30-T79 HydrophobicContact CG2-CG2 4.31Å; I30-I82 HydrophobicContact CG2-CG2 4.02Å
31E98.9Very high98.5Very high72 Ų7239.4 Ų39.434%0.33619%0.193SC..Hα-helixtrans-56-51.2174.4-165.9-160.4169.200111.3L27 K28 A33 K34 N35 V78L27-E31 PolarHBondContact O-N 3.32Å; K28-E31 WeakPolarHBondContact CD-OE2 3.29Å; K28-E31 IonicContact NZ-OE1 3.17Å; K28-E31 IonicContact NZ-OE2 3.85Å; K28-E31 PolarHBondContact NZ-OE2 2.9Å; K28-E31 WeakPolarHBondContact O-CB 3.07Å; K28-E31 PolarHBondContact O-N 2.98Å; E31-A33 PolarHBondContact O-N 3.23Å; E31-K34 PolarHBondContact O-N 3.34Å; E31-N35 WeakPolarHBondContact O-CB 3.17Å; E31-N35 PolarHBondContact O-N 3.41Å; E31-N35 PolarHBondContact O-ND2 2.68Å; E31-V78 HydrophobicContact CB-CG2 3.71Å; E31-V78 HydrophobicContact CG-CG2 4.04Å
32I98.8Very high98.5Very high35 Ų3539 Ų3918%0.17919%0.19CC..Hα-helixtrans-62.2-43.3179.4-66.8164.4000110.8K28 I30 K34 N35 R36 V266 V268K28-I32 HydrophobicContact CD-CD1 4.36Å; K28-I32 HydrophobicContact CG-CD1 4.04Å; K28-I32 VanDerWaalsContact O-CG1 3.27Å; K28-I32 WeakPolarHBondContact O-CG1 3.46Å; K28-I32 PolarHBondContact O-N 2.92Å; I30-I32 PolarHBondContact O-N 2.84Å; I32-K34 PolarHBondContact O-N 3.47Å; I32-N35 PolarHBondContact O-N 2.73Å; I32-R36 WeakPolarHBondContact O-CG 3.28Å; I32-R36 PolarHBondContact O-N 3.05Å; I32-R36 VanDerWaalsContact O-N 3.12Å; I32-V266 HydrophobicContact CD1-CG1 4.07Å; I32-V268 HydrophobicContact CB-CB 4.37Å; I32-V268 HydrophobicContact CB-CG2 3.98Å; I32-V268 HydrophobicContact CD1-CG2 4.32Å; I32-V268 HydrophobicContact CG2-CB 3.74Å; I32-V268 HydrophobicContact CG2-CG1 4.17Å; I32-V268 HydrophobicContact CG2-CG2 3.89Å
33A98.8Very high98.5Very high0 Ų039 Ų390%019%0.19CC..Hα-helixtrans-58.9-47177.900000111.5A8 S29 I30 E31 R36 G37 A38 R41 I82 V268A8-A33 HydrophobicContact CB-CB 3.52Å; S29-A33 VanDerWaalsContact O-CB 3.3Å; S29-A33 WeakPolarHBondContact O-CB 3.45Å; S29-A33 PolarHBondContact O-N 2.94Å; I30-A33 PolarHBondContact O-N 2.94Å; E31-A33 PolarHBondContact O-N 3.23Å; A33-R36 CarbonylContact O-C 3.59Å; A33-R36 PolarHBondContact O-N 2.87Å; A33-G37 PolarHBondContact O-N 3.39Å; A33-A38 HydrophobicContact CB-CB 4.08Å; A33-A38 VanDerWaalsContact O-CB 3.28Å; A33-A38 WeakPolarHBondContact O-CB 3.45Å; A33-A38 PolarHBondContact O-N 3.47Å; A33-R41 HydrophobicContact CB-CB 4.23Å; A33-R41 HydrophobicContact CB-CG 4.17Å; A33-I82 HydrophobicContact CB-CD1 4.1Å; A33-V268 HydrophobicContact CB-CG1 4.29Å
34K97.8Very high98.5Very high67 Ų6738 Ų3829%0.29119%0.185SC..Hα-helixtrans-64.7-42.8176.8-76.7-171.264.2161.40113.3I30 E31 I32 R36 G37 V78 Q80 I82I30-K34 PolarHBondContact O-N 3.01Å; E31-K34 PolarHBondContact O-N 3.34Å; I32-K34 PolarHBondContact O-N 3.47Å; K34-R36 PolarHBondContact O-N 2.86Å; K34-R36 VanDerWaalsContact O-N 3.15Å; K34-G37 WeakPolarHBondContact O-CA 3.46Å; K34-G37 PolarHBondContact O-N 2.87Å; K34-V78 WeakPolarHBondContact CD-O 3.37Å; K34-V78 PolarHBondContact NZ-O 2.87Å; K34-Q80 PolarHBondContact NZ-O 2.79Å; K34-I82 HydrophobicContact CD-CB 4.34Å; K34-I82 HydrophobicContact CD-CG2 3.76Å; K34-I82 HydrophobicContact CG-CB 4.12Å; K34-I82 HydrophobicContact CG-CD1 3.79Å; K34-I82 HydrophobicContact CG-CG2 3.94Å
35N98.1Very high98.5Very high124 Ų12433 Ų3366%0.66316%0.161SC*.Hα-helixtrans-61.4-23.4176.9-69.7-15.3000112E31 I32E31-N35 WeakPolarHBondContact O-CB 3.17Å; E31-N35 PolarHBondContact O-N 3.41Å; E31-N35 PolarHBondContact O-ND2 2.68Å; I32-N35 PolarHBondContact O-N 2.73Å
36R97.3Very high98.5Very high130 Ų13031.7 Ų31.749%0.49116%0.156SC..THydrogen-bonded Turntrans-95.29.2173.5-65.2-179.8-173.7-179.26.9113.8I32 A33 K34 V268 T270I32-R36 WeakPolarHBondContact O-CG 3.28Å; I32-R36 PolarHBondContact O-N 3.05Å; I32-R36 VanDerWaalsContact O-N 3.12Å; A33-R36 CarbonylContact O-C 3.59Å; A33-R36 PolarHBondContact O-N 2.87Å; K34-R36 PolarHBondContact O-N 2.86Å; K34-R36 VanDerWaalsContact O-N 3.15Å; R36-V268 PolarHBondContact NH1-O 2.85Å; R36-T270 HydrophobicContact CB-CG2 3.82Å
37G95.8Very high98.5Very high45 Ų4531.7 Ų31.746%0.46416%0.156SC..THydrogen-bonded Turntrans82.39.617500000115.5A33 K34A33-G37 PolarHBondContact O-N 3.39Å; K34-G37 WeakPolarHBondContact O-CA 3.46Å; K34-G37 PolarHBondContact O-N 2.87Å
38A97.8Very high98.5Very high4 Ų429.8 Ų29.83%0.03315%0.146CC..  trans-69.9141-179.200000112.6T6 A8 A33 I82 T270T6-A38 HydrophobicContact CG2-CB 4.28Å; T6-A38 VanDerWaalsContact O-CA 3.3Å; T6-A38 WeakPolarHBondContact O-CA 3.47Å; A8-A38 HydrophobicContact CB-CB 3.67Å; A33-A38 HydrophobicContact CB-CB 4.08Å; A33-A38 VanDerWaalsContact O-CB 3.28Å; A33-A38 WeakPolarHBondContact O-CB 3.45Å; A33-A38 PolarHBondContact O-N 3.47Å; A38-I82 WeakPolarHBondContact O-CD1 3.24Å; A38-T270 HydrophobicContact CB-CG2 4.33Å
39R98.1Very high98.5Very high60 Ų6025.7 Ų25.723%0.22613%0.128CC..SBendtrans-109-7178.9-67.2-86.5-76.6-179.2-6.3112.9T6 D81 I83 F305 A306 L307T6-R39 PolarHBondContact O-N 3.38Å; R39-D81 PolarHBondContact NH1-O 2.98Å; R39-I83 PolarHBondContact O-N 2.62Å; R39-F305 HydrophobicContact CB-CE1 4.3Å; R39-F305 VanDerWaalsContact NH1-CE2 3.31Å; R39-A306 VanDerWaalsContact CZ-O 3.31Å; R39-A306 PolarHBondContact NE-O 2.83Å; R39-A306 PolarHBondContact NH2-O 3.08Å; R39-L307 HydrophobicContact CB-CD1 4.35Å; R39-L307 HydrophobicContact CB-CG 4.23Å; R39-L307 VanDerWaalsContact CB-O 3.27Å; R39-L307 WeakPolarHBondContact CB-O 3.13Å; R39-L307 VanDerWaalsContact CG-O 3.28Å; R39-L307 WeakPolarHBondContact CG-O 3.3Å
40Y98.8Very high98.5Very high2 Ų225.7 Ų25.71%0.00813%0.128CC..EExtended strand (participates in β ladder)trans-135.5135.2169.6-168.2-80.6000109.3A8 L42 I83 D85 I170 T197 L228A8-Y40 PolarHBondContact N-O 2.88Å; Y40-L42 HydrophobicContact CE1-CB 4.11Å; Y40-I83 CarbonylContact C-O 3.55Å; Y40-I83 WeakPolarHBondContact CA-O 3.36Å; Y40-I83 HydrophobicContact CD2-CB 3.66Å; Y40-I83 HydrophobicContact CD2-CD1 4.34Å; Y40-I83 HydrophobicContact CD2-CG2 3.52Å; Y40-I83 HydrophobicContact CE2-CB 4.14Å; Y40-I83 HydrophobicContact CE2-CG2 3.43Å; Y40-I83 VanDerWaalsContact CE2-CG2 3.43Å; Y40-I83 HydrophobicContact CG-CB 4.42Å; Y40-D85 HydrophobicContact CE1-CB 3.97Å; Y40-D85 WeakPolarHBondContact OH-CB 3.19Å; Y40-D85 PolarHBondContact OH-OD2 2.92Å; Y40-I170 HydrophobicContact CD2-CD1 3.66Å; Y40-I170 HydrophobicContact CE2-CD1 3.86Å; Y40-I170 HydrophobicContact CE2-CG2 3.94Å; Y40-T197 HydrophobicContact CD1-CG2 4.38Å; Y40-T197 HydrophobicContact CE1-CG2 3.51Å; Y40-L228 HydrophobicContact CD1-CD2 4.44Å
41R98.9Very high98.5Very high0 Ų026.5 Ų26.50%013%0.131CC..EExtended strand (participates in β ladder)trans-123.5123.5171179-85.8-173.1-171-4.8110.3A8 C10 S29 I30 A33 G43 E47 I82 I83 D85A8-R41 HydrophobicContact CB-CB 4.4Å; A8-R41 WeakPolarHBondContact O-CA 3.17Å; C10-R41 PolarHBondContact SG-NH2 3.29Å; S29-R41 PolarHBondContact OG-NE 2.92Å; S29-R41 PolarHBondContact OG-NH2 3.11Å; I30-R41 HydrophobicContact CG1-CG 4.3Å; A33-R41 HydrophobicContact CB-CB 4.23Å; A33-R41 HydrophobicContact CB-CG 4.17Å; R41-G43 VanDerWaalsContact NH1-CA 3.3Å; R41-E47 IonicContact CZ-OE1 2.76Å; R41-E47 IonicContact CZ-OE2 3.59Å; R41-E47 IonicContact NH1-OE1 3.82Å; R41-E47 PolarHBondContact NH1-OE1 3.41Å; R41-E47 IonicContact NH1-OE2 3.34Å; R41-E47 PolarHBondContact NH1-OE2 3.27Å; R41-E47 IonicContact NH2-OE1 2.95Å; R41-E47 IonicContact NH2-OE2 2.76Å; R41-E47 PolarHBondContact NH2-OE2 3.19Å; R41-I82 HydrophobicContact CB-CD1 3.83Å; R41-I82 HydrophobicContact CB-CG1 4.44Å; R41-I83 PolarHBondContact N-O 3.04Å; R41-D85 PolarHBondContact O-N 2.83Å
42L98.9Very high98.4Very high0 Ų023.3 Ų23.30%012%0.118CC..EExtended strand (participates in β ladder)trans-96.7129.3170.2179.861.5000111A8 C10 Y40 D85 T197 A199 L228 A230A8-L42 PolarHBondContact O-N 3.13Å; C10-L42 PolarHBondContact N-O 3.11Å; C10-L42 PolarHBondContact SG-O 3.31Å; Y40-L42 HydrophobicContact CE1-CB 4.11Å; L42-D85 HydrophobicContact CD1-CB 4.24Å; L42-D85 WeakPolarHBondContact CD1-OD2 3.43Å; L42-T197 HydrophobicContact CD1-CG2 4.46Å; L42-T197 HydrophobicContact CD2-CG2 4.39Å; L42-A199 HydrophobicContact CD1-CB 4.23Å; L42-L228 HydrophobicContact CB-CD2 4.25Å; L42-L228 HydrophobicContact CD2-CB 3.63Å; L42-L228 WeakPolarHBondContact CD2-O 3.41Å; L42-A230 HydrophobicContact CD2-CB 3.92Å; L42-A230 HydrophobicContact CG-CB 3.7Å
43G98.9Very high98.4Very high0 Ų021.7 Ų21.70%011%0.11CC..  trans-109.7168.1169.300000114.7R41 E47 D85 R100 A199 A230R41-G43 VanDerWaalsContact NH1-CA 3.3Å; G43-E47 WeakPolarHBondContact CA-OE2 3.24Å; G43-D85 PolarHBondContact N-O 3.28Å; G43-D85 VanDerWaalsContact N-O 3.12Å; G43-R100 PolarHBondContact O-NH2 3.49Å; G43-A199 VanDerWaalsContact O-CB 3.27Å; G43-A199 WeakPolarHBondContact O-CB 3.31Å; G43-A230 VanDerWaalsContact C-CB 3.49Å
44P98.9Very high98.4Very high0 Ų023.8 Ų23.80%012%0.118CC..  trans-63.8167.7-179.5-2537.4000114.9L12 E47 R100 A230 N231 Q232L12-P44 HydrophobicContact CB-CG 4.26Å; L12-P44 HydrophobicContact CG-CG 4.25Å; P44-E47 HydrophobicContact CB-CB 4.3Å; P44-E47 WeakPolarHBondContact CD-OE2 3.34Å; P44-E47 WeakPolarHBondContact O-CB 3.27Å; P44-E47 PolarHBondContact O-N 2.96Å; P44-R100 PolarHBondContact O-NH1 3.01Å; P44-A230 HydrophobicContact CG-CB 4.45Å; P44-N231 WeakPolarHBondContact CG-O 3.29Å; P44-Q232 HydrophobicContact CB-CB 4.41Å
45E98.9Very high98.5Very high0 Ų023.8 Ų23.80%012%0.121CC..THydrogen-bonded Turntrans-62.3133.1175.9-174.3170.1-15600111.5E47 Y51 N98 K114 I174 C175 S200 G201E45-E47 PolarHBondContact O-N 2.93Å; E45-Y51 HydrophobicContact CB-CD2 4.3Å; E45-Y51 HydrophobicContact CG-CD2 3.94Å; E45-Y51 HydrophobicContact CG-CE2 4.11Å; E45-Y51 WeakPolarHBondContact OE2-CE2 3.42Å; E45-N98 PolarHBondContact OE1-ND2 3.38Å; E45-K114 WeakPolarHBondContact OE1-CD 3.42Å; E45-K114 WeakPolarHBondContact OE1-CE 3.3Å; E45-K114 IonicContact OE1-NZ 3.6Å; E45-K114 PolarHBondContact OE1-NZ 2.9Å; E45-K114 IonicContact OE2-NZ 3.51Å; E45-I174 HydrophobicContact CG-CG2 4.14Å; E45-I174 WeakPolarHBondContact OE1-CG2 3.16Å; E45-C175 WeakPolarHBondContact OE2-CB 3.43Å; E45-S200 PolarHBondContact N-O 3.28Å; E45-S200 VanDerWaalsContact N-O 3.16Å; E45-G201 PolarHBondContact OE2-N 3.49Å
46L98.9Very high98.5Very high0 Ų021.5 Ų21.50%011%0.106CC..THydrogen-bonded Turntrans51.926.9179.1-63169.8000114.5I48 C49 G50 Y51 Y57 G87 M88 N98 F129L46-I48 PolarHBondContact O-N 2.92Å; L46-C49 PolarHBondContact O-N 2.88Å; L46-C49 PolarHBondContact O-SG 2.92Å; L46-C49 VanDerWaalsContact O-SG 3.33Å; L46-G50 CarbonylContact O-C 3.55Å; L46-G50 WeakPolarHBondContact O-CA 3.35Å; L46-G50 PolarHBondContact O-N 3.07Å; L46-Y51 HydrophobicContact CD1-CD2 4.06Å; L46-Y51 HydrophobicContact CD1-CE2 4.35Å; L46-Y57 HydrophobicContact CD1-CE1 4.48Å; L46-Y57 HydrophobicContact CD1-CE2 4.42Å; L46-Y57 WeakPolarHBondContact CD1-OH 3.24Å; L46-G87 CarbonylContact C-O 3.5Å; L46-G87 VanDerWaalsContact C-O 3.29Å; L46-M88 VanDerWaalsContact CD2-C 3.45Å; L46-N98 HydrophobicContact CD2-CB 4.34Å; L46-N98 WeakPolarHBondContact CD2-OD1 3.25Å; L46-F129 HydrophobicContact CD1-CE2 4.09Å; L46-F129 HydrophobicContact CD1-CZ 4.12Å; L46-F129 HydrophobicContact CD2-CZ 4.49Å
47E98.9Very high98.6Very high0 Ų015.4 Ų15.40%08%0.083CC..THydrogen-bonded Turntrans-58.4-26.4-171.365176.7160.800114.4L12 Q14 I26 R41 G43 P44 E45 C49 V86 G87L12-E47 VanDerWaalsContact CD1-OE2 3.25Å; L12-E47 WeakPolarHBondContact CD1-OE2 3.32Å; Q14-E47 HydrophobicContact CG-CB 4.18Å; Q14-E47 WeakPolarHBondContact CG-O 3.27Å; Q14-E47 PolarHBondContact NE2-O 3.33Å; I26-E47 HydrophobicContact CD1-CB 4.47Å; I26-E47 HydrophobicContact CD1-CG 3.85Å; I26-E47 HydrophobicContact CG1-CG 4.17Å; R41-E47 IonicContact CZ-OE1 2.76Å; R41-E47 IonicContact CZ-OE2 3.59Å; R41-E47 IonicContact NH1-OE1 3.82Å; R41-E47 PolarHBondContact NH1-OE1 3.41Å; R41-E47 IonicContact NH1-OE2 3.34Å; R41-E47 PolarHBondContact NH1-OE2 3.27Å; R41-E47 IonicContact NH2-OE1 2.95Å; R41-E47 IonicContact NH2-OE2 2.76Å; R41-E47 PolarHBondContact NH2-OE2 3.19Å; G43-E47 WeakPolarHBondContact CA-OE2 3.24Å; P44-E47 HydrophobicContact CB-CB 4.3Å; P44-E47 WeakPolarHBondContact CD-OE2 3.34Å; P44-E47 WeakPolarHBondContact O-CB 3.27Å; P44-E47 PolarHBondContact O-N 2.96Å; E45-E47 PolarHBondContact O-N 2.93Å; E47-C49 PolarHBondContact O-N 3.33Å; E47-V86 WeakPolarHBondContact OE1-CA 3.35Å; E47-V86 VanDerWaalsContact OE1-CB 3.31Å; E47-V86 WeakPolarHBondContact OE1-CB 3.43Å; E47-V86 VanDerWaalsContact OE1-CG1 3.32Å; E47-V86 WeakPolarHBondContact OE1-CG1 3.39Å; E47-G87 PolarHBondContact N-O 3.02Å
48I98.9Very high98.7Very high0 Ų018.1 Ų18.10%08%0.08CC..THydrogen-bonded Turntrans-63.9-43.9-179.2-74.4-178.4000111.6F19 N22 I26 L46 V69 L70 L73 V86 G87 M88F19-I48 HydrophobicContact CD1-CG2 4.48Å; N22-I48 WeakPolarHBondContact CB-O 3.4Å; N22-I48 PolarHBondContact ND2-O 3.24Å; I26-I48 HydrophobicContact CD1-CG1 3.88Å; L46-I48 PolarHBondContact O-N 2.92Å; I48-V69 HydrophobicContact CB-CG1 4.4Å; I48-V69 HydrophobicContact CD1-CG1 4.36Å; I48-V69 HydrophobicContact CG1-CG1 4.11Å; I48-V69 HydrophobicContact CG2-CB 3.75Å; I48-V69 HydrophobicContact CG2-CG1 3.71Å; I48-V69 HydrophobicContact CG2-CG2 4.34Å; I48-L70 HydrophobicContact CD1-CB 4.37Å; I48-L73 HydrophobicContact CD1-CD1 4.2Å; I48-V86 HydrophobicContact CD1-CB 4.34Å; I48-V86 HydrophobicContact CD1-CG2 3.85Å; I48-G87 WeakPolarHBondContact CB-O 3.03Å; I48-G87 PolarHBondContact N-O 2.73Å; I48-M88 HydrophobicContact CB-CB 4.13Å; I48-M88 HydrophobicContact CD1-CB 4.08Å; I48-M88 HydrophobicContact CD1-CG 4.3Å; I48-M88 HydrophobicContact CD1-SD 3.98Å; I48-M88 HydrophobicContact CG2-CB 4.48Å
49C98.9Very high98.8Very high0 Ų022.3 Ų22.30%010%0.099CC..THydrogen-bonded Turntrans-97.2-14.718058.70000112.9A16 L17 F19 N22 L46 E47 C53 T62A16-C49 WeakPolarHBondContact CA-O 3.4Å; L17-C49 PolarHBondContact N-O 3.36Å; F19-C49 HydrophobicContact CE1-CB 3.79Å; F19-C49 HydrophobicContact CZ-CB 4.27Å; N22-C49 PolarHBondContact ND2-O 3.07Å; L46-C49 PolarHBondContact O-N 2.88Å; L46-C49 PolarHBondContact O-SG 2.92Å; L46-C49 VanDerWaalsContact O-SG 3.33Å; E47-C49 PolarHBondContact O-N 3.33Å; C49-C53 PolarHBondContact O-SG 3.17Å; C49-T62 HydrophobicContact CB-CG2 4.22Å
50G98.7Very high98.8Very high0 Ų023.6 Ų23.60%012%0.117CC..  trans82.5143.7-162.200000111L46 C53 Y57L46-G50 CarbonylContact O-C 3.55Å; L46-G50 WeakPolarHBondContact O-CA 3.35Å; L46-G50 PolarHBondContact O-N 3.07Å; G50-C53 PolarHBondContact O-SG 3.28Å; G50-Y57 PolarHBondContact O-OH 3.26Å
51Y98.9Very high98.8Very high17 Ų1727.6 Ų27.67%0.06714%0.139CC..THydrogen-bonded Turntrans-65.9-40.8-176.5-177.4-87.6000113.1E45 L46 C53 Y57 Y123 E125 Y242E45-Y51 HydrophobicContact CB-CD2 4.3Å; E45-Y51 HydrophobicContact CG-CD2 3.94Å; E45-Y51 HydrophobicContact CG-CE2 4.11Å; E45-Y51 WeakPolarHBondContact OE2-CE2 3.42Å; L46-Y51 HydrophobicContact CD1-CD2 4.06Å; L46-Y51 HydrophobicContact CD1-CE2 4.35Å; Y51-C53 VanDerWaalsContact C-N 3.27Å; Y51-C53 PolarHBondContact O-N 3.2Å; Y51-Y57 PolarHBondContact O-OH 2.83Å; Y51-Y123 HydrophobicContact CE1-CD1 4.06Å; Y51-Y123 HydrophobicContact CE1-CE1 4.02Å; Y51-Y123 AromaticContact CZ-CD1 3.99Å; Y51-Y123 VanDerWaalsContact OH-CD1 3.26Å; Y51-Y123 WeakPolarHBondContact OH-CD1 3.44Å; Y51-E125 WeakPolarHBondContact CE2-OE1 3.4Å; Y51-E125 WeakPolarHBondContact OH-CG 3.42Å; Y51-E125 PolarHBondContact OH-OE1 3.31Å; Y51-Y242 AromaticContact CD1-CE1 3.88Å; Y51-Y242 HydrophobicContact CD1-CE1 3.88Å; Y51-Y242 AromaticContact CD1-CZ 3.97Å; Y51-Y242 VanDerWaalsContact CD1-OH 3.31Å; Y51-Y242 WeakPolarHBondContact CD1-OH 3.42Å; Y51-Y242 HydrophobicContact CG-CE1 4.31Å
52G98.3Very high98.8Very high5 Ų527.7 Ų27.75%0.05214%0.139CC..THydrogen-bonded Turntrans-82.241.8-174.200000115.2A16 W54 D236A16-G52 WeakPolarHBondContact CB-O 3.49Å; G52-W54 VanDerWaalsContact C-N 3.3Å; G52-W54 PolarHBondContact O-N 3.1Å; G52-W54 PolarHBondContact O-NE1 3.39Å; G52-W54 VanDerWaalsContact O-NE1 3.17Å; G52-D236 VanDerWaalsContact CA-OD2 3.27Å; G52-D236 WeakPolarHBondContact CA-OD2 3.36Å; G52-D236 PolarHBondContact N-OD2 3.41Å
53C98.8Very high98.8Very high1 Ų128.7 Ų28.71%0.00714%0.144CC..  trans-75.7-16.8176.7-66.10000113.6L17 C49 G50 Y51 D55 H56 Y57L17-C53 HydrophobicContact CD2-CB 4.43Å; C49-C53 PolarHBondContact O-SG 3.17Å; G50-C53 PolarHBondContact O-SG 3.28Å; Y51-C53 VanDerWaalsContact C-N 3.27Å; Y51-C53 PolarHBondContact O-N 3.2Å; C53-D55 PolarHBondContact O-N 3.22Å; C53-H56 HydrophobicContact CB-CB 4.25Å; C53-H56 VanDerWaalsContact O-CB 3.27Å; C53-H56 WeakPolarHBondContact O-CB 3.28Å; C53-H56 PolarHBondContact O-CD2 3.09Å; C53-H56 PolarHBondContact O-N 3.32Å; C53-H56 VanDerWaalsContact O-N 3.1Å; C53-Y57 HydrophobicContact CB-CD1 4.14Å; C53-Y57 HydrophobicContact CB-CD2 4.16Å; C53-Y57 HydrophobicContact CB-CE1 3.75Å; C53-Y57 HydrophobicContact CB-CE2 3.8Å; C53-Y57 HydrophobicContact CB-CG 4.31Å
54W98.6Very high98.8Very high45 Ų4532.5 Ų32.517%0.1716%0.164CC..G310 helixtrans51.3-131.1-179.4-52.995.2000112.6G52 H56 Y57 R124 W128 D238 R668G52-W54 VanDerWaalsContact C-N 3.3Å; G52-W54 PolarHBondContact O-N 3.1Å; G52-W54 PolarHBondContact O-NE1 3.39Å; G52-W54 VanDerWaalsContact O-NE1 3.17Å; W54-H56 PolarHBondContact O-N 3.5Å; W54-H56 VanDerWaalsContact O-N 3.13Å; W54-Y57 WeakPolarHBondContact O-CB 3.43Å; W54-Y57 WeakPolarHBondContact O-CD2 3.26Å; W54-Y57 PolarHBondContact O-N 3.11Å; W54-R124 HydrophobicContact CZ3-CG 4.47Å; W54-W128 VanDerWaalsContact C-CE2 3.48Å; W54-W128 VanDerWaalsContact CA-CZ2 3.45Å; W54-W128 HydrophobicContact CB-CZ2 4.09Å; W54-W128 HydrophobicContact CD2-CH2 4.32Å; W54-W128 AromaticContact CE3-CH2 3.55Å; W54-W128 HydrophobicContact CE3-CH2 3.55Å; W54-W128 AromaticContact CE3-CZ2 3.81Å; W54-W128 HydrophobicContact CE3-CZ2 3.81Å; W54-W128 HydrophobicContact CZ3-CH2 4.05Å; W54-W128 PolarHBondContact O-NE1 3.33Å; W54-D238 WeakPolarHBondContact CZ2-OD2 3.41Å; W54-R668 HydrophobicContact CH2-CG 4.43Å
55D98.8Very high98.8Very high67 Ų6735.3 Ų35.336%0.35818%0.177SC..G310 helixtrans-67.1-11-177.1-74.8-2.9000113.5C53 Y57 Y58 R127 W128C53-D55 PolarHBondContact O-N 3.22Å; D55-Y57 PolarHBondContact O-N 2.98Å; D55-Y58 HydrophobicContact CB-CD2 3.91Å; D55-Y58 HydrophobicContact CB-CE2 4.24Å; D55-Y58 VanDerWaalsContact O-CB 3.29Å; D55-Y58 WeakPolarHBondContact O-CB 3.24Å; D55-Y58 WeakPolarHBondContact O-CD2 3.39Å; D55-Y58 PolarHBondContact O-N 3.12Å; D55-R127 IonicContact OD1-CZ 3.94Å; D55-R127 IonicContact OD1-NE 3.51Å; D55-R127 PolarHBondContact OD1-NE 2.79Å; D55-R127 IonicContact OD1-NH2 3.8Å; D55-R127 PolarHBondContact OD1-NH2 2.81Å; D55-R127 IonicContact OD2-CZ 3.47Å; D55-R127 IonicContact OD2-NE 3.07Å; D55-R127 IonicContact OD2-NH2 3.69Å; D55-R127 PolarHBondContact OD2-NH2 2.81Å; D55-W128 PolarHBondContact OD1-NE1 3.33Å
56H98.9Very high98.8Very high76 Ų7635.3 Ų35.335%0.35218%0.177SC..G310 helixtrans-63.5-18.2168.8-67.2-76.5000112.5L17 C53 W54 Y58 E59 T62L17-H56 HydrophobicContact CD1-CB 4.13Å; L17-H56 HydrophobicContact CD2-CB 4.08Å; C53-H56 HydrophobicContact CB-CB 4.25Å; C53-H56 VanDerWaalsContact O-CB 3.27Å; C53-H56 WeakPolarHBondContact O-CB 3.28Å; C53-H56 PolarHBondContact O-CD2 3.09Å; C53-H56 PolarHBondContact O-N 3.32Å; C53-H56 VanDerWaalsContact O-N 3.1Å; W54-H56 PolarHBondContact O-N 3.5Å; W54-H56 VanDerWaalsContact O-N 3.13Å; H56-Y58 PolarHBondContact O-N 2.89Å; H56-E59 IonicContact CE1-OE1 2.93Å; H56-E59 IonicContact CE1-OE2 3.68Å; H56-E59 IonicContact CG-OE2 2.9Å; H56-E59 IonicContact ND1-OE1 3.46Å; H56-E59 PolarHBondContact ND1-OE1 2.99Å; H56-E59 IonicContact ND1-OE2 3.96Å; H56-E59 PolarHBondContact ND1-OE2 2.79Å; H56-E59 WeakPolarHBondContact O-CB 3.32Å; H56-E59 PolarHBondContact O-N 3.46Å; H56-T62 WeakPolarHBondContact O-CB 3.43Å; H56-T62 PolarHBondContact O-OG1 2.86Å
57Y98.9Very high98.8Very high1 Ų136 Ų360%0.00418%0.181CC..G310 helixtrans-62.4-22.2168.1-71.5-50.6000113.3L46 G50 Y51 C53 W54 D55 E59 T62 P89 R96 W128 F129L46-Y57 HydrophobicContact CD1-CE1 4.48Å; L46-Y57 HydrophobicContact CD1-CE2 4.42Å; L46-Y57 WeakPolarHBondContact CD1-OH 3.24Å; G50-Y57 PolarHBondContact O-OH 3.26Å; Y51-Y57 PolarHBondContact O-OH 2.83Å; C53-Y57 HydrophobicContact CB-CD1 4.14Å; C53-Y57 HydrophobicContact CB-CD2 4.16Å; C53-Y57 HydrophobicContact CB-CE1 3.75Å; C53-Y57 HydrophobicContact CB-CE2 3.8Å; C53-Y57 HydrophobicContact CB-CG 4.31Å; W54-Y57 WeakPolarHBondContact O-CB 3.43Å; W54-Y57 WeakPolarHBondContact O-CD2 3.26Å; W54-Y57 PolarHBondContact O-N 3.11Å; D55-Y57 PolarHBondContact O-N 2.98Å; Y57-E59 VanDerWaalsContact C-N 3.27Å; Y57-T62 HydrophobicContact CD1-CG2 4.03Å; Y57-T62 HydrophobicContact CE1-CG2 4.29Å; Y57-P89 HydrophobicContact CD1-CB 4.19Å; Y57-P89 HydrophobicContact CD1-CG 4.16Å; Y57-P89 HydrophobicContact CE1-CB 4.36Å; Y57-P89 HydrophobicContact CE1-CG 4.13Å; Y57-R96 WeakPolarHBondContact O-CD 3.44Å; Y57-R96 PolarHBondContact O-NE 3.06Å; Y57-R96 PolarHBondContact O-NH2 2.99Å; Y57-W128 HydrophobicContact CD2-CB 4.25Å; Y57-W128 AromaticContact CD2-CD2 3.89Å; Y57-W128 HydrophobicContact CD2-CD2 3.89Å; Y57-W128 AromaticContact CD2-CE3 3.83Å; Y57-W128 HydrophobicContact CD2-CE3 3.83Å; Y57-W128 HydrophobicContact CD2-CG 4.06Å; Y57-W128 HydrophobicContact CD2-CZ3 4.48Å; Y57-W128 HydrophobicContact CE2-CE3 4.32Å; Y57-W128 HydrophobicContact CG-CB 4.34Å; Y57-W128 HydrophobicContact CG-CG 4.45Å; Y57-F129 HydrophobicContact CD1-CE1 4.39Å; Y57-F129 HydrophobicContact CD1-CE2 4.45Å; Y57-F129 AromaticContact CD1-CZ 3.64Å; Y57-F129 HydrophobicContact CD1-CZ 3.64Å; Y57-F129 AromaticContact CD2-CE2 3.78Å; Y57-F129 HydrophobicContact CD2-CE2 3.78Å; Y57-F129 AromaticContact CD2-CZ 3.8Å; Y57-F129 HydrophobicContact CD2-CZ 3.8Å; Y57-F129 AromaticContact CE1-CZ 3.81Å; Y57-F129 HydrophobicContact CE1-CZ 3.81Å; Y57-F129 AromaticContact CE2-CE2 3.84Å; Y57-F129 HydrophobicContact CE2-CE2 3.84Å; Y57-F129 AromaticContact CE2-CZ 3.93Å; Y57-F129 HydrophobicContact CE2-CZ 3.93Å; Y57-F129 HydrophobicContact CG-CE1 4.49Å; Y57-F129 HydrophobicContact CG-CE2 4.11Å; Y57-F129 AromaticContact CG-CZ 3.66Å; Y57-F129 HydrophobicContact CG-CZ 3.66Å; Y57-F129 AromaticContact CZ-CZ 3.96Å
58Y98.8Very high98.8Very high103 Ų10340.2 Ų40.240%0.40420%0.2SC..G310 helixtrans-70.7-26.3171.9-65.6-51.5000113D55 H56 R96 R127 W128D55-Y58 HydrophobicContact CB-CD2 3.91Å; D55-Y58 HydrophobicContact CB-CE2 4.24Å; D55-Y58 VanDerWaalsContact O-CB 3.29Å; D55-Y58 WeakPolarHBondContact O-CB 3.24Å; D55-Y58 WeakPolarHBondContact O-CD2 3.39Å; D55-Y58 PolarHBondContact O-N 3.12Å; H56-Y58 PolarHBondContact O-N 2.89Å; Y58-R96 PolarHBondContact O-NH2 3.11Å; Y58-R127 VanDerWaalsContact CE1-O 3.28Å; Y58-R127 WeakPolarHBondContact CE1-O 3.32Å; Y58-R127 HydrophobicContact CE2-CG 4.43Å; Y58-R127 VanDerWaalsContact CZ-O 3.27Å; Y58-R127 WeakPolarHBondContact OH-CG 3.11Å; Y58-R127 PolarHBondContact OH-O 2.71Å; Y58-W128 AromaticContact CE1-CD1 3.9Å; Y58-W128 AromaticContact CE2-CD1 3.69Å; Y58-W128 AromaticContact CE2-NE1 3.97Å; Y58-W128 AromaticContact CZ-CD1 3.6Å
59E98.9Very high98.8Very high91 Ų9140.6 Ų40.643%0.42520%0.202SC..SBendtrans-77.6130.6-176.2-57.2171.6-179.600110.1H56 Y57 D61 T62H56-E59 IonicContact CE1-OE1 2.93Å; H56-E59 IonicContact CE1-OE2 3.68Å; H56-E59 IonicContact CG-OE2 2.9Å; H56-E59 IonicContact ND1-OE1 3.46Å; H56-E59 PolarHBondContact ND1-OE1 2.99Å; H56-E59 IonicContact ND1-OE2 3.96Å; H56-E59 PolarHBondContact ND1-OE2 2.79Å; H56-E59 WeakPolarHBondContact O-CB 3.32Å; H56-E59 PolarHBondContact O-N 3.46Å; Y57-E59 VanDerWaalsContact C-N 3.27Å; E59-D61 PolarHBondContact O-N 2.75Å; E59-T62 PolarHBondContact O-N 2.87Å
60S98.8Very high98.8Very high87 Ų8740.6 Ų40.661%0.60820%0.202SC*.Hα-helixtrans-60.9-28.9177.947.90000112.8T62 L63 L64S60-T62 PolarHBondContact O-N 3.06Å; S60-L63 WeakPolarHBondContact O-CB 3.38Å; S60-L63 PolarHBondContact O-N 3.24Å; S60-L64 PolarHBondContact O-N 2.89Å
61D98.9Very high98.8Very high87 Ų8741.2 Ų41.247%0.46521%0.207SC..Hα-helixtrans-63.6-33.7-177.7-69.412.2000111E59 L63 L64 H65E59-D61 PolarHBondContact O-N 2.75Å; D61-L63 VanDerWaalsContact C-N 3.29Å; D61-L63 PolarHBondContact O-N 2.95Å; D61-L64 PolarHBondContact O-N 2.93Å; D61-H65 WeakPolarHBondContact O-CB 3.45Å; D61-H65 PolarHBondContact O-CD2 2.84Å; D61-H65 PolarHBondContact O-N 3.21Å
62T98.9Very high98.8Very high2 Ų242 Ų421%0.01222%0.218CC..Hα-helixtrans-60.3-40.6173.5-59.90000111.6L17 F19 C49 H56 Y57 E59 S60 S66 P89L17-T62 HydrophobicContact CD2-CG2 4.44Å; F19-T62 HydrophobicContact CZ-CG2 4.5Å; C49-T62 HydrophobicContact CB-CG2 4.22Å; H56-T62 WeakPolarHBondContact O-CB 3.43Å; H56-T62 PolarHBondContact O-OG1 2.86Å; Y57-T62 HydrophobicContact CD1-CG2 4.03Å; Y57-T62 HydrophobicContact CE1-CG2 4.29Å; E59-T62 PolarHBondContact O-N 2.87Å; S60-T62 PolarHBondContact O-N 3.06Å; T62-S66 VanDerWaalsContact O-CB 3.3Å; T62-S66 WeakPolarHBondContact O-CB 3.18Å; T62-S66 PolarHBondContact O-N 2.89Å; T62-S66 VanDerWaalsContact O-N 3.15Å; T62-S66 PolarHBondContact O-OG 2.79Å; T62-P89 HydrophobicContact CG2-CG 4.06Å
63L98.9Very high98.9Very high20 Ų2041.8 Ų41.811%0.10522%0.215CC..Hα-helixtrans-70.5-43.8176.1-77.569.2000110.9S60 D61 S66 F67 P89 M91S60-L63 WeakPolarHBondContact O-CB 3.38Å; S60-L63 PolarHBondContact O-N 3.24Å; D61-L63 VanDerWaalsContact C-N 3.29Å; D61-L63 PolarHBondContact O-N 2.95Å; L63-S66 PolarHBondContact O-N 2.94Å; L63-F67 VanDerWaalsContact O-CD2 3.29Å; L63-F67 WeakPolarHBondContact O-CD2 3.49Å; L63-F67 PolarHBondContact O-N 2.8Å; L63-P89 HydrophobicContact CD1-CB 4.36Å; L63-P89 HydrophobicContact CD1-CG 4.38Å; L63-M91 HydrophobicContact CD2-CB 3.51Å; L63-M91 HydrophobicContact CD2-CE 4.44Å
64L98.9Very high98.9Very high80 Ų8042 Ų4242%0.41922%0.216SC..Hα-helixtrans-59.6-53.9-179.8173.962.1000111.8S60 D61 S66 F67 Q68S60-L64 PolarHBondContact O-N 2.89Å; D61-L64 PolarHBondContact O-N 2.93Å; L64-S66 VanDerWaalsContact C-N 3.3Å; L64-S66 PolarHBondContact O-N 2.93Å; L64-F67 PolarHBondContact O-N 3.19Å; L64-F67 VanDerWaalsContact O-N 3.1Å; L64-Q68 PolarHBondContact O-N 2.92Å
65H98.9Very high98.9Very high60 Ų6045.4 Ų45.428%0.27823%0.234SC..Hα-helixtrans-66.9-33.1-179.4-64-47.9000111.8F19 D61 F67 Q68 V69F19-H65 HydrophobicContact CD1-CB 3.9Å; F19-H65 HydrophobicContact CD2-CB 3.56Å; F19-H65 HydrophobicContact CE1-CB 3.77Å; F19-H65 HydrophobicContact CE2-CB 3.43Å; F19-H65 VanDerWaalsContact CE2-CB 3.43Å; F19-H65 AromaticContact CE2-CD2 3.9Å; F19-H65 AromaticContact CE2-CG 3.97Å; F19-H65 HydrophobicContact CG-CB 3.81Å; F19-H65 HydrophobicContact CZ-CB 3.55Å; D61-H65 WeakPolarHBondContact O-CB 3.45Å; D61-H65 PolarHBondContact O-CD2 2.84Å; D61-H65 PolarHBondContact O-N 3.21Å; H65-F67 VanDerWaalsContact C-N 3.3Å; H65-F67 PolarHBondContact O-N 3.11Å; H65-Q68 PolarHBondContact ND1-OE1 2.85Å; H65-Q68 WeakPolarHBondContact O-CB 3.46Å; H65-Q68 PolarHBondContact O-N 3.28Å; H65-V69 WeakPolarHBondContact O-CG2 3.23Å; H65-V69 PolarHBondContact O-N 2.76Å
66S98.9Very high98.8Very high0 Ų043.6 Ų43.60%023%0.227CC..Hα-helixtrans-60.8-40170.7-60.80000112.3T62 L63 L64 V69 L70 M88T62-S66 VanDerWaalsContact O-CB 3.3Å; T62-S66 WeakPolarHBondContact O-CB 3.18Å; T62-S66 PolarHBondContact O-N 2.89Å; T62-S66 VanDerWaalsContact O-N 3.15Å; T62-S66 PolarHBondContact O-OG 2.79Å; L63-S66 PolarHBondContact O-N 2.94Å; L64-S66 VanDerWaalsContact C-N 3.3Å; L64-S66 PolarHBondContact O-N 2.93Å; S66-V69 PolarHBondContact O-N 2.82Å; S66-L70 WeakPolarHBondContact O-CB 3.38Å; S66-L70 PolarHBondContact O-N 2.88Å; S66-M88 VanDerWaalsContact CB-CE 3.46Å
67F98.9Very high98.8Very high15 Ų1544.9 Ų44.97%0.06624%0.242CC..Hα-helixtrans-69.8-32.4174.5-85.4-64.9000113.2L63 L64 H65 L70 A71 M88 V90 Y141 P144 M146 I147L63-F67 VanDerWaalsContact O-CD2 3.29Å; L63-F67 WeakPolarHBondContact O-CD2 3.49Å; L63-F67 PolarHBondContact O-N 2.8Å; L64-F67 PolarHBondContact O-N 3.19Å; L64-F67 VanDerWaalsContact O-N 3.1Å; H65-F67 VanDerWaalsContact C-N 3.3Å; H65-F67 PolarHBondContact O-N 3.11Å; F67-L70 HydrophobicContact CD1-CD2 3.99Å; F67-L70 HydrophobicContact CE1-CD2 4.12Å; F67-L70 PolarHBondContact O-N 2.72Å; F67-A71 WeakPolarHBondContact O-CB 3.15Å; F67-A71 PolarHBondContact O-N 3.07Å; F67-M88 HydrophobicContact CD1-CE 3.82Å; F67-M88 HydrophobicContact CD2-CE 3.81Å; F67-M88 HydrophobicContact CE1-CE 3.85Å; F67-M88 HydrophobicContact CE2-CE 3.84Å; F67-M88 HydrophobicContact CG-CE 3.78Å; F67-M88 HydrophobicContact CZ-CE 3.84Å; F67-V90 HydrophobicContact CZ-CG1 4.34Å; F67-V90 HydrophobicContact CZ-CG2 4.47Å; F67-Y141 HydrophobicContact CZ-CE1 4.3Å; F67-Y141 WeakPolarHBondContact CZ-OH 3.37Å; F67-P144 HydrophobicContact CD1-CG 3.88Å; F67-P144 HydrophobicContact CD2-CG 4.01Å; F67-P144 HydrophobicContact CE1-CG 3.83Å; F67-P144 HydrophobicContact CE2-CG 3.95Å; F67-P144 HydrophobicContact CG-CG 4Å; F67-P144 HydrophobicContact CZ-CG 3.88Å; F67-M146 HydrophobicContact CB-SD 3.99Å; F67-I147 HydrophobicContact CD1-CD1 4.32Å; F67-I147 HydrophobicContact CD1-CG1 3.93Å
68Q98.9Very high98.8Very high87 Ų8746.4 Ų46.441%0.40725%0.251SS..Hα-helixtrans-64.3-44.9172.4-70.8169-9.800111.7L64 H65 A71 A72 M146L64-Q68 PolarHBondContact O-N 2.92Å; H65-Q68 PolarHBondContact ND1-OE1 2.85Å; H65-Q68 WeakPolarHBondContact O-CB 3.46Å; H65-Q68 PolarHBondContact O-N 3.28Å; Q68-A71 WeakPolarHBondContact O-CB 3.35Å; Q68-A71 PolarHBondContact O-N 3.49Å; Q68-A72 PolarHBondContact O-N 3.15Å; Q68-M146 HydrophobicContact CB-CE 4.23Å; Q68-M146 HydrophobicContact CG-CE 3.64Å; Q68-M146 HydrophobicContact CG-SD 4.47Å
69V98.9Very high98.8Very high8 Ų841.7 Ų41.75%0.04823%0.233CC..Hα-helixtrans-62.3-44.2173.5170.30000110.9F19 L23 I48 H65 S66 A71 A72 L73F19-V69 HydrophobicContact CB-CG2 3.82Å; F19-V69 HydrophobicContact CD1-CG2 4.05Å; F19-V69 HydrophobicContact CG-CG2 4.36Å; L23-V69 HydrophobicContact CB-CG1 3.97Å; L23-V69 HydrophobicContact CB-CG2 4.39Å; L23-V69 HydrophobicContact CD1-CG1 4Å; L23-V69 HydrophobicContact CG-CG1 4.48Å; I48-V69 HydrophobicContact CB-CG1 4.4Å; I48-V69 HydrophobicContact CD1-CG1 4.36Å; I48-V69 HydrophobicContact CG1-CG1 4.11Å; I48-V69 HydrophobicContact CG2-CB 3.75Å; I48-V69 HydrophobicContact CG2-CG1 3.71Å; I48-V69 HydrophobicContact CG2-CG2 4.34Å; H65-V69 WeakPolarHBondContact O-CG2 3.23Å; H65-V69 PolarHBondContact O-N 2.76Å; S66-V69 PolarHBondContact O-N 2.82Å; V69-A71 VanDerWaalsContact C-N 3.3Å; V69-A71 PolarHBondContact O-N 3.04Å; V69-A72 WeakPolarHBondContact O-CB 3.48Å; V69-A72 PolarHBondContact O-N 3.39Å; V69-A72 VanDerWaalsContact O-N 3.16Å; V69-L73 HydrophobicContact CG1-CD1 4.26Å; V69-L73 HydrophobicContact CG1-CG 4.48Å; V69-L73 WeakPolarHBondContact O-CG 3.36Å; V69-L73 PolarHBondContact O-N 2.79Å
70L98.9Very high98.8Very high0 Ų042.4 Ų42.40%024%0.236CC..Hα-helixtrans-58.6-41.3175.2179.664.5000112I48 S66 F67 L73 L74 V86 M88 V101 F103 I108 I147I48-L70 HydrophobicContact CD1-CB 4.37Å; S66-L70 WeakPolarHBondContact O-CB 3.38Å; S66-L70 PolarHBondContact O-N 2.88Å; F67-L70 HydrophobicContact CD1-CD2 3.99Å; F67-L70 HydrophobicContact CE1-CD2 4.12Å; F67-L70 PolarHBondContact O-N 2.72Å; L70-L73 PolarHBondContact O-N 2.8Å; L70-L74 HydrophobicContact CD1-CD1 4.29Å; L70-L74 HydrophobicContact CD1-CG 4.4Å; L70-L74 HydrophobicContact CG-CD1 3.93Å; L70-L74 HydrophobicContact CG-CG 4.5Å; L70-L74 WeakPolarHBondContact O-CB 3.3Å; L70-L74 WeakPolarHBondContact O-CD1 3.33Å; L70-L74 VanDerWaalsContact O-CG 3.31Å; L70-L74 WeakPolarHBondContact O-CG 3.32Å; L70-L74 PolarHBondContact O-N 3.4Å; L70-V86 HydrophobicContact CD1-CG2 4.24Å; L70-M88 HydrophobicContact CB-SD 4.13Å; L70-M88 HydrophobicContact CD2-SD 3.92Å; L70-V101 HydrophobicContact CD1-CG1 3.97Å; L70-V101 HydrophobicContact CD2-CG1 3.92Å; L70-F103 HydrophobicContact CD1-CD1 4.22Å; L70-F103 HydrophobicContact CD1-CE1 4.26Å; L70-I108 HydrophobicContact CD2-CD1 4.2Å; L70-I147 HydrophobicContact CD2-CD1 4.38Å; L70-I147 HydrophobicContact CG-CD1 4.45Å
71A98.9Very high98.8Very high13 Ų1341.6 Ų41.611%0.10723%0.225CC..Hα-helixtrans-61.3-44.4175.500000111.6F67 Q68 V69 L73 L74 E75 M146 I147 L150F67-A71 WeakPolarHBondContact O-CB 3.15Å; F67-A71 PolarHBondContact O-N 3.07Å; Q68-A71 WeakPolarHBondContact O-CB 3.35Å; Q68-A71 PolarHBondContact O-N 3.49Å; V69-A71 VanDerWaalsContact C-N 3.3Å; V69-A71 PolarHBondContact O-N 3.04Å; A71-L73 VanDerWaalsContact C-N 3.33Å; A71-L73 PolarHBondContact O-N 3.43Å; A71-L74 PolarHBondContact O-N 2.87Å; A71-E75 PolarHBondContact O-N 2.92Å; A71-M146 HydrophobicContact CB-CE 4.06Å; A71-I147 HydrophobicContact CB-CD1 3.9Å; A71-L150 HydrophobicContact CB-CD2 4.21Å; A71-L150 WeakPolarHBondContact O-CD2 3.2Å
72A98.9Very high98.7Very high35 Ų3537.5 Ų37.529%0.28920%0.203SC..Hα-helixtrans-61.7-39.5176.100000112.4L23 Q68 V69 E75 S76L23-A72 HydrophobicContact CD1-CB 4.07Å; L23-A72 HydrophobicContact CD2-CB 3.84Å; Q68-A72 PolarHBondContact O-N 3.15Å; V69-A72 WeakPolarHBondContact O-CB 3.48Å; V69-A72 PolarHBondContact O-N 3.39Å; V69-A72 VanDerWaalsContact O-N 3.16Å; A72-E75 PolarHBondContact O-N 2.75Å; A72-S76 WeakPolarHBondContact O-CB 3.47Å; A72-S76 PolarHBondContact O-N 3.42Å
73L98.9Very high98.7Very high0 Ų037.4 Ų37.40%020%0.203CC..Hα-helixtrans-64.1-43.3174.6-68.6173.4000112.2L23 I26 L27 I30 I48 V69 L70 A71 E75 S76 T79 V86 F103L23-L73 HydrophobicContact CD1-CD2 3.57Å; L23-L73 HydrophobicContact CD1-CG 3.79Å; I26-L73 HydrophobicContact CB-CD2 4.28Å; I26-L73 HydrophobicContact CG2-CD1 4.03Å; I26-L73 HydrophobicContact CG2-CD2 3.64Å; L27-L73 HydrophobicContact CD2-CD2 3.73Å; L27-L73 HydrophobicContact CG-CD2 3.91Å; I30-L73 HydrophobicContact CD1-CD2 4.42Å; I48-L73 HydrophobicContact CD1-CD1 4.2Å; V69-L73 HydrophobicContact CG1-CD1 4.26Å; V69-L73 HydrophobicContact CG1-CG 4.48Å; V69-L73 WeakPolarHBondContact O-CG 3.36Å; V69-L73 PolarHBondContact O-N 2.79Å; L70-L73 PolarHBondContact O-N 2.8Å; A71-L73 VanDerWaalsContact C-N 3.33Å; A71-L73 PolarHBondContact O-N 3.43Å; L73-E75 VanDerWaalsContact C-N 3.31Å; L73-E75 PolarHBondContact O-N 2.93Å; L73-S76 PolarHBondContact O-N 2.96Å; L73-T79 WeakPolarHBondContact O-CG2 3.23Å; L73-T79 PolarHBondContact O-OG1 2.89Å; L73-V86 HydrophobicContact CD1-CG1 4.27Å; L73-F103 HydrophobicContact CB-CZ 3.89Å
74L98.8Very high98.7Very high4 Ų436.4 Ų36.42%0.02120%0.198CC..Hα-helixtrans-66.7-30.1178.7-75.8163.8000112.9L70 A71 F103 R106 I108 I147 L150 T151L70-L74 HydrophobicContact CD1-CD1 4.29Å; L70-L74 HydrophobicContact CD1-CG 4.4Å; L70-L74 HydrophobicContact CG-CD1 3.93Å; L70-L74 HydrophobicContact CG-CG 4.5Å; L70-L74 WeakPolarHBondContact O-CB 3.3Å; L70-L74 WeakPolarHBondContact O-CD1 3.33Å; L70-L74 VanDerWaalsContact O-CG 3.31Å; L70-L74 WeakPolarHBondContact O-CG 3.32Å; L70-L74 PolarHBondContact O-N 3.4Å; A71-L74 PolarHBondContact O-N 2.87Å; L74-F103 HydrophobicContact CD2-CB 3.77Å; L74-F103 HydrophobicContact CD2-CD2 3.6Å; L74-F103 HydrophobicContact CD2-CE2 4.31Å; L74-F103 HydrophobicContact CD2-CG 3.75Å; L74-F103 HydrophobicContact CG-CD2 4.38Å; L74-R106 WeakPolarHBondContact O-CG 3.43Å; L74-I108 HydrophobicContact CD1-CD1 4.4Å; L74-I108 HydrophobicContact CD1-CG1 4.36Å; L74-I108 HydrophobicContact CD2-CG1 4.45Å; L74-I147 HydrophobicContact CD1-CD1 4.18Å; L74-I147 HydrophobicContact CD1-CG2 4.36Å; L74-L150 HydrophobicContact CB-CD2 3.4Å; L74-L150 VanDerWaalsContact CB-CD2 3.4Å; L74-L150 HydrophobicContact CD1-CD2 3.98Å; L74-L150 HydrophobicContact CG-CD2 4.35Å; L74-T151 HydrophobicContact CD1-CG2 3.85Å; L74-T151 HydrophobicContact CD2-CG2 4.4Å
75E98.3Very high98.8Very high118 Ų11832.6 Ų32.655%0.55118%0.178SC*.Hα-helixtrans-81.2-25.4175.2-78.3-172.714900114A71 A72 L73 P77 R106 L150A71-E75 PolarHBondContact O-N 2.92Å; A72-E75 PolarHBondContact O-N 2.75Å; L73-E75 VanDerWaalsContact C-N 3.31Å; L73-E75 PolarHBondContact O-N 2.93Å; E75-P77 WeakPolarHBondContact O-CD 3.18Å; E75-R106 IonicContact OE1-NH2 3.95Å; E75-L150 HydrophobicContact CG-CD1 3.15Å; E75-L150 HydrophobicContact CG-CD2 3.93Å; E75-L150 HydrophobicContact CG-CG 4.07Å; E75-L150 WeakPolarHBondContact OE1-CD1 3.32Å
76S98.6Very high98.8Very high28 Ų2829.8 Ų29.820%0.19616%0.164CC..  trans-67.4126.8-171.6-175.40000111.8L27 A72 L73 V78 T79L27-S76 WeakPolarHBondContact CD2-OG 3.43Å; A72-S76 WeakPolarHBondContact O-CB 3.47Å; A72-S76 PolarHBondContact O-N 3.42Å; L73-S76 PolarHBondContact O-N 2.96Å; S76-V78 PolarHBondContact O-N 2.79Å; S76-V78 WeakPolarHBondContact OG-CG1 3.31Å; S76-T79 PolarHBondContact O-N 2.73Å; S76-T79 PolarHBondContact O-OG1 3.19Å
77P98.4Very high98.8Very high103 Ų10329.8 Ų29.867%0.66916%0.164SC*.G310 helixtrans-59.2-23.5177.9-24.734.1000113.7E75 T79 Q80E75-P77 WeakPolarHBondContact O-CD 3.18Å; P77-T79 PolarHBondContact O-N 2.99Å; P77-Q80 WeakPolarHBondContact O-CB 3.34Å; P77-Q80 PolarHBondContact O-N 2.87Å
78V98.5Very high98.8Very high34 Ų3429 Ų2921%0.20616%0.161CC..G310 helixtrans-64.3-25.4178.682.40000111.8L27 I30 E31 K34 S76 Q80L27-V78 HydrophobicContact CD2-CG1 3.59Å; I30-V78 HydrophobicContact CB-CG1 4.46Å; I30-V78 HydrophobicContact CG2-CG1 4.16Å; I30-V78 HydrophobicContact CG2-CG2 4.39Å; E31-V78 HydrophobicContact CB-CG2 3.71Å; E31-V78 HydrophobicContact CG-CG2 4.04Å; K34-V78 WeakPolarHBondContact CD-O 3.37Å; K34-V78 PolarHBondContact NZ-O 2.87Å; S76-V78 PolarHBondContact O-N 2.79Å; S76-V78 WeakPolarHBondContact OG-CG1 3.31Å; V78-Q80 VanDerWaalsContact C-N 3.3Å; V78-Q80 PolarHBondContact O-N 2.94Å
79T98.6Very high98.8Very high3 Ų324.9 Ų24.92%0.01814%0.142CC..G310 helixtrans-86.71-177.768.80000113.8I30 L73 S76 P77 F103I30-T79 HydrophobicContact CD1-CG2 3.9Å; I30-T79 HydrophobicContact CG2-CG2 4.31Å; L73-T79 WeakPolarHBondContact O-CG2 3.23Å; L73-T79 PolarHBondContact O-OG1 2.89Å; S76-T79 PolarHBondContact O-N 2.73Å; S76-T79 PolarHBondContact O-OG1 3.19Å; P77-T79 PolarHBondContact O-N 2.99Å; T79-F103 HydrophobicContact CG2-CE2 4.04Å; T79-F103 HydrophobicContact CG2-CZ 4.28Å
80Q98.5Very high98.8Very high107 Ų10724.5 Ų24.550%0.514%0.14SC..THydrogen-bonded Turntrans-65.4141.6176.1-168.5178-9.200111.4K34 P77 V78 I82 N105K34-Q80 PolarHBondContact NZ-O 2.79Å; P77-Q80 WeakPolarHBondContact O-CB 3.34Å; P77-Q80 PolarHBondContact O-N 2.87Å; V78-Q80 VanDerWaalsContact C-N 3.3Å; V78-Q80 PolarHBondContact O-N 2.94Å; Q80-I82 PolarHBondContact O-N 2.75Å; Q80-I82 VanDerWaalsContact O-N 3.12Å; Q80-N105 WeakPolarHBondContact CA-OD1 3.29Å
81D98.3Very high98.7Very high70 Ų7027.5 Ų27.537%0.37415%0.154SC..THydrogen-bonded Turntrans55.529173.6-59.6-44.4000115.7R39 N105 F305R39-D81 PolarHBondContact NH1-O 2.98Å; D81-N105 PolarHBondContact N-OD1 3.4Å; D81-N105 PolarHBondContact OD1-ND2 3.23Å; D81-N105 VanDerWaalsContact OD1-ND2 3.15Å; D81-F305 WeakPolarHBondContact O-CZ 3.11Å
82I98.7Very high98.7Very high0 Ų027.3 Ų27.30%015%0.151CC..SBendtrans-141.2131.9170.3-176.4168.9000109.1I30 A33 K34 A38 R41 Q80 C84 L104I30-I82 HydrophobicContact CG2-CG2 4.02Å; A33-I82 HydrophobicContact CB-CD1 4.1Å; K34-I82 HydrophobicContact CD-CB 4.34Å; K34-I82 HydrophobicContact CD-CG2 3.76Å; K34-I82 HydrophobicContact CG-CB 4.12Å; K34-I82 HydrophobicContact CG-CD1 3.79Å; K34-I82 HydrophobicContact CG-CG2 3.94Å; A38-I82 WeakPolarHBondContact O-CD1 3.24Å; R41-I82 HydrophobicContact CB-CD1 3.83Å; R41-I82 HydrophobicContact CB-CG1 4.44Å; Q80-I82 PolarHBondContact O-N 2.75Å; Q80-I82 VanDerWaalsContact O-N 3.12Å; I82-C84 PolarHBondContact O-N 2.61Å; I82-L104 WeakPolarHBondContact O-CD1 3.25Å
83I98.9Very high98.7Very high0 Ų033.4 Ų33.40%017%0.167CC..EExtended strand (participates in β ladder)trans-72.7124.9171.4-65.1171.5000108R39 Y40 R41 I102 L104 T165 F305 L307R39-I83 PolarHBondContact O-N 2.62Å; Y40-I83 CarbonylContact C-O 3.55Å; Y40-I83 WeakPolarHBondContact CA-O 3.36Å; Y40-I83 HydrophobicContact CD2-CB 3.66Å; Y40-I83 HydrophobicContact CD2-CD1 4.34Å; Y40-I83 HydrophobicContact CD2-CG2 3.52Å; Y40-I83 HydrophobicContact CE2-CB 4.14Å; Y40-I83 HydrophobicContact CE2-CG2 3.43Å; Y40-I83 VanDerWaalsContact CE2-CG2 3.43Å; Y40-I83 HydrophobicContact CG-CB 4.42Å; R41-I83 PolarHBondContact N-O 3.04Å; I83-I102 HydrophobicContact CG2-CG2 3.49Å; I83-I102 VanDerWaalsContact CG2-CG2 3.49Å; I83-L104 HydrophobicContact CG1-CB 4.23Å; I83-L104 HydrophobicContact CG1-CD1 4.11Å; I83-L104 HydrophobicContact CG1-CD2 4.13Å; I83-L104 HydrophobicContact CG1-CG 4.38Å; I83-T165 HydrophobicContact CD1-CG2 4.31Å; I83-F305 HydrophobicContact CD1-CD1 3.79Å; I83-F305 HydrophobicContact CD1-CE1 4.22Å; I83-F305 HydrophobicContact CG1-CD1 3.97Å; I83-F305 HydrophobicContact CG1-CE1 4.05Å; I83-L307 HydrophobicContact CD1-CD1 3.85Å
84C98.9Very high98.7Very high0 Ų040 Ų400%020%0.202CC..EExtended strand (participates in β ladder)trans-110.7123.6179.4-63.90000109.9I82 I102 F103I82-C84 PolarHBondContact O-N 2.61Å; C84-I102 WeakPolarHBondContact O-CA 3.35Å; C84-F103 HydrophobicContact CB-CD1 3.99Å; C84-F103 HydrophobicContact CB-CD2 4.14Å; C84-F103 HydrophobicContact CB-CE1 3.48Å; C84-F103 VanDerWaalsContact CB-CE1 3.48Å; C84-F103 HydrophobicContact CB-CE2 3.67Å; C84-F103 HydrophobicContact CB-CG 4.29Å; C84-F103 HydrophobicContact CB-CZ 3.3Å; C84-F103 PolarHBondContact N-O 3.04Å; C84-F103 PolarHBondContact O-N 2.95Å
85D98.9Very high98.7Very high0 Ų042.1 Ų42.10%022%0.215CC..EExtended strand (participates in β ladder)trans-111.5107.1176.2176.8-9.1000108.8Y40 R41 L42 G43 R100 I102 T197Y40-D85 HydrophobicContact CE1-CB 3.97Å; Y40-D85 WeakPolarHBondContact OH-CB 3.19Å; Y40-D85 PolarHBondContact OH-OD2 2.92Å; R41-D85 PolarHBondContact O-N 2.83Å; L42-D85 HydrophobicContact CD1-CB 4.24Å; L42-D85 WeakPolarHBondContact CD1-OD2 3.43Å; G43-D85 PolarHBondContact N-O 3.28Å; G43-D85 VanDerWaalsContact N-O 3.12Å; D85-R100 VanDerWaalsContact C-NH2 3.27Å; D85-R100 PolarHBondContact O-NH2 3.34Å; D85-R100 IonicContact OD1-CZ 2.92Å; D85-R100 IonicContact OD1-NE 2.99Å; D85-R100 PolarHBondContact OD1-NE 2.99Å; D85-R100 IonicContact OD1-NH2 3.49Å; D85-R100 PolarHBondContact OD1-NH2 3.29Å; D85-I102 HydrophobicContact CB-CG1 4.2Å; D85-T197 PolarHBondContact OD2-OG1 2.86Å; D85-T197 VanDerWaalsContact OD2-OG1 3.14Å
86V98.9Very high98.7Very high0 Ų038.3 Ų38.30%020%0.195CC..EExtended strand (participates in β ladder)trans-120156.1-175.8-55.30000112.7I26 E47 I48 L70 L73 R100 V101 F103I26-V86 HydrophobicContact CG2-CG1 4.28Å; E47-V86 WeakPolarHBondContact OE1-CA 3.35Å; E47-V86 VanDerWaalsContact OE1-CB 3.31Å; E47-V86 WeakPolarHBondContact OE1-CB 3.43Å; E47-V86 VanDerWaalsContact OE1-CG1 3.32Å; E47-V86 WeakPolarHBondContact OE1-CG1 3.39Å; I48-V86 HydrophobicContact CD1-CB 4.34Å; I48-V86 HydrophobicContact CD1-CG2 3.85Å; L70-V86 HydrophobicContact CD1-CG2 4.24Å; L73-V86 HydrophobicContact CD1-CG1 4.27Å; V86-R100 VanDerWaalsContact C-CZ 3.47Å; V86-R100 CarbonylContact O-C 3.54Å; V86-R100 WeakPolarHBondContact O-CA 3.36Å; V86-V101 HydrophobicContact CG2-CB 4.18Å; V86-V101 WeakPolarHBondContact CG2-O 3.35Å; V86-V101 PolarHBondContact N-O 3.47Å; V86-V101 VanDerWaalsContact N-O 3.09Å; V86-V101 PolarHBondContact O-N 3.25Å; V86-F103 HydrophobicContact CG1-CE1 3.95Å; V86-F103 HydrophobicContact CG2-CD1 4.38Å; V86-F103 HydrophobicContact CG2-CE1 3.92Å
87G98.9Very high98.7Very high0 Ų038 Ų380%019%0.19CC..EExtended strand (participates in β ladder)trans-109.4132.7-17700000113.7L46 E47 I48 C99L46-G87 CarbonylContact C-O 3.5Å; L46-G87 VanDerWaalsContact C-O 3.29Å; E47-G87 PolarHBondContact N-O 3.02Å; I48-G87 WeakPolarHBondContact CB-O 3.03Å; I48-G87 PolarHBondContact N-O 2.73Å; G87-C99 WeakPolarHBondContact CA-O 3.28Å
88M98.9Very high98.8Very high0 Ų033.1 Ų33.10%016%0.158CC..EExtended strand (participates in β ladder)trans-156.5158.8172.259.1179.7-76.500112.8L46 I48 S66 F67 L70 V90 C99 V101L46-M88 VanDerWaalsContact CD2-C 3.45Å; I48-M88 HydrophobicContact CB-CB 4.13Å; I48-M88 HydrophobicContact CD1-CB 4.08Å; I48-M88 HydrophobicContact CD1-CG 4.3Å; I48-M88 HydrophobicContact CD1-SD 3.98Å; I48-M88 HydrophobicContact CG2-CB 4.48Å; S66-M88 VanDerWaalsContact CB-CE 3.46Å; F67-M88 HydrophobicContact CD1-CE 3.82Å; F67-M88 HydrophobicContact CD2-CE 3.81Å; F67-M88 HydrophobicContact CE1-CE 3.85Å; F67-M88 HydrophobicContact CE2-CE 3.84Å; F67-M88 HydrophobicContact CG-CE 3.78Å; F67-M88 HydrophobicContact CZ-CE 3.84Å; L70-M88 HydrophobicContact CB-SD 4.13Å; L70-M88 HydrophobicContact CD2-SD 3.92Å; M88-V90 HydrophobicContact CE-CG2 4.27Å; M88-V90 HydrophobicContact CG-CG2 4.05Å; M88-C99 PolarHBondContact N-O 3.18Å; M88-C99 VanDerWaalsContact N-O 3.07Å; M88-C99 PolarHBondContact O-N 3.38Å; M88-C99 VanDerWaalsContact O-N 3.12Å; M88-V101 HydrophobicContact CG-CG2 3.7Å; M88-V101 HydrophobicContact SD-CG2 4Å
89P98.9Very high98.8Very high0 Ų031.5 Ų31.50%015%0.149CC..EExtended strand (participates in β ladder)trans-70.9135.1169.130.3-34.9000110.4Y57 T62 L63 Y97 F129Y57-P89 HydrophobicContact CD1-CB 4.19Å; Y57-P89 HydrophobicContact CD1-CG 4.16Å; Y57-P89 HydrophobicContact CE1-CB 4.36Å; Y57-P89 HydrophobicContact CE1-CG 4.13Å; T62-P89 HydrophobicContact CG2-CG 4.06Å; L63-P89 HydrophobicContact CD1-CB 4.36Å; L63-P89 HydrophobicContact CD1-CG 4.38Å; P89-Y97 WeakPolarHBondContact CA-O 3.44Å; P89-F129 HydrophobicContact CB-CE1 3.8Å; P89-F129 HydrophobicContact CB-CZ 4.2Å
90V98.9Very high98.8Very high0 Ų031.4 Ų31.40%015%0.148CC..EExtended strand (participates in β ladder)trans-131.6134.9177-179.10000109.5F67 M88 Y97 C99 V101 I111 Y141 F158F67-V90 HydrophobicContact CZ-CG1 4.34Å; F67-V90 HydrophobicContact CZ-CG2 4.47Å; M88-V90 HydrophobicContact CE-CG2 4.27Å; M88-V90 HydrophobicContact CG-CG2 4.05Å; V90-Y97 PolarHBondContact N-O 2.73Å; V90-Y97 PolarHBondContact O-N 3.37Å; V90-C99 HydrophobicContact CB-CB 4.28Å; V90-C99 HydrophobicContact CG2-CB 3.88Å; V90-V101 HydrophobicContact CG2-CG2 4.37Å; V90-I111 HydrophobicContact CG2-CG2 4.29Å; V90-Y141 HydrophobicContact CG1-CD2 4.27Å; V90-Y141 HydrophobicContact CG1-CE1 4.44Å; V90-Y141 HydrophobicContact CG1-CE2 3.49Å; V90-Y141 VanDerWaalsContact CG1-CE2 3.49Å; V90-F158 HydrophobicContact CB-CE2 4.42Å; V90-F158 HydrophobicContact CG1-CE2 4.01Å
91M98.9Very high98.8Very high62 Ų6226.3 Ų26.331%0.30512%0.124SC..EExtended strand (participates in β ladder)trans-101.6113.1173.7-179.1175.8-72.400110.4L63 V95 Y141L63-M91 HydrophobicContact CD2-CB 3.51Å; L63-M91 HydrophobicContact CD2-CE 4.44Å; M91-V95 CarbonylContact C-O 3.48Å; M91-V95 VanDerWaalsContact CA-O 3.25Å; M91-V95 WeakPolarHBondContact CA-O 3.35Å; M91-Y141 WeakPolarHBondContact O-CE2 3.43Å
92H98.8Very high98.9Very high9 Ų923.1 Ų23.14%0.04211%0.107CC..EExtended strand (participates in β ladder)trans-111.4125.2175.8178.555.2000109.7N94 V95 Y97 E139 E140 Y141 F158H92-N94 PolarHBondContact O-N 3.39Å; H92-V95 PolarHBondContact N-O 3.49Å; H92-V95 PolarHBondContact O-N 3.48Å; H92-Y97 HydrophobicContact CB-CD2 4.18Å; H92-Y97 HydrophobicContact CB-CE2 3.99Å; H92-E139 IonicContact CD2-OE2 3.59Å; H92-E139 IonicContact CE1-OE2 2.64Å; H92-E139 IonicContact NE2-OE2 3.79Å; H92-E139 PolarHBondContact NE2-OE2 3.07Å; H92-E140 PolarHBondContact CE1-O 3.09Å; H92-Y141 HydrophobicContact CB-CD2 3.97Å; H92-Y141 HydrophobicContact CB-CE2 4.22Å; H92-Y141 AromaticContact ND1-CD2 3.51Å; H92-F158 HydrophobicContact CB-CD1 4.29Å; H92-F158 HydrophobicContact CB-CD2 4.33Å; H92-F158 HydrophobicContact CB-CE1 3.87Å; H92-F158 HydrophobicContact CB-CE2 3.93Å; H92-F158 HydrophobicContact CB-CZ 3.69Å; H92-F158 AromaticContact CD2-CD1 3.68Å; H92-F158 AromaticContact CD2-CE1 3.77Å
93R98.3Very high98.9Very high163 Ų16323.1 Ų23.162%0.61511%0.107SC*.THydrogen-bonded Turntrans48.844.4-178.2-62.1177.31781757.4113.2V95 E139R93-V95 PolarHBondContact O-N 3.1Å; R93-E139 VanDerWaalsContact CZ-CD 3.47Å; R93-E139 IonicContact CZ-OE1 3.89Å; R93-E139 IonicContact CZ-OE2 3.66Å; R93-E139 IonicContact NE-OE2 3.42Å; R93-E139 PolarHBondContact NE-OE2 2.73Å; R93-E139 IonicContact NH1-OE1 2.66Å; R93-E139 PolarHBondContact NH1-OE1 3.2Å; R93-E139 IonicContact NH1-OE2 2.89Å; R93-E139 PolarHBondContact NH1-OE2 2.85Å; R93-E139 IonicContact NH2-OE1 3.78Å; R93-E139 IonicContact NH2-OE2 3.96Å; R93-E139 PolarHBondContact NH2-OE2 2.95Å
94N98.6Very high98.9Very high140 Ų14023.7 Ų23.775%0.74911%0.11SC*.THydrogen-bonded Turntrans67.817180-1472.2000115H92H92-N94 PolarHBondContact O-N 3.39Å
95V98.8Very high98.8Very high47 Ų4726.8 Ų26.829%0.28513%0.127SC..EExtended strand (participates in β ladder)trans-117.5131.1174.9-176.90000109.1M91 H92 R93 Y97 T130M91-V95 CarbonylContact C-O 3.48Å; M91-V95 VanDerWaalsContact CA-O 3.25Å; M91-V95 WeakPolarHBondContact CA-O 3.35Å; H92-V95 PolarHBondContact N-O 3.49Å; H92-V95 PolarHBondContact O-N 3.48Å; R93-V95 PolarHBondContact O-N 3.1Å; V95-Y97 HydrophobicContact CB-CE2 3.65Å; V95-Y97 HydrophobicContact CG1-CD2 4.39Å; V95-Y97 HydrophobicContact CG1-CE1 4.15Å; V95-Y97 HydrophobicContact CG1-CE2 3.64Å; V95-Y97 VanDerWaalsContact CG1-CZ 3.49Å; V95-Y97 WeakPolarHBondContact CG1-OH 3.42Å; V95-Y97 WeakPolarHBondContact O-CD2 3.46Å; V95-Y97 VanDerWaalsContact O-CE2 3.28Å; V95-Y97 WeakPolarHBondContact O-CE2 3.36Å; V95-T130 VanDerWaalsContact CG1-CB 3.47Å; V95-T130 HydrophobicContact CG1-CG2 3.88Å; V95-T130 WeakPolarHBondContact CG1-OG1 3.36Å
96R98.9Very high98.8Very high38 Ų3832 Ų3214%0.14315%0.146CC..EExtended strand (participates in β ladder)trans-90.6131.3-177.5-164.4-173.3-63.198.9-2.4110.9Y57 Y58 W128 F129 T130Y57-R96 WeakPolarHBondContact O-CD 3.44Å; Y57-R96 PolarHBondContact O-NE 3.06Å; Y57-R96 PolarHBondContact O-NH2 2.99Å; Y58-R96 PolarHBondContact O-NH2 3.11Å; R96-W128 WeakPolarHBondContact CD-O 3.18Å; R96-W128 PolarHBondContact NH1-O 2.87Å; R96-F129 HydrophobicContact CB-CD1 4.43Å; R96-F129 HydrophobicContact CG-CD1 3.79Å; R96-F129 HydrophobicContact CG-CE1 3.85Å; R96-F129 CarbonylContact O-C 3.49Å; R96-F129 WeakPolarHBondContact O-CA 3.43Å; R96-T130 PolarHBondContact O-N 2.74Å
97Y98.9Very high98.8Very high21 Ų2136 Ų368%0.08216%0.164CC..EExtended strand (participates in β ladder)trans-125.1146.2179.4-60.4-87.5000110.3P89 V90 H92 V95 C99 P113 T130 W132 F158P89-Y97 WeakPolarHBondContact CA-O 3.44Å; V90-Y97 PolarHBondContact N-O 2.73Å; V90-Y97 PolarHBondContact O-N 3.37Å; H92-Y97 HydrophobicContact CB-CD2 4.18Å; H92-Y97 HydrophobicContact CB-CE2 3.99Å; V95-Y97 HydrophobicContact CB-CE2 3.65Å; V95-Y97 HydrophobicContact CG1-CD2 4.39Å; V95-Y97 HydrophobicContact CG1-CE1 4.15Å; V95-Y97 HydrophobicContact CG1-CE2 3.64Å; V95-Y97 VanDerWaalsContact CG1-CZ 3.49Å; V95-Y97 WeakPolarHBondContact CG1-OH 3.42Å; V95-Y97 WeakPolarHBondContact O-CD2 3.46Å; V95-Y97 VanDerWaalsContact O-CE2 3.28Å; V95-Y97 WeakPolarHBondContact O-CE2 3.36Å; Y97-C99 WeakPolarHBondContact CB-SG 3.1Å; Y97-P113 HydrophobicContact CD1-CB 3.83Å; Y97-P113 HydrophobicContact CG-CB 3.93Å; Y97-T130 WeakPolarHBondContact CD1-O 3.4Å; Y97-T130 WeakPolarHBondContact CE1-O 3.42Å; Y97-W132 HydrophobicContact CD1-CB 4.44Å; Y97-W132 HydrophobicContact CE1-CB 4.31Å; Y97-W132 HydrophobicContact CE1-CE3 4Å; Y97-F158 HydrophobicContact CD2-CE1 4.09Å; Y97-F158 AromaticContact CD2-CZ 3.53Å; Y97-F158 HydrophobicContact CD2-CZ 3.53Å; Y97-F158 HydrophobicContact CE2-CE1 4.16Å; Y97-F158 HydrophobicContact CE2-CZ 4.05Å; Y97-F158 HydrophobicContact CG-CE1 4.43Å; Y97-F158 AromaticContact CG-CZ 3.85Å; Y97-F158 HydrophobicContact CG-CZ 3.85Å
98N98.9Very high98.8Very high1 Ų136.2 Ų36.21%0.00517%0.165CC..EExtended strand (participates in β ladder)trans-81.6118.9163.3171.2-9.2000106.9E45 L46 P113 K114 F129E45-N98 PolarHBondContact OE1-ND2 3.38Å; L46-N98 HydrophobicContact CD2-CB 4.34Å; L46-N98 WeakPolarHBondContact CD2-OD1 3.25Å; N98-P113 CarbonylContact O-C 3.55Å; N98-P113 WeakPolarHBondContact O-CA 3.07Å; N98-K114 HydrophobicContact CB-CB 4.17Å; N98-K114 HydrophobicContact CB-CD 4.45Å; N98-K114 WeakPolarHBondContact O-CB 3.45Å; N98-K114 PolarHBondContact O-N 3.24Å; N98-F129 HydrophobicContact CB-CD1 4.14Å; N98-F129 HydrophobicContact CB-CD2 4.17Å; N98-F129 HydrophobicContact CB-CE1 4.3Å; N98-F129 HydrophobicContact CB-CE2 4.33Å; N98-F129 HydrophobicContact CB-CG 4.06Å; N98-F129 HydrophobicContact CB-CZ 4.39Å
99C98.9Very high98.8Very high0 Ų037.3 Ų37.30%017%0.171CC..EExtended strand (participates in β ladder)trans-127.1150.2-169.1-65.50000113.2G87 M88 V90 Y97 I111 R112G87-C99 WeakPolarHBondContact CA-O 3.28Å; M88-C99 PolarHBondContact N-O 3.18Å; M88-C99 VanDerWaalsContact N-O 3.07Å; M88-C99 PolarHBondContact O-N 3.38Å; M88-C99 VanDerWaalsContact O-N 3.12Å; V90-C99 HydrophobicContact CB-CB 4.28Å; V90-C99 HydrophobicContact CG2-CB 3.88Å; Y97-C99 WeakPolarHBondContact CB-SG 3.1Å; C99-I111 HydrophobicContact CB-CG2 3.86Å; C99-R112 WeakPolarHBondContact CA-O 3.47Å
100R98.9Very high98.8Very high1 Ų137.4 Ų37.40%0.00417%0.171CC..EExtended strand (participates in β ladder)trans-86.8136.7152.7-51.1-49.3-58.9172.9-5.1109.2G43 P44 D85 V86 I111 R112 I174G43-R100 PolarHBondContact O-NH2 3.49Å; P44-R100 PolarHBondContact O-NH1 3.01Å; D85-R100 VanDerWaalsContact C-NH2 3.27Å; D85-R100 PolarHBondContact O-NH2 3.34Å; D85-R100 IonicContact OD1-CZ 2.92Å; D85-R100 IonicContact OD1-NE 2.99Å; D85-R100 PolarHBondContact OD1-NE 2.99Å; D85-R100 IonicContact OD1-NH2 3.49Å; D85-R100 PolarHBondContact OD1-NH2 3.29Å; V86-R100 VanDerWaalsContact C-CZ 3.47Å; V86-R100 CarbonylContact O-C 3.54Å; V86-R100 WeakPolarHBondContact O-CA 3.36Å; R100-I111 CarbonylContact O-C 3.5Å; R100-I111 VanDerWaalsContact O-CA 3.3Å; R100-I111 WeakPolarHBondContact O-CA 3.46Å; R100-R112 HydrophobicContact CB-CB 4.28Å; R100-R112 PolarHBondContact N-O 3.36Å; R100-R112 PolarHBondContact O-N 2.74Å; R100-I174 HydrophobicContact CG-CD1 3.65Å; R100-I174 HydrophobicContact CG-CG1 3.88Å
101V98.9Very high98.8Very high1 Ų137.5 Ų37.51%0.00617%0.171CC..EExtended strand (participates in β ladder)trans-117.4111.9170.3-178.60000106.7L70 V86 M88 V90 I108 I111L70-V101 HydrophobicContact CD1-CG1 3.97Å; L70-V101 HydrophobicContact CD2-CG1 3.92Å; V86-V101 HydrophobicContact CG2-CB 4.18Å; V86-V101 WeakPolarHBondContact CG2-O 3.35Å; V86-V101 PolarHBondContact N-O 3.47Å; V86-V101 VanDerWaalsContact N-O 3.09Å; V86-V101 PolarHBondContact O-N 3.25Å; M88-V101 HydrophobicContact CG-CG2 3.7Å; M88-V101 HydrophobicContact SD-CG2 4Å; V90-V101 HydrophobicContact CG2-CG2 4.37Å; V101-I108 HydrophobicContact CG1-CG1 4.44Å; V101-I108 HydrophobicContact CG1-CG2 4.19Å; V101-I111 HydrophobicContact CG1-CG1 4.45Å; V101-I111 HydrophobicContact CG2-CG1 4.39Å; V101-I111 HydrophobicContact CG2-CG2 4.29Å
102I98.9Very high98.8Very high2 Ų234.6 Ų34.61%0.0116%0.157CC..EExtended strand (participates in β ladder)trans-104.4126.8-177.1-48172.1000108.7I83 C84 D85 L109 L110 L163I83-I102 HydrophobicContact CG2-CG2 3.49Å; I83-I102 VanDerWaalsContact CG2-CG2 3.49Å; C84-I102 WeakPolarHBondContact O-CA 3.35Å; D85-I102 HydrophobicContact CB-CG1 4.2Å; I102-L109 HydrophobicContact CG2-CD1 4.39Å; I102-L109 PolarHBondContact O-N 3.17Å; I102-L110 HydrophobicContact CD1-CD2 4.46Å; I102-L110 PolarHBondContact N-O 3.44Å; I102-L110 PolarHBondContact O-N 3.1Å; I102-L163 HydrophobicContact CB-CD1 4.46Å; I102-L163 HydrophobicContact CD1-CD1 4.06Å; I102-L163 HydrophobicContact CG2-CD1 3.76Å
103F98.9Very high98.8Very high0 Ų034.1 Ų34.10%016%0.155CC..EExtended strand (participates in β ladder)trans-138.9156.8-177.667.9-88.4000112.4L70 L73 L74 T79 C84 V86 K107 I108L70-F103 HydrophobicContact CD1-CD1 4.22Å; L70-F103 HydrophobicContact CD1-CE1 4.26Å; L73-F103 HydrophobicContact CB-CZ 3.89Å; L74-F103 HydrophobicContact CD2-CB 3.77Å; L74-F103 HydrophobicContact CD2-CD2 3.6Å; L74-F103 HydrophobicContact CD2-CE2 4.31Å; L74-F103 HydrophobicContact CD2-CG 3.75Å; L74-F103 HydrophobicContact CG-CD2 4.38Å; T79-F103 HydrophobicContact CG2-CE2 4.04Å; T79-F103 HydrophobicContact CG2-CZ 4.28Å; C84-F103 HydrophobicContact CB-CD1 3.99Å; C84-F103 HydrophobicContact CB-CD2 4.14Å; C84-F103 HydrophobicContact CB-CE1 3.48Å; C84-F103 VanDerWaalsContact CB-CE1 3.48Å; C84-F103 HydrophobicContact CB-CE2 3.67Å; C84-F103 HydrophobicContact CB-CG 4.29Å; C84-F103 HydrophobicContact CB-CZ 3.3Å; C84-F103 PolarHBondContact N-O 3.04Å; C84-F103 PolarHBondContact O-N 2.95Å; V86-F103 HydrophobicContact CG1-CE1 3.95Å; V86-F103 HydrophobicContact CG2-CD1 4.38Å; V86-F103 HydrophobicContact CG2-CE1 3.92Å; F103-K107 CarbonylContact C-O 3.55Å; F103-K107 WeakPolarHBondContact CA-O 3.45Å; F103-K107 VanDerWaalsContact CB-O 3.23Å; F103-K107 WeakPolarHBondContact CB-O 3.29Å; F103-I108 HydrophobicContact CB-CG1 4.48Å
104L98.9Very high98.8Very high12 Ų1226.4 Ų26.46%0.06313%0.126CC..EExtended strand (participates in β ladder)trans-148.2135176.6173.466.1000108.2I82 I83 R106 K107 L109 V303 F305I82-L104 WeakPolarHBondContact O-CD1 3.25Å; I83-L104 HydrophobicContact CG1-CB 4.23Å; I83-L104 HydrophobicContact CG1-CD1 4.11Å; I83-L104 HydrophobicContact CG1-CD2 4.13Å; I83-L104 HydrophobicContact CG1-CG 4.38Å; L104-R106 VanDerWaalsContact C-N 3.32Å; L104-R106 PolarHBondContact O-N 2.85Å; L104-K107 PolarHBondContact N-O 3.11Å; L104-K107 PolarHBondContact O-N 3.05Å; L104-L109 HydrophobicContact CB-CD1 3.88Å; L104-L109 HydrophobicContact CB-CD2 4.42Å; L104-L109 HydrophobicContact CB-CG 4.31Å; L104-V303 HydrophobicContact CD2-CG1 3.95Å; L104-F305 HydrophobicContact CD1-CD2 4.24Å; L104-F305 HydrophobicContact CD1-CE2 4Å; L104-F305 HydrophobicContact CD1-CZ 4.13Å; L104-F305 HydrophobicContact CD2-CB 3.6Å; L104-F305 HydrophobicContact CD2-CD1 4.12Å; L104-F305 HydrophobicContact CD2-CD2 3.66Å; L104-F305 HydrophobicContact CD2-CE2 4.27Å; L104-F305 HydrophobicContact CD2-CG 3.55Å
105N98.5Very high98.8Very high65 Ų6521.8 Ų21.835%0.34810%0.1SC..THydrogen-bonded Turntrans47.652.4171.6-69.9-21.4000113.1Q80 D81 K107Q80-N105 WeakPolarHBondContact CA-OD1 3.29Å; D81-N105 PolarHBondContact N-OD1 3.4Å; D81-N105 PolarHBondContact OD1-ND2 3.23Å; D81-N105 VanDerWaalsContact OD1-ND2 3.15Å; N105-K107 PolarHBondContact O-N 3.36Å
106R98.2Very high98.8Very high110 Ų11020.7 Ų20.742%0.41510%0.096SC..THydrogen-bonded Turntrans61.819.9178.9-163.5173.8173.2163.56.8114.4L74 E75 L104 L150 T151L74-R106 WeakPolarHBondContact O-CG 3.43Å; E75-R106 IonicContact OE1-NH2 3.95Å; L104-R106 VanDerWaalsContact C-N 3.32Å; L104-R106 PolarHBondContact O-N 2.85Å; R106-L150 HydrophobicContact CG-CG 4.26Å; R106-L150 PolarHBondContact NE-O 3.02Å; R106-T151 WeakPolarHBondContact O-CA 3.4Å; R106-T151 VanDerWaalsContact O-CB 3.24Å; R106-T151 WeakPolarHBondContact O-CB 3.42Å; R106-T151 VanDerWaalsContact O-CG2 3.24Å; R106-T151 WeakPolarHBondContact O-CG2 3.44Å
107K98.8Very high98.8Very high85 Ų8520 Ų2037%0.3710%0.096SC..EExtended strand (participates in β ladder)trans-121.9132.8173.9-66.8-72.9-171.2172.20110.6F103 L104 N105 T151 K152 Q153F103-K107 CarbonylContact C-O 3.55Å; F103-K107 WeakPolarHBondContact CA-O 3.45Å; F103-K107 VanDerWaalsContact CB-O 3.23Å; F103-K107 WeakPolarHBondContact CB-O 3.29Å; L104-K107 PolarHBondContact N-O 3.11Å; L104-K107 PolarHBondContact O-N 3.05Å; N105-K107 PolarHBondContact O-N 3.36Å; K107-T151 VanDerWaalsContact CD-O 3.32Å; K107-T151 WeakPolarHBondContact CD-O 3.28Å; K107-T151 WeakPolarHBondContact CE-O 3.41Å; K107-T151 PolarHBondContact NZ-O 2.98Å; K107-K152 PolarHBondContact NZ-O 2.96Å; K107-Q153 VanDerWaalsContact CA-OE1 3.23Å; K107-Q153 HydrophobicContact CD-CG 3.67Å
108I98.9Very high98.7Very high3 Ų319.2 Ų19.22%0.0159%0.093CC..EExtended strand (participates in β ladder)trans-78.9123.2170.7-63.1169.9000107.6L70 L74 V101 F103 I111 L143 I147 Q153 A156L70-I108 HydrophobicContact CD2-CD1 4.2Å; L74-I108 HydrophobicContact CD1-CD1 4.4Å; L74-I108 HydrophobicContact CD1-CG1 4.36Å; L74-I108 HydrophobicContact CD2-CG1 4.45Å; V101-I108 HydrophobicContact CG1-CG1 4.44Å; V101-I108 HydrophobicContact CG1-CG2 4.19Å; F103-I108 HydrophobicContact CB-CG1 4.48Å; I108-I111 HydrophobicContact CG2-CG1 4.01Å; I108-L143 HydrophobicContact CD1-CD1 4.4Å; I108-L143 HydrophobicContact CD1-CD2 3.63Å; I108-I147 HydrophobicContact CD1-CG2 3.64Å; I108-Q153 PolarHBondContact O-NE2 3.1Å; I108-A156 HydrophobicContact CB-CB 4.26Å; I108-A156 HydrophobicContact CG2-CB 3.8Å
109L98.9Very high98.6Very high24 Ų2422.9 Ų22.913%0.12611%0.112CC..EExtended strand (participates in β ladder)trans-87.6-47.8-179.5-56.5179.6000111I102 L104 P157 L163 V301 V303I102-L109 HydrophobicContact CG2-CD1 4.39Å; I102-L109 PolarHBondContact O-N 3.17Å; L104-L109 HydrophobicContact CB-CD1 3.88Å; L104-L109 HydrophobicContact CB-CD2 4.42Å; L104-L109 HydrophobicContact CB-CG 4.31Å; L109-P157 WeakPolarHBondContact O-CD 3.28Å; L109-L163 HydrophobicContact CB-CD2 4.25Å; L109-L163 HydrophobicContact CD1-CD1 4.27Å; L109-V301 WeakPolarHBondContact O-CG1 3.43Å; L109-V303 HydrophobicContact CD1-CG1 3.83Å; L109-V303 HydrophobicContact CD1-CG2 3.96Å; L109-V303 HydrophobicContact CD2-CG1 4.16Å; L109-V303 HydrophobicContact CD2-CG2 4.38Å
110L98.9Very high98.4Very high2 Ų229.7 Ų29.71%0.0114%0.144CC..EExtended strand (participates in β ladder)trans-156.3140.5-174.7175.162.4000110.5I102 R112 P157 A161 L163 V301I102-L110 HydrophobicContact CD1-CD2 4.46Å; I102-L110 PolarHBondContact N-O 3.44Å; I102-L110 PolarHBondContact O-N 3.1Å; L110-R112 HydrophobicContact CD2-CB 4.3Å; L110-R112 HydrophobicContact CG-CB 4.34Å; L110-P157 HydrophobicContact CD1-CB 4.01Å; L110-A161 HydrophobicContact CD1-CB 3.97Å; L110-A161 HydrophobicContact CD2-CB 4.07Å; L110-L163 HydrophobicContact CB-CD2 3.99Å; L110-L163 HydrophobicContact CD2-CD2 4.19Å; L110-V301 HydrophobicContact CB-CG2 4.47Å; L110-V301 HydrophobicContact CD1-CG2 4.4Å
111I98.9Very high98.3Very high1 Ų131.1 Ų31.11%0.00516%0.159CC..EExtended strand (participates in β ladder)trans-108.6108.3164-55.1174.5000107.9V90 C99 R100 V101 I108 P113 Y141 L143 P157 F158 G159V90-I111 HydrophobicContact CG2-CG2 4.29Å; C99-I111 HydrophobicContact CB-CG2 3.86Å; R100-I111 CarbonylContact O-C 3.5Å; R100-I111 VanDerWaalsContact O-CA 3.3Å; R100-I111 WeakPolarHBondContact O-CA 3.46Å; V101-I111 HydrophobicContact CG1-CG1 4.45Å; V101-I111 HydrophobicContact CG2-CG1 4.39Å; V101-I111 HydrophobicContact CG2-CG2 4.29Å; I108-I111 HydrophobicContact CG2-CG1 4.01Å; I111-P113 VanDerWaalsContact O-CD 3.29Å; I111-P113 WeakPolarHBondContact O-CD 3.4Å; I111-Y141 HydrophobicContact CD1-CD1 3.53Å; I111-Y141 HydrophobicContact CD1-CE1 3.93Å; I111-Y141 HydrophobicContact CD1-CG 4Å; I111-L143 HydrophobicContact CD1-CD2 4.47Å; I111-P157 PolarHBondContact N-O 2.74Å; I111-F158 HydrophobicContact CB-CD2 3.72Å; I111-F158 HydrophobicContact CB-CE2 4.38Å; I111-F158 HydrophobicContact CB-CG 4.49Å; I111-F158 HydrophobicContact CD1-CD2 4.49Å; I111-F158 HydrophobicContact CG2-CD2 3.43Å; I111-F158 VanDerWaalsContact CG2-CD2 3.43Å; I111-F158 HydrophobicContact CG2-CE2 3.59Å; I111-F158 VanDerWaalsContact O-CA 3.28Å; I111-F158 WeakPolarHBondContact O-CA 3.04Å; I111-G159 PolarHBondContact O-N 2.9Å
112R98.9Very high98.3Very high1 Ų131.2 Ų31.20%0.00416%0.159CC..EExtended strand (participates in β ladder)trans-101.5104.6-177.817055.4169.960.313.9110.3C99 R100 L110 G159 D160 S172 E177C99-R112 WeakPolarHBondContact CA-O 3.47Å; R100-R112 HydrophobicContact CB-CB 4.28Å; R100-R112 PolarHBondContact N-O 3.36Å; R100-R112 PolarHBondContact O-N 2.74Å; L110-R112 HydrophobicContact CD2-CB 4.3Å; L110-R112 HydrophobicContact CG-CB 4.34Å; R112-G159 WeakPolarHBondContact CD-O 2.89Å; R112-D160 IonicContact NE-OD1 3.95Å; R112-D160 PolarHBondContact NE-OD1 3.25Å; R112-S172 PolarHBondContact NH2-O 2.64Å; R112-E177 IonicContact CZ-OE1 3.8Å; R112-E177 IonicContact CZ-OE2 2.63Å; R112-E177 IonicContact NH1-OE1 2.74Å; R112-E177 PolarHBondContact NH1-OE1 3.32Å; R112-E177 IonicContact NH1-OE2 3.51Å; R112-E177 PolarHBondContact NH1-OE2 2.71Å; R112-E177 IonicContact NH2-OE1 2.74Å; R112-E177 IonicContact NH2-OE2 2.66Å; R112-E177 PolarHBondContact NH2-OE2 2.78Å
113P98.9Very high98.2Very high0 Ų032.8 Ų32.80%017%0.166CC..EExtended strand (participates in β ladder)trans-75.5145.3175.132.3-37.6000112Y97 N98 I111 W132 F158Y97-P113 HydrophobicContact CD1-CB 3.83Å; Y97-P113 HydrophobicContact CG-CB 3.93Å; N98-P113 CarbonylContact O-C 3.55Å; N98-P113 WeakPolarHBondContact O-CA 3.07Å; I111-P113 VanDerWaalsContact O-CD 3.29Å; I111-P113 WeakPolarHBondContact O-CD 3.4Å; P113-W132 HydrophobicContact CB-CB 3.89Å; P113-W132 HydrophobicContact CB-CG 4.46Å; P113-W132 HydrophobicContact CG-CB 3.5Å; P113-W132 VanDerWaalsContact CG-CB 3.5Å; P113-W132 HydrophobicContact CG-CD2 3.75Å; P113-W132 HydrophobicContact CG-CE3 3.99Å; P113-W132 HydrophobicContact CG-CG 3.56Å; P113-F158 HydrophobicContact CB-CE1 3.99Å; P113-F158 HydrophobicContact CB-CZ 3.76Å; P113-F158 HydrophobicContact CG-CD1 4.22Å; P113-F158 HydrophobicContact CG-CE1 3.62Å; P113-F158 HydrophobicContact CG-CZ 3.87Å
114K98.8Very high98.2Very high1 Ų135.1 Ų35.10%0.00417%0.174CC..  trans-63.2137.3174.1-164167.4-175.1-1690111.1E45 N98 A116 L117 E125 W132 I174 E177E45-K114 WeakPolarHBondContact OE1-CD 3.42Å; E45-K114 WeakPolarHBondContact OE1-CE 3.3Å; E45-K114 IonicContact OE1-NZ 3.6Å; E45-K114 PolarHBondContact OE1-NZ 2.9Å; E45-K114 IonicContact OE2-NZ 3.51Å; N98-K114 HydrophobicContact CB-CB 4.17Å; N98-K114 HydrophobicContact CB-CD 4.45Å; N98-K114 WeakPolarHBondContact O-CB 3.45Å; N98-K114 PolarHBondContact O-N 3.24Å; K114-A116 WeakPolarHBondContact CE-O 3.5Å; K114-A116 WeakPolarHBondContact CG-O 3.44Å; K114-L117 HydrophobicContact CB-CD2 3.98Å; K114-L117 HydrophobicContact CD-CD2 3.76Å; K114-L117 HydrophobicContact CG-CD2 3.84Å; K114-E125 VanDerWaalsContact NZ-CD 3.27Å; K114-E125 IonicContact NZ-OE1 2.56Å; K114-E125 PolarHBondContact NZ-OE1 2.97Å; K114-E125 IonicContact NZ-OE2 3.25Å; K114-E125 PolarHBondContact NZ-OE2 3.12Å; K114-W132 PolarHBondContact O-N 2.77Å; K114-I174 HydrophobicContact CB-CB 4.47Å; K114-I174 HydrophobicContact CB-CD1 3.87Å; K114-I174 HydrophobicContact CD-CB 4.09Å; K114-I174 HydrophobicContact CD-CG2 3.75Å; K114-I174 WeakPolarHBondContact CE-O 3.48Å; K114-I174 HydrophobicContact CG-CB 3.98Å; K114-I174 HydrophobicContact CG-CD1 4.32Å; K114-I174 HydrophobicContact CG-CG2 4.17Å; K114-E177 WeakPolarHBondContact CA-OE1 3.32Å
115M98.6Very high98.1Very high42 Ų4234.6 Ų34.621%0.20717%0.172CC..SBendtrans-106.7-26.2-173.7-62.4179.969.900112.4P131 W132 D160 E177M115-P131 WeakPolarHBondContact O-CB 3.35Å; M115-W132 HydrophobicContact CG-CB 4.05Å; M115-D160 HydrophobicContact CE-CB 4.37Å; M115-D160 HydrophobicContact SD-CB 3.95Å; M115-D160 VanDerWaalsContact SD-CG 3.6Å; M115-E177 PolarHBondContact N-OE1 3.34Å
116A98.4Very high98.1Very high25 Ų2535.9 Ų35.921%0.20718%0.178CC..SBendtrans-122.8121.7172.800000109.8K114 E177 T180K114-A116 WeakPolarHBondContact CE-O 3.5Å; K114-A116 WeakPolarHBondContact CG-O 3.44Å; A116-E177 HydrophobicContact CB-CG 3.97Å; A116-T180 HydrophobicContact CB-CG2 3.56Å
117L98.4Very high98.2Very high24 Ų2436.4 Ų36.413%0.12618%0.18CC..  trans-104.8138-174.6-66.2-173.7000111.6K114 E125 L126 F129 P131K114-L117 HydrophobicContact CB-CD2 3.98Å; K114-L117 HydrophobicContact CD-CD2 3.76Å; K114-L117 HydrophobicContact CG-CD2 3.84Å; L117-E125 WeakPolarHBondContact CA-OE2 3.38Å; L117-E125 HydrophobicContact CB-CB 4Å; L117-E125 HydrophobicContact CD1-CB 4.48Å; L117-E125 HydrophobicContact CD2-CB 4.28Å; L117-E125 HydrophobicContact CG-CB 4.48Å; L117-L126 HydrophobicContact CB-CD2 4.18Å; L117-L126 HydrophobicContact CB-CG 4.22Å; L117-L126 HydrophobicContact CD1-CD2 3.79Å; L117-L126 HydrophobicContact CD1-CG 4.41Å; L117-F129 HydrophobicContact CD1-CB 3.75Å; L117-F129 VanDerWaalsContact CD1-O 3.32Å; L117-F129 WeakPolarHBondContact CD1-O 3.46Å; L117-F129 HydrophobicContact CD2-CB 4.4Å; L117-P131 HydrophobicContact CD1-CB 4.44Å; L117-P131 HydrophobicContact CG-CB 4.24Å
118A97.4Very high98.2Very high3 Ų333.1 Ų33.13%0.02517%0.165CC..  trans-75.8122.917900000111.2Y123 R124 E125 E176A118-Y123 HydrophobicContact CB-CD1 4.29Å; A118-Y123 HydrophobicContact CB-CD2 4.25Å; A118-Y123 HydrophobicContact CB-CG 3.79Å; A118-R124 PolarHBondContact O-N 3.46Å; A118-E125 HydrophobicContact CB-CG 4.19Å; A118-E125 PolarHBondContact N-OE2 3.07Å; A118-E125 WeakPolarHBondContact O-CB 3.31Å; A118-E125 PolarHBondContact O-N 3.37Å; A118-E176 WeakPolarHBondContact CA-OE2 3.41Å; A118-E176 WeakPolarHBondContact CB-OE2 3.2Å
119N97.4Very high98.2Very high78 Ų7833.2 Ų33.242%0.41717%0.166SC..  trans-138.626.3-177.3-15865.6000113.5Y123 R124 L126N119-Y123 CarbonylContact C-O 3.56Å; N119-R124 WeakPolarHBondContact OD1-CA 3.46Å; N119-L126 HydrophobicContact CB-CD1 3.9Å; N119-L126 HydrophobicContact CB-CG 4.33Å
120E94.8Very high98.2Very high144 Ų14435.1 Ų35.167%0.67318%0.179SC*.SBendtrans-119.6146-178.3-66-63.4154.800111.9N122 Y123E120-N122 PolarHBondContact O-N 3.18Å; E120-Y123 PolarHBondContact N-O 2.67Å; E120-Y123 PolarHBondContact O-N 3.04Å
121G96.4Very high98.1Very high30 Ų3037.1 Ų37.131%0.30919%0.192SC..THydrogen-bonded Turntrans60.1-115.917700000112.9
122N97.6Very high98.1Very high3 Ų337.4 Ų37.42%0.01619%0.193CC..THydrogen-bonded Turntrans-76.3-25.8177.4-66.1-52.3000112.3E120 H203 L240 H658 F669E120-N122 PolarHBondContact O-N 3.18Å; N122-H203 PolarHBondContact ND2-NE2 2.93Å; N122-L240 HydrophobicContact CB-CD1 4.14Å; N122-L240 HydrophobicContact CB-CD2 4.23Å; N122-H658 PolarHBondContact ND2-CE1 3.07Å; N122-H658 VanDerWaalsContact ND2-CE1 3.33Å; N122-H658 PolarHBondContact ND2-ND1 3.42Å; N122-H658 PolarHBondContact ND2-NE2 3.25Å; N122-F669 WeakPolarHBondContact OD1-CB 3.46Å; N122-F669 WeakPolarHBondContact OD1-CD2 3.46Å
123Y97.9Very high98.1Very high35 Ų3542.3 Ų42.314%0.13723%0.227CC..  trans-79.5144-177.4-55.4-70.8000111.6Y51 A118 N119 E120 G201 S202 H203Y51-Y123 HydrophobicContact CE1-CD1 4.06Å; Y51-Y123 HydrophobicContact CE1-CE1 4.02Å; Y51-Y123 AromaticContact CZ-CD1 3.99Å; Y51-Y123 VanDerWaalsContact OH-CD1 3.26Å; Y51-Y123 WeakPolarHBondContact OH-CD1 3.44Å; A118-Y123 HydrophobicContact CB-CD1 4.29Å; A118-Y123 HydrophobicContact CB-CD2 4.25Å; A118-Y123 HydrophobicContact CB-CG 3.79Å; N119-Y123 CarbonylContact C-O 3.56Å; E120-Y123 PolarHBondContact N-O 2.67Å; E120-Y123 PolarHBondContact O-N 3.04Å; Y123-G201 PolarHBondContact OH-O 3.15Å; Y123-S202 WeakPolarHBondContact OH-CA 3.06Å; Y123-H203 AromaticContact CE1-ND1 3.76Å; Y123-H203 AromaticContact CE2-CE1 3.38Å; Y123-H203 WeakPolarHBondContact CE2-CE1 3.45Å; Y123-H203 AromaticContact CE2-ND1 3.74Å; Y123-H203 AromaticContact CZ-CE1 3.39Å; Y123-H203 AromaticContact CZ-ND1 3.21Å; Y123-H203 PolarHBondContact OH-CE1 2.91Å; Y123-H203 PolarHBondContact OH-N 3.42Å; Y123-H203 PolarHBondContact OH-ND1 2.9Å
124R97.8Very high98Very high49 Ų4948.5 Ų48.519%0.18525%0.25CS..  trans-155.640.4179.861.8-169.165.3-168.2-11.4111.8W54 A118 N119 L126 R127 W128 R668W54-R124 HydrophobicContact CZ3-CG 4.47Å; A118-R124 PolarHBondContact O-N 3.46Å; N119-R124 WeakPolarHBondContact OD1-CA 3.46Å; R124-L126 PolarHBondContact O-N 2.8Å; R124-L126 VanDerWaalsContact O-N 3.11Å; R124-R127 HydrophobicContact CG-CB 4.42Å; R124-R127 WeakPolarHBondContact O-CB 3.37Å; R124-R127 PolarHBondContact O-N 3.41Å; R124-W128 HydrophobicContact CG-CH2 3.51Å; R124-W128 HydrophobicContact CG-CZ2 3.89Å; R124-W128 HydrophobicContact CG-CZ3 4.11Å; R124-R668 VanDerWaalsContact NH2-CA 3.31Å; R124-R668 PolarHBondContact NH2-O 2.59Å
125E98.6Very high97.9Very high1 Ų151.4 Ų51.41%0.00527%0.27CS..G310 helixtrans-56.1-32.2-171.8-66.4-173.5143.800112.9Y51 K114 L117 A118 R127 W128 F129Y51-E125 WeakPolarHBondContact CE2-OE1 3.4Å; Y51-E125 WeakPolarHBondContact OH-CG 3.42Å; Y51-E125 PolarHBondContact OH-OE1 3.31Å; K114-E125 VanDerWaalsContact NZ-CD 3.27Å; K114-E125 IonicContact NZ-OE1 2.56Å; K114-E125 PolarHBondContact NZ-OE1 2.97Å; K114-E125 IonicContact NZ-OE2 3.25Å; K114-E125 PolarHBondContact NZ-OE2 3.12Å; L117-E125 WeakPolarHBondContact CA-OE2 3.38Å; L117-E125 HydrophobicContact CB-CB 4Å; L117-E125 HydrophobicContact CD1-CB 4.48Å; L117-E125 HydrophobicContact CD2-CB 4.28Å; L117-E125 HydrophobicContact CG-CB 4.48Å; A118-E125 HydrophobicContact CB-CG 4.19Å; A118-E125 PolarHBondContact N-OE2 3.07Å; A118-E125 WeakPolarHBondContact O-CB 3.31Å; A118-E125 PolarHBondContact O-N 3.37Å; E125-R127 PolarHBondContact O-N 3.37Å; E125-W128 PolarHBondContact O-N 2.93Å; E125-F129 HydrophobicContact CB-CD2 4.36Å; E125-F129 PolarHBondContact O-N 2.69Å
126L98.5Very high97.8Very high92 Ų9251.9 Ų51.948%0.48227%0.27SS..G310 helixtrans-60-16.6174.8-72.6173.1000113.7L117 N119 R124 W128L117-L126 HydrophobicContact CB-CD2 4.18Å; L117-L126 HydrophobicContact CB-CG 4.22Å; L117-L126 HydrophobicContact CD1-CD2 3.79Å; L117-L126 HydrophobicContact CD1-CG 4.41Å; N119-L126 HydrophobicContact CB-CD1 3.9Å; N119-L126 HydrophobicContact CB-CG 4.33Å; R124-L126 PolarHBondContact O-N 2.8Å; R124-L126 VanDerWaalsContact O-N 3.11Å; L126-W128 VanDerWaalsContact C-N 3.28Å
127R98.6Very high97.8Very high121 Ų12155.9 Ų55.946%0.45728%0.284SS..G310 helixtrans-62.7-37171.3-175.8170.4174.1751.2111.4D55 Y58 R124 E125D55-R127 IonicContact OD1-CZ 3.94Å; D55-R127 IonicContact OD1-NE 3.51Å; D55-R127 PolarHBondContact OD1-NE 2.79Å; D55-R127 IonicContact OD1-NH2 3.8Å; D55-R127 PolarHBondContact OD1-NH2 2.81Å; D55-R127 IonicContact OD2-CZ 3.47Å; D55-R127 IonicContact OD2-NE 3.07Å; D55-R127 IonicContact OD2-NH2 3.69Å; D55-R127 PolarHBondContact OD2-NH2 2.81Å; Y58-R127 VanDerWaalsContact CE1-O 3.28Å; Y58-R127 WeakPolarHBondContact CE1-O 3.32Å; Y58-R127 HydrophobicContact CE2-CG 4.43Å; Y58-R127 VanDerWaalsContact CZ-O 3.27Å; Y58-R127 WeakPolarHBondContact OH-CG 3.11Å; Y58-R127 PolarHBondContact OH-O 2.71Å; R124-R127 HydrophobicContact CG-CB 4.42Å; R124-R127 WeakPolarHBondContact O-CB 3.37Å; R124-R127 PolarHBondContact O-N 3.41Å; E125-R127 PolarHBondContact O-N 3.37Å
128W98.6Very high97.8Very high16 Ų1657.4 Ų57.46%0.06130%0.295CS..THydrogen-bonded Turntrans-117.9-28.4-170.4-43.5-67.4000114W54 D55 Y57 Y58 R96 R124 E125 L126W54-W128 VanDerWaalsContact C-CE2 3.48Å; W54-W128 VanDerWaalsContact CA-CZ2 3.45Å; W54-W128 HydrophobicContact CB-CZ2 4.09Å; W54-W128 HydrophobicContact CD2-CH2 4.32Å; W54-W128 AromaticContact CE3-CH2 3.55Å; W54-W128 HydrophobicContact CE3-CH2 3.55Å; W54-W128 AromaticContact CE3-CZ2 3.81Å; W54-W128 HydrophobicContact CE3-CZ2 3.81Å; W54-W128 HydrophobicContact CZ3-CH2 4.05Å; W54-W128 PolarHBondContact O-NE1 3.33Å; D55-W128 PolarHBondContact OD1-NE1 3.33Å; Y57-W128 HydrophobicContact CD2-CB 4.25Å; Y57-W128 AromaticContact CD2-CD2 3.89Å; Y57-W128 HydrophobicContact CD2-CD2 3.89Å; Y57-W128 AromaticContact CD2-CE3 3.83Å; Y57-W128 HydrophobicContact CD2-CE3 3.83Å; Y57-W128 HydrophobicContact CD2-CG 4.06Å; Y57-W128 HydrophobicContact CD2-CZ3 4.48Å; Y57-W128 HydrophobicContact CE2-CE3 4.32Å; Y57-W128 HydrophobicContact CG-CB 4.34Å; Y57-W128 HydrophobicContact CG-CG 4.45Å; Y58-W128 AromaticContact CE1-CD1 3.9Å; Y58-W128 AromaticContact CE2-CD1 3.69Å; Y58-W128 AromaticContact CE2-NE1 3.97Å; Y58-W128 AromaticContact CZ-CD1 3.6Å; R96-W128 WeakPolarHBondContact CD-O 3.18Å; R96-W128 PolarHBondContact NH1-O 2.87Å; R124-W128 HydrophobicContact CG-CH2 3.51Å; R124-W128 HydrophobicContact CG-CZ2 3.89Å; R124-W128 HydrophobicContact CG-CZ3 4.11Å; E125-W128 PolarHBondContact O-N 2.93Å; L126-W128 VanDerWaalsContact C-N 3.28Å
129F98.9Very high97.8Very high5 Ų558.5 Ų58.52%0.02230%0.299CS..  trans-119.7155.2-172.2-58.3-66.9000111.9L46 Y57 P89 R96 N98 L117 E125L46-F129 HydrophobicContact CD1-CE2 4.09Å; L46-F129 HydrophobicContact CD1-CZ 4.12Å; L46-F129 HydrophobicContact CD2-CZ 4.49Å; Y57-F129 HydrophobicContact CD1-CE1 4.39Å; Y57-F129 HydrophobicContact CD1-CE2 4.45Å; Y57-F129 AromaticContact CD1-CZ 3.64Å; Y57-F129 HydrophobicContact CD1-CZ 3.64Å; Y57-F129 AromaticContact CD2-CE2 3.78Å; Y57-F129 HydrophobicContact CD2-CE2 3.78Å; Y57-F129 AromaticContact CD2-CZ 3.8Å; Y57-F129 HydrophobicContact CD2-CZ 3.8Å; Y57-F129 AromaticContact CE1-CZ 3.81Å; Y57-F129 HydrophobicContact CE1-CZ 3.81Å; Y57-F129 AromaticContact CE2-CE2 3.84Å; Y57-F129 HydrophobicContact CE2-CE2 3.84Å; Y57-F129 AromaticContact CE2-CZ 3.93Å; Y57-F129 HydrophobicContact CE2-CZ 3.93Å; Y57-F129 HydrophobicContact CG-CE1 4.49Å; Y57-F129 HydrophobicContact CG-CE2 4.11Å; Y57-F129 AromaticContact CG-CZ 3.66Å; Y57-F129 HydrophobicContact CG-CZ 3.66Å; Y57-F129 AromaticContact CZ-CZ 3.96Å; P89-F129 HydrophobicContact CB-CE1 3.8Å; P89-F129 HydrophobicContact CB-CZ 4.2Å; R96-F129 HydrophobicContact CB-CD1 4.43Å; R96-F129 HydrophobicContact CG-CD1 3.79Å; R96-F129 HydrophobicContact CG-CE1 3.85Å; R96-F129 CarbonylContact O-C 3.49Å; R96-F129 WeakPolarHBondContact O-CA 3.43Å; N98-F129 HydrophobicContact CB-CD1 4.14Å; N98-F129 HydrophobicContact CB-CD2 4.17Å; N98-F129 HydrophobicContact CB-CE1 4.3Å; N98-F129 HydrophobicContact CB-CE2 4.33Å; N98-F129 HydrophobicContact CB-CG 4.06Å; N98-F129 HydrophobicContact CB-CZ 4.39Å; L117-F129 HydrophobicContact CD1-CB 3.75Å; L117-F129 VanDerWaalsContact CD1-O 3.32Å; L117-F129 WeakPolarHBondContact CD1-O 3.46Å; L117-F129 HydrophobicContact CD2-CB 4.4Å; E125-F129 HydrophobicContact CB-CD2 4.36Å; E125-F129 PolarHBondContact O-N 2.69Å
130T98.9Very high97.9Very high65 Ų6560 Ų6040%0.39930%0.304SS..  trans-110.6138.7171.5-58.90000109.2V95 R96 Y97V95-T130 VanDerWaalsContact CG1-CB 3.47Å; V95-T130 HydrophobicContact CG1-CG2 3.88Å; V95-T130 WeakPolarHBondContact CG1-OG1 3.36Å; R96-T130 PolarHBondContact O-N 2.74Å; Y97-T130 WeakPolarHBondContact CD1-O 3.4Å; Y97-T130 WeakPolarHBondContact CE1-O 3.42Å
131P98.7Very high98.1Very high44 Ų4453.9 Ų53.929%0.28628%0.275SS..  trans-68.2141.5173.228.2-32.3000110.3M115 L117 S133M115-P131 WeakPolarHBondContact O-CB 3.35Å; L117-P131 HydrophobicContact CD1-CB 4.44Å; L117-P131 HydrophobicContact CG-CB 4.24Å; P131-S133 PolarHBondContact O-N 2.93Å
132W98.7Very high98.2Very high7 Ų757.6 Ų57.63%0.02729%0.287CS..  trans-70.1118.3168.4178.1-101.1000110.9Y97 P113 K114 M115 R134 E139 F158Y97-W132 HydrophobicContact CD1-CB 4.44Å; Y97-W132 HydrophobicContact CE1-CB 4.31Å; Y97-W132 HydrophobicContact CE1-CE3 4Å; P113-W132 HydrophobicContact CB-CB 3.89Å; P113-W132 HydrophobicContact CB-CG 4.46Å; P113-W132 HydrophobicContact CG-CB 3.5Å; P113-W132 VanDerWaalsContact CG-CB 3.5Å; P113-W132 HydrophobicContact CG-CD2 3.75Å; P113-W132 HydrophobicContact CG-CE3 3.99Å; P113-W132 HydrophobicContact CG-CG 3.56Å; K114-W132 PolarHBondContact O-N 2.77Å; M115-W132 HydrophobicContact CG-CB 4.05Å; W132-R134 HydrophobicContact CH2-CB 4.44Å; W132-R134 HydrophobicContact CH2-CG 4.49Å; W132-R134 HydrophobicContact CZ2-CB 3.69Å; W132-R134 HydrophobicContact CZ2-CG 4.2Å; W132-R134 PolarHBondContact NE1-O 2.87Å; W132-E139 HydrophobicContact CH2-CB 4.47Å; W132-E139 HydrophobicContact CH2-CG 3.94Å; W132-F158 HydrophobicContact CE3-CD1 4.24Å; W132-F158 AromaticContact CE3-CE1 3.72Å; W132-F158 HydrophobicContact CE3-CE1 3.72Å; W132-F158 HydrophobicContact CH2-CD1 4.13Å; W132-F158 HydrophobicContact CH2-CE1 4.4Å; W132-F158 AromaticContact CZ3-CD1 3.8Å; W132-F158 HydrophobicContact CZ3-CD1 3.8Å; W132-F158 AromaticContact CZ3-CE1 3.62Å; W132-F158 HydrophobicContact CZ3-CE1 3.62Å
133S97.9Very high98.3Very high103 Ų10357.6 Ų57.672%0.7229%0.287SS*.  trans-100.9-10.1-172.357.40000114.7P131 S135P131-S133 PolarHBondContact O-N 2.93Å; S133-S135 PolarHBondContact O-N 2.85Å
134R96.8Very high98.3Very high131 Ų13157.8 Ų57.849%0.49429%0.292SS..  trans-92.870.7-179.9-48.4-17580.5146.910.3110.1W132 H137 E139W132-R134 HydrophobicContact CH2-CB 4.44Å; W132-R134 HydrophobicContact CH2-CG 4.49Å; W132-R134 HydrophobicContact CZ2-CB 3.69Å; W132-R134 HydrophobicContact CZ2-CG 4.2Å; W132-R134 PolarHBondContact NE1-O 2.87Å; R134-H137 HydrophobicContact CB-CB 4.07Å; R134-H137 PolarHBondContact O-N 3.41Å; R134-E139 IonicContact CZ-OE1 3.55Å; R134-E139 IonicContact NE-OE1 3.6Å; R134-E139 IonicContact NH1-OE1 2.73Å; R134-E139 PolarHBondContact NH1-OE1 2.94Å
135S96.4Very high98.4Very high61 Ų6163.1 Ų63.143%0.42731%0.312SS..THydrogen-bonded Turntrans-55142.4178.355.10000111.7S133 H137S133-S135 PolarHBondContact O-N 2.85Å; S135-H137 PolarHBondContact O-N 2.71Å; S135-H137 PolarHBondContact O-ND1 2.74Å
136R96.7Very high98.3Very high52 Ų5266.4 Ų66.420%0.19633%0.329CS..THydrogen-bonded Turntrans56.526.3-177.5-46.7-62.4175.4-93.7-6.6114.7D160 D187 Y298 P299R136-D160 IonicContact CZ-OD2 2.85Å; R136-D160 PolarHBondContact N-OD2 3.09Å; R136-D160 IonicContact NH1-OD1 3.2Å; R136-D160 IonicContact NH1-OD2 3.04Å; R136-D160 PolarHBondContact NH1-OD2 3.47Å; R136-D187 IonicContact CZ-OD2 3.68Å; R136-D187 IonicContact NH2-OD2 2.78Å; R136-D187 PolarHBondContact NH2-OD2 3.02Å; R136-Y298 VanDerWaalsContact NH1-CE1 3.29Å; R136-Y298 PolarHBondContact NH1-OH 2.93Å; R136-Y298 PolarHBondContact NH2-OH 2.9Å; R136-P299 WeakPolarHBondContact O-CD 3.42Å; R136-P299 WeakPolarHBondContact O-CG 3.18Å
137H98.2Very high98.4Very high109 Ų10962 Ų6251%0.50531%0.306SS..  trans-132.3150177.3-68.475.2000110.8R134 S135 D160R134-H137 HydrophobicContact CB-CB 4.07Å; R134-H137 PolarHBondContact O-N 3.41Å; S135-H137 PolarHBondContact O-N 2.71Å; S135-H137 PolarHBondContact O-ND1 2.74Å; H137-D160 PolarHBondContact O-N 2.94Å
138T98.7Very high98.4Very high57 Ų5758 Ų5835%0.3529%0.292SS..EExtended strand (participates in β ladder)trans-122.3153.6170.653.60000110.7F158 A161 P299T138-F158 CarbonylContact C-O 3.52Å; T138-F158 VanDerWaalsContact CA-O 3.3Å; T138-F158 WeakPolarHBondContact CA-O 3.35Å; T138-A161 HydrophobicContact CG2-CB 3.67Å; T138-P299 HydrophobicContact CG2-CB 4.31Å
139E98.8Very high98.4Very high25 Ų2560.9 Ų60.912%0.11731%0.308CS..EExtended strand (participates in β ladder)trans-122.5159.4168.1-63.8-175.1158.800109.1H92 R93 W132 R134 F158H92-E139 IonicContact CD2-OE2 3.59Å; H92-E139 IonicContact CE1-OE2 2.64Å; H92-E139 IonicContact NE2-OE2 3.79Å; H92-E139 PolarHBondContact NE2-OE2 3.07Å; R93-E139 VanDerWaalsContact CZ-CD 3.47Å; R93-E139 IonicContact CZ-OE1 3.89Å; R93-E139 IonicContact CZ-OE2 3.66Å; R93-E139 IonicContact NE-OE2 3.42Å; R93-E139 PolarHBondContact NE-OE2 2.73Å; R93-E139 IonicContact NH1-OE1 2.66Å; R93-E139 PolarHBondContact NH1-OE1 3.2Å; R93-E139 IonicContact NH1-OE2 2.89Å; R93-E139 PolarHBondContact NH1-OE2 2.85Å; R93-E139 IonicContact NH2-OE1 3.78Å; R93-E139 IonicContact NH2-OE2 3.96Å; R93-E139 PolarHBondContact NH2-OE2 2.95Å; W132-E139 HydrophobicContact CH2-CB 4.47Å; W132-E139 HydrophobicContact CH2-CG 3.94Å; R134-E139 IonicContact CZ-OE1 3.55Å; R134-E139 IonicContact NE-OE1 3.6Å; R134-E139 IonicContact NH1-OE1 2.73Å; R134-E139 PolarHBondContact NH1-OE1 2.94Å; E139-F158 PolarHBondContact N-O 2.8Å; E139-F158 PolarHBondContact O-N 3.15Å
140E98.8Very high98.3Very high110 Ų11061.2 Ų61.251%0.51431%0.31SS..EExtended strand (participates in β ladder)trans-76.8123.2171.2-65.4-59132.700109.9H92 T155H92-E140 PolarHBondContact CE1-O 3.09Å; E140-T155 HydrophobicContact CB-CG2 4.24Å; E140-T155 WeakPolarHBondContact OE2-CB 3.28Å; E140-T155 PolarHBondContact OE2-OG1 2.9Å
141Y98.8Very high98.3Very high16 Ų1658.3 Ų58.36%0.06329%0.293CS..EExtended strand (participates in β ladder)trans-96.9119.4171.3176.4-92.7000110F67 V90 M91 H92 I111 L143 T155 A156 F158F67-Y141 HydrophobicContact CZ-CE1 4.3Å; F67-Y141 WeakPolarHBondContact CZ-OH 3.37Å; V90-Y141 HydrophobicContact CG1-CD2 4.27Å; V90-Y141 HydrophobicContact CG1-CE1 4.44Å; V90-Y141 HydrophobicContact CG1-CE2 3.49Å; V90-Y141 VanDerWaalsContact CG1-CE2 3.49Å; M91-Y141 WeakPolarHBondContact O-CE2 3.43Å; H92-Y141 HydrophobicContact CB-CD2 3.97Å; H92-Y141 HydrophobicContact CB-CE2 4.22Å; H92-Y141 AromaticContact ND1-CD2 3.51Å; I111-Y141 HydrophobicContact CD1-CD1 3.53Å; I111-Y141 HydrophobicContact CD1-CE1 3.93Å; I111-Y141 HydrophobicContact CD1-CG 4Å; Y141-L143 HydrophobicContact CD1-CD2 3.84Å; Y141-L143 HydrophobicContact CD1-CG 4.45Å; Y141-L143 HydrophobicContact CE1-CD2 3.97Å; Y141-L143 PolarHBondContact O-N 2.68Å; Y141-T155 CarbonylContact O-C 3.53Å; Y141-T155 WeakPolarHBondContact O-CA 3.25Å; Y141-T155 WeakPolarHBondContact O-CB 3.27Å; Y141-A156 WeakPolarHBondContact CB-O 3.49Å; Y141-A156 PolarHBondContact N-O 3.11Å; Y141-A156 PolarHBondContact O-N 2.96Å; Y141-F158 AromaticContact CD2-CD2 3.98Å; Y141-F158 HydrophobicContact CD2-CD2 3.98Å; Y141-F158 HydrophobicContact CD2-CE2 4.47Å; Y141-F158 HydrophobicContact CG-CD2 4.24Å
142L98.8Very high98.3Very high108 Ų10863.6 Ų63.657%0.56531%0.311SS*.EExtended strand (participates in β ladder)trans-72.7115.7176-173.268.9000109.6E154 T155L142-E154 HydrophobicContact CD1-CG 3.85Å; L142-T155 HydrophobicContact CD1-CG2 4.27Å
143L98.8Very high98.3Very high3 Ų365 Ų652%0.01632%0.318CS..  trans-71.3144.5-176-68.2169.7000110.9I108 I111 Y141 I147 Q148 Q153 E154 A156I108-L143 HydrophobicContact CD1-CD1 4.4Å; I108-L143 HydrophobicContact CD1-CD2 3.63Å; I111-L143 HydrophobicContact CD1-CD2 4.47Å; Y141-L143 HydrophobicContact CD1-CD2 3.84Å; Y141-L143 HydrophobicContact CD1-CG 4.45Å; Y141-L143 HydrophobicContact CE1-CD2 3.97Å; Y141-L143 PolarHBondContact O-N 2.68Å; L143-I147 HydrophobicContact CB-CB 4.35Å; L143-I147 HydrophobicContact CB-CG2 4.28Å; L143-I147 HydrophobicContact CD1-CG2 4.14Å; L143-I147 HydrophobicContact CD2-CG2 4.13Å; L143-I147 HydrophobicContact CG-CG2 4.43Å; L143-Q148 HydrophobicContact CB-CG 3.98Å; L143-Q148 WeakPolarHBondContact O-CG 3.36Å; L143-Q148 PolarHBondContact O-NE2 3.19Å; L143-Q153 HydrophobicContact CD1-CB 3.63Å; L143-E154 PolarHBondContact N-O 3.21Å; L143-A156 HydrophobicContact CD1-CB 4.37Å; L143-A156 HydrophobicContact CD2-CB 4.25Å; L143-A156 HydrophobicContact CG-CB 4.46Å
144P98.7Very high98.3Very high38 Ų3866.7 Ų66.725%0.24731%0.314CS..  trans-56.2146.8171.1-25.134.5000111.1F67 M146 I147 Q148F67-P144 HydrophobicContact CD1-CG 3.88Å; F67-P144 HydrophobicContact CD2-CG 4.01Å; F67-P144 HydrophobicContact CE1-CG 3.83Å; F67-P144 HydrophobicContact CE2-CG 3.95Å; F67-P144 HydrophobicContact CG-CG 4Å; F67-P144 HydrophobicContact CZ-CG 3.88Å; P144-M146 HydrophobicContact CB-CG 4.17Å; P144-M146 PolarHBondContact O-N 3.21Å; P144-M146 VanDerWaalsContact O-N 3.12Å; P144-I147 HydrophobicContact CB-CG1 4.43Å; P144-I147 HydrophobicContact CG-CG1 4.48Å; P144-I147 WeakPolarHBondContact O-CA 3.18Å; P144-I147 WeakPolarHBondContact O-CB 2.95Å; P144-I147 PolarHBondContact O-N 2.67Å; P144-Q148 PolarHBondContact O-N 3.21Å
145R98.6Very high98.4Very high162 Ų16262.6 Ų62.661%0.61130%0.304SS*.Hα-helixtrans-54.9-38.7-174.8-172.664.1-167.4-169.3-1.6113.2I147 Q148 D149R145-I147 PolarHBondContact O-N 3.42Å; R145-Q148 PolarHBondContact O-N 3.37Å; R145-Q148 VanDerWaalsContact O-N 3.11Å; R145-D149 IonicContact CZ-OD1 2.74Å; R145-D149 VanDerWaalsContact CZ-OD1 3.24Å; R145-D149 IonicContact NE-OD1 3.75Å; R145-D149 PolarHBondContact NE-OD1 2.78Å; R145-D149 IonicContact NE-OD2 3.55Å; R145-D149 PolarHBondContact NE-OD2 2.85Å; R145-D149 IonicContact NH2-OD1 3.81Å; R145-D149 PolarHBondContact NH2-OD1 2.92Å; R145-D149 PolarHBondContact O-N 3.14Å
146M98.6Very high98.5Very high70 Ų7059.8 Ų59.835%0.34528%0.284SS..Hα-helixtrans-57.6-34.7175.371.4-173.4-58.400113.3F67 Q68 A71 P144 L150F67-M146 HydrophobicContact CB-SD 3.99Å; Q68-M146 HydrophobicContact CB-CE 4.23Å; Q68-M146 HydrophobicContact CG-CE 3.64Å; Q68-M146 HydrophobicContact CG-SD 4.47Å; A71-M146 HydrophobicContact CB-CE 4.06Å; P144-M146 HydrophobicContact CB-CG 4.17Å; P144-M146 PolarHBondContact O-N 3.21Å; P144-M146 VanDerWaalsContact O-N 3.12Å; M146-L150 WeakPolarHBondContact O-CB 3.02Å
147I98.8Very high98.6Very high0 Ų058.8 Ų58.80%029%0.285CS..Hα-helixtrans-80.5-39.7176.3-57.5-59.3000109.8F67 L70 A71 L74 I108 L143 P144 R145 D149 L150 T151F67-I147 HydrophobicContact CD1-CD1 4.32Å; F67-I147 HydrophobicContact CD1-CG1 3.93Å; L70-I147 HydrophobicContact CD2-CD1 4.38Å; L70-I147 HydrophobicContact CG-CD1 4.45Å; A71-I147 HydrophobicContact CB-CD1 3.9Å; L74-I147 HydrophobicContact CD1-CD1 4.18Å; L74-I147 HydrophobicContact CD1-CG2 4.36Å; I108-I147 HydrophobicContact CD1-CG2 3.64Å; L143-I147 HydrophobicContact CB-CB 4.35Å; L143-I147 HydrophobicContact CB-CG2 4.28Å; L143-I147 HydrophobicContact CD1-CG2 4.14Å; L143-I147 HydrophobicContact CD2-CG2 4.13Å; L143-I147 HydrophobicContact CG-CG2 4.43Å; P144-I147 HydrophobicContact CB-CG1 4.43Å; P144-I147 HydrophobicContact CG-CG1 4.48Å; P144-I147 WeakPolarHBondContact O-CA 3.18Å; P144-I147 WeakPolarHBondContact O-CB 2.95Å; P144-I147 PolarHBondContact O-N 2.67Å; R145-I147 PolarHBondContact O-N 3.42Å; I147-D149 PolarHBondContact O-N 3.41Å; I147-L150 WeakPolarHBondContact O-CB 3.27Å; I147-L150 PolarHBondContact O-N 3.41Å; I147-L150 VanDerWaalsContact O-N 3.11Å; I147-T151 HydrophobicContact CG2-CG2 3.68Å; I147-T151 WeakPolarHBondContact O-CG2 3.37Å; I147-T151 PolarHBondContact O-N 3.19Å; I147-T151 PolarHBondContact O-OG1 3.4Å
148Q98.8Very high98.6Very high35 Ų3553.6 Ų53.616%0.16426%0.261CS..Hα-helixtrans-59.4-46.8176.9-58.3-176.49.200112.1L143 P144 R145 L150 K152 Q153L143-Q148 HydrophobicContact CB-CG 3.98Å; L143-Q148 WeakPolarHBondContact O-CG 3.36Å; L143-Q148 PolarHBondContact O-NE2 3.19Å; P144-Q148 PolarHBondContact O-N 3.21Å; R145-Q148 PolarHBondContact O-N 3.37Å; R145-Q148 VanDerWaalsContact O-N 3.11Å; Q148-L150 PolarHBondContact O-N 3.03Å; Q148-K152 WeakPolarHBondContact O-CA 3.43Å; Q148-K152 PolarHBondContact O-N 3.17Å; Q148-Q153 WeakPolarHBondContact CA-O 3.46Å; Q148-Q153 WeakPolarHBondContact CG-O 3.42Å
149D98.5Very high98.7Very high77 Ų7750.9 Ų50.941%0.41224%0.244SC..Hα-helixtrans-61.9-28.8179.3-69.6-30.2000110.9R145 I147 K152R145-D149 IonicContact CZ-OD1 2.74Å; R145-D149 VanDerWaalsContact CZ-OD1 3.24Å; R145-D149 IonicContact NE-OD1 3.75Å; R145-D149 PolarHBondContact NE-OD1 2.78Å; R145-D149 IonicContact NE-OD2 3.55Å; R145-D149 PolarHBondContact NE-OD2 2.85Å; R145-D149 IonicContact NH2-OD1 3.81Å; R145-D149 PolarHBondContact NH2-OD1 2.92Å; R145-D149 PolarHBondContact O-N 3.14Å; I147-D149 PolarHBondContact O-N 3.41Å; D149-K152 VanDerWaalsContact O-CE 3.26Å; D149-K152 WeakPolarHBondContact O-CE 3.46Å; D149-K152 PolarHBondContact O-NZ 2.86Å
150L98.1Very high98.6Very high12 Ų1249.7 Ų49.76%0.06324%0.238CC..Hα-helixtrans-81.9-54.5179.5-169.774.5000113.9A71 L74 E75 R106 M146 I147 Q148A71-L150 HydrophobicContact CB-CD2 4.21Å; A71-L150 WeakPolarHBondContact O-CD2 3.2Å; L74-L150 HydrophobicContact CB-CD2 3.4Å; L74-L150 VanDerWaalsContact CB-CD2 3.4Å; L74-L150 HydrophobicContact CD1-CD2 3.98Å; L74-L150 HydrophobicContact CG-CD2 4.35Å; E75-L150 HydrophobicContact CG-CD1 3.15Å; E75-L150 HydrophobicContact CG-CD2 3.93Å; E75-L150 HydrophobicContact CG-CG 4.07Å; E75-L150 WeakPolarHBondContact OE1-CD1 3.32Å; R106-L150 HydrophobicContact CG-CG 4.26Å; R106-L150 PolarHBondContact NE-O 3.02Å; M146-L150 WeakPolarHBondContact O-CB 3.02Å; I147-L150 WeakPolarHBondContact O-CB 3.27Å; I147-L150 PolarHBondContact O-N 3.41Å; I147-L150 VanDerWaalsContact O-N 3.11Å; Q148-L150 PolarHBondContact O-N 3.03Å
151T98.1Very high98.6Very high4 Ų444.5 Ų44.53%0.02522%0.215CC..Hα-helixtrans-90.2-15.4-170.5680000111.8L74 R106 K107 I147 Q153L74-T151 HydrophobicContact CD1-CG2 3.85Å; L74-T151 HydrophobicContact CD2-CG2 4.4Å; R106-T151 WeakPolarHBondContact O-CA 3.4Å; R106-T151 VanDerWaalsContact O-CB 3.24Å; R106-T151 WeakPolarHBondContact O-CB 3.42Å; R106-T151 VanDerWaalsContact O-CG2 3.24Å; R106-T151 WeakPolarHBondContact O-CG2 3.44Å; K107-T151 VanDerWaalsContact CD-O 3.32Å; K107-T151 WeakPolarHBondContact CD-O 3.28Å; K107-T151 WeakPolarHBondContact CE-O 3.41Å; K107-T151 PolarHBondContact NZ-O 2.98Å; I147-T151 HydrophobicContact CG2-CG2 3.68Å; I147-T151 WeakPolarHBondContact O-CG2 3.37Å; I147-T151 PolarHBondContact O-N 3.19Å; I147-T151 PolarHBondContact O-OG1 3.4Å; T151-Q153 PolarHBondContact O-N 3.12Å; T151-Q153 WeakPolarHBondContact OG1-CB 3.2Å; T151-Q153 PolarHBondContact OG1-N 3.42Å
152K98.5Very high98.6Very high155 Ų15543.8 Ų43.867%0.67421%0.212SC*.  trans56.236-170.9-45.5-55-175-171.70111.9K107 Q148 D149K107-K152 PolarHBondContact NZ-O 2.96Å; Q148-K152 WeakPolarHBondContact O-CA 3.43Å; Q148-K152 PolarHBondContact O-N 3.17Å; D149-K152 VanDerWaalsContact O-CE 3.26Å; D149-K152 WeakPolarHBondContact O-CE 3.46Å; D149-K152 PolarHBondContact O-NZ 2.86Å
153Q98.4Very high98.7Very high36 Ų3638.8 Ų38.817%0.16819%0.186CC..  trans-115.6132171.7-64.9174-93.900108.3K107 I108 L143 Q148 T151K107-Q153 VanDerWaalsContact CA-OE1 3.23Å; K107-Q153 HydrophobicContact CD-CG 3.67Å; I108-Q153 PolarHBondContact O-NE2 3.1Å; L143-Q153 HydrophobicContact CD1-CB 3.63Å; Q148-Q153 WeakPolarHBondContact CA-O 3.46Å; Q148-Q153 WeakPolarHBondContact CG-O 3.42Å; T151-Q153 PolarHBondContact O-N 3.12Å; T151-Q153 WeakPolarHBondContact OG1-CB 3.2Å; T151-Q153 PolarHBondContact OG1-N 3.42Å
154E98.6Very high98.6Very high139 Ų13939.8 Ų39.865%0.6519%0.194SC*.SBendtrans-75.9-45.8170.7-174.3-179.4176.800110.2L142 L143L142-E154 HydrophobicContact CD1-CG 3.85Å; L143-E154 PolarHBondContact N-O 3.21Å
155T98.8Very high98.6Very high46 Ų4638.8 Ų38.828%0.28219%0.188SC..EExtended strand (participates in β ladder)trans-128.7165.2-178650000112.4E140 Y141 L142E140-T155 HydrophobicContact CB-CG2 4.24Å; E140-T155 WeakPolarHBondContact OE2-CB 3.28Å; E140-T155 PolarHBondContact OE2-OG1 2.9Å; Y141-T155 CarbonylContact O-C 3.53Å; Y141-T155 WeakPolarHBondContact O-CA 3.25Å; Y141-T155 WeakPolarHBondContact O-CB 3.27Å; L142-T155 HydrophobicContact CD1-CG2 4.27Å
156A98.8Very high98.6Very high1 Ų139.9 Ų39.91%0.00819%0.192CC..EExtended strand (participates in β ladder)trans-136.8153.416600000110.4I108 Y141 L143 F158I108-A156 HydrophobicContact CB-CB 4.26Å; I108-A156 HydrophobicContact CG2-CB 3.8Å; Y141-A156 WeakPolarHBondContact CB-O 3.49Å; Y141-A156 PolarHBondContact N-O 3.11Å; Y141-A156 PolarHBondContact O-N 2.96Å; L143-A156 HydrophobicContact CD1-CB 4.37Å; L143-A156 HydrophobicContact CD2-CB 4.25Å; L143-A156 HydrophobicContact CG-CB 4.46Å; A156-F158 PolarHBondContact O-N 2.94Å
157P98.9Very high98.5Very high31 Ų3137.3 Ų37.320%0.20118%0.179CC..EExtended strand (participates in β ladder)trans-59.6132.8173.3-22.633.3000111.6L109 L110 I111 V301L109-P157 WeakPolarHBondContact O-CD 3.28Å; L110-P157 HydrophobicContact CD1-CB 4.01Å; I111-P157 PolarHBondContact N-O 2.74Å; P157-V301 HydrophobicContact CB-CG2 4.26Å; P157-V301 HydrophobicContact CG-CG2 4.17Å
158F98.9Very high98.4Very high0 Ų037.9 Ų37.90%018%0.183CC..EExtended strand (participates in β ladder)trans-128.3119.2176.4-176.4-78.1000110.5V90 H92 Y97 I111 P113 W132 T138 E139 Y141 A156V90-F158 HydrophobicContact CB-CE2 4.42Å; V90-F158 HydrophobicContact CG1-CE2 4.01Å; H92-F158 HydrophobicContact CB-CD1 4.29Å; H92-F158 HydrophobicContact CB-CD2 4.33Å; H92-F158 HydrophobicContact CB-CE1 3.87Å; H92-F158 HydrophobicContact CB-CE2 3.93Å; H92-F158 HydrophobicContact CB-CZ 3.69Å; H92-F158 AromaticContact CD2-CD1 3.68Å; H92-F158 AromaticContact CD2-CE1 3.77Å; Y97-F158 HydrophobicContact CD2-CE1 4.09Å; Y97-F158 AromaticContact CD2-CZ 3.53Å; Y97-F158 HydrophobicContact CD2-CZ 3.53Å; Y97-F158 HydrophobicContact CE2-CE1 4.16Å; Y97-F158 HydrophobicContact CE2-CZ 4.05Å; Y97-F158 HydrophobicContact CG-CE1 4.43Å; Y97-F158 AromaticContact CG-CZ 3.85Å; Y97-F158 HydrophobicContact CG-CZ 3.85Å; I111-F158 HydrophobicContact CB-CD2 3.72Å; I111-F158 HydrophobicContact CB-CE2 4.38Å; I111-F158 HydrophobicContact CB-CG 4.49Å; I111-F158 HydrophobicContact CD1-CD2 4.49Å; I111-F158 HydrophobicContact CG2-CD2 3.43Å; I111-F158 VanDerWaalsContact CG2-CD2 3.43Å; I111-F158 HydrophobicContact CG2-CE2 3.59Å; I111-F158 VanDerWaalsContact O-CA 3.28Å; I111-F158 WeakPolarHBondContact O-CA 3.04Å; P113-F158 HydrophobicContact CB-CE1 3.99Å; P113-F158 HydrophobicContact CB-CZ 3.76Å; P113-F158 HydrophobicContact CG-CD1 4.22Å; P113-F158 HydrophobicContact CG-CE1 3.62Å; P113-F158 HydrophobicContact CG-CZ 3.87Å; W132-F158 HydrophobicContact CE3-CD1 4.24Å; W132-F158 AromaticContact CE3-CE1 3.72Å; W132-F158 HydrophobicContact CE3-CE1 3.72Å; W132-F158 HydrophobicContact CH2-CD1 4.13Å; W132-F158 HydrophobicContact CH2-CE1 4.4Å; W132-F158 AromaticContact CZ3-CD1 3.8Å; W132-F158 HydrophobicContact CZ3-CD1 3.8Å; W132-F158 AromaticContact CZ3-CE1 3.62Å; W132-F158 HydrophobicContact CZ3-CE1 3.62Å; T138-F158 CarbonylContact C-O 3.52Å; T138-F158 VanDerWaalsContact CA-O 3.3Å; T138-F158 WeakPolarHBondContact CA-O 3.35Å; E139-F158 PolarHBondContact N-O 2.8Å; E139-F158 PolarHBondContact O-N 3.15Å; Y141-F158 AromaticContact CD2-CD2 3.98Å; Y141-F158 HydrophobicContact CD2-CD2 3.98Å; Y141-F158 HydrophobicContact CD2-CE2 4.47Å; Y141-F158 HydrophobicContact CG-CD2 4.24Å; A156-F158 PolarHBondContact O-N 2.94Å
159G98.8Very high98.4Very high0 Ų036.8 Ų36.80%018%0.179CC..EExtended strand (participates in β ladder)trans142.6-152.8178.600000113.3I111 R112 A161I111-G159 PolarHBondContact O-N 2.9Å; R112-G159 WeakPolarHBondContact CD-O 2.89Å; G159-A161 PolarHBondContact O-N 3.32Å
160D98.7Very high98.4Very high0 Ų033.3 Ų33.30%016%0.16CC..SBendtrans-97.792.9-171-177.336000111.1R112 M115 R136 H137 Y298 P299R112-D160 IonicContact NE-OD1 3.95Å; R112-D160 PolarHBondContact NE-OD1 3.25Å; M115-D160 HydrophobicContact CE-CB 4.37Å; M115-D160 HydrophobicContact SD-CB 3.95Å; M115-D160 VanDerWaalsContact SD-CG 3.6Å; R136-D160 IonicContact CZ-OD2 2.85Å; R136-D160 PolarHBondContact N-OD2 3.09Å; R136-D160 IonicContact NH1-OD1 3.2Å; R136-D160 IonicContact NH1-OD2 3.04Å; R136-D160 PolarHBondContact NH1-OD2 3.47Å; H137-D160 PolarHBondContact O-N 2.94Å; D160-Y298 WeakPolarHBondContact OD1-CE1 3.23Å; D160-P299 WeakPolarHBondContact O-CD 3.42Å
161A98.8Very high98.4Very high2 Ų232.8 Ų32.82%0.01716%0.158CC..  trans-141.9167.7-17500000111.9L110 T138 G159 P299 V301L110-A161 HydrophobicContact CD1-CB 3.97Å; L110-A161 HydrophobicContact CD2-CB 4.07Å; T138-A161 HydrophobicContact CG2-CB 3.67Å; G159-A161 PolarHBondContact O-N 3.32Å; A161-P299 WeakPolarHBondContact CA-O 3.43Å; A161-P299 HydrophobicContact CB-CB 4Å; A161-P299 WeakPolarHBondContact CB-O 3.43Å; A161-V301 HydrophobicContact CB-CG2 4.31Å
162V98.9Very high98.5Very high1 Ų132.8 Ų32.81%0.00616%0.158CC..EExtended strand (participates in β ladder)trans-121.7156.2176.8-59.90000110.7M188 V193 Y298 P299 R300 V301V162-M188 HydrophobicContact CG1-CE 4.39Å; V162-M188 HydrophobicContact CG1-CG 4.48Å; V162-V193 HydrophobicContact CB-CG2 4.22Å; V162-V193 HydrophobicContact CG1-CG2 3.68Å; V162-Y298 HydrophobicContact CG1-CD1 3.96Å; V162-Y298 HydrophobicContact CG1-CG 3.97Å; V162-P299 PolarHBondContact N-O 3.34Å; V162-R300 HydrophobicContact CG2-CG 3.88Å; V162-R300 WeakPolarHBondContact O-CA 3.39Å; V162-V301 PolarHBondContact O-N 3.03Å
163L98.9Very high98.5Very high2 Ų225.4 Ų25.41%0.0113%0.126CC..EExtended strand (participates in β ladder)trans-93.9127176.1-54.8-174.7000110.1I102 L109 L110 C169 I170 V301 V303I102-L163 HydrophobicContact CB-CD1 4.46Å; I102-L163 HydrophobicContact CD1-CD1 4.06Å; I102-L163 HydrophobicContact CG2-CD1 3.76Å; L109-L163 HydrophobicContact CB-CD2 4.25Å; L109-L163 HydrophobicContact CD1-CD1 4.27Å; L110-L163 HydrophobicContact CB-CD2 3.99Å; L110-L163 HydrophobicContact CD2-CD2 4.19Å; L163-C169 CarbonylContact O-C 3.47Å; L163-C169 VanDerWaalsContact O-CA 3.27Å; L163-C169 WeakPolarHBondContact O-CA 3.38Å; L163-I170 HydrophobicContact CB-CB 4.38Å; L163-I170 PolarHBondContact N-O 2.72Å; L163-I170 PolarHBondContact O-N 2.78Å; L163-V301 HydrophobicContact CD2-CB 3.83Å; L163-V301 HydrophobicContact CD2-CG1 4.13Å; L163-V301 HydrophobicContact CD2-CG2 4.42Å; L163-V303 HydrophobicContact CB-CG2 4.13Å; L163-V303 HydrophobicContact CD2-CG2 4.21Å
164A98.6Very high98.5Very high24 Ų2423.7 Ų23.720%0.19812%0.118CC..EExtended strand (participates in β ladder)trans-108.7109172.800000109.3R300 V301 V303A164-R300 HydrophobicContact CB-CB 4.43Å; A164-V301 PolarHBondContact N-O 3.22Å; A164-V303 PolarHBondContact O-N 2.71Å
165T98.4Very high98.4Very high18 Ų1817.4 Ų17.411%0.119%0.089CC..  trans-88.3-177.1174.768.60000110I83 D167 T168 I170 V303 F305I83-T165 HydrophobicContact CD1-CG2 4.31Å; T165-D167 PolarHBondContact O-N 2.84Å; T165-D167 PolarHBondContact OG1-N 3.16Å; T165-D167 PolarHBondContact OG1-OD1 3.28Å; T165-T168 PolarHBondContact N-O 3.44Å; T165-T168 WeakPolarHBondContact OG1-CG2 3.47Å; T165-T168 PolarHBondContact OG1-N 2.88Å; T165-T168 PolarHBondContact OG1-O 3.19Å; T165-T168 VanDerWaalsContact OG1-O 3.08Å; T165-I170 HydrophobicContact CG2-CD1 4.45Å; T165-V303 HydrophobicContact CG2-CB 4.43Å; T165-F305 VanDerWaalsContact CB-O 3.23Å; T165-F305 WeakPolarHBondContact CB-O 3.38Å
166W97Very high98.4Very high185 Ų18517.2 Ų17.270%0.7019%0.085SC*.SBendtrans-63-23.6174.3-68.1126.2000114.1D304 F305 A306W166-D304 HydrophobicContact CZ2-CB 4.39Å; W166-D304 WeakPolarHBondContact CZ2-OD1 3.19Å; W166-D304 PolarHBondContact NE1-OD1 2.91Å; W166-F305 PolarHBondContact N-O 3.14Å; W166-A306 HydrophobicContact CB-CB 4.28Å
167D96.5Very high98.3Very high15 Ų1517.2 Ų17.28%0.089%0.085CC..SBendtrans-133.1-11.4-166.454.6-3.4000115.4T165 R279 L307 S308T165-D167 PolarHBondContact O-N 2.84Å; T165-D167 PolarHBondContact OG1-N 3.16Å; T165-D167 PolarHBondContact OG1-OD1 3.28Å; D167-R279 PolarHBondContact O-NH2 3.35Å; D167-L307 VanDerWaalsContact CG-N 3.31Å; D167-L307 PolarHBondContact OD1-N 3.01Å; D167-L307 PolarHBondContact OD2-N 3.39Å; D167-S308 WeakPolarHBondContact OD2-CB 3.33Å; D167-S308 PolarHBondContact OD2-N 3.49Å; D167-S308 PolarHBondContact OD2-OG 3.41Å
168T97.9Very high98.3Very high12 Ų1216 Ų167%0.0748%0.077CC..  trans-154.9177.9179.9-163.80000113.3T165 I170 E194 I195 L307T165-T168 PolarHBondContact N-O 3.44Å; T165-T168 WeakPolarHBondContact OG1-CG2 3.47Å; T165-T168 PolarHBondContact OG1-N 2.88Å; T165-T168 PolarHBondContact OG1-O 3.19Å; T165-T168 VanDerWaalsContact OG1-O 3.08Å; T168-I170 HydrophobicContact CG2-CD1 4.43Å; T168-I170 HydrophobicContact CG2-CG1 4.11Å; T168-E194 WeakPolarHBondContact CA-OE2 3.21Å; T168-E194 WeakPolarHBondContact CB-OE2 3.26Å; T168-E194 PolarHBondContact OG1-OE2 3.24Å; T168-I195 HydrophobicContact CG2-CD1 4.21Å; T168-L307 HydrophobicContact CG2-CB 4.06Å; T168-L307 HydrophobicContact CG2-CD2 3.98Å
169C98.6Very high98.2Very high13 Ų1320.2 Ų20.29%0.0889%0.093CC..EExtended strand (participates in β ladder)trans-130.9129.1175.3-171.50000110.3L163 E194 I195L163-C169 CarbonylContact O-C 3.47Å; L163-C169 VanDerWaalsContact O-CA 3.27Å; L163-C169 WeakPolarHBondContact O-CA 3.38Å; C169-E194 PolarHBondContact O-N 3.44Å; C169-I195 PolarHBondContact O-N 3.05Å
170I98.9Very high98.1Very high3 Ų321.9 Ų21.92%0.01510%0.103CC..EExtended strand (participates in β ladder)trans-121.1129.9-172.9-45.2174.2000109.6Y40 L163 T165 T168 I195 T197 L307Y40-I170 HydrophobicContact CD2-CD1 3.66Å; Y40-I170 HydrophobicContact CE2-CD1 3.86Å; Y40-I170 HydrophobicContact CE2-CG2 3.94Å; L163-I170 HydrophobicContact CB-CB 4.38Å; L163-I170 PolarHBondContact N-O 2.72Å; L163-I170 PolarHBondContact O-N 2.78Å; T165-I170 HydrophobicContact CG2-CD1 4.45Å; T168-I170 HydrophobicContact CG2-CD1 4.43Å; T168-I170 HydrophobicContact CG2-CG1 4.11Å; I170-I195 CarbonylContact C-O 3.51Å; I170-I195 VanDerWaalsContact CA-O 3.31Å; I170-I195 WeakPolarHBondContact CA-O 3.46Å; I170-I195 HydrophobicContact CG1-CB 4.3Å; I170-I195 HydrophobicContact CG1-CD1 4.45Å; I170-I195 HydrophobicContact CG2-CB 4.23Å; I170-I195 HydrophobicContact CG2-CG2 4.28Å; I170-T197 HydrophobicContact CG2-CG2 4.16Å; I170-L307 HydrophobicContact CD1-CD1 4.05Å; I170-L307 HydrophobicContact CD1-CD2 3.97Å
171G98.7Very high97.9Very high1 Ų127.6 Ų27.61%0.0114%0.14CC..EExtended strand (participates in β ladder)trans-123.7155.5177.100000112V193 I195 I196 T197G171-V193 VanDerWaalsContact N-CG1 3.31Å; G171-I195 PolarHBondContact N-O 3.12Å; G171-I196 CarbonylContact O-C 3.59Å; G171-I196 WeakPolarHBondContact O-CA 3.22Å; G171-T197 PolarHBondContact O-N 3.33Å; G171-T197 PolarHBondContact O-OG1 3.37Å
172S98.5Very high97.7Very high4 Ų435.7 Ų35.73%0.02818%0.177CC..EExtended strand (participates in β ladder)trans-114.5132.1179.2-61.20000112.3R112 M188 T197R112-S172 PolarHBondContact NH2-O 2.64Å; S172-M188 VanDerWaalsContact O-CE 3.25Å; S172-M188 WeakPolarHBondContact O-CE 3.13Å; S172-T197 PolarHBondContact OG-OG1 2.9Å
173E98.5Very high97.6Very high1 Ų135.9 Ų35.91%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-115.2146.6166.9-164.7168.782.300107.3E177 L178 P184 H185 I196 T197 N198 Y227E173-E177 WeakPolarHBondContact CA-OE2 3.48Å; E173-E177 HydrophobicContact CG-CB 3.47Å; E173-E177 VanDerWaalsContact CG-CB 3.47Å; E173-L178 WeakPolarHBondContact OE1-CA 3.46Å; E173-L178 VanDerWaalsContact OE1-CB 3.28Å; E173-L178 WeakPolarHBondContact OE1-CB 3.27Å; E173-L178 PolarHBondContact OE1-N 2.87Å; E173-P184 HydrophobicContact CG-CB 4.33Å; E173-P184 HydrophobicContact CG-CG 4.15Å; E173-P184 WeakPolarHBondContact OE2-CD 3.41Å; E173-H185 IonicContact OE1-ND1 2.93Å; E173-H185 WeakPolarHBondContact OE2-CB 3.49Å; E173-H185 IonicContact OE2-CG 3.33Å; E173-H185 PolarHBondContact OE2-N 2.77Å; E173-H185 IonicContact OE2-ND1 3.68Å; E173-H185 PolarHBondContact OE2-ND1 2.76Å; E173-I196 HydrophobicContact CB-CG2 4.17Å; E173-T197 PolarHBondContact N-O 3.04Å; E173-N198 VanDerWaalsContact O-CA 3.25Å; E173-N198 WeakPolarHBondContact O-CA 3.43Å; E173-Y227 PolarHBondContact OE1-OH 2.75Å
174I98.7Very high97.6Very high0 Ų036.3 Ų36.30%018%0.181CC..EExtended strand (participates in β ladder)trans-123.3112.2-176.9-47.9177000110.3E45 R100 K114 E176 E177E45-I174 HydrophobicContact CG-CG2 4.14Å; E45-I174 WeakPolarHBondContact OE1-CG2 3.16Å; R100-I174 HydrophobicContact CG-CD1 3.65Å; R100-I174 HydrophobicContact CG-CG1 3.88Å; K114-I174 HydrophobicContact CB-CB 4.47Å; K114-I174 HydrophobicContact CB-CD1 3.87Å; K114-I174 HydrophobicContact CD-CB 4.09Å; K114-I174 HydrophobicContact CD-CG2 3.75Å; K114-I174 WeakPolarHBondContact CE-O 3.48Å; K114-I174 HydrophobicContact CG-CB 3.98Å; K114-I174 HydrophobicContact CG-CD1 4.32Å; K114-I174 HydrophobicContact CG-CG2 4.17Å; I174-E176 PolarHBondContact O-N 3.49Å; I174-E176 VanDerWaalsContact O-N 3.11Å; I174-E177 PolarHBondContact N-OE2 3.49Å; I174-E177 WeakPolarHBondContact O-CB 3.33Å; I174-E177 WeakPolarHBondContact O-CG 3.41Å; I174-E177 PolarHBondContact O-N 3.21Å; I174-E177 VanDerWaalsContact O-N 3.07Å
175C97.6Very high97.6Very high6 Ų635.9 Ų35.94%0.04118%0.176CC..G310 helixtrans45.2-111.7176.2-162.10000113.2E45 E177 L178 N198 A199E45-C175 WeakPolarHBondContact OE2-CB 3.43Å; C175-E177 PolarHBondContact O-N 3.25Å; C175-E177 VanDerWaalsContact O-N 3.1Å; C175-L178 WeakPolarHBondContact O-CB 3.3Å; C175-L178 PolarHBondContact O-N 3.44Å; C175-L178 VanDerWaalsContact O-N 3.12Å; C175-N198 WeakPolarHBondContact CA-OD1 3.39Å; C175-N198 PolarHBondContact N-OD1 3.35Å; C175-N198 PolarHBondContact O-ND2 3.22Å; C175-A199 PolarHBondContact N-O 3.08Å
176E97.4Very high97.5Very high43 Ų4337.1 Ų37.120%0.20118%0.181CC..G310 helixtrans-57-21.8-177.5173.3144.1-132.900114.7A118 I174 L178 W179 T180A118-E176 WeakPolarHBondContact CA-OE2 3.41Å; A118-E176 WeakPolarHBondContact CB-OE2 3.2Å; I174-E176 PolarHBondContact O-N 3.49Å; I174-E176 VanDerWaalsContact O-N 3.11Å; E176-L178 PolarHBondContact O-N 2.86Å; E176-W179 VanDerWaalsContact CA-CZ2 3.42Å; E176-W179 HydrophobicContact CB-CH2 4.33Å; E176-W179 HydrophobicContact CB-CZ2 3.61Å; E176-W179 HydrophobicContact CG-CZ2 4.06Å; E176-W179 VanDerWaalsContact CG-NE1 3.31Å; E176-W179 PolarHBondContact O-N 3.06Å; E176-W179 PolarHBondContact OE1-NE1 2.89Å; E176-T180 HydrophobicContact CG-CG2 4.4Å; E176-T180 WeakPolarHBondContact O-CG2 3.21Å; E176-T180 PolarHBondContact O-N 3.05Å
177E98.4Very high97.5Very high1 Ų131.5 Ų31.51%0.00517%0.165CC..G310 helixtrans-49.5-30.2171.9-72.9-179.1-178.600112.4R112 K114 M115 A116 E173 I174 C175 W179 T180 S183 P184R112-E177 IonicContact CZ-OE1 3.8Å; R112-E177 IonicContact CZ-OE2 2.63Å; R112-E177 IonicContact NH1-OE1 2.74Å; R112-E177 PolarHBondContact NH1-OE1 3.32Å; R112-E177 IonicContact NH1-OE2 3.51Å; R112-E177 PolarHBondContact NH1-OE2 2.71Å; R112-E177 IonicContact NH2-OE1 2.74Å; R112-E177 IonicContact NH2-OE2 2.66Å; R112-E177 PolarHBondContact NH2-OE2 2.78Å; K114-E177 WeakPolarHBondContact CA-OE1 3.32Å; M115-E177 PolarHBondContact N-OE1 3.34Å; A116-E177 HydrophobicContact CB-CG 3.97Å; E173-E177 WeakPolarHBondContact CA-OE2 3.48Å; E173-E177 HydrophobicContact CG-CB 3.47Å; E173-E177 VanDerWaalsContact CG-CB 3.47Å; I174-E177 PolarHBondContact N-OE2 3.49Å; I174-E177 WeakPolarHBondContact O-CB 3.33Å; I174-E177 WeakPolarHBondContact O-CG 3.41Å; I174-E177 PolarHBondContact O-N 3.21Å; I174-E177 VanDerWaalsContact O-N 3.07Å; C175-E177 PolarHBondContact O-N 3.25Å; C175-E177 VanDerWaalsContact O-N 3.1Å; E177-W179 PolarHBondContact O-N 2.84Å; E177-T180 PolarHBondContact O-N 2.93Å; E177-T180 PolarHBondContact O-OG1 3.12Å; E177-S183 WeakPolarHBondContact O-CA 3.26Å; E177-S183 WeakPolarHBondContact O-CB 3.05Å; E177-S183 PolarHBondContact O-OG 3.08Å; E177-S183 VanDerWaalsContact O-OG 3.04Å; E177-P184 HydrophobicContact CB-CG 4.11Å; E177-P184 HydrophobicContact CG-CG 4.4Å
178L98.2Very high97.6Very high6 Ų630.8 Ų30.83%0.03116%0.161CC..G310 helixtrans-56-42.7175.9173.458.2000114.7E173 C175 E176 S183 L215 V216 A219 Y227E173-L178 WeakPolarHBondContact OE1-CA 3.46Å; E173-L178 VanDerWaalsContact OE1-CB 3.28Å; E173-L178 WeakPolarHBondContact OE1-CB 3.27Å; E173-L178 PolarHBondContact OE1-N 2.87Å; C175-L178 WeakPolarHBondContact O-CB 3.3Å; C175-L178 PolarHBondContact O-N 3.44Å; C175-L178 VanDerWaalsContact O-N 3.12Å; E176-L178 PolarHBondContact O-N 2.86Å; L178-S183 PolarHBondContact O-OG 2.77Å; L178-L215 HydrophobicContact CD2-CB 4.03Å; L178-L215 HydrophobicContact CG-CB 4.28Å; L178-V216 HydrophobicContact CD2-CG2 3.85Å; L178-A219 HydrophobicContact CD1-CB 4.26Å; L178-Y227 HydrophobicContact CD1-CE2 4.38Å
179W96.3Very high97.6Very high88 Ų8830.2 Ų30.233%0.33316%0.158SC..G310 helixtrans-108.920.4-176.256.880.1000113.1E176 E177 L215E176-W179 VanDerWaalsContact CA-CZ2 3.42Å; E176-W179 HydrophobicContact CB-CH2 4.33Å; E176-W179 HydrophobicContact CB-CZ2 3.61Å; E176-W179 HydrophobicContact CG-CZ2 4.06Å; E176-W179 VanDerWaalsContact CG-NE1 3.31Å; E176-W179 PolarHBondContact O-N 3.06Å; E176-W179 PolarHBondContact OE1-NE1 2.89Å; E177-W179 PolarHBondContact O-N 2.84Å; W179-L215 HydrophobicContact CB-CD1 3.97Å; W179-L215 HydrophobicContact CB-CD2 4.36Å; W179-L215 HydrophobicContact CD2-CD1 4.39Å; W179-L215 HydrophobicContact CE3-CD1 3.94Å; W179-L215 HydrophobicContact CG-CD1 4.46Å
180T95.9Very high97.5Very high34 Ų3431.3 Ų31.321%0.20916%0.162CC..SBendtrans-76.7153.4168.960.10000111.2A116 E176 E177 H182 S183A116-T180 HydrophobicContact CB-CG2 3.56Å; E176-T180 HydrophobicContact CG-CG2 4.4Å; E176-T180 WeakPolarHBondContact O-CG2 3.21Å; E176-T180 PolarHBondContact O-N 3.05Å; E177-T180 PolarHBondContact O-N 2.93Å; E177-T180 PolarHBondContact O-OG1 3.12Å; T180-H182 PolarHBondContact O-N 3.31Å; T180-H182 VanDerWaalsContact O-N 3.11Å; T180-S183 PolarHBondContact O-N 2.93Å; T180-S183 PolarHBondContact O-OG 2.98Å
181P94.4Very high97.5Very high120 Ų12032.2 Ų32.278%0.77917%0.167SC*.THydrogen-bonded Turntrans-58.3-29.9-174.7-28.636.3000115.3
182H95.1Very high97.4Very high172 Ų17233.7 Ų33.780%0.79618%0.182SC*.THydrogen-bonded Turntrans-124.757.3178.2-63.6-62000109.9T180T180-H182 PolarHBondContact O-N 3.31Å; T180-H182 VanDerWaalsContact O-N 3.11Å
183S97.5Very high97.4Very high6 Ų633.5 Ų33.54%0.04218%0.181CC..  trans-52.8139.9-177.5-49.90000112.5E177 L178 T180 H185 I186E177-S183 WeakPolarHBondContact O-CA 3.26Å; E177-S183 WeakPolarHBondContact O-CB 3.05Å; E177-S183 PolarHBondContact O-OG 3.08Å; E177-S183 VanDerWaalsContact O-OG 3.04Å; L178-S183 PolarHBondContact O-OG 2.77Å; T180-S183 PolarHBondContact O-N 2.93Å; T180-S183 PolarHBondContact O-OG 2.98Å; S183-H185 WeakPolarHBondContact CB-CE1 3.32Å; S183-H185 WeakPolarHBondContact CB-ND1 3.33Å; S183-H185 PolarHBondContact O-N 3.37Å; S183-H185 VanDerWaalsContact O-N 3.13Å; S183-I186 PolarHBondContact O-N 3.43Å; S183-I186 VanDerWaalsContact O-N 3.11Å
184P98.1Very high97.4Very high10 Ų1034.5 Ų34.57%0.06519%0.185CC..Hα-helixtrans-51.4-36.1178.9-28.935.2000114.4E173 E177 I186 D187 M188 Y298E173-P184 HydrophobicContact CG-CB 4.33Å; E173-P184 HydrophobicContact CG-CG 4.15Å; E173-P184 WeakPolarHBondContact OE2-CD 3.41Å; E177-P184 HydrophobicContact CB-CG 4.11Å; E177-P184 HydrophobicContact CG-CG 4.4Å; P184-I186 PolarHBondContact O-N 2.91Å; P184-D187 PolarHBondContact O-N 3.03Å; P184-M188 HydrophobicContact CB-CE 4.04Å; P184-M188 HydrophobicContact CB-SD 4.29Å; P184-M188 WeakPolarHBondContact O-CB 3.48Å; P184-M188 VanDerWaalsContact O-CG 3.27Å; P184-M188 WeakPolarHBondContact O-CG 3.39Å; P184-M188 PolarHBondContact O-N 3.06Å; P184-Y298 PolarHBondContact O-OH 2.85Å
185H98.2Very high97.4Very high16 Ų1634.5 Ų34.57%0.07419%0.186CC..Hα-helixtrans-58-25.5-178.569.9-105.1000114.3E173 S183 G189 I196 N223E173-H185 IonicContact OE1-ND1 2.93Å; E173-H185 WeakPolarHBondContact OE2-CB 3.49Å; E173-H185 IonicContact OE2-CG 3.33Å; E173-H185 PolarHBondContact OE2-N 2.77Å; E173-H185 IonicContact OE2-ND1 3.68Å; E173-H185 PolarHBondContact OE2-ND1 2.76Å; S183-H185 WeakPolarHBondContact CB-CE1 3.32Å; S183-H185 WeakPolarHBondContact CB-ND1 3.33Å; S183-H185 PolarHBondContact O-N 3.37Å; S183-H185 VanDerWaalsContact O-N 3.13Å; H185-G189 PolarHBondContact O-N 3.22Å; H185-I196 HydrophobicContact CB-CD1 3.53Å; H185-I196 HydrophobicContact CB-CG2 4.4Å; H185-N223 PolarHBondContact CD2-ND2 3.04Å; H185-N223 VanDerWaalsContact CD2-ND2 3.28Å
186I97.4Very high97.5Very high44 Ų4434.7 Ų34.723%0.22619%0.186CC..Hα-helixtrans-65.3-58.4179.5-58.9172000109.2S183 P184 G189 L190S183-I186 PolarHBondContact O-N 3.43Å; S183-I186 VanDerWaalsContact O-N 3.11Å; P184-I186 PolarHBondContact O-N 2.91Å; I186-G189 PolarHBondContact O-N 3.21Å; I186-L190 HydrophobicContact CG2-CD1 4.5Å; I186-L190 WeakPolarHBondContact O-CG 3.33Å; I186-L190 PolarHBondContact O-N 3.4Å
187D97.6Very high97.5Very high66 Ų6632.7 Ų32.735%0.35318%0.177SC..Hα-helixtrans-71.8-33.9-177.9-72.8-19.9000111.6R136 P184 G189 L190 D191 Y298R136-D187 IonicContact CZ-OD2 3.68Å; R136-D187 IonicContact NH2-OD2 2.78Å; R136-D187 PolarHBondContact NH2-OD2 3.02Å; P184-D187 PolarHBondContact O-N 3.03Å; D187-G189 VanDerWaalsContact C-N 3.34Å; D187-L190 PolarHBondContact O-N 3.25Å; D187-D191 PolarHBondContact O-N 3.37Å; D187-Y298 HydrophobicContact CB-CE2 3.84Å
188M98.4Very high97.6Very high0 Ų032.7 Ų32.70%018%0.177CC..Hα-helixtrans-59.1-46.4172.3-73.5-176.5177.500110.9V162 S172 P184 L190 D191 G192 V193 I196 Y298V162-M188 HydrophobicContact CG1-CE 4.39Å; V162-M188 HydrophobicContact CG1-CG 4.48Å; S172-M188 VanDerWaalsContact O-CE 3.25Å; S172-M188 WeakPolarHBondContact O-CE 3.13Å; P184-M188 HydrophobicContact CB-CE 4.04Å; P184-M188 HydrophobicContact CB-SD 4.29Å; P184-M188 WeakPolarHBondContact O-CB 3.48Å; P184-M188 VanDerWaalsContact O-CG 3.27Å; P184-M188 WeakPolarHBondContact O-CG 3.39Å; P184-M188 PolarHBondContact O-N 3.06Å; M188-L190 VanDerWaalsContact C-N 3.3Å; M188-L190 PolarHBondContact O-N 3.33Å; M188-D191 PolarHBondContact O-N 3.13Å; M188-G192 PolarHBondContact O-N 3.1Å; M188-V193 HydrophobicContact CB-CB 3.88Å; M188-V193 HydrophobicContact CB-CG1 4.33Å; M188-V193 HydrophobicContact CB-CG2 3.74Å; M188-V193 HydrophobicContact CG-CG2 4.18Å; M188-V193 VanDerWaalsContact O-CB 3.24Å; M188-V193 WeakPolarHBondContact O-CB 3.35Å; M188-V193 VanDerWaalsContact O-CG2 3.32Å; M188-V193 WeakPolarHBondContact O-CG2 3.49Å; M188-V193 PolarHBondContact O-N 3.24Å; M188-I196 HydrophobicContact CB-CD1 4.36Å; M188-Y298 HydrophobicContact CB-CE2 4.41Å; M188-Y298 HydrophobicContact CE-CE1 3.96Å; M188-Y298 HydrophobicContact CG-CE1 4.13Å; M188-Y298 HydrophobicContact CG-CE2 3.82Å; M188-Y298 WeakPolarHBondContact CG-OH 3.15Å
189G97.5Very high97.6Very high1 Ų132.4 Ų32.41%0.0118%0.176CC..Hα-helixtrans-63.3-35.2176.600000113.1H185 I186 D187 G192 R288H185-G189 PolarHBondContact O-N 3.22Å; I186-G189 PolarHBondContact O-N 3.21Å; D187-G189 VanDerWaalsContact C-N 3.34Å; G189-G192 PolarHBondContact O-N 3.2Å; G189-R288 PolarHBondContact O-NH1 2.95Å
190L97.3Very high97.7Very high35 Ų3528.3 Ų28.318%0.18316%0.16CC..Hα-helixtrans-70.3-37.6174.5-67.5176000112.7I186 D187 M188 G192 R288 A291 A292 A295I186-L190 HydrophobicContact CG2-CD1 4.5Å; I186-L190 WeakPolarHBondContact O-CG 3.33Å; I186-L190 PolarHBondContact O-N 3.4Å; D187-L190 PolarHBondContact O-N 3.25Å; M188-L190 VanDerWaalsContact C-N 3.3Å; M188-L190 PolarHBondContact O-N 3.33Å; L190-G192 PolarHBondContact O-N 3.43Å; L190-R288 HydrophobicContact CD2-CG 4.5Å; L190-A291 HydrophobicContact CD2-CB 3.79Å; L190-A292 HydrophobicContact CD2-CB 4.18Å; L190-A292 VanDerWaalsContact O-CB 3.31Å; L190-A292 WeakPolarHBondContact O-CB 3.35Å; L190-A295 HydrophobicContact CB-CB 3.76Å; L190-A295 HydrophobicContact CD1-CB 4.49Å
191D97.3Very high97.7Very high23 Ų2326.7 Ų26.712%0.12315%0.15CC..THydrogen-bonded Turntrans-75.4-3175.4-165.153.6000113.4D187 M188 P297 Y298 R300D187-D191 PolarHBondContact O-N 3.37Å; M188-D191 PolarHBondContact O-N 3.13Å; D191-P297 VanDerWaalsContact OD1-CA 3.31Å; D191-P297 WeakPolarHBondContact OD1-CA 3.42Å; D191-Y298 HydrophobicContact CB-CD2 3.88Å; D191-Y298 PolarHBondContact OD2-N 2.64Å; D191-R300 VanDerWaalsContact CG-NH2 3.34Å; D191-R300 PolarHBondContact O-NH2 3.28Å; D191-R300 IonicContact OD1-NH2 2.92Å; D191-R300 PolarHBondContact OD1-NH2 2.81Å; D191-R300 IonicContact OD2-CZ 3Å; D191-R300 IonicContact OD2-NE 3.98Å; D191-R300 IonicContact OD2-NH2 3.43Å; D191-R300 PolarHBondContact OD2-NH2 2.95Å
192G96.8Very high97.8Very high31 Ų3121 Ų2132%0.3211%0.113SC..THydrogen-bonded Turntrans90.817.8175.200000114.8M188 G189 L190 E194M188-G192 PolarHBondContact O-N 3.1Å; G189-G192 PolarHBondContact O-N 3.2Å; L190-G192 PolarHBondContact O-N 3.43Å; G192-E194 PolarHBondContact O-N 3.16Å
193V98.5Very high98Very high0 Ų013.3 Ų13.30%08%0.078CC..  trans-60.7125.3168.6177.80000109.1V162 G171 M188 I195 I196 R282V162-V193 HydrophobicContact CB-CG2 4.22Å; V162-V193 HydrophobicContact CG1-CG2 3.68Å; G171-V193 VanDerWaalsContact N-CG1 3.31Å; M188-V193 HydrophobicContact CB-CB 3.88Å; M188-V193 HydrophobicContact CB-CG1 4.33Å; M188-V193 HydrophobicContact CB-CG2 3.74Å; M188-V193 HydrophobicContact CG-CG2 4.18Å; M188-V193 VanDerWaalsContact O-CB 3.24Å; M188-V193 WeakPolarHBondContact O-CB 3.35Å; M188-V193 VanDerWaalsContact O-CG2 3.32Å; M188-V193 WeakPolarHBondContact O-CG2 3.49Å; M188-V193 PolarHBondContact O-N 3.24Å; V193-I195 WeakPolarHBondContact CG1-O 3.31Å; V193-I196 HydrophobicContact CG1-CG1 3.98Å; V193-R282 PolarHBondContact O-NH1 3.06Å; V193-R282 PolarHBondContact O-NH2 3.33Å
194E98.7Very high98Very high22 Ų2213 Ų1310%0.1038%0.076CC..  trans-96.2-29.4-174.6-65175.6148.900112T168 C169 G192 G225 I226 L275 V278 R279T168-E194 WeakPolarHBondContact CA-OE2 3.21Å; T168-E194 WeakPolarHBondContact CB-OE2 3.26Å; T168-E194 PolarHBondContact OG1-OE2 3.24Å; C169-E194 PolarHBondContact O-N 3.44Å; G192-E194 PolarHBondContact O-N 3.16Å; E194-G225 WeakPolarHBondContact O-CA 3.48Å; E194-I226 PolarHBondContact O-N 3Å; E194-L275 HydrophobicContact CB-CD2 4.4Å; E194-V278 HydrophobicContact CB-CG1 4.38Å; E194-V278 HydrophobicContact CG-CG1 4.38Å; E194-R279 WeakPolarHBondContact OE1-CG 3.33Å; E194-R279 IonicContact OE1-CZ 2.76Å; E194-R279 IonicContact OE1-NE 3.24Å; E194-R279 PolarHBondContact OE1-NE 2.9Å; E194-R279 IonicContact OE1-NH2 3.64Å; E194-R279 PolarHBondContact OE1-NH2 3.46Å; E194-R279 VanDerWaalsContact OE1-NH2 3.1Å; E194-R279 IonicContact OE2-CZ 3.29Å; E194-R279 IonicContact OE2-NH2 2.83Å; E194-R279 PolarHBondContact OE2-NH2 3.49Å
195I98.9Very high98.1Very high1 Ų112.8 Ų12.81%0.0057%0.074CC..EExtended strand (participates in β ladder)trans-122.4125.9179.9-51.4180000109.2V5 V7 T168 C169 I170 G171 V193 I226 L228 L275 L307V5-I195 HydrophobicContact CG2-CD1 4.35Å; V7-I195 HydrophobicContact CG1-CD1 4.36Å; T168-I195 HydrophobicContact CG2-CD1 4.21Å; C169-I195 PolarHBondContact O-N 3.05Å; I170-I195 CarbonylContact C-O 3.51Å; I170-I195 VanDerWaalsContact CA-O 3.31Å; I170-I195 WeakPolarHBondContact CA-O 3.46Å; I170-I195 HydrophobicContact CG1-CB 4.3Å; I170-I195 HydrophobicContact CG1-CD1 4.45Å; I170-I195 HydrophobicContact CG2-CB 4.23Å; I170-I195 HydrophobicContact CG2-CG2 4.28Å; G171-I195 PolarHBondContact N-O 3.12Å; V193-I195 WeakPolarHBondContact CG1-O 3.31Å; I195-I226 CarbonylContact C-O 3.25Å; I195-I226 WeakPolarHBondContact CA-O 3.39Å; I195-I226 HydrophobicContact CG1-CB 4.27Å; I195-I226 HydrophobicContact CG1-CD1 4.21Å; I195-I226 HydrophobicContact CG2-CB 4.46Å; I195-I226 HydrophobicContact CG2-CG2 4.35Å; I195-L228 HydrophobicContact CG2-CD1 3.84Å; I195-L275 HydrophobicContact CD1-CD2 4.31Å; I195-L275 HydrophobicContact CG1-CD2 4.35Å; I195-L307 HydrophobicContact CD1-CD2 3.6Å
196I98.9Very high98Very high10 Ų1012.5 Ų12.55%0.0517%0.073CC..EExtended strand (participates in β ladder)trans-115.7129.2176.9-59.1176.9000108.7G171 E173 H185 M188 V193 I226 Y227 L228G171-I196 CarbonylContact O-C 3.59Å; G171-I196 WeakPolarHBondContact O-CA 3.22Å; E173-I196 HydrophobicContact CB-CG2 4.17Å; H185-I196 HydrophobicContact CB-CD1 3.53Å; H185-I196 HydrophobicContact CB-CG2 4.4Å; M188-I196 HydrophobicContact CB-CD1 4.36Å; V193-I196 HydrophobicContact CG1-CG1 3.98Å; I196-I226 PolarHBondContact N-O 3.49Å; I196-Y227 HydrophobicContact CB-CD2 3.87Å; I196-Y227 HydrophobicContact CB-CE2 4.16Å; I196-Y227 HydrophobicContact CG2-CD2 3.88Å; I196-Y227 HydrophobicContact CG2-CE2 3.62Å; I196-Y227 WeakPolarHBondContact O-CA 3.45Å; I196-L228 PolarHBondContact O-N 2.82Å
197T98.9Very high98Very high1 Ų115.1 Ų15.11%0.0068%0.08CC..EExtended strand (participates in β ladder)trans-107.5132.4179.364.60000110.1Y40 L42 D85 I170 G171 S172 E173 L228Y40-T197 HydrophobicContact CD1-CG2 4.38Å; Y40-T197 HydrophobicContact CE1-CG2 3.51Å; L42-T197 HydrophobicContact CD1-CG2 4.46Å; L42-T197 HydrophobicContact CD2-CG2 4.39Å; D85-T197 PolarHBondContact OD2-OG1 2.86Å; D85-T197 VanDerWaalsContact OD2-OG1 3.14Å; I170-T197 HydrophobicContact CG2-CG2 4.16Å; G171-T197 PolarHBondContact O-N 3.33Å; G171-T197 PolarHBondContact O-OG1 3.37Å; S172-T197 PolarHBondContact OG-OG1 2.9Å; E173-T197 PolarHBondContact N-O 3.04Å; T197-L228 CarbonylContact C-O 3.38Å; T197-L228 HydrophobicContact CG2-CB 4.44Å
198N98.9Very high97.8Very high0 Ų015.2 Ų15.20%08%0.077CC..EExtended strand (participates in β ladder)trans-123.7106.3175.9-171-58000111.5E173 C175 S200 Y227 L228 L229 A230E173-N198 VanDerWaalsContact O-CA 3.25Å; E173-N198 WeakPolarHBondContact O-CA 3.43Å; C175-N198 WeakPolarHBondContact CA-OD1 3.39Å; C175-N198 PolarHBondContact N-OD1 3.35Å; C175-N198 PolarHBondContact O-ND2 3.22Å; N198-S200 PolarHBondContact OD1-OG 3.27Å; N198-Y227 HydrophobicContact CB-CE1 3.5Å; N198-Y227 VanDerWaalsContact CB-CE1 3.5Å; N198-Y227 WeakPolarHBondContact CB-OH 3.49Å; N198-Y227 PolarHBondContact ND2-OH 3.01Å; N198-L228 PolarHBondContact N-O 2.91Å; N198-L229 CarbonylContact O-C 3.59Å; N198-L229 VanDerWaalsContact O-CA 3.31Å; N198-L229 WeakPolarHBondContact O-CA 3.37Å; N198-A230 PolarHBondContact O-N 3.24Å
199A98.8Very high97.5Very high1 Ų115.4 Ų15.41%0.0088%0.079CC..EExtended strand (participates in β ladder)trans-89122.1171.700000109.7L42 G43 C175L42-A199 HydrophobicContact CD1-CB 4.23Å; G43-A199 VanDerWaalsContact O-CB 3.27Å; G43-A199 WeakPolarHBondContact O-CB 3.31Å; C175-A199 PolarHBondContact N-O 3.08Å
200S98.6Very high97.4Very high1 Ų118.2 Ų18.21%0.0079%0.094CC..EExtended strand (participates in β ladder)trans-117.8150.9-176.8-74.40000113.1E45 N198 A230 N231 Q232E45-S200 PolarHBondContact N-O 3.28Å; E45-S200 VanDerWaalsContact N-O 3.16Å; N198-S200 PolarHBondContact OD1-OG 3.27Å; S200-A230 WeakPolarHBondContact CB-O 3.17Å; S200-A230 PolarHBondContact N-O 2.88Å; S200-N231 WeakPolarHBondContact O-CA 3.25Å; S200-N231 PolarHBondContact O-OD1 3.33Å; S200-N231 VanDerWaalsContact O-OD1 3.04Å; S200-Q232 PolarHBondContact O-N 3.22Å
201G96.7Very high97.3Very high0 Ų019.6 Ų19.60%010%0.104CC..  trans-121.756.2162.800000110.3E45 Y123 Y242E45-G201 PolarHBondContact OE2-N 3.49Å; Y123-G201 PolarHBondContact OH-O 3.15Å; G201-Y242 WeakPolarHBondContact O-CE1 3.48Å
202S96.7Very high97.3Very high1 Ų119.2 Ų19.21%0.00710%0.1CC..PPolyproline II helixtrans-93.7118.3-172.1-160.90000112.2Y123 R212 N231Y123-S202 WeakPolarHBondContact OH-CA 3.06Å; S202-R212 VanDerWaalsContact CB-NH2 3.28Å; S202-R212 PolarHBondContact OG-NH2 2.94Å; S202-N231 PolarHBondContact N-OD1 3.39Å; S202-N231 PolarHBondContact O-ND2 3.05Å
203H98.3Very high97.3Very high10 Ų1018 Ų185%0.0469%0.087CC..BIsolated β-bridgetrans-77.8155.8176.863.9-90.4000113.6N122 Y123 L240 Y241 Y242 H658N122-H203 PolarHBondContact ND2-NE2 2.93Å; Y123-H203 AromaticContact CE1-ND1 3.76Å; Y123-H203 AromaticContact CE2-CE1 3.38Å; Y123-H203 WeakPolarHBondContact CE2-CE1 3.45Å; Y123-H203 AromaticContact CE2-ND1 3.74Å; Y123-H203 AromaticContact CZ-CE1 3.39Å; Y123-H203 AromaticContact CZ-ND1 3.21Å; Y123-H203 PolarHBondContact OH-CE1 2.91Å; Y123-H203 PolarHBondContact OH-N 3.42Å; Y123-H203 PolarHBondContact OH-ND1 2.9Å; H203-L240 HydrophobicContact CB-CB 4.02Å; H203-L240 HydrophobicContact CB-CD1 4.3Å; H203-L240 HydrophobicContact CB-CD2 4.39Å; H203-L240 HydrophobicContact CB-CG 4.47Å; H203-Y241 CarbonylContact C-O 3.46Å; H203-Y241 WeakPolarHBondContact CA-O 3.41Å; H203-Y242 HydrophobicContact CB-CD1 4.39Å; H203-H658 AromaticContact CD2-CD2 3.6Å; H203-H658 AromaticContact NE2-CD2 3.77Å; H203-H658 AromaticContact NE2-NE2 3.89Å
204H98.5Very high97.3Very high1 Ų121.4 Ų21.41%0.00511%0.105CC..PPolyproline II helixtrans-56.8132.5173.9178.6-111.9000111.2Y241 D243 F261 E331 Y657H204-Y241 HydrophobicContact CB-CD1 4.36Å; H204-Y241 WeakPolarHBondContact CB-O 3.37Å; H204-Y241 PolarHBondContact N-O 3.46Å; H204-D243 HydrophobicContact CB-CB 3.95Å; H204-D243 IonicContact CD2-OD2 3.71Å; H204-F261 AromaticContact CD2-CE1 3.83Å; H204-F261 AromaticContact CD2-CZ 3.58Å; H204-F261 AromaticContact NE2-CZ 3.69Å; H204-E331 IonicContact NE2-OE2 3.8Å; H204-Y657 PolarHBondContact CE1-OH 3.34Å; H204-Y657 VanDerWaalsContact CG-OH 3.28Å; H204-Y657 AromaticContact ND1-CE1 3.62Å; H204-Y657 AromaticContact ND1-CZ 3.52Å; H204-Y657 PolarHBondContact ND1-OH 3.31Å
205V98.3Very high97.3Very high5 Ų522.5 Ų22.53%0.0311%0.112CC..  trans-133.8127.2163.1174.10000106.1R207 K208 A659 N661V205-R207 PolarHBondContact O-N 3.26Å; V205-K208 HydrophobicContact CB-CB 3.74Å; V205-K208 HydrophobicContact CB-CD 3.8Å; V205-K208 HydrophobicContact CB-CG 4.35Å; V205-K208 HydrophobicContact CG1-CB 3.96Å; V205-K208 HydrophobicContact CG1-CD 4.29Å; V205-K208 HydrophobicContact CG2-CD 4.06Å; V205-K208 VanDerWaalsContact O-CB 3.29Å; V205-K208 WeakPolarHBondContact O-CB 3.13Å; V205-K208 PolarHBondContact O-N 3.27Å; V205-A659 WeakPolarHBondContact CA-O 3.44Å; V205-N661 HydrophobicContact CG1-CB 4.22Å; V205-N661 VanDerWaalsContact CG1-CG 3.46Å; V205-N661 WeakPolarHBondContact CG1-ND2 3.32Å
206L97.8Very high97.3Very high10 Ų1022.5 Ų22.55%0.05211%0.111CC..THydrogen-bonded Turntrans-55.1127.5-176.5-167.168.1000109.7K208 E331 I332 A659L206-K208 VanDerWaalsContact C-N 3.31Å; L206-K208 PolarHBondContact O-N 2.95Å; L206-E331 HydrophobicContact CD1-CB 3.72Å; L206-E331 WeakPolarHBondContact CD1-OE2 3.32Å; L206-I332 HydrophobicContact CD1-CD1 4.45Å; L206-I332 HydrophobicContact CD1-CG1 3.8Å; L206-I332 HydrophobicContact CD2-CD1 4.23Å; L206-I332 HydrophobicContact CD2-CG1 4.28Å; L206-A659 HydrophobicContact CB-CB 4.3Å; L206-A659 PolarHBondContact N-O 3.35Å
207R97.5Very high97.2Very high99 Ų9923.6 Ų23.637%0.37412%0.119SC..THydrogen-bonded Turntrans67.313.9-178.7-54.1157.5177.8113.6-1.8116.1V205 N210 P328 E331 D546 E660V205-R207 PolarHBondContact O-N 3.26Å; R207-N210 PolarHBondContact O-OD1 3.45Å; R207-P328 HydrophobicContact CG-CB 4.38Å; R207-P328 HydrophobicContact CG-CG 4.14Å; R207-E331 PolarHBondContact N-OE2 3.05Å; R207-D546 IonicContact CZ-OD1 3.09Å; R207-D546 IonicContact CZ-OD2 3.73Å; R207-D546 IonicContact NH1-OD1 3.41Å; R207-D546 IonicContact NH1-OD2 2.75Å; R207-D546 PolarHBondContact NH1-OD2 3.02Å; R207-D546 IonicContact NH2-OD1 3.56Å; R207-D546 PolarHBondContact NH2-OD1 2.8Å; R207-D546 IonicContact NH2-OD2 2.75Å; R207-D546 PolarHBondContact NH2-OD2 2.99Å; R207-E660 IonicContact NH1-OE1 2.7Å
208K93.4Very high97.2Very high67 Ų6729 Ų2929%0.29115%0.145SC..  trans-92.5-16.5-179.1-166.6-164.9165.8-167.80113.8V205 L206 N210 T211V205-K208 HydrophobicContact CB-CB 3.74Å; V205-K208 HydrophobicContact CB-CD 3.8Å; V205-K208 HydrophobicContact CB-CG 4.35Å; V205-K208 HydrophobicContact CG1-CB 3.96Å; V205-K208 HydrophobicContact CG1-CD 4.29Å; V205-K208 HydrophobicContact CG2-CD 4.06Å; V205-K208 VanDerWaalsContact O-CB 3.29Å; V205-K208 WeakPolarHBondContact O-CB 3.13Å; V205-K208 PolarHBondContact O-N 3.27Å; L206-K208 VanDerWaalsContact C-N 3.31Å; L206-K208 PolarHBondContact O-N 2.95Å; K208-N210 VanDerWaalsContact C-N 3.27Å; K208-N210 PolarHBondContact O-N 3.45Å; K208-N210 VanDerWaalsContact O-N 3.14Å; K208-T211 WeakPolarHBondContact O-CB 3.49Å; K208-T211 PolarHBondContact O-N 3.06Å
209A92.1Very high97.1Very high4 Ų429.4 Ų29.43%0.03315%0.149CC..Hα-helixtrans-53.3-41.4-169.200000113.6T211 R212 V213A209-T211 VanDerWaalsContact C-N 3.28Å; A209-T211 PolarHBondContact O-N 3.27Å; A209-R212 WeakPolarHBondContact O-CB 3.37Å; A209-R212 PolarHBondContact O-N 3.23Å; A209-R212 VanDerWaalsContact O-N 3.12Å; A209-V213 PolarHBondContact O-N 2.85Å
210N94.9Very high97.1Very high61 Ų6129.5 Ų29.533%0.32615%0.149SC..Hα-helixtrans-57.5-37.9178.270.2-49.4000113.2R207 K208 R212 V213 D214 Y325R207-N210 PolarHBondContact O-OD1 3.45Å; K208-N210 VanDerWaalsContact C-N 3.27Å; K208-N210 PolarHBondContact O-N 3.45Å; K208-N210 VanDerWaalsContact O-N 3.14Å; N210-R212 PolarHBondContact O-N 2.75Å; N210-V213 PolarHBondContact O-N 3.12Å; N210-V213 VanDerWaalsContact O-N 3.14Å; N210-D214 WeakPolarHBondContact O-CB 3.38Å; N210-D214 PolarHBondContact O-N 2.78Å; N210-Y325 VanDerWaalsContact CA-CE1 3.42Å; N210-Y325 HydrophobicContact CB-CD1 4.36Å; N210-Y325 HydrophobicContact CB-CE1 3.63Å
211T95.5Very high97Very high64 Ų6432.1 Ų32.139%0.39317%0.167SC..Hα-helixtrans-60.4-36.6-179.9-55.60000111.3K208 A209 L215K208-T211 WeakPolarHBondContact O-CB 3.49Å; K208-T211 PolarHBondContact O-N 3.06Å; A209-T211 VanDerWaalsContact C-N 3.28Å; A209-T211 PolarHBondContact O-N 3.27Å; T211-L215 HydrophobicContact CG2-CD1 4.22Å; T211-L215 WeakPolarHBondContact O-CB 3.3Å; T211-L215 WeakPolarHBondContact O-CD1 3.47Å; T211-L215 WeakPolarHBondContact O-CG 3.46Å; T211-L215 PolarHBondContact O-N 3.12Å
212R96.3Very high97Very high14 Ų1438.5 Ų38.55%0.05320%0.195CC..Hα-helixtrans-68.7-44.8178-167.4-174.6-62.2147.66.2111S202 A209 N210 L215 V216 L229 N231 D243 G244S202-R212 VanDerWaalsContact CB-NH2 3.28Å; S202-R212 PolarHBondContact OG-NH2 2.94Å; A209-R212 WeakPolarHBondContact O-CB 3.37Å; A209-R212 PolarHBondContact O-N 3.23Å; A209-R212 VanDerWaalsContact O-N 3.12Å; N210-R212 PolarHBondContact O-N 2.75Å; R212-L215 PolarHBondContact O-N 3.02Å; R212-V216 PolarHBondContact O-N 3.49Å; R212-L229 HydrophobicContact CG-CD1 4.13Å; R212-N231 PolarHBondContact NH1-ND2 2.93Å; R212-D243 IonicContact CZ-OD1 3.73Å; R212-D243 VanDerWaalsContact CZ-OD1 3.29Å; R212-D243 IonicContact NH1-OD1 3.25Å; R212-D243 PolarHBondContact NH1-OD1 2.83Å; R212-D243 IonicContact NH1-OD2 3.45Å; R212-D243 IonicContact NH2-OD1 2.79Å; R212-D243 PolarHBondContact NH2-OD1 2.88Å; R212-D243 IonicContact NH2-OD2 3.58Å; R212-G244 PolarHBondContact NH1-O 3.16Å
213V97.8Very high96.9Very high6 Ų639.1 Ų39.14%0.03620%0.198CC..Hα-helixtrans-61.7-46.6176.7-177.70000110.4A209 N210 L215 V216 T217 M247 V254 W323 Y325A209-V213 PolarHBondContact O-N 2.85Å; N210-V213 PolarHBondContact O-N 3.12Å; N210-V213 VanDerWaalsContact O-N 3.14Å; V213-L215 PolarHBondContact O-N 2.66Å; V213-V216 PolarHBondContact O-N 3.18Å; V213-T217 VanDerWaalsContact O-CB 3.26Å; V213-T217 WeakPolarHBondContact O-CB 3.3Å; V213-T217 PolarHBondContact O-N 3.49Å; V213-T217 PolarHBondContact O-OG1 2.98Å; V213-M247 HydrophobicContact CB-CE 4.21Å; V213-M247 HydrophobicContact CG2-CE 3.63Å; V213-V254 HydrophobicContact CG1-CG2 4.43Å; V213-W323 HydrophobicContact CG1-CB 4.39Å; V213-W323 HydrophobicContact CG1-CD2 4.08Å; V213-W323 HydrophobicContact CG1-CE3 4.08Å; V213-W323 HydrophobicContact CG1-CG 4.22Å; V213-W323 HydrophobicContact CG2-CD2 3.6Å; V213-W323 VanDerWaalsContact CG2-CE2 3.47Å; V213-W323 HydrophobicContact CG2-CE3 3.93Å; V213-W323 HydrophobicContact CG2-CG 4.15Å; V213-W323 HydrophobicContact CG2-CH2 4.01Å; V213-W323 HydrophobicContact CG2-CZ2 3.68Å; V213-W323 HydrophobicContact CG2-CZ3 4.14Å; V213-Y325 WeakPolarHBondContact CB-OH 3.44Å; V213-Y325 HydrophobicContact CG2-CE1 4.12Å
214D98.3Very high96.8Very high71 Ų7138.8 Ų38.838%0.3820%0.198SC..Hα-helixtrans-61.6-43.4-179.7-66.6-24.4000111.1N210 T217 M218N210-D214 WeakPolarHBondContact O-CB 3.38Å; N210-D214 PolarHBondContact O-N 2.78Å; D214-T217 PolarHBondContact O-N 3.23Å; D214-M218 HydrophobicContact CB-CE 4.12Å; D214-M218 VanDerWaalsContact O-CB 3.28Å; D214-M218 WeakPolarHBondContact O-CB 3.35Å; D214-M218 WeakPolarHBondContact O-CE 3.29Å; D214-M218 VanDerWaalsContact O-CG 3.25Å; D214-M218 WeakPolarHBondContact O-CG 3.39Å; D214-M218 PolarHBondContact O-N 2.74Å
215L98.2Very high96.8Very high46 Ų4638.9 Ų38.924%0.24120%0.199CC..Hα-helixtrans-60.9-46.7177.8-76.8168.2000112.4L178 W179 T211 R212 V213 A219L178-L215 HydrophobicContact CD2-CB 4.03Å; L178-L215 HydrophobicContact CG-CB 4.28Å; W179-L215 HydrophobicContact CB-CD1 3.97Å; W179-L215 HydrophobicContact CB-CD2 4.36Å; W179-L215 HydrophobicContact CD2-CD1 4.39Å; W179-L215 HydrophobicContact CE3-CD1 3.94Å; W179-L215 HydrophobicContact CG-CD1 4.46Å; T211-L215 HydrophobicContact CG2-CD1 4.22Å; T211-L215 WeakPolarHBondContact O-CB 3.3Å; T211-L215 WeakPolarHBondContact O-CD1 3.47Å; T211-L215 WeakPolarHBondContact O-CG 3.46Å; T211-L215 PolarHBondContact O-N 3.12Å; R212-L215 PolarHBondContact O-N 3.02Å; V213-L215 PolarHBondContact O-N 2.66Å; L215-A219 VanDerWaalsContact O-CB 3.22Å; L215-A219 WeakPolarHBondContact O-CB 3.45Å; L215-A219 PolarHBondContact O-N 3.37Å
216V98.4Very high96.9Very high0 Ų038.7 Ų38.70%020%0.198CC..Hα-helixtrans-66.7-43178.2172.90000111.1L178 R212 V213 A219 T220 Y227 L229 M247 A249L178-V216 HydrophobicContact CD2-CG2 3.85Å; R212-V216 PolarHBondContact O-N 3.49Å; V213-V216 PolarHBondContact O-N 3.18Å; V216-A219 PolarHBondContact O-N 2.97Å; V216-T220 WeakPolarHBondContact O-CG2 3.36Å; V216-T220 PolarHBondContact O-N 3.01Å; V216-T220 PolarHBondContact O-OG1 3.18Å; V216-T220 VanDerWaalsContact O-OG1 3.08Å; V216-Y227 HydrophobicContact CB-CD1 4.48Å; V216-Y227 HydrophobicContact CG1-CD1 3.63Å; V216-Y227 HydrophobicContact CG1-CE1 4.24Å; V216-Y227 HydrophobicContact CG1-CG 3.97Å; V216-Y227 HydrophobicContact CG2-CD1 4.13Å; V216-Y227 HydrophobicContact CG2-CE1 3.9Å; V216-L229 HydrophobicContact CG2-CD1 3.84Å; V216-M247 HydrophobicContact CB-SD 3.77Å; V216-M247 HydrophobicContact CG1-SD 3.81Å; V216-M247 HydrophobicContact CG2-SD 3.89Å; V216-A249 HydrophobicContact CG1-CB 3.69Å
217T98.2Very high96.9Very high33 Ų3338.4 Ų38.420%0.20220%0.196CC..Hα-helixtrans-62.4-46.8179-57.60000110.7V213 D214 T220 S221 G252V213-T217 VanDerWaalsContact O-CB 3.26Å; V213-T217 WeakPolarHBondContact O-CB 3.3Å; V213-T217 PolarHBondContact O-N 3.49Å; V213-T217 PolarHBondContact O-OG1 2.98Å; D214-T217 PolarHBondContact O-N 3.23Å; T217-T220 PolarHBondContact O-N 3.17Å; T217-T220 PolarHBondContact O-OG1 3.2Å; T217-T220 VanDerWaalsContact O-OG1 3.05Å; T217-S221 VanDerWaalsContact O-CB 3.26Å; T217-S221 WeakPolarHBondContact O-CB 3.36Å; T217-S221 PolarHBondContact O-N 3.44Å; T217-G252 WeakPolarHBondContact CG2-O 3.38Å
218M98.1Very high97Very high114 Ų11433.7 Ų33.756%0.56218%0.178SC*.Hα-helixtrans-67.8-37.8176.8-71.4-174.4-67.300112.5D214 T220 S221 K222D214-M218 HydrophobicContact CB-CE 4.12Å; D214-M218 VanDerWaalsContact O-CB 3.28Å; D214-M218 WeakPolarHBondContact O-CB 3.35Å; D214-M218 WeakPolarHBondContact O-CE 3.29Å; D214-M218 VanDerWaalsContact O-CG 3.25Å; D214-M218 WeakPolarHBondContact O-CG 3.39Å; D214-M218 PolarHBondContact O-N 2.74Å; M218-T220 VanDerWaalsContact C-N 3.35Å; M218-T220 PolarHBondContact O-N 2.88Å; M218-S221 PolarHBondContact O-N 3.07Å; M218-K222 WeakPolarHBondContact O-CB 3.29Å; M218-K222 PolarHBondContact O-N 3.46Å
219A97.8Very high97.2Very high9 Ų930.5 Ų30.57%0.07417%0.165CC..Hα-helixtrans-62-43.1177.700000111.7L178 L215 V216 N223L178-A219 HydrophobicContact CD1-CB 4.26Å; L215-A219 VanDerWaalsContact O-CB 3.22Å; L215-A219 WeakPolarHBondContact O-CB 3.45Å; L215-A219 PolarHBondContact O-N 3.37Å; V216-A219 PolarHBondContact O-N 2.97Å; A219-N223 PolarHBondContact O-N 2.76Å; A219-N223 PolarHBondContact O-ND2 3.23Å
220T97.8Very high97.6Very high4 Ų430.3 Ų30.33%0.02516%0.163CC..Hα-helixtrans-75.3-36.3177.256.80000112.9V216 T217 M218 G224 Y227 A249 G252V216-T220 WeakPolarHBondContact O-CG2 3.36Å; V216-T220 PolarHBondContact O-N 3.01Å; V216-T220 PolarHBondContact O-OG1 3.18Å; V216-T220 VanDerWaalsContact O-OG1 3.08Å; T217-T220 PolarHBondContact O-N 3.17Å; T217-T220 PolarHBondContact O-OG1 3.2Å; T217-T220 VanDerWaalsContact O-OG1 3.05Å; M218-T220 VanDerWaalsContact C-N 3.35Å; M218-T220 PolarHBondContact O-N 2.88Å; T220-G224 WeakPolarHBondContact O-CA 3.31Å; T220-G224 PolarHBondContact O-N 3.38Å; T220-Y227 HydrophobicContact CG2-CD2 4.38Å; T220-Y227 HydrophobicContact CG2-CG 4.18Å; T220-A249 HydrophobicContact CG2-CB 4.32Å; T220-G252 PolarHBondContact OG1-N 3.36Å
221S97.6Very high97.8Very high55 Ų5527.4 Ų27.439%0.38515%0.148SC..Hα-helixtrans-63.4-45.2173.6177.90000111.5T217 M218 Y281T217-S221 VanDerWaalsContact O-CB 3.26Å; T217-S221 WeakPolarHBondContact O-CB 3.36Å; T217-S221 PolarHBondContact O-N 3.44Å; M218-S221 PolarHBondContact O-N 3.07Å; S221-Y281 PolarHBondContact O-OH 2.81Å
222K95.8Very high97.9Very high135 Ų13524.4 Ų24.459%0.58713%0.129SC*.Hα-helixtrans-70.5-38.9-176179.7172.4170.1-76.50113.4M218M218-K222 WeakPolarHBondContact O-CB 3.29Å; M218-K222 PolarHBondContact O-N 3.46Å
223N95Very high98Very high13 Ų1323.7 Ų23.77%0.0713%0.126CC..Hα-helixtrans-109.3-12.1-171.4-52.7-64.5000113.5H185 A219 R282H185-N223 PolarHBondContact CD2-ND2 3.04Å; H185-N223 VanDerWaalsContact CD2-ND2 3.28Å; A219-N223 PolarHBondContact O-N 2.76Å; A219-N223 PolarHBondContact O-ND2 3.23Å; N223-R282 PolarHBondContact O-NE 3.08Å
224G96.7Very high98.1Very high3 Ų323.4 Ų23.43%0.03113%0.125CC..  trans65.3161.9-165.200000112.2T220 N251 R282T220-G224 WeakPolarHBondContact O-CA 3.31Å; T220-G224 PolarHBondContact O-N 3.38Å; G224-N251 WeakPolarHBondContact CA-OD1 3.43Å; G224-R282 PolarHBondContact O-NE 2.88Å; G224-R282 PolarHBondContact O-NH2 2.96Å
225G98.2Very high98.1Very high4 Ų420.2 Ų20.24%0.04111%0.108CC..SBendtrans116.6168.5177.900000113.4E194 M250 N251E194-G225 WeakPolarHBondContact O-CA 3.48Å; G225-M250 WeakPolarHBondContact O-CA 3.46Å; G225-N251 PolarHBondContact N-OD1 2.83Å; G225-N251 PolarHBondContact O-N 2.86Å
226I98.9Very high98.1Very high1 Ų118 Ų181%0.00510%0.096CC..EExtended strand (participates in β ladder)trans-91.5137.5176-60.9165.8000108.2V5 E194 I195 I196 L228 I248 A249 M250 L273 L275 V278V5-I226 HydrophobicContact CG2-CD1 4.33Å; E194-I226 PolarHBondContact O-N 3Å; I195-I226 CarbonylContact C-O 3.25Å; I195-I226 WeakPolarHBondContact CA-O 3.39Å; I195-I226 HydrophobicContact CG1-CB 4.27Å; I195-I226 HydrophobicContact CG1-CD1 4.21Å; I195-I226 HydrophobicContact CG2-CB 4.46Å; I195-I226 HydrophobicContact CG2-CG2 4.35Å; I196-I226 PolarHBondContact N-O 3.49Å; I226-L228 HydrophobicContact CG2-CD1 3.62Å; I226-I248 HydrophobicContact CG2-CG2 4.41Å; I226-A249 CarbonylContact C-O 3.6Å; I226-A249 WeakPolarHBondContact CA-O 3.3Å; I226-M250 HydrophobicContact CD1-SD 4.12Å; I226-M250 HydrophobicContact CG1-CB 4.13Å; I226-M250 HydrophobicContact CG1-CG 3.74Å; I226-M250 HydrophobicContact CG1-SD 3.59Å; I226-M250 VanDerWaalsContact CG1-SD 3.59Å; I226-L273 HydrophobicContact CB-CD1 4.44Å; I226-L273 HydrophobicContact CD1-CB 3.9Å; I226-L273 HydrophobicContact CD1-CD1 3.86Å; I226-L273 HydrophobicContact CG1-CD1 3.86Å; I226-L273 HydrophobicContact CG2-CD1 3.72Å; I226-L275 HydrophobicContact CD1-CD2 3.99Å; I226-V278 HydrophobicContact CD1-CG2 4.31Å; I226-V278 HydrophobicContact CG1-CG2 3.88Å
227Y98.9Very high98.1Very high3 Ų320.4 Ų20.41%0.01212%0.121CC..EExtended strand (participates in β ladder)trans-130.2121.2179.2-160.4-72.7000110E173 L178 I196 N198 V216 T220 L229 I248 A249E173-Y227 PolarHBondContact OE1-OH 2.75Å; L178-Y227 HydrophobicContact CD1-CE2 4.38Å; I196-Y227 HydrophobicContact CB-CD2 3.87Å; I196-Y227 HydrophobicContact CB-CE2 4.16Å; I196-Y227 HydrophobicContact CG2-CD2 3.88Å; I196-Y227 HydrophobicContact CG2-CE2 3.62Å; I196-Y227 WeakPolarHBondContact O-CA 3.45Å; N198-Y227 HydrophobicContact CB-CE1 3.5Å; N198-Y227 VanDerWaalsContact CB-CE1 3.5Å; N198-Y227 WeakPolarHBondContact CB-OH 3.49Å; N198-Y227 PolarHBondContact ND2-OH 3.01Å; V216-Y227 HydrophobicContact CB-CD1 4.48Å; V216-Y227 HydrophobicContact CG1-CD1 3.63Å; V216-Y227 HydrophobicContact CG1-CE1 4.24Å; V216-Y227 HydrophobicContact CG1-CG 3.97Å; V216-Y227 HydrophobicContact CG2-CD1 4.13Å; V216-Y227 HydrophobicContact CG2-CE1 3.9Å; T220-Y227 HydrophobicContact CG2-CD2 4.38Å; T220-Y227 HydrophobicContact CG2-CG 4.18Å; Y227-L229 HydrophobicContact CE1-CB 4.41Å; Y227-I248 WeakPolarHBondContact O-CA 3.25Å; Y227-A249 PolarHBondContact N-O 3.47Å; Y227-A249 PolarHBondContact O-N 2.66Å
228L98.9Very high98.1Very high0 Ų019.9 Ų19.90%012%0.117CC..EExtended strand (participates in β ladder)trans-103.6131.4174.7-7868.6000108.5V7 A8 Y40 L42 I195 I196 T197 N198 I226 I248V7-L228 HydrophobicContact CB-CD1 4.48Å; V7-L228 HydrophobicContact CB-CD2 3.96Å; V7-L228 HydrophobicContact CG2-CD1 3.89Å; V7-L228 HydrophobicContact CG2-CD2 4.02Å; V7-L228 HydrophobicContact CG2-CG 4.25Å; A8-L228 WeakPolarHBondContact O-CD2 3.46Å; Y40-L228 HydrophobicContact CD1-CD2 4.44Å; L42-L228 HydrophobicContact CB-CD2 4.25Å; L42-L228 HydrophobicContact CD2-CB 3.63Å; L42-L228 WeakPolarHBondContact CD2-O 3.41Å; I195-L228 HydrophobicContact CG2-CD1 3.84Å; I196-L228 PolarHBondContact O-N 2.82Å; T197-L228 CarbonylContact C-O 3.38Å; T197-L228 HydrophobicContact CG2-CB 4.44Å; N198-L228 PolarHBondContact N-O 2.91Å; I226-L228 HydrophobicContact CG2-CD1 3.62Å; L228-I248 HydrophobicContact CG-CG1 4.45Å
229L98.9Very high98.1Very high1 Ų115.6 Ų15.61%0.0059%0.094CC..EExtended strand (participates in β ladder)trans-120.2125.1169.9-171.4150.6000109.3T9 N198 R212 V216 Y227 N231 A246 M247T9-L229 WeakPolarHBondContact CG2-O 3.47Å; T9-L229 PolarHBondContact OG1-O 3.15Å; N198-L229 CarbonylContact O-C 3.59Å; N198-L229 VanDerWaalsContact O-CA 3.31Å; N198-L229 WeakPolarHBondContact O-CA 3.37Å; R212-L229 HydrophobicContact CG-CD1 4.13Å; V216-L229 HydrophobicContact CG2-CD1 3.84Å; Y227-L229 HydrophobicContact CE1-CB 4.41Å; L229-N231 HydrophobicContact CD2-CB 4.22Å; L229-A246 CarbonylContact O-C 3.6Å; L229-A246 WeakPolarHBondContact O-CA 3.34Å; L229-A246 WeakPolarHBondContact O-CB 3.41Å; L229-M247 HydrophobicContact CB-CG 3.81Å; L229-M247 PolarHBondContact N-O 2.92Å; L229-M247 PolarHBondContact O-N 3.01Å
230A98.9Very high98.2Very high0 Ų015.3 Ų15.30%09%0.091CC..EExtended strand (participates in β ladder)trans-109.9146.716900000108.9T9 C10 L42 G43 P44 N198 S200T9-A230 VanDerWaalsContact OG1-CA 3.29Å; T9-A230 WeakPolarHBondContact OG1-CA 3.32Å; T9-A230 VanDerWaalsContact OG1-CB 3.3Å; T9-A230 WeakPolarHBondContact OG1-CB 3.48Å; T9-A230 PolarHBondContact OG1-N 2.91Å; C10-A230 WeakPolarHBondContact O-CA 3.45Å; C10-A230 VanDerWaalsContact O-CB 3.29Å; C10-A230 WeakPolarHBondContact O-CB 3.37Å; L42-A230 HydrophobicContact CD2-CB 3.92Å; L42-A230 HydrophobicContact CG-CB 3.7Å; G43-A230 VanDerWaalsContact C-CB 3.49Å; P44-A230 HydrophobicContact CG-CB 4.45Å; N198-A230 PolarHBondContact O-N 3.24Å; S200-A230 WeakPolarHBondContact CB-O 3.17Å; S200-A230 PolarHBondContact N-O 2.88Å
231N98.8Very high98.2Very high0 Ų015.2 Ų15.20%09%0.091CC..EExtended strand (participates in β ladder)trans-147.1151177.5-168.727.2000111.2C10 A11 P44 S200 S202 R212 L229 G244C10-N231 PolarHBondContact O-N 2.77Å; A11-N231 WeakPolarHBondContact CA-O 3.47Å; A11-N231 WeakPolarHBondContact CB-O 3.39Å; P44-N231 WeakPolarHBondContact CG-O 3.29Å; S200-N231 WeakPolarHBondContact O-CA 3.25Å; S200-N231 PolarHBondContact O-OD1 3.33Å; S200-N231 VanDerWaalsContact O-OD1 3.04Å; S202-N231 PolarHBondContact N-OD1 3.39Å; S202-N231 PolarHBondContact O-ND2 3.05Å; R212-N231 PolarHBondContact NH1-ND2 2.93Å; L229-N231 HydrophobicContact CD2-CB 4.22Å; N231-G244 WeakPolarHBondContact CB-O 3.49Å; N231-G244 PolarHBondContact ND2-N 3.1Å; N231-G244 PolarHBondContact ND2-O 2.97Å
232Q98.8Very high98.3Very high0 Ų012.6 Ų12.60%07%0.072CC..EExtended strand (participates in β ladder)trans-63.8148.7170.7-160.2169.4-80.400109.6L12 Q14 P44 S200 D236 Y242 G244L12-Q232 WeakPolarHBondContact O-CA 3.5Å; L12-Q232 WeakPolarHBondContact O-CG 3.49Å; Q14-Q232 HydrophobicContact CB-CG 4.38Å; P44-Q232 HydrophobicContact CB-CB 4.41Å; S200-Q232 PolarHBondContact O-N 3.22Å; Q232-D236 PolarHBondContact NE2-OD2 2.95Å; Q232-Y242 VanDerWaalsContact C-CB 3.5Å; Q232-Y242 HydrophobicContact CB-CD1 4.1Å; Q232-Y242 HydrophobicContact CB-CG 3.92Å; Q232-Y242 HydrophobicContact CG-CD2 4.44Å; Q232-Y242 HydrophobicContact CG-CG 4.23Å; Q232-Y242 VanDerWaalsContact NE2-CE2 3.3Å; Q232-Y242 CarbonylContact O-C 3.56Å; Q232-Y242 WeakPolarHBondContact O-CB 3.26Å; Q232-G244 WeakPolarHBondContact O-CA 3.33Å; Q232-G244 PolarHBondContact O-N 3.13Å
233K98.6Very high98.3Very high0 Ų06.2 Ų6.20%05%0.045CC..EExtended strand (participates in β ladder)trans-138.7115.2177-176.8-177.364.867.50111.6A11 L12 N13 Y242 S262 D264A11-K233 HydrophobicContact CB-CB 3.91Å; A11-K233 HydrophobicContact CB-CD 4.47Å; L12-K233 PolarHBondContact O-N 3.02Å; N13-K233 WeakPolarHBondContact CA-O 3.36Å; N13-K233 WeakPolarHBondContact CB-O 3.46Å; N13-K233 PolarHBondContact OD1-O 3.35Å; K233-Y242 CarbonylContact C-O 3.47Å; K233-Y242 WeakPolarHBondContact CA-O 3.44Å; K233-S262 WeakPolarHBondContact CE-OG 3.3Å; K233-S262 PolarHBondContact NZ-O 3.04Å; K233-S262 PolarHBondContact NZ-OG 3.45Å; K233-D264 PolarHBondContact NZ-O 2.72Å
234G98.7Very high98.2Very high0 Ų05.6 Ų5.60%04%0.041CC..EExtended strand (participates in β ladder)trans126-170.7-175.600000113.2N13 Y241 Y242 D342N13-G234 WeakPolarHBondContact OD1-CA 3.42Å; G234-Y241 VanDerWaalsContact CA-CE2 3.48Å; G234-Y242 PolarHBondContact N-O 3.23Å; G234-Y242 WeakPolarHBondContact O-CD2 3.17Å; G234-Y242 PolarHBondContact O-N 2.96Å; G234-D342 VanDerWaalsContact CA-OD2 3.23Å; G234-D342 WeakPolarHBondContact CA-OD2 3.45Å
235C98.8Very high98.3Very high3 Ų35.6 Ų5.62%0.024%0.041CC..  trans-102.4110.2177.1174.70000111.3G237 D238 D342 F343 R346C235-G237 VanDerWaalsContact C-N 3.28Å; C235-G237 PolarHBondContact O-N 3.41Å; C235-D238 PolarHBondContact SG-O 3.37Å; C235-D342 HydrophobicContact CB-CB 3.69Å; C235-D342 PolarHBondContact N-OD2 3.43Å; C235-F343 WeakPolarHBondContact SG-CE2 3.48Å; C235-R346 PolarHBondContact O-NH1 3.14Å
236D98.6Very high98.3Very high0 Ų05.4 Ų5.40%04%0.039CC..  trans-86.917.2-176.571.7-6.8000115.7Q14 W15 A16 G52 Q232 Y242Q14-D236 WeakPolarHBondContact O-CB 3.22Å; W15-D236 VanDerWaalsContact CD1-O 3.31Å; A16-D236 VanDerWaalsContact CB-O 3.29Å; A16-D236 WeakPolarHBondContact CB-O 3.39Å; A16-D236 PolarHBondContact N-O 3.32Å; G52-D236 VanDerWaalsContact CA-OD2 3.27Å; G52-D236 WeakPolarHBondContact CA-OD2 3.36Å; G52-D236 PolarHBondContact N-OD2 3.41Å; Q232-D236 PolarHBondContact NE2-OD2 2.95Å; D236-Y242 HydrophobicContact CB-CE2 4.28Å; D236-Y242 VanDerWaalsContact OD1-CE2 3.29Å; D236-Y242 WeakPolarHBondContact OD1-CE2 3.45Å; D236-Y242 WeakPolarHBondContact OD2-CE2 3.43Å; D236-Y242 PolarHBondContact OD2-OH 2.93Å
237G98.1Very high98.3Very high50 Ų505.4 Ų5.452%0.5154%0.039SC..SBendtrans119.88.2173.500000115.1C235C235-G237 VanDerWaalsContact C-N 3.28Å; C235-G237 PolarHBondContact O-N 3.41Å
238D98.3Very high98.3Very high22 Ų225.2 Ų5.212%0.1184%0.038CC..SBendtrans-136-161.9177.796.8-36.4000112.5W54 C235 L240 W339 F343W54-D238 WeakPolarHBondContact CZ2-OD2 3.41Å; C235-D238 PolarHBondContact SG-O 3.37Å; D238-L240 VanDerWaalsContact C-N 3.27Å; D238-L240 PolarHBondContact O-N 3.28Å; D238-L240 VanDerWaalsContact OD1-CB 3.27Å; D238-L240 WeakPolarHBondContact OD1-CB 3.28Å; D238-L240 PolarHBondContact OD1-N 3.04Å; D238-W339 PolarHBondContact O-NE1 2.94Å; D238-F343 VanDerWaalsContact O-CE2 3.25Å; D238-F343 WeakPolarHBondContact O-CE2 3.36Å; D238-F343 WeakPolarHBondContact O-CZ 3.25Å
239R98.6Very high98.3Very high25 Ų255.2 Ų5.29%0.0944%0.038CC..SBendtrans-79.2-7.4-177.476.2-177.565.8142.1-18.1115A656 H658 E665 N667R239-A656 WeakPolarHBondContact CB-O 3.48Å; R239-H658 PolarHBondContact O-N 3.23Å; R239-E665 IonicContact CZ-OE1 2.74Å; R239-E665 IonicContact CZ-OE2 3.6Å; R239-E665 IonicContact NH1-OE1 3.71Å; R239-E665 PolarHBondContact NH1-OE1 3.32Å; R239-E665 IonicContact NH1-OE2 3.54Å; R239-E665 PolarHBondContact NH1-OE2 3.3Å; R239-E665 IonicContact NH2-OE1 3.19Å; R239-E665 PolarHBondContact NH2-OE1 3.36Å; R239-N667 VanDerWaalsContact NH2-CB 3.34Å; R239-N667 PolarHBondContact NH2-ND2 3.41Å
240L98.8Very high98.3Very high2 Ų25.7 Ų5.71%0.014%0.04CC..  trans-85.1147.3-179.1-55.9179.8000109.1N122 H203 D238 Y242 H658N122-L240 HydrophobicContact CB-CD1 4.14Å; N122-L240 HydrophobicContact CB-CD2 4.23Å; H203-L240 HydrophobicContact CB-CB 4.02Å; H203-L240 HydrophobicContact CB-CD1 4.3Å; H203-L240 HydrophobicContact CB-CD2 4.39Å; H203-L240 HydrophobicContact CB-CG 4.47Å; D238-L240 VanDerWaalsContact C-N 3.27Å; D238-L240 PolarHBondContact O-N 3.28Å; D238-L240 VanDerWaalsContact OD1-CB 3.27Å; D238-L240 WeakPolarHBondContact OD1-CB 3.28Å; D238-L240 PolarHBondContact OD1-N 3.04Å; L240-Y242 HydrophobicContact CB-CE2 4.25Å; L240-H658 HydrophobicContact CD2-CB 3.67Å
241Y98.8Very high98.2Very high2 Ų26.8 Ų6.81%0.0085%0.046CC..  trans-116.8123.1165.1-178-86.8000107.1H203 H204 G234 F261 C338 W339 Y657H203-Y241 CarbonylContact C-O 3.46Å; H203-Y241 WeakPolarHBondContact CA-O 3.41Å; H204-Y241 HydrophobicContact CB-CD1 4.36Å; H204-Y241 WeakPolarHBondContact CB-O 3.37Å; H204-Y241 PolarHBondContact N-O 3.46Å; G234-Y241 VanDerWaalsContact CA-CE2 3.48Å; Y241-F261 HydrophobicContact CD1-CD1 4.05Å; Y241-F261 HydrophobicContact CD1-CE1 4.1Å; Y241-F261 AromaticContact CE1-CD1 3.4Å; Y241-F261 HydrophobicContact CE1-CD1 3.4Å; Y241-F261 VanDerWaalsContact CE1-CD1 3.4Å; Y241-F261 AromaticContact CE1-CE1 3.89Å; Y241-F261 HydrophobicContact CE1-CE1 3.89Å; Y241-C338 HydrophobicContact CD2-CB 4.49Å; Y241-C338 HydrophobicContact CE2-CB 3.47Å; Y241-C338 VanDerWaalsContact CE2-CB 3.47Å; Y241-C338 WeakPolarHBondContact OH-CB 3.39Å; Y241-W339 HydrophobicContact CD2-CB 3.79Å; Y241-W339 HydrophobicContact CD2-CG 4.48Å; Y241-W339 HydrophobicContact CG-CB 4.42Å; Y241-Y657 HydrophobicContact CG-CE2 4.08Å
242Y98.8Very high98.2Very high0 Ų07.8 Ų7.80%06%0.057CC..EExtended strand (participates in β ladder)trans-82.2128.5173.8-57.2-99.4000108.2Y51 G201 H203 Q232 K233 G234 D236 L240Y51-Y242 AromaticContact CD1-CE1 3.88Å; Y51-Y242 HydrophobicContact CD1-CE1 3.88Å; Y51-Y242 AromaticContact CD1-CZ 3.97Å; Y51-Y242 VanDerWaalsContact CD1-OH 3.31Å; Y51-Y242 WeakPolarHBondContact CD1-OH 3.42Å; Y51-Y242 HydrophobicContact CG-CE1 4.31Å; G201-Y242 WeakPolarHBondContact O-CE1 3.48Å; H203-Y242 HydrophobicContact CB-CD1 4.39Å; Q232-Y242 VanDerWaalsContact C-CB 3.5Å; Q232-Y242 HydrophobicContact CB-CD1 4.1Å; Q232-Y242 HydrophobicContact CB-CG 3.92Å; Q232-Y242 HydrophobicContact CG-CD2 4.44Å; Q232-Y242 HydrophobicContact CG-CG 4.23Å; Q232-Y242 VanDerWaalsContact NE2-CE2 3.3Å; Q232-Y242 CarbonylContact O-C 3.56Å; Q232-Y242 WeakPolarHBondContact O-CB 3.26Å; K233-Y242 CarbonylContact C-O 3.47Å; K233-Y242 WeakPolarHBondContact CA-O 3.44Å; G234-Y242 PolarHBondContact N-O 3.23Å; G234-Y242 WeakPolarHBondContact O-CD2 3.17Å; G234-Y242 PolarHBondContact O-N 2.96Å; D236-Y242 HydrophobicContact CB-CE2 4.28Å; D236-Y242 VanDerWaalsContact OD1-CE2 3.29Å; D236-Y242 WeakPolarHBondContact OD1-CE2 3.45Å; D236-Y242 WeakPolarHBondContact OD2-CE2 3.43Å; D236-Y242 PolarHBondContact OD2-OH 2.93Å; L240-Y242 HydrophobicContact CB-CE2 4.25Å
243D96.8Very high98.2Very high1 Ų110.2 Ų10.21%0.0057%0.074CC..EExtended strand (participates in β ladder)trans-99.515.1-166.466.7-7.1000113.6H204 R212 C245 Q260 F261H204-D243 HydrophobicContact CB-CB 3.95Å; H204-D243 IonicContact CD2-OD2 3.71Å; R212-D243 IonicContact CZ-OD1 3.73Å; R212-D243 VanDerWaalsContact CZ-OD1 3.29Å; R212-D243 IonicContact NH1-OD1 3.25Å; R212-D243 PolarHBondContact NH1-OD1 2.83Å; R212-D243 IonicContact NH1-OD2 3.45Å; R212-D243 IonicContact NH2-OD1 2.79Å; R212-D243 PolarHBondContact NH2-OD1 2.88Å; R212-D243 IonicContact NH2-OD2 3.58Å; D243-C245 PolarHBondContact O-N 2.9Å; D243-Q260 CarbonylContact C-O 3.29Å; D243-Q260 VanDerWaalsContact C-O 3.25Å; D243-Q260 WeakPolarHBondContact CA-O 3.29Å; D243-Q260 HydrophobicContact CB-CG 3.9Å; D243-Q260 CarbonylContact O-C 3.59Å; D243-Q260 WeakPolarHBondContact O-CA 3.18Å; D243-F261 HydrophobicContact CB-CE1 4.28Å
244G93.3Very high98.2Very high0 Ų010.7 Ų10.70%08%0.077CC..  trans55.9-113.3177.900000111.7R212 N231 Q232 A246R212-G244 PolarHBondContact NH1-O 3.16Å; N231-G244 WeakPolarHBondContact CB-O 3.49Å; N231-G244 PolarHBondContact ND2-N 3.1Å; N231-G244 PolarHBondContact ND2-O 2.97Å; Q232-G244 WeakPolarHBondContact O-CA 3.33Å; Q232-G244 PolarHBondContact O-N 3.13Å; G244-A246 PolarHBondContact O-N 3.16Å
245C97.1Very high98.2Very high4 Ų411.9 Ų11.93%0.0278%0.082CC..  trans55.542.3-167.7-58.30000111.7D243 S259 Q260 W323D243-C245 PolarHBondContact O-N 2.9Å; C245-S259 PolarHBondContact N-O 2.98Å; C245-S259 VanDerWaalsContact N-O 3.15Å; C245-Q260 VanDerWaalsContact SG-CG 3.59Å; C245-W323 HydrophobicContact CB-CH2 4Å; C245-W323 HydrophobicContact CB-CZ2 4Å
246A98.5Very high98.2Very high0 Ų012.3 Ų12.30%09%0.085CC..  trans-54.9144.5165.300000108.9T9 A11 L229 G244 G258 L269T9-A246 HydrophobicContact CG2-CB 4.21Å; A11-A246 HydrophobicContact CB-CB 4.35Å; L229-A246 CarbonylContact O-C 3.6Å; L229-A246 WeakPolarHBondContact O-CA 3.34Å; L229-A246 WeakPolarHBondContact O-CB 3.41Å; G244-A246 PolarHBondContact O-N 3.16Å; A246-G258 WeakPolarHBondContact O-CA 3.38Å; A246-G258 PolarHBondContact O-N 3.15Å; A246-L269 VanDerWaalsContact C-CD1 3.5Å; A246-L269 HydrophobicContact CB-CD1 3.92Å; A246-L269 WeakPolarHBondContact O-CD1 3.48Å
247M98.8Very high98.2Very high0 Ų015 Ų150%010%0.098CC..EExtended strand (participates in β ladder)trans-152.8157-176.762.717966.200112.2V213 V216 L229 A256 W323V213-M247 HydrophobicContact CB-CE 4.21Å; V213-M247 HydrophobicContact CG2-CE 3.63Å; V216-M247 HydrophobicContact CB-SD 3.77Å; V216-M247 HydrophobicContact CG1-SD 3.81Å; V216-M247 HydrophobicContact CG2-SD 3.89Å; L229-M247 HydrophobicContact CB-CG 3.81Å; L229-M247 PolarHBondContact N-O 2.92Å; L229-M247 PolarHBondContact O-N 3.01Å; M247-A256 VanDerWaalsContact CA-O 3.26Å; M247-A256 WeakPolarHBondContact CA-O 3.39Å; M247-A256 WeakPolarHBondContact CB-O 3.17Å; M247-W323 HydrophobicContact CB-CH2 4.37Å; M247-W323 HydrophobicContact CB-CZ3 3.89Å; M247-W323 HydrophobicContact CE-CE3 4.41Å; M247-W323 HydrophobicContact CE-CH2 3.51Å; M247-W323 HydrophobicContact CE-CZ2 4.35Å; M247-W323 HydrophobicContact CE-CZ3 3.56Å; M247-W323 HydrophobicContact SD-CZ3 4.48Å
248I98.9Very high98.2Very high0 Ų012.7 Ų12.70%07%0.074CC..EExtended strand (participates in β ladder)trans-122.9122.6168.9-53.7174.9000106.9V7 T9 I226 Y227 L228 F255 A256 L269 A271 L273V7-I248 HydrophobicContact CG2-CD1 4.49Å; T9-I248 HydrophobicContact CG2-CD1 4.26Å; T9-I248 HydrophobicContact CG2-CG1 3.74Å; I226-I248 HydrophobicContact CG2-CG2 4.41Å; Y227-I248 WeakPolarHBondContact O-CA 3.25Å; L228-I248 HydrophobicContact CG-CG1 4.45Å; I248-F255 PolarHBondContact O-N 3.49Å; I248-A256 HydrophobicContact CB-CB 4.1Å; I248-A256 HydrophobicContact CD1-CB 4.12Å; I248-A256 HydrophobicContact CG1-CB 4.11Å; I248-A256 PolarHBondContact N-O 3.35Å; I248-A256 VanDerWaalsContact N-O 3.13Å; I248-A256 PolarHBondContact O-N 3.41Å; I248-L269 HydrophobicContact CD1-CB 4.35Å; I248-A271 HydrophobicContact CB-CB 4.32Å; I248-A271 HydrophobicContact CD1-CB 3.69Å; I248-A271 HydrophobicContact CG2-CB 3.97Å; I248-L273 HydrophobicContact CG2-CD1 3.97Å
249A98.9Very high98.2Very high0 Ų013.6 Ų13.60%08%0.082CC..EExtended strand (participates in β ladder)trans-125.7152.117800000110.6V216 T220 I226 Y227 S253V216-A249 HydrophobicContact CG1-CB 3.69Å; T220-A249 HydrophobicContact CG2-CB 4.32Å; I226-A249 CarbonylContact C-O 3.6Å; I226-A249 WeakPolarHBondContact CA-O 3.3Å; Y227-A249 PolarHBondContact N-O 3.47Å; Y227-A249 PolarHBondContact O-N 2.66Å; A249-S253 CarbonylContact C-O 3.33Å; A249-S253 WeakPolarHBondContact CA-O 3.49Å; A249-S253 WeakPolarHBondContact CB-O 3.38Å
250M98.8Very high98.2Very high10 Ų1012.9 Ų12.95%0.0498%0.08CC..EExtended strand (participates in β ladder)trans-147.7132.2173.8-178178.773.400109.5G225 I226 G252 S253 F255 L273 D277 V278G225-M250 WeakPolarHBondContact O-CA 3.46Å; I226-M250 HydrophobicContact CD1-SD 4.12Å; I226-M250 HydrophobicContact CG1-CB 4.13Å; I226-M250 HydrophobicContact CG1-CG 3.74Å; I226-M250 HydrophobicContact CG1-SD 3.59Å; I226-M250 VanDerWaalsContact CG1-SD 3.59Å; M250-G252 PolarHBondContact O-N 2.91Å; M250-S253 PolarHBondContact N-O 2.91Å; M250-S253 PolarHBondContact O-N 3.25Å; M250-F255 HydrophobicContact CB-CD2 4.02Å; M250-F255 HydrophobicContact CB-CE2 3.55Å; M250-F255 HydrophobicContact CB-CZ 4.29Å; M250-F255 HydrophobicContact CE-CE1 4.4Å; M250-F255 HydrophobicContact CE-CE2 4.24Å; M250-F255 HydrophobicContact CE-CZ 3.78Å; M250-L273 HydrophobicContact CB-CD1 4.43Å; M250-L273 HydrophobicContact CE-CD2 4.14Å; M250-L273 HydrophobicContact SD-CB 4.13Å; M250-L273 HydrophobicContact SD-CD1 4.3Å; M250-L273 HydrophobicContact SD-CD2 4.41Å; M250-D277 HydrophobicContact CE-CB 3.92Å; M250-D277 HydrophobicContact SD-CB 4.43Å; M250-V278 HydrophobicContact CG-CG2 4.05Å; M250-V278 HydrophobicContact SD-CG2 3.89Å
251N98.4Very high98.2Very high24 Ų2413.4 Ų13.413%0.1288%0.082CC..THydrogen-bonded Turntrans50.134.6173-59.5-17.9000115.3G224 G225 D277 Y281G224-N251 WeakPolarHBondContact CA-OD1 3.43Å; G225-N251 PolarHBondContact N-OD1 2.83Å; G225-N251 PolarHBondContact O-N 2.86Å; N251-D277 PolarHBondContact ND2-O 3.24Å; N251-D277 VanDerWaalsContact ND2-O 3.12Å; N251-Y281 HydrophobicContact CB-CD1 3.97Å; N251-Y281 HydrophobicContact CB-CD2 3.84Å; N251-Y281 HydrophobicContact CB-CE1 4.04Å; N251-Y281 HydrophobicContact CB-CE2 3.91Å; N251-Y281 HydrophobicContact CB-CG 3.85Å; N251-Y281 VanDerWaalsContact CG-CG 3.5Å; N251-Y281 VanDerWaalsContact ND2-CB 3.32Å; N251-Y281 WeakPolarHBondContact ND2-CB 3.27Å
252G97.9Very high98.2Very high21 Ų2114 Ų1422%0.2169%0.086CC..THydrogen-bonded Turntrans90.85.8-179.900000115.8T217 T220 M250T217-G252 WeakPolarHBondContact CG2-O 3.38Å; T220-G252 PolarHBondContact OG1-N 3.36Å; M250-G252 PolarHBondContact O-N 2.91Å
253S98.7Very high98.2Very high51 Ų5114.3 Ų14.336%0.3579%0.088SC..EExtended strand (participates in β ladder)trans-120.6147.2176.9-65.90000111.3A249 M250 F255A249-S253 CarbonylContact C-O 3.33Å; A249-S253 WeakPolarHBondContact CA-O 3.49Å; A249-S253 WeakPolarHBondContact CB-O 3.38Å; M250-S253 PolarHBondContact N-O 2.91Å; M250-S253 PolarHBondContact O-N 3.25Å; S253-F255 WeakPolarHBondContact O-CD2 3.29Å; S253-F255 WeakPolarHBondContact O-CE2 3.2Å
254V98.8Very high98.3Very high10 Ų1016.8 Ų16.86%0.06110%0.102CC..EExtended strand (participates in β ladder)trans-92.1139.2173.3-179.20000109.4V213 A256 P320 I321 W323V213-V254 HydrophobicContact CG1-CG2 4.43Å; V254-A256 WeakPolarHBondContact CG1-O 3.19Å; V254-P320 CarbonylContact O-C 3.55Å; V254-P320 WeakPolarHBondContact O-CA 3.19Å; V254-I321 HydrophobicContact CB-CG1 4.25Å; V254-I321 HydrophobicContact CG1-CD1 4.17Å; V254-I321 HydrophobicContact CG1-CG1 3.95Å; V254-I321 WeakPolarHBondContact O-CG1 3.29Å; V254-I321 PolarHBondContact O-N 2.96Å; V254-W323 HydrophobicContact CG1-CE3 4.12Å; V254-W323 HydrophobicContact CG1-CZ3 4.4Å
255F98.8Very high98.5Very high25 Ų2518 Ų1811%0.1111%0.108CC..EExtended strand (participates in β ladder)trans-118.3-22.2-179.6-69.9-96.2000112.7I248 M250 S253 A271 L273 S318 P320I248-F255 PolarHBondContact O-N 3.49Å; M250-F255 HydrophobicContact CB-CD2 4.02Å; M250-F255 HydrophobicContact CB-CE2 3.55Å; M250-F255 HydrophobicContact CB-CZ 4.29Å; M250-F255 HydrophobicContact CE-CE1 4.4Å; M250-F255 HydrophobicContact CE-CE2 4.24Å; M250-F255 HydrophobicContact CE-CZ 3.78Å; S253-F255 WeakPolarHBondContact O-CD2 3.29Å; S253-F255 WeakPolarHBondContact O-CE2 3.2Å; F255-A271 HydrophobicContact CB-CB 4.29Å; F255-L273 HydrophobicContact CB-CD2 4.41Å; F255-L273 HydrophobicContact CD1-CD2 3.6Å; F255-L273 HydrophobicContact CD2-CD2 4.31Å; F255-L273 HydrophobicContact CE1-CD2 3.85Å; F255-L273 HydrophobicContact CG-CD2 3.84Å; F255-L273 HydrophobicContact CZ-CD2 4.34Å; F255-S318 VanDerWaalsContact CD1-O 3.26Å; F255-S318 WeakPolarHBondContact CD1-O 3.42Å; F255-S318 VanDerWaalsContact CE1-O 3.24Å; F255-S318 WeakPolarHBondContact CE1-O 3.38Å; F255-P320 HydrophobicContact CE1-CG 3.93Å; F255-P320 HydrophobicContact CZ-CG 3.99Å
256A98.8Very high98.6Very high11 Ų1119.3 Ų19.39%0.09112%0.116CC..EExtended strand (participates in β ladder)trans-146.8136.817300000110.6M247 I248 V254 L269M247-A256 VanDerWaalsContact CA-O 3.26Å; M247-A256 WeakPolarHBondContact CA-O 3.39Å; M247-A256 WeakPolarHBondContact CB-O 3.17Å; I248-A256 HydrophobicContact CB-CB 4.1Å; I248-A256 HydrophobicContact CD1-CB 4.12Å; I248-A256 HydrophobicContact CG1-CB 4.11Å; I248-A256 PolarHBondContact N-O 3.35Å; I248-A256 VanDerWaalsContact N-O 3.13Å; I248-A256 PolarHBondContact O-N 3.41Å; V254-A256 WeakPolarHBondContact CG1-O 3.19Å; A256-L269 HydrophobicContact CB-CB 4.04Å; A256-L269 HydrophobicContact CB-CD1 4.17Å
257Q98.6Very high98.6Very high57 Ų5720.8 Ų20.827%0.26612%0.123SC..EExtended strand (participates in β ladder)trans-120.8123.1176.3167.5174.82.800108.9I321 W323 K324Q257-I321 HydrophobicContact CB-CD1 3.87Å; Q257-W323 HydrophobicContact CB-CD2 4.48Å; Q257-W323 HydrophobicContact CB-CE3 3.83Å; Q257-W323 HydrophobicContact CB-CH2 4.18Å; Q257-W323 HydrophobicContact CB-CZ3 3.64Å; Q257-W323 HydrophobicContact CG-CD2 4.01Å; Q257-W323 HydrophobicContact CG-CE3 3.78Å; Q257-W323 HydrophobicContact CG-CH2 3.6Å; Q257-W323 HydrophobicContact CG-CZ2 3.84Å; Q257-W323 HydrophobicContact CG-CZ3 3.55Å; Q257-K324 PolarHBondContact NE2-O 2.86Å
258G98.6Very high98.6Very high2 Ų221.1 Ų21.12%0.02113%0.125CC..  trans-86.9163.217100000112.3A246 L269A246-G258 WeakPolarHBondContact O-CA 3.38Å; A246-G258 PolarHBondContact O-N 3.15Å; G258-L269 VanDerWaalsContact N-CD1 3.31Å
259S98.5Very high98.6Very high40 Ų4022.1 Ų22.128%0.2813%0.13SC..  trans-65.4141.6179.5-60.80000111.1C245 E267C245-S259 PolarHBondContact N-O 2.98Å; C245-S259 VanDerWaalsContact N-O 3.15Å; S259-E267 VanDerWaalsContact CB-OE1 3.3Å; S259-E267 WeakPolarHBondContact CB-OE1 3.1Å; S259-E267 PolarHBondContact N-OE1 3.36Å; S259-E267 VanDerWaalsContact N-OE1 3.07Å; S259-E267 PolarHBondContact N-OE2 3.24Å; S259-E267 PolarHBondContact OG-OE1 3.27Å
260Q98.4Very high98.6Very high10 Ų1024 Ų245%0.04714%0.141CC..SBendtrans-78.4-42168.3-166.7177.3700110.7D243 C245 H326 E331D243-Q260 CarbonylContact C-O 3.29Å; D243-Q260 VanDerWaalsContact C-O 3.25Å; D243-Q260 WeakPolarHBondContact CA-O 3.29Å; D243-Q260 HydrophobicContact CB-CG 3.9Å; D243-Q260 CarbonylContact O-C 3.59Å; D243-Q260 WeakPolarHBondContact O-CA 3.18Å; C245-Q260 VanDerWaalsContact SG-CG 3.59Å; Q260-H326 PolarHBondContact OE1-CD2 3.4Å; Q260-E331 PolarHBondContact NE2-OE1 3.03Å; Q260-E331 VanDerWaalsContact NE2-OE1 3.07Å
261F98.7Very high98.6Very high13 Ų1323.6 Ų23.66%0.05714%0.139CC..SBendtrans-137124.2-179.8-45.5-75000109.3H204 Y241 D243 E331 L334H204-F261 AromaticContact CD2-CE1 3.83Å; H204-F261 AromaticContact CD2-CZ 3.58Å; H204-F261 AromaticContact NE2-CZ 3.69Å; Y241-F261 HydrophobicContact CD1-CD1 4.05Å; Y241-F261 HydrophobicContact CD1-CE1 4.1Å; Y241-F261 AromaticContact CE1-CD1 3.4Å; Y241-F261 HydrophobicContact CE1-CD1 3.4Å; Y241-F261 VanDerWaalsContact CE1-CD1 3.4Å; Y241-F261 AromaticContact CE1-CE1 3.89Å; Y241-F261 HydrophobicContact CE1-CE1 3.89Å; D243-F261 HydrophobicContact CB-CE1 4.28Å; F261-E331 HydrophobicContact CE2-CB 4.23Å; F261-E331 HydrophobicContact CE2-CG 4.12Å; F261-E331 HydrophobicContact CZ-CB 4.35Å; F261-E331 HydrophobicContact CZ-CG 4.43Å; F261-L334 HydrophobicContact CB-CB 3.72Å; F261-L334 HydrophobicContact CD2-CB 3.5Å; F261-L334 VanDerWaalsContact CD2-CB 3.5Å; F261-L334 HydrophobicContact CD2-CD1 3.95Å; F261-L334 HydrophobicContact CD2-CG 4.38Å; F261-L334 HydrophobicContact CE2-CB 4.25Å; F261-L334 HydrophobicContact CG-CB 3.69Å
262S98.4Very high98.6Very high14 Ų1423.4 Ų23.410%0.09814%0.139CC..  trans-159162170.887.20000109.9K233 D264K233-S262 WeakPolarHBondContact CE-OG 3.3Å; K233-S262 PolarHBondContact NZ-O 3.04Å; K233-S262 PolarHBondContact NZ-OG 3.45Å; S262-D264 VanDerWaalsContact C-N 3.25Å; S262-D264 WeakPolarHBondContact CB-OD2 3.27Å; S262-D264 PolarHBondContact O-N 3.4Å; S262-D264 PolarHBondContact OG-N 2.81Å; S262-D264 PolarHBondContact OG-OD2 2.82Å
263L98.8Very high98.6Very high8 Ų822.4 Ų22.44%0.04213%0.129CC..SBendtrans-87.79.2176.8-51.5-172.5000113.1C338 W341 Q375 V376 V387L263-C338 HydrophobicContact CD2-CB 4.23Å; L263-W341 HydrophobicContact CD1-CG 4.38Å; L263-W341 HydrophobicContact CD2-CB 4.06Å; L263-W341 HydrophobicContact CD2-CG 3.89Å; L263-Q375 HydrophobicContact CD1-CB 3.88Å; L263-Q375 HydrophobicContact CD2-CB 4.48Å; L263-Q375 HydrophobicContact CG-CB 4.15Å; L263-V376 HydrophobicContact CD1-CB 4.29Å; L263-V376 HydrophobicContact CD1-CG2 3.65Å; L263-V387 HydrophobicContact CB-CG2 3.7Å; L263-V387 HydrophobicContact CD1-CG1 4.33Å; L263-V387 HydrophobicContact CD1-CG2 4.44Å; L263-V387 WeakPolarHBondContact O-CG2 3.37Å
264D98.5Very high98.5Very high53 Ų5320.6 Ų20.628%0.28312%0.115SC..  trans-77.6127.2178.7-49.7-56.4000110.1K233 S262 V266 N384K233-D264 PolarHBondContact NZ-O 2.72Å; S262-D264 VanDerWaalsContact C-N 3.25Å; S262-D264 WeakPolarHBondContact CB-OD2 3.27Å; S262-D264 PolarHBondContact O-N 3.4Å; S262-D264 PolarHBondContact OG-N 2.81Å; S262-D264 PolarHBondContact OG-OD2 2.82Å; D264-V266 PolarHBondContact O-N 2.89Å; D264-N384 PolarHBondContact OD1-ND2 3.25Å
265D98.6Very high98.4Very high25 Ų2520.1 Ų20.113%0.13411%0.113CC..SBendtrans-71.4-24.5174.2-95.920.7000111.7N13 R25 R345N13-D265 HydrophobicContact CB-CB 4.39Å; N13-D265 PolarHBondContact N-O 3.12Å; R25-D265 HydrophobicContact CG-CB 4.47Å; R25-D265 IonicContact CZ-OD2 2.85Å; R25-D265 IonicContact NE-OD2 2.68Å; R25-D265 PolarHBondContact NE-OD2 3.29Å; R25-D265 IonicContact NH2-OD2 2.71Å; R25-D265 PolarHBondContact NH2-OD2 2.87Å; D265-R345 IonicContact OD1-CZ 3.62Å; D265-R345 IonicContact OD1-NH1 3.06Å; D265-R345 IonicContact OD1-NH2 3.61Å; D265-R345 PolarHBondContact OD1-NH2 3.45Å; D265-R345 IonicContact OD2-NH1 3.62Å; D265-R345 IonicContact OD2-NH2 3.68Å
266V98.9Very high98.3Very high31 Ų3121.7 Ų21.719%0.18812%0.12CC..EExtended strand (participates in β ladder)trans-138.4116.6-179.7-177.50000110.5L12 R25 K28 I32 D264 V268L12-V266 HydrophobicContact CD2-CB 4.25Å; L12-V266 HydrophobicContact CD2-CG1 3.85Å; L12-V266 HydrophobicContact CD2-CG2 4.1Å; R25-V266 HydrophobicContact CB-CG2 3.9Å; R25-V266 HydrophobicContact CG-CG2 4.02Å; K28-V266 HydrophobicContact CB-CG2 4.26Å; K28-V266 HydrophobicContact CG-CG1 4.45Å; K28-V266 HydrophobicContact CG-CG2 4.33Å; I32-V266 HydrophobicContact CD1-CG1 4.07Å; D264-V266 PolarHBondContact O-N 2.89Å; V266-V268 HydrophobicContact CG1-CG2 4.11Å
267E98.8Very high98.3Very high32 Ų3224.2 Ų24.215%0.1513%0.132CC..EExtended strand (participates in β ladder)trans-120.3126.8170.2-175.6-176-135.900109.4C10 A11 S259C10-E267 CarbonylContact C-O 3.52Å; C10-E267 WeakPolarHBondContact CA-O 3.4Å; C10-E267 WeakPolarHBondContact CB-O 3.13Å; A11-E267 PolarHBondContact N-O 3.46Å; A11-E267 PolarHBondContact O-N 3.35Å; S259-E267 VanDerWaalsContact CB-OE1 3.3Å; S259-E267 WeakPolarHBondContact CB-OE1 3.1Å; S259-E267 PolarHBondContact N-OE1 3.36Å; S259-E267 VanDerWaalsContact N-OE1 3.07Å; S259-E267 PolarHBondContact N-OE2 3.24Å; S259-E267 PolarHBondContact OG-OE1 3.27Å
268V98.9Very high98.3Very high7 Ų721.5 Ų21.54%0.04212%0.12CC..EExtended strand (participates in β ladder)trans-119134.6179.3-178.60000109.7A8 C10 I32 A33 R36 V266 T270A8-V268 HydrophobicContact CB-CG1 4.13Å; C10-V268 HydrophobicContact CB-CG2 4.04Å; I32-V268 HydrophobicContact CB-CB 4.37Å; I32-V268 HydrophobicContact CB-CG2 3.98Å; I32-V268 HydrophobicContact CD1-CG2 4.32Å; I32-V268 HydrophobicContact CG2-CB 3.74Å; I32-V268 HydrophobicContact CG2-CG1 4.17Å; I32-V268 HydrophobicContact CG2-CG2 3.89Å; A33-V268 HydrophobicContact CB-CG1 4.29Å; R36-V268 PolarHBondContact NH1-O 2.85Å; V266-V268 HydrophobicContact CG1-CG2 4.11Å; V268-T270 HydrophobicContact CG1-CG2 4.42Å
269L98.8Very high98.2Very high20 Ų2024.6 Ų24.611%0.10513%0.13CC..EExtended strand (participates in β ladder)trans-109.7141.1172.2-54.5179000109.1A8 T9 A246 I248 A256 G258A8-L269 WeakPolarHBondContact CA-O 3.38Å; T9-L269 HydrophobicContact CG2-CB 3.91Å; T9-L269 HydrophobicContact CG2-CD1 4.06Å; T9-L269 HydrophobicContact CG2-CG 4.39Å; T9-L269 PolarHBondContact N-O 2.9Å; T9-L269 PolarHBondContact O-N 3.19Å; A246-L269 VanDerWaalsContact C-CD1 3.5Å; A246-L269 HydrophobicContact CB-CD1 3.92Å; A246-L269 WeakPolarHBondContact O-CD1 3.48Å; I248-L269 HydrophobicContact CD1-CB 4.35Å; A256-L269 HydrophobicContact CB-CB 4.04Å; A256-L269 HydrophobicContact CB-CD1 4.17Å; G258-L269 VanDerWaalsContact N-CD1 3.31Å
270T98.8Very high98.1Very high40 Ų4025.9 Ų25.925%0.24514%0.14CC..EExtended strand (participates in β ladder)trans-133.7142.7174.747.90000109.9V7 A8 R36 A38 V268V7-T270 VanDerWaalsContact O-CA 3.29Å; V7-T270 WeakPolarHBondContact O-CA 3.36Å; A8-T270 HydrophobicContact CB-CG2 3.89Å; R36-T270 HydrophobicContact CB-CG2 3.82Å; A38-T270 HydrophobicContact CB-CG2 4.33Å; V268-T270 HydrophobicContact CG1-CG2 4.42Å
271A98.4Very high98.1Very high1 Ų128.1 Ų28.11%0.00815%0.148CC..EExtended strand (participates in β ladder)trans-136.9143.4169.100000109.5T6 V7 I248 F255 L273 S318T6-A271 WeakPolarHBondContact CA-O 3.38Å; V7-A271 PolarHBondContact N-O 2.92Å; V7-A271 VanDerWaalsContact N-O 3.1Å; V7-A271 PolarHBondContact O-N 2.76Å; I248-A271 HydrophobicContact CB-CB 4.32Å; I248-A271 HydrophobicContact CD1-CB 3.69Å; I248-A271 HydrophobicContact CG2-CB 3.97Å; F255-A271 HydrophobicContact CB-CB 4.29Å; A271-L273 HydrophobicContact CB-CD1 4.29Å; A271-L273 HydrophobicContact CB-CD2 4.31Å; A271-L273 HydrophobicContact CB-CG 4.12Å; A271-S318 WeakPolarHBondContact CA-OG 3.3Å
272T97.9Very high98Very high20 Ų2028.1 Ų28.112%0.12315%0.148CC..EExtended strand (participates in β ladder)trans-106115.2173-59.50000107.9K4 V5 T6 A315 P316 V317 S318K4-T272 HydrophobicContact CB-CG2 4.27Å; V5-T272 CarbonylContact O-C 3.58Å; V5-T272 VanDerWaalsContact O-CA 3.29Å; V5-T272 WeakPolarHBondContact O-CA 3.21Å; T6-T272 PolarHBondContact OG1-OG1 3.43Å; T272-A315 HydrophobicContact CG2-CB 4.06Å; T272-P316 VanDerWaalsContact CB-O 3.27Å; T272-P316 WeakPolarHBondContact CB-O 3.18Å; T272-P316 WeakPolarHBondContact CG2-O 3.48Å; T272-V317 WeakPolarHBondContact O-CA 3.37Å; T272-S318 PolarHBondContact N-OG 2.94Å; T272-S318 PolarHBondContact O-N 3.12Å
273L97.8Very high97.9Very high0 Ų030.3 Ų30.30%017%0.167CC..EExtended strand (participates in β ladder)trans-128.2145-169.8-58.2172.2000110K4 V5 I226 I248 M250 F255 A271K4-L273 CarbonylContact C-O 3.56Å; K4-L273 WeakPolarHBondContact CA-O 3.37Å; V5-L273 PolarHBondContact N-O 2.89Å; V5-L273 PolarHBondContact O-N 2.78Å; I226-L273 HydrophobicContact CB-CD1 4.44Å; I226-L273 HydrophobicContact CD1-CB 3.9Å; I226-L273 HydrophobicContact CD1-CD1 3.86Å; I226-L273 HydrophobicContact CG1-CD1 3.86Å; I226-L273 HydrophobicContact CG2-CD1 3.72Å; I248-L273 HydrophobicContact CG2-CD1 3.97Å; M250-L273 HydrophobicContact CB-CD1 4.43Å; M250-L273 HydrophobicContact CE-CD2 4.14Å; M250-L273 HydrophobicContact SD-CB 4.13Å; M250-L273 HydrophobicContact SD-CD1 4.3Å; M250-L273 HydrophobicContact SD-CD2 4.41Å; F255-L273 HydrophobicContact CB-CD2 4.41Å; F255-L273 HydrophobicContact CD1-CD2 3.6Å; F255-L273 HydrophobicContact CD2-CD2 4.31Å; F255-L273 HydrophobicContact CE1-CD2 3.85Å; F255-L273 HydrophobicContact CG-CD2 3.84Å; F255-L273 HydrophobicContact CZ-CD2 4.34Å; A271-L273 HydrophobicContact CB-CD1 4.29Å; A271-L273 HydrophobicContact CB-CD2 4.31Å; A271-L273 HydrophobicContact CB-CG 4.12Å
274D97Very high97.7Very high14 Ų1437.2 Ų37.28%0.07520%0.199CC..EExtended strand (participates in β ladder)trans-89.1121.8174.9-167.9-22.2000109.8R3 K4 E276 D277R3-D274 WeakPolarHBondContact CG-OD1 2.88Å; R3-D274 IonicContact CZ-OD2 3.2Å; R3-D274 IonicContact NE-OD1 3.74Å; R3-D274 IonicContact NE-OD2 2.75Å; R3-D274 PolarHBondContact NE-OD2 3.17Å; R3-D274 IonicContact NH2-OD2 3.44Å; K4-D274 HydrophobicContact CG-CB 4.38Å; D274-E276 PolarHBondContact O-N 3.23Å; D274-E276 VanDerWaalsContact OD1-CB 3.3Å; D274-E276 WeakPolarHBondContact OD1-CB 3.33Å; D274-E276 PolarHBondContact OD1-N 2.95Å; D274-D277 WeakPolarHBondContact O-CB 3.38Å; D274-D277 PolarHBondContact O-N 3.1Å; D274-D277 VanDerWaalsContact O-N 3.08Å
275L97.4Very high97.5Very high0 Ų036.7 Ų36.70%020%0.196CC..Hα-helixtrans-63.4-24.2176.8-66.1173.5000112.2R3 V5 E194 I195 I226 D277 V278 R279R3-L275 PolarHBondContact O-N 2.8Å; V5-L275 HydrophobicContact CG1-CD1 3.71Å; V5-L275 HydrophobicContact CG1-CD2 4.43Å; V5-L275 HydrophobicContact CG1-CG 3.98Å; V5-L275 HydrophobicContact CG2-CD2 4.02Å; V5-L275 HydrophobicContact CG2-CG 4.18Å; E194-L275 HydrophobicContact CB-CD2 4.4Å; I195-L275 HydrophobicContact CD1-CD2 4.31Å; I195-L275 HydrophobicContact CG1-CD2 4.35Å; I226-L275 HydrophobicContact CD1-CD2 3.99Å; L275-D277 PolarHBondContact O-N 2.88Å; L275-V278 WeakPolarHBondContact O-CB 3.43Å; L275-V278 PolarHBondContact O-N 3.13Å; L275-R279 WeakPolarHBondContact O-CG 3.48Å; L275-R279 PolarHBondContact O-N 3.05Å; L275-R279 VanDerWaalsContact O-N 3.09Å
276E96.7Very high96.9Very high57 Ų5739.8 Ų39.827%0.26622%0.219SC..Hα-helixtrans-66.7-24.7174.6-64.3-57.9151.400112.7R3 D274 V278 R279 S280R3-E276 HydrophobicContact CG-CG 3.7Å; D274-E276 PolarHBondContact O-N 3.23Å; D274-E276 VanDerWaalsContact OD1-CB 3.3Å; D274-E276 WeakPolarHBondContact OD1-CB 3.33Å; D274-E276 PolarHBondContact OD1-N 2.95Å; E276-V278 VanDerWaalsContact C-N 3.32Å; E276-R279 PolarHBondContact O-N 3.38Å; E276-R279 WeakPolarHBondContact OE1-CD 3.43Å; E276-R279 IonicContact OE1-CZ 3.45Å; E276-R279 IonicContact OE1-NE 2.98Å; E276-R279 IonicContact OE1-NH1 2.94Å; E276-R279 PolarHBondContact OE1-NH1 3.2Å; E276-R279 WeakPolarHBondContact OE2-CD 3.38Å; E276-S280 VanDerWaalsContact O-CB 3.28Å; E276-S280 WeakPolarHBondContact O-CB 3.42Å; E276-S280 PolarHBondContact O-N 3.15Å; E276-S280 PolarHBondContact O-OG 3.06Å
277D97.6Very high96.5Very high65 Ų6542.8 Ų42.835%0.34824%0.242SC..Hα-helixtrans-68.1-35.6173.2-64.2-23.5000110.7M250 N251 D274 L275 S280 Y281M250-D277 HydrophobicContact CE-CB 3.92Å; M250-D277 HydrophobicContact SD-CB 4.43Å; N251-D277 PolarHBondContact ND2-O 3.24Å; N251-D277 VanDerWaalsContact ND2-O 3.12Å; D274-D277 WeakPolarHBondContact O-CB 3.38Å; D274-D277 PolarHBondContact O-N 3.1Å; D274-D277 VanDerWaalsContact O-N 3.08Å; L275-D277 PolarHBondContact O-N 2.88Å; D277-S280 PolarHBondContact O-OG 3.07Å; D277-Y281 WeakPolarHBondContact O-CB 3.32Å; D277-Y281 PolarHBondContact O-N 2.87Å
278V97.8Very high96.2Very high0 Ų043 Ų430%024%0.241CC..Hα-helixtrans-67.4-47.3172.31730000111E194 I226 M250 L275 E276 Y281 R282E194-V278 HydrophobicContact CB-CG1 4.38Å; E194-V278 HydrophobicContact CG-CG1 4.38Å; I226-V278 HydrophobicContact CD1-CG2 4.31Å; I226-V278 HydrophobicContact CG1-CG2 3.88Å; M250-V278 HydrophobicContact CG-CG2 4.05Å; M250-V278 HydrophobicContact SD-CG2 3.89Å; L275-V278 WeakPolarHBondContact O-CB 3.43Å; L275-V278 PolarHBondContact O-N 3.13Å; E276-V278 VanDerWaalsContact C-N 3.32Å; V278-Y281 PolarHBondContact O-N 3.24Å; V278-R282 WeakPolarHBondContact O-CB 3.41Å; V278-R282 WeakPolarHBondContact O-CG 3.34Å; V278-R282 PolarHBondContact O-N 3.3Å
279R97.4Very high95.8Very high66 Ų6645.2 Ų45.225%0.24925%0.253CS..Hα-helixtrans-62.8-47.3-176.5-67.6162.7-178159.910.4111.1D167 E194 L275 E276 R282 A283D167-R279 PolarHBondContact O-NH2 3.35Å; E194-R279 WeakPolarHBondContact OE1-CG 3.33Å; E194-R279 IonicContact OE1-CZ 2.76Å; E194-R279 IonicContact OE1-NE 3.24Å; E194-R279 PolarHBondContact OE1-NE 2.9Å; E194-R279 IonicContact OE1-NH2 3.64Å; E194-R279 PolarHBondContact OE1-NH2 3.46Å; E194-R279 VanDerWaalsContact OE1-NH2 3.1Å; E194-R279 IonicContact OE2-CZ 3.29Å; E194-R279 IonicContact OE2-NH2 2.83Å; E194-R279 PolarHBondContact OE2-NH2 3.49Å; L275-R279 WeakPolarHBondContact O-CG 3.48Å; L275-R279 PolarHBondContact O-N 3.05Å; L275-R279 VanDerWaalsContact O-N 3.09Å; E276-R279 PolarHBondContact O-N 3.38Å; E276-R279 WeakPolarHBondContact OE1-CD 3.43Å; E276-R279 IonicContact OE1-CZ 3.45Å; E276-R279 IonicContact OE1-NE 2.98Å; E276-R279 IonicContact OE1-NH1 2.94Å; E276-R279 PolarHBondContact OE1-NH1 3.2Å; E276-R279 WeakPolarHBondContact OE2-CD 3.38Å; R279-R282 PolarHBondContact O-N 2.8Å; R279-A283 WeakPolarHBondContact O-CB 3.37Å; R279-A283 PolarHBondContact O-N 3.25Å
280S97.2Very high95.4Very high68 Ų6849.1 Ų49.148%0.47627%0.273SS..Hα-helixtrans-67.2-43.7177.859.50000112.4E276 D277 R282 A283 E284E276-S280 VanDerWaalsContact O-CB 3.28Å; E276-S280 WeakPolarHBondContact O-CB 3.42Å; E276-S280 PolarHBondContact O-N 3.15Å; E276-S280 PolarHBondContact O-OG 3.06Å; D277-S280 PolarHBondContact O-OG 3.07Å; S280-R282 VanDerWaalsContact C-N 3.33Å; S280-R282 PolarHBondContact O-N 3.21Å; S280-A283 WeakPolarHBondContact O-CB 3.39Å; S280-A283 PolarHBondContact O-N 3.31Å; S280-A283 VanDerWaalsContact O-N 3.09Å; S280-E284 PolarHBondContact O-N 3.27Å
281Y97.6Very high95.1Very high56 Ų5649.4 Ų49.422%0.2228%0.28CS..Hα-helixtrans-59-42.9174.9-175.6-93.6000112.3S221 N251 D277 V278 A283 E284 I285S221-Y281 PolarHBondContact O-OH 2.81Å; N251-Y281 HydrophobicContact CB-CD1 3.97Å; N251-Y281 HydrophobicContact CB-CD2 3.84Å; N251-Y281 HydrophobicContact CB-CE1 4.04Å; N251-Y281 HydrophobicContact CB-CE2 3.91Å; N251-Y281 HydrophobicContact CB-CG 3.85Å; N251-Y281 VanDerWaalsContact CG-CG 3.5Å; N251-Y281 VanDerWaalsContact ND2-CB 3.32Å; N251-Y281 WeakPolarHBondContact ND2-CB 3.27Å; D277-Y281 WeakPolarHBondContact O-CB 3.32Å; D277-Y281 PolarHBondContact O-N 2.87Å; V278-Y281 PolarHBondContact O-N 3.24Å; Y281-A283 VanDerWaalsContact C-N 3.34Å; Y281-A283 PolarHBondContact O-N 3.43Å; Y281-E284 WeakPolarHBondContact O-CB 2.88Å; Y281-E284 PolarHBondContact O-N 2.77Å; Y281-I285 HydrophobicContact CD1-CD1 4.09Å; Y281-I285 HydrophobicContact CE1-CD1 3.65Å
282R97.4Very high94.8Very high13 Ų1350.4 Ų50.45%0.04929%0.288CS..Hα-helixtrans-68.1-33.6175.1-76.2179.7170.7170.34.1112.8V193 N223 G224 V278 R279 S280 E284 I285 N289V193-R282 PolarHBondContact O-NH1 3.06Å; V193-R282 PolarHBondContact O-NH2 3.33Å; N223-R282 PolarHBondContact O-NE 3.08Å; G224-R282 PolarHBondContact O-NE 2.88Å; G224-R282 PolarHBondContact O-NH2 2.96Å; V278-R282 WeakPolarHBondContact O-CB 3.41Å; V278-R282 WeakPolarHBondContact O-CG 3.34Å; V278-R282 PolarHBondContact O-N 3.3Å; R279-R282 PolarHBondContact O-N 2.8Å; S280-R282 VanDerWaalsContact C-N 3.33Å; S280-R282 PolarHBondContact O-N 3.21Å; R282-E284 VanDerWaalsContact C-N 3.32Å; R282-I285 PolarHBondContact O-N 3.17Å; R282-N289 PolarHBondContact O-ND2 3.02Å; R282-N289 PolarHBondContact O-OD1 3.3Å
283A95.4Very high94.5Very high61 Ų6153.8 Ų53.850%0.50431%0.312SS..Hα-helixtrans-65.8-36.2176.300000111.8R279 S280 Y281 I285 N289R279-A283 WeakPolarHBondContact O-CB 3.37Å; R279-A283 PolarHBondContact O-N 3.25Å; S280-A283 WeakPolarHBondContact O-CB 3.39Å; S280-A283 PolarHBondContact O-N 3.31Å; S280-A283 VanDerWaalsContact O-N 3.09Å; Y281-A283 VanDerWaalsContact C-N 3.34Å; Y281-A283 PolarHBondContact O-N 3.43Å; A283-I285 PolarHBondContact O-N 2.76Å; A283-N289 PolarHBondContact O-ND2 3.28Å
284E94.6Very high94.3Very high152 Ų15263.1 Ų63.171%0.7135%0.347SS*.Hα-helixtrans-57-37.8174.1-170.6-177155.400111.9S280 Y281 R282 S286S280-E284 PolarHBondContact O-N 3.27Å; Y281-E284 WeakPolarHBondContact O-CB 2.88Å; Y281-E284 PolarHBondContact O-N 2.77Å; R282-E284 VanDerWaalsContact C-N 3.32Å; E284-S286 PolarHBondContact O-N 3.04Å; E284-S286 VanDerWaalsContact O-N 3.1Å
285I94.1Very high94Very high42 Ų4263.9 Ų63.922%0.21536%0.356CS..  trans-87.581.6-175.9-50.2170000111.1Y281 R282 A283 S287 R288 N289Y281-I285 HydrophobicContact CD1-CD1 4.09Å; Y281-I285 HydrophobicContact CE1-CD1 3.65Å; R282-I285 PolarHBondContact O-N 3.17Å; A283-I285 PolarHBondContact O-N 2.76Å; I285-S287 PolarHBondContact O-N 3.44Å; I285-R288 HydrophobicContact CB-CB 4.11Å; I285-R288 HydrophobicContact CG2-CB 3.66Å; I285-R288 WeakPolarHBondContact O-CB 3.19Å; I285-R288 PolarHBondContact O-N 3.37Å; I285-N289 PolarHBondContact O-N 2.96Å; I285-N289 PolarHBondContact O-ND2 3.49Å
286S87.3Confident93.7Very high90 Ų9068.3 Ų68.363%0.62939%0.387SS*.Hα-helixtrans-57.6-38.5-176-69.90000114.9E284 R288 N289 L290E284-S286 PolarHBondContact O-N 3.04Å; E284-S286 VanDerWaalsContact O-N 3.1Å; S286-R288 VanDerWaalsContact C-N 3.32Å; S286-R288 PolarHBondContact O-N 2.72Å; S286-N289 PolarHBondContact O-N 2.88Å; S286-L290 PolarHBondContact O-N 3.46Å
287S90.4Very high93.6Very high94 Ų9469.9 Ų69.966%0.65740%0.402SS*.Hα-helixtrans-65.2-34.6179.555.10000112.8I285 L290 A291I285-S287 PolarHBondContact O-N 3.44Å; S287-L290 PolarHBondContact O-N 2.9Å; S287-A291 PolarHBondContact O-N 3.42Å
288R92.6Very high93.6Very high37 Ų3767.1 Ų67.114%0.1439%0.387CS..Hα-helixtrans-63.9-42.5173.7-172.1-144.677.988.33.9110.9G189 L190 I285 S286 L290 A291 A292G189-R288 PolarHBondContact O-NH1 2.95Å; L190-R288 HydrophobicContact CD2-CG 4.5Å; I285-R288 HydrophobicContact CB-CB 4.11Å; I285-R288 HydrophobicContact CG2-CB 3.66Å; I285-R288 WeakPolarHBondContact O-CB 3.19Å; I285-R288 PolarHBondContact O-N 3.37Å; S286-R288 VanDerWaalsContact C-N 3.32Å; S286-R288 PolarHBondContact O-N 2.72Å; R288-L290 VanDerWaalsContact C-N 3.3Å; R288-L290 PolarHBondContact O-N 3.29Å; R288-A291 WeakPolarHBondContact O-CB 3.35Å; R288-A291 PolarHBondContact O-N 3.3Å; R288-A291 VanDerWaalsContact O-N 3.11Å; R288-A292 WeakPolarHBondContact O-CB 3.4Å; R288-A292 PolarHBondContact O-N 3.47Å
289N89.1Confident93.7Very high54 Ų5468.9 Ų68.929%0.28940%0.398SS..Hα-helixtrans-62.8-37.4-179.9-61-33.6000112R282 A283 I285 S286 A292 S293R282-N289 PolarHBondContact O-ND2 3.02Å; R282-N289 PolarHBondContact O-OD1 3.3Å; A283-N289 PolarHBondContact O-ND2 3.28Å; I285-N289 PolarHBondContact O-N 2.96Å; I285-N289 PolarHBondContact O-ND2 3.49Å; S286-N289 PolarHBondContact O-N 2.88Å; N289-A292 PolarHBondContact O-N 3.17Å; N289-S293 PolarHBondContact O-N 2.73Å; N289-S293 VanDerWaalsContact O-N 3.12Å
290L91.8Very high93.7Very high102 Ų10272.2 Ų72.253%0.53441%0.411SS..Hα-helixtrans-61.8-44.3172.4-178.963.2000111.9S286 S287 R288 S293S286-L290 PolarHBondContact O-N 3.46Å; S287-L290 PolarHBondContact O-N 2.9Å; R288-L290 VanDerWaalsContact C-N 3.3Å; R288-L290 PolarHBondContact O-N 3.29Å; L290-S293 PolarHBondContact O-N 2.85Å; L290-S293 PolarHBondContact O-OG 3.37Å
291A92.6Very high93.8Very high46 Ų4670 Ų7038%0.3839%0.394SS..Hα-helixtrans-64.6-43176.800000112L190 S287 R288 S293 R294 A295L190-A291 HydrophobicContact CD2-CB 3.79Å; S287-A291 PolarHBondContact O-N 3.42Å; R288-A291 WeakPolarHBondContact O-CB 3.35Å; R288-A291 PolarHBondContact O-N 3.3Å; R288-A291 VanDerWaalsContact O-N 3.11Å; A291-S293 VanDerWaalsContact C-N 3.28Å; A291-S293 PolarHBondContact O-N 2.95Å; A291-R294 PolarHBondContact O-N 2.75Å; A291-R294 VanDerWaalsContact O-N 3.12Å; A291-A295 PolarHBondContact O-N 3.05Å
292A91.7Very high93.9Very high22 Ų2276.5 Ų76.518%0.18242%0.424CS..Hα-helixtrans-59.3-37.8179.300000112.2L190 R288 N289 R294 A295L190-A292 HydrophobicContact CD2-CB 4.18Å; L190-A292 VanDerWaalsContact O-CB 3.31Å; L190-A292 WeakPolarHBondContact O-CB 3.35Å; R288-A292 WeakPolarHBondContact O-CB 3.4Å; R288-A292 PolarHBondContact O-N 3.47Å; N289-A292 PolarHBondContact O-N 3.17Å; A292-R294 PolarHBondContact O-N 2.73Å; A292-A295 PolarHBondContact O-N 2.81Å; A292-A295 VanDerWaalsContact O-N 3.15Å
293S92.1Very high93.9Very high91 Ų9176.2 Ų76.264%0.63642%0.423SS*.THydrogen-bonded Turntrans-61.6-14.7178.474.40000115.1N289 L290 A291N289-S293 PolarHBondContact O-N 2.73Å; N289-S293 VanDerWaalsContact O-N 3.12Å; L290-S293 PolarHBondContact O-N 2.85Å; L290-S293 PolarHBondContact O-OG 3.37Å; A291-S293 VanDerWaalsContact C-N 3.28Å; A291-S293 PolarHBondContact O-N 2.95Å
294R92.7Very high94Very high195 Ų19579.6 Ų79.674%0.73643%0.433SS*.THydrogen-bonded Turntrans-113.8-0.9-178.1-57.3179.2-175.2179.40.1113.1A291 A292A291-R294 PolarHBondContact O-N 2.75Å; A291-R294 VanDerWaalsContact O-N 3.12Å; A292-R294 PolarHBondContact O-N 2.73Å
295A91.6Very high94.2Very high31 Ų3173 Ų7326%0.25640%0.402SS..PPolyproline II helixtrans-70.8144.6-175.600000111.2L190 A291 A292L190-A295 HydrophobicContact CB-CB 3.76Å; L190-A295 HydrophobicContact CD1-CB 4.49Å; A291-A295 PolarHBondContact O-N 3.05Å; A292-A295 PolarHBondContact O-N 2.81Å; A292-A295 VanDerWaalsContact O-N 3.15Å
296S91.1Very high94.3Very high92 Ų9272.1 Ų72.164%0.64340%0.401SS*.PPolyproline II helixtrans-74.9133.3171.4-65.40000109.3
297P93.8Very high94.7Very high91 Ų9167.9 Ų67.959%0.59137%0.372SS*.PPolyproline II helixtrans-72152.7-173.429.3-35.4000112.3D191D191-P297 VanDerWaalsContact OD1-CA 3.31Å; D191-P297 WeakPolarHBondContact OD1-CA 3.42Å
298Y98.3Very high94.9Very high7 Ų764 Ų643%0.02734%0.344CS..PPolyproline II helixtrans-81.8147.9167.1-85.2-98.7000111.3R136 D160 V162 P184 D187 M188 D191 R300R136-Y298 VanDerWaalsContact NH1-CE1 3.29Å; R136-Y298 PolarHBondContact NH1-OH 2.93Å; R136-Y298 PolarHBondContact NH2-OH 2.9Å; D160-Y298 WeakPolarHBondContact OD1-CE1 3.23Å; V162-Y298 HydrophobicContact CG1-CD1 3.96Å; V162-Y298 HydrophobicContact CG1-CG 3.97Å; P184-Y298 PolarHBondContact O-OH 2.85Å; D187-Y298 HydrophobicContact CB-CE2 3.84Å; M188-Y298 HydrophobicContact CB-CE2 4.41Å; M188-Y298 HydrophobicContact CE-CE1 3.96Å; M188-Y298 HydrophobicContact CG-CE1 4.13Å; M188-Y298 HydrophobicContact CG-CE2 3.82Å; M188-Y298 WeakPolarHBondContact CG-OH 3.15Å; D191-Y298 HydrophobicContact CB-CD2 3.88Å; D191-Y298 PolarHBondContact OD2-N 2.64Å; Y298-R300 WeakPolarHBondContact O-CG 3.15Å; Y298-R300 PolarHBondContact O-N 2.8Å
299P98.6Very high94.3Very high36 Ų3665.3 Ų65.323%0.23436%0.358CS..PPolyproline II helixtrans-55.1132159.9-2232.8000110.4R136 T138 D160 A161 V162R136-P299 WeakPolarHBondContact O-CD 3.42Å; R136-P299 WeakPolarHBondContact O-CG 3.18Å; T138-P299 HydrophobicContact CG2-CB 4.31Å; D160-P299 WeakPolarHBondContact O-CD 3.42Å; A161-P299 WeakPolarHBondContact CA-O 3.43Å; A161-P299 HydrophobicContact CB-CB 4Å; A161-P299 WeakPolarHBondContact CB-O 3.43Å; V162-P299 PolarHBondContact N-O 3.34Å
300R98.6Very high93.6Very high136 Ų13672.1 Ų72.151%0.51339%0.388SS..EExtended strand (participates in β ladder)trans-114.2117.8-176.6-59.6-170.8177.8-178.1-3.1111.3V162 A164 D191 Y298V162-R300 HydrophobicContact CG2-CG 3.88Å; V162-R300 WeakPolarHBondContact O-CA 3.39Å; A164-R300 HydrophobicContact CB-CB 4.43Å; D191-R300 VanDerWaalsContact CG-NH2 3.34Å; D191-R300 PolarHBondContact O-NH2 3.28Å; D191-R300 IonicContact OD1-NH2 2.92Å; D191-R300 PolarHBondContact OD1-NH2 2.81Å; D191-R300 IonicContact OD2-CZ 3Å; D191-R300 IonicContact OD2-NE 3.98Å; D191-R300 IonicContact OD2-NH2 3.43Å; D191-R300 PolarHBondContact OD2-NH2 2.95Å; Y298-R300 WeakPolarHBondContact O-CG 3.15Å; Y298-R300 PolarHBondContact O-N 2.8Å
301V98.8Very high92.6Very high22 Ų2274.5 Ų74.513%0.13340%0.396CS..EExtended strand (participates in β ladder)trans-83.1114.3168.7-179.90000107.8L109 L110 P157 A161 V162 L163 A164 V303L109-V301 WeakPolarHBondContact O-CG1 3.43Å; L110-V301 HydrophobicContact CB-CG2 4.47Å; L110-V301 HydrophobicContact CD1-CG2 4.4Å; P157-V301 HydrophobicContact CB-CG2 4.26Å; P157-V301 HydrophobicContact CG-CG2 4.17Å; A161-V301 HydrophobicContact CB-CG2 4.31Å; V162-V301 PolarHBondContact O-N 3.03Å; L163-V301 HydrophobicContact CD2-CB 3.83Å; L163-V301 HydrophobicContact CD2-CG1 4.13Å; L163-V301 HydrophobicContact CD2-CG2 4.42Å; A164-V301 PolarHBondContact N-O 3.22Å; V301-V303 HydrophobicContact CG1-CG2 4.42Å
302K98.7Very high91.7Very high193 Ų19373.2 Ų73.284%0.83938%0.383SS*.EExtended strand (participates in β ladder)trans-76.4126.6177.6-62.1-178.8-177.8179.40109.5
303V98.6Very high90.9Very high7 Ų778.6 Ų78.64%0.04241%0.408CS..  trans-118.6119.4-178.4-172.70000108.6L104 L109 L163 A164 T165 V301 F305L104-V303 HydrophobicContact CD2-CG1 3.95Å; L109-V303 HydrophobicContact CD1-CG1 3.83Å; L109-V303 HydrophobicContact CD1-CG2 3.96Å; L109-V303 HydrophobicContact CD2-CG1 4.16Å; L109-V303 HydrophobicContact CD2-CG2 4.38Å; L163-V303 HydrophobicContact CB-CG2 4.13Å; L163-V303 HydrophobicContact CD2-CG2 4.21Å; A164-V303 PolarHBondContact O-N 2.71Å; T165-V303 HydrophobicContact CG2-CB 4.43Å; V301-V303 HydrophobicContact CG1-CG2 4.42Å; V303-F305 HydrophobicContact CG1-CB 3.86Å; V303-F305 PolarHBondContact O-N 3.12Å
304D98Very high90.3Very high131 Ų13181.7 Ų81.770%0.70142%0.417SS*.SBendtrans-75.573.2175.3-176.913.9000110.4W166W166-D304 HydrophobicContact CZ2-CB 4.39Å; W166-D304 WeakPolarHBondContact CZ2-OD1 3.19Å; W166-D304 PolarHBondContact NE1-OD1 2.91Å
305F97.7Very high89.9Confident13 Ų1373.6 Ų73.66%0.05739%0.392CS..  trans-159.1147.6-177.1-165.7-115.4000109.9R39 D81 I83 L104 T165 W166 V303 L307R39-F305 HydrophobicContact CB-CE1 4.3Å; R39-F305 VanDerWaalsContact NH1-CE2 3.31Å; D81-F305 WeakPolarHBondContact O-CZ 3.11Å; I83-F305 HydrophobicContact CD1-CD1 3.79Å; I83-F305 HydrophobicContact CD1-CE1 4.22Å; I83-F305 HydrophobicContact CG1-CD1 3.97Å; I83-F305 HydrophobicContact CG1-CE1 4.05Å; L104-F305 HydrophobicContact CD1-CD2 4.24Å; L104-F305 HydrophobicContact CD1-CE2 4Å; L104-F305 HydrophobicContact CD1-CZ 4.13Å; L104-F305 HydrophobicContact CD2-CB 3.6Å; L104-F305 HydrophobicContact CD2-CD1 4.12Å; L104-F305 HydrophobicContact CD2-CD2 3.66Å; L104-F305 HydrophobicContact CD2-CE2 4.27Å; L104-F305 HydrophobicContact CD2-CG 3.55Å; T165-F305 VanDerWaalsContact CB-O 3.23Å; T165-F305 WeakPolarHBondContact CB-O 3.38Å; W166-F305 PolarHBondContact N-O 3.14Å; V303-F305 HydrophobicContact CG1-CB 3.86Å; V303-F305 PolarHBondContact O-N 3.12Å; F305-L307 HydrophobicContact CD1-CD1 4.27Å; F305-L307 HydrophobicContact CE1-CD1 4.18Å
306A96.9Very high89.9Confident25 Ų2577.2 Ų77.221%0.20741%0.413CS..  trans-110.2130.7171.100000108.2R39 W166R39-A306 VanDerWaalsContact CZ-O 3.31Å; R39-A306 PolarHBondContact NE-O 2.83Å; R39-A306 PolarHBondContact NH2-O 3.08Å; W166-A306 HydrophobicContact CB-CB 4.28Å
307L96Very high90.1Very high1 Ų175.5 Ų75.51%0.00540%0.398CS..SBendtrans-76.8-29.6179.1-140.474.3000112V5 V7 R39 I83 D167 T168 I170 I195 F305V5-L307 HydrophobicContact CB-CD2 4.3Å; V5-L307 HydrophobicContact CG1-CB 3.91Å; V5-L307 HydrophobicContact CG1-CD2 4.24Å; V5-L307 HydrophobicContact CG1-CG 4.44Å; V7-L307 HydrophobicContact CG1-CD2 4.13Å; R39-L307 HydrophobicContact CB-CD1 4.35Å; R39-L307 HydrophobicContact CB-CG 4.23Å; R39-L307 VanDerWaalsContact CB-O 3.27Å; R39-L307 WeakPolarHBondContact CB-O 3.13Å; R39-L307 VanDerWaalsContact CG-O 3.28Å; R39-L307 WeakPolarHBondContact CG-O 3.3Å; I83-L307 HydrophobicContact CD1-CD1 3.85Å; D167-L307 VanDerWaalsContact CG-N 3.31Å; D167-L307 PolarHBondContact OD1-N 3.01Å; D167-L307 PolarHBondContact OD2-N 3.39Å; T168-L307 HydrophobicContact CG2-CB 4.06Å; T168-L307 HydrophobicContact CG2-CD2 3.98Å; I170-L307 HydrophobicContact CD1-CD1 4.05Å; I170-L307 HydrophobicContact CD1-CD2 3.97Å; I195-L307 HydrophobicContact CD1-CD2 3.6Å; F305-L307 HydrophobicContact CD1-CD1 4.27Å; F305-L307 HydrophobicContact CE1-CD1 4.18Å
308S93Very high90.3Very high11 Ų1172.6 Ų72.68%0.07738%0.38CS..BIsolated β-bridgetrans-75.1154.817058.20000111.5G2 K4 D167G2-S308 WeakPolarHBondContact CA-OG 3.15Å; K4-S308 WeakPolarHBondContact O-CA 3.28Å; K4-S308 VanDerWaalsContact O-CB 3.23Å; K4-S308 WeakPolarHBondContact O-CB 3.49Å; D167-S308 WeakPolarHBondContact OD2-CB 3.33Å; D167-S308 PolarHBondContact OD2-N 3.49Å; D167-S308 PolarHBondContact OD2-OG 3.41Å
309C80.8Confident90.3Very high65 Ų6579.2 Ų79.244%0.43941%0.411SS..  trans-101.8163.4171.367.90000110.7E311 D312C309-E311 PolarHBondContact O-N 2.96Å; C309-D312 WeakPolarHBondContact O-CB 3.49Å; C309-D312 PolarHBondContact O-N 3.31Å
310H75.3Confident90.3Very high198 Ų19880.8 Ų80.892%0.91742%0.421SS*.THydrogen-bonded Turntrans-70.4-16.2-179.3-72.663.7000113.4
311E70.1Confident90.3Very high151 Ų15177.9 Ų77.971%0.70642%0.415SS*.THydrogen-bonded Turntrans-103.518.8179.6-62.1-179.3176.500112.4C309 L313 L314C309-E311 PolarHBondContact O-N 2.96Å; E311-L313 PolarHBondContact O-N 3.43Å; E311-L313 VanDerWaalsContact O-N 3.15Å; E311-L314 PolarHBondContact O-N 3.07Å; E311-L314 VanDerWaalsContact O-N 3.16Å
312D73.3Confident90.2Very high19 Ų1985.3 Ų85.310%0.10245%0.448CS..G310 helixtrans-59.2-28.8-17370.4-15.1000114.1R3 K4 C309 L314 A315R3-D312 WeakPolarHBondContact CB-OD2 3.41Å; R3-D312 PolarHBondContact N-OD2 2.99Å; R3-D312 VanDerWaalsContact N-OD2 3.16Å; K4-D312 HydrophobicContact CB-CB 4.09Å; K4-D312 VanDerWaalsContact CD-O 3.25Å; K4-D312 WeakPolarHBondContact CD-O 3.49Å; K4-D312 WeakPolarHBondContact CE-O 3.31Å; K4-D312 PolarHBondContact N-OD2 3.37Å; K4-D312 VanDerWaalsContact N-OD2 3.14Å; K4-D312 PolarHBondContact NZ-O 3.35Å; C309-D312 WeakPolarHBondContact O-CB 3.49Å; C309-D312 PolarHBondContact O-N 3.31Å; D312-L314 PolarHBondContact O-N 2.71Å; D312-A315 WeakPolarHBondContact O-CB 3.16Å; D312-A315 PolarHBondContact O-N 3Å; D312-A315 VanDerWaalsContact O-N 3.1Å
313L75.3Confident90.2Very high136 Ų13677.7 Ų77.771%0.71241%0.414SS*.G310 helixtrans-55.6-34.6177-69174.2000113.2K4 E311K4-L313 PolarHBondContact NZ-O 3.34Å; E311-L313 PolarHBondContact O-N 3.43Å; E311-L313 VanDerWaalsContact O-N 3.15Å
314L78.7Confident90.2Very high156 Ų15685.3 Ų85.382%0.81745%0.447SS*.G310 helixtrans-88.9-14-178.3-61.3175.9000113.3E311 D312E311-L314 PolarHBondContact O-N 3.07Å; E311-L314 VanDerWaalsContact O-N 3.16Å; D312-L314 PolarHBondContact O-N 2.71Å
315A85.3Confident90.2Very high25 Ų2583.9 Ų83.921%0.20743%0.432CS..SBendtrans-68.2128.7-179.500000110.7K4 T272 D312K4-A315 PolarHBondContact NZ-O 3.42Å; T272-A315 HydrophobicContact CG2-CB 4.06Å; D312-A315 WeakPolarHBondContact O-CB 3.16Å; D312-A315 PolarHBondContact O-N 3Å; D312-A315 VanDerWaalsContact O-N 3.1Å
316P91.4Very high90.2Very high107 Ų10786.5 Ų86.570%0.69544%0.444SS*.PPolyproline II helixtrans-67.1135.3176.528.1-33.2000109.8T272T272-P316 VanDerWaalsContact CB-O 3.27Å; T272-P316 WeakPolarHBondContact CB-O 3.18Å; T272-P316 WeakPolarHBondContact CG2-O 3.48Å
317V95.2Very high90.3Very high56 Ų5687.1 Ų87.134%0.33945%0.448SS..PPolyproline II helixtrans-78.6143.1174.8-179.40000108.7K4 T272K4-V317 HydrophobicContact CD-CG2 3.88Å; T272-V317 WeakPolarHBondContact O-CA 3.37Å
318S97.7Very high90.4Very high29 Ų2988.8 Ų88.820%0.20346%0.459CS..PPolyproline II helixtrans-74135174.2-61.30000110.5F255 A271 T272F255-S318 VanDerWaalsContact CD1-O 3.26Å; F255-S318 WeakPolarHBondContact CD1-O 3.42Å; F255-S318 VanDerWaalsContact CE1-O 3.24Å; F255-S318 WeakPolarHBondContact CE1-O 3.38Å; A271-S318 WeakPolarHBondContact CA-OG 3.3Å; T272-S318 PolarHBondContact N-OG 2.94Å; T272-S318 PolarHBondContact O-N 3.12Å
319E98.1Very high90.7Very high146 Ų14690.8 Ų90.868%0.68247%0.466SS*.PPolyproline II helixtrans-88.7150.4176.3-65.7-61.7150.400111.4
320P98.3Very high91.5Very high70 Ų7090.2 Ų90.246%0.45546%0.457SS..PPolyproline II helixtrans-58.6148.5172.7-24.334.7000113.1V254 F255V254-P320 CarbonylContact O-C 3.55Å; V254-P320 WeakPolarHBondContact O-CA 3.19Å; F255-P320 HydrophobicContact CE1-CG 3.93Å; F255-P320 HydrophobicContact CZ-CG 3.99Å
321I98.6Very high92.7Very high74 Ų7481.1 Ų81.138%0.37942%0.415SS..BIsolated β-bridgetrans-127.3153.2176.265.1169.7000111.5V254 Q257V254-I321 HydrophobicContact CB-CG1 4.25Å; V254-I321 HydrophobicContact CG1-CD1 4.17Å; V254-I321 HydrophobicContact CG1-CG1 3.95Å; V254-I321 WeakPolarHBondContact O-CG1 3.29Å; V254-I321 PolarHBondContact O-N 2.96Å; Q257-I321 HydrophobicContact CB-CD1 3.87Å
322E97.8Very high94Very high179 Ų17974 Ų7484%0.83638%0.382SS*.PPolyproline II helixtrans-83.9135.5165.2-70.8-170.5164.900110.7K324E322-K324 PolarHBondContact O-N 3.2Å
323W98.1Very high95.2Very high33 Ų3373.5 Ų73.513%0.12538%0.38CS..PPolyproline II helixtrans-70.9129.1176.2-169.5-79.7000111.1V213 C245 M247 V254 Q257 Y325V213-W323 HydrophobicContact CG1-CB 4.39Å; V213-W323 HydrophobicContact CG1-CD2 4.08Å; V213-W323 HydrophobicContact CG1-CE3 4.08Å; V213-W323 HydrophobicContact CG1-CG 4.22Å; V213-W323 HydrophobicContact CG2-CD2 3.6Å; V213-W323 VanDerWaalsContact CG2-CE2 3.47Å; V213-W323 HydrophobicContact CG2-CE3 3.93Å; V213-W323 HydrophobicContact CG2-CG 4.15Å; V213-W323 HydrophobicContact CG2-CH2 4.01Å; V213-W323 HydrophobicContact CG2-CZ2 3.68Å; V213-W323 HydrophobicContact CG2-CZ3 4.14Å; C245-W323 HydrophobicContact CB-CH2 4Å; C245-W323 HydrophobicContact CB-CZ2 4Å; M247-W323 HydrophobicContact CB-CH2 4.37Å; M247-W323 HydrophobicContact CB-CZ3 3.89Å; M247-W323 HydrophobicContact CE-CE3 4.41Å; M247-W323 HydrophobicContact CE-CH2 3.51Å; M247-W323 HydrophobicContact CE-CZ2 4.35Å; M247-W323 HydrophobicContact CE-CZ3 3.56Å; M247-W323 HydrophobicContact SD-CZ3 4.48Å; V254-W323 HydrophobicContact CG1-CE3 4.12Å; V254-W323 HydrophobicContact CG1-CZ3 4.4Å; Q257-W323 HydrophobicContact CB-CD2 4.48Å; Q257-W323 HydrophobicContact CB-CE3 3.83Å; Q257-W323 HydrophobicContact CB-CH2 4.18Å; Q257-W323 HydrophobicContact CB-CZ3 3.64Å; Q257-W323 HydrophobicContact CG-CD2 4.01Å; Q257-W323 HydrophobicContact CG-CE3 3.78Å; Q257-W323 HydrophobicContact CG-CH2 3.6Å; Q257-W323 HydrophobicContact CG-CZ2 3.84Å; Q257-W323 HydrophobicContact CG-CZ3 3.55Å; W323-Y325 HydrophobicContact CB-CE2 4.21Å; W323-Y325 AromaticContact CD1-CD1 3.44Å; W323-Y325 VanDerWaalsContact CD1-CD1 3.44Å; W323-Y325 AromaticContact CD1-CD2 3.68Å; W323-Y325 AromaticContact CD1-CE1 3.18Å; W323-Y325 AromaticContact CD1-CE2 3.47Å; W323-Y325 VanDerWaalsContact CD1-CE2 3.47Å; W323-Y325 AromaticContact CD1-CG 3.68Å; W323-Y325 AromaticContact CD1-CZ 3.21Å; W323-Y325 HydrophobicContact CG-CE1 4.13Å; W323-Y325 HydrophobicContact CG-CE2 4.1Å; W323-Y325 AromaticContact CG-CZ 3.84Å; W323-Y325 AromaticContact NE1-CD1 3.45Å; W323-Y325 AromaticContact NE1-CE1 3.26Å; W323-Y325 VanDerWaalsContact NE1-CE1 3.26Å; W323-Y325 AromaticContact NE1-CZ 3.79Å
324K98.3Very high96.4Very high167 Ų16768 Ų6873%0.72635%0.351SS*.PPolyproline II helixtrans-98.5117.4174.8-67-179.5-178.81770110.4Q257 E322Q257-K324 PolarHBondContact NE2-O 2.86Å; E322-K324 PolarHBondContact O-N 3.2Å
325Y98.1Very high97.3Very high101 Ų10160.6 Ų60.640%0.39631%0.312SS..PPolyproline II helixtrans-93.2149.9176.4-64.8-76.8000111.7N210 V213 W323N210-Y325 VanDerWaalsContact CA-CE1 3.42Å; N210-Y325 HydrophobicContact CB-CD1 4.36Å; N210-Y325 HydrophobicContact CB-CE1 3.63Å; V213-Y325 WeakPolarHBondContact CB-OH 3.44Å; V213-Y325 HydrophobicContact CG2-CE1 4.12Å; W323-Y325 HydrophobicContact CB-CE2 4.21Å; W323-Y325 AromaticContact CD1-CD1 3.44Å; W323-Y325 VanDerWaalsContact CD1-CD1 3.44Å; W323-Y325 AromaticContact CD1-CD2 3.68Å; W323-Y325 AromaticContact CD1-CE1 3.18Å; W323-Y325 AromaticContact CD1-CE2 3.47Å; W323-Y325 VanDerWaalsContact CD1-CE2 3.47Å; W323-Y325 AromaticContact CD1-CG 3.68Å; W323-Y325 AromaticContact CD1-CZ 3.21Å; W323-Y325 HydrophobicContact CG-CE1 4.13Å; W323-Y325 HydrophobicContact CG-CE2 4.1Å; W323-Y325 AromaticContact CG-CZ 3.84Å; W323-Y325 AromaticContact NE1-CD1 3.45Å; W323-Y325 AromaticContact NE1-CE1 3.26Å; W323-Y325 VanDerWaalsContact NE1-CE1 3.26Å; W323-Y325 AromaticContact NE1-CZ 3.79Å
326H98.4Very high98Very high67 Ų6759.4 Ų59.431%0.3130%0.303SS..PPolyproline II helixtrans-79147.4167.1-73.2-55.8000110.8Q260 E330 E331Q260-H326 PolarHBondContact OE1-CD2 3.4Å; H326-E330 WeakPolarHBondContact CA-OE2 3.19Å; H326-E330 HydrophobicContact CB-CB 3.91Å; H326-E330 IonicContact CG-OE2 3.23Å; H326-E330 IonicContact ND1-OE2 3.46Å; H326-E330 PolarHBondContact ND1-OE2 3.39Å; H326-E330 VanDerWaalsContact ND1-OE2 3.15Å; H326-E331 HydrophobicContact CB-CG 3.76Å
327S98.4Very high98.3Very high39 Ų3954.4 Ų54.427%0.27327%0.27SS..PPolyproline II helixtrans-66.9159.8165.292.30000110.1E329 E330 E331S327-E329 WeakPolarHBondContact CB-OE2 3.5Å; S327-E329 PolarHBondContact O-N 2.74Å; S327-E329 PolarHBondContact OG-N 3.37Å; S327-E329 PolarHBondContact OG-OE2 3.06Å; S327-E330 PolarHBondContact N-OE2 2.74Å; S327-E330 VanDerWaalsContact N-OE2 3.15Å; S327-E330 WeakPolarHBondContact O-CB 3.16Å; S327-E330 PolarHBondContact O-N 3.46Å; S327-E330 PolarHBondContact OG-N 3.01Å; S327-E331 PolarHBondContact O-N 3.33Å
328P98.5Very high98.5Very high36 Ų3651.8 Ų51.823%0.23425%0.254CS..Hα-helixtrans-56.4-37.4175.6-25.435.2000113.5R207 E331 I332R207-P328 HydrophobicContact CG-CB 4.38Å; R207-P328 HydrophobicContact CG-CG 4.14Å; P328-E331 PolarHBondContact O-N 3.48Å; P328-I332 WeakPolarHBondContact O-CD1 3.35Å; P328-I332 VanDerWaalsContact O-CG1 3.25Å; P328-I332 WeakPolarHBondContact O-CG1 3.29Å; P328-I332 PolarHBondContact O-N 3.39Å
329E98.6Very high98.6Very high52 Ų5250.4 Ų50.424%0.24325%0.245CC..Hα-helixtrans-69.1-36.1176.5-54.276.4-16800111.6S327 I332 S333 A549 F553S327-E329 WeakPolarHBondContact CB-OE2 3.5Å; S327-E329 PolarHBondContact O-N 2.74Å; S327-E329 PolarHBondContact OG-N 3.37Å; S327-E329 PolarHBondContact OG-OE2 3.06Å; E329-I332 PolarHBondContact O-N 2.86Å; E329-S333 WeakPolarHBondContact O-CB 3.21Å; E329-S333 PolarHBondContact O-N 3.48Å; E329-A549 HydrophobicContact CG-CB 4.31Å; E329-F553 HydrophobicContact CB-CB 3.73Å; E329-F553 HydrophobicContact CB-CD1 4.04Å; E329-F553 HydrophobicContact CB-CD2 3.96Å; E329-F553 HydrophobicContact CB-CG 3.65Å; E329-F553 HydrophobicContact CG-CB 3.97Å; E329-F553 HydrophobicContact CG-CG 4.39Å
330E98.7Very high98.6Very high53 Ų5343.5 Ų43.525%0.24821%0.212CC..Hα-helixtrans-66.2-45172.1-71.5-176.1150.300111.6H326 S327 I332 S333 L334 F553H326-E330 WeakPolarHBondContact CA-OE2 3.19Å; H326-E330 HydrophobicContact CB-CB 3.91Å; H326-E330 IonicContact CG-OE2 3.23Å; H326-E330 IonicContact ND1-OE2 3.46Å; H326-E330 PolarHBondContact ND1-OE2 3.39Å; H326-E330 VanDerWaalsContact ND1-OE2 3.15Å; S327-E330 PolarHBondContact N-OE2 2.74Å; S327-E330 VanDerWaalsContact N-OE2 3.15Å; S327-E330 WeakPolarHBondContact O-CB 3.16Å; S327-E330 PolarHBondContact O-N 3.46Å; S327-E330 PolarHBondContact OG-N 3.01Å; E330-I332 VanDerWaalsContact C-N 3.3Å; E330-I332 PolarHBondContact O-N 2.95Å; E330-S333 WeakPolarHBondContact CA-OG 3.32Å; E330-S333 PolarHBondContact O-N 3.19Å; E330-S333 PolarHBondContact O-OG 3.28Å; E330-L334 WeakPolarHBondContact O-CB 3.33Å; E330-L334 VanDerWaalsContact O-CG 3.3Å; E330-L334 WeakPolarHBondContact O-CG 3.38Å; E330-L334 PolarHBondContact O-N 3.37Å; E330-F553 HydrophobicContact CG-CE2 4.08Å; E330-F553 HydrophobicContact CG-CZ 3.82Å
331E98.8Very high98.6Very high7 Ų740.3 Ų40.33%0.03319%0.191CC..Hα-helixtrans-56.6-44.4174.1-70.3-167.6155.100111.1H204 L206 R207 Q260 F261 H326 S327 P328 L334 G335H204-E331 IonicContact NE2-OE2 3.8Å; L206-E331 HydrophobicContact CD1-CB 3.72Å; L206-E331 WeakPolarHBondContact CD1-OE2 3.32Å; R207-E331 PolarHBondContact N-OE2 3.05Å; Q260-E331 PolarHBondContact NE2-OE1 3.03Å; Q260-E331 VanDerWaalsContact NE2-OE1 3.07Å; F261-E331 HydrophobicContact CE2-CB 4.23Å; F261-E331 HydrophobicContact CE2-CG 4.12Å; F261-E331 HydrophobicContact CZ-CB 4.35Å; F261-E331 HydrophobicContact CZ-CG 4.43Å; H326-E331 HydrophobicContact CB-CG 3.76Å; S327-E331 PolarHBondContact O-N 3.33Å; P328-E331 PolarHBondContact O-N 3.48Å; E331-L334 PolarHBondContact O-N 2.8Å; E331-G335 PolarHBondContact O-N 2.87Å
332I98.8Very high98.6Very high3 Ų337 Ų372%0.01517%0.174CC..Hα-helixtrans-64.1-40.3174.6-68.1164.3000111.3L206 P328 E329 E330 L334 P336 L368 I542 D546 F550L206-I332 HydrophobicContact CD1-CD1 4.45Å; L206-I332 HydrophobicContact CD1-CG1 3.8Å; L206-I332 HydrophobicContact CD2-CD1 4.23Å; L206-I332 HydrophobicContact CD2-CG1 4.28Å; P328-I332 WeakPolarHBondContact O-CD1 3.35Å; P328-I332 VanDerWaalsContact O-CG1 3.25Å; P328-I332 WeakPolarHBondContact O-CG1 3.29Å; P328-I332 PolarHBondContact O-N 3.39Å; E329-I332 PolarHBondContact O-N 2.86Å; E330-I332 VanDerWaalsContact C-N 3.3Å; E330-I332 PolarHBondContact O-N 2.95Å; I332-L334 VanDerWaalsContact C-N 3.26Å; I332-L334 PolarHBondContact O-N 3.15Å; I332-P336 VanDerWaalsContact O-CD 3.24Å; I332-P336 WeakPolarHBondContact O-CD 3.35Å; I332-P336 WeakPolarHBondContact O-CG 3.44Å; I332-L368 HydrophobicContact CG2-CD2 4.37Å; I332-L368 WeakPolarHBondContact O-CD2 3.47Å; I332-I542 HydrophobicContact CD1-CG2 4.04Å; I332-I542 HydrophobicContact CG1-CD1 4.36Å; I332-I542 HydrophobicContact CG1-CG2 4.46Å; I332-I542 HydrophobicContact CG2-CD1 3.92Å; I332-D546 HydrophobicContact CD1-CB 3.79Å; I332-F550 HydrophobicContact CB-CB 4.46Å; I332-F550 HydrophobicContact CB-CD2 4.12Å; I332-F550 HydrophobicContact CB-CG 4.28Å; I332-F550 HydrophobicContact CD1-CB 4.32Å; I332-F550 HydrophobicContact CG2-CB 3.91Å; I332-F550 HydrophobicContact CG2-CD1 3.79Å; I332-F550 HydrophobicContact CG2-CD2 3.62Å; I332-F550 HydrophobicContact CG2-CE1 4.22Å; I332-F550 HydrophobicContact CG2-CE2 4.08Å; I332-F550 HydrophobicContact CG2-CG 3.46Å; I332-F550 VanDerWaalsContact CG2-CG 3.46Å; I332-F550 HydrophobicContact CG2-CZ 4.35Å
333S98.8Very high98.7Very high8 Ų830.5 Ų30.56%0.05614%0.144CC..Hα-helixtrans-68.5-25.4-179.6800000113.4E329 E330 A337 S371E329-S333 WeakPolarHBondContact O-CB 3.21Å; E329-S333 PolarHBondContact O-N 3.48Å; E330-S333 WeakPolarHBondContact CA-OG 3.32Å; E330-S333 PolarHBondContact O-N 3.19Å; E330-S333 PolarHBondContact O-OG 3.28Å; S333-A337 VanDerWaalsContact O-CB 3.23Å; S333-A337 WeakPolarHBondContact O-CB 3.25Å; S333-S371 WeakPolarHBondContact O-CB 3.18Å; S333-S371 PolarHBondContact O-OG 2.94Å
334L98.9Very high98.7Very high20 Ų2029 Ų2911%0.10514%0.138CC..Hα-helixtrans-103.8-50.6-172-67172.8000113.1F261 E330 E331 I332 A337 C338 Q375F261-L334 HydrophobicContact CB-CB 3.72Å; F261-L334 HydrophobicContact CD2-CB 3.5Å; F261-L334 VanDerWaalsContact CD2-CB 3.5Å; F261-L334 HydrophobicContact CD2-CD1 3.95Å; F261-L334 HydrophobicContact CD2-CG 4.38Å; F261-L334 HydrophobicContact CE2-CB 4.25Å; F261-L334 HydrophobicContact CG-CB 3.69Å; E330-L334 WeakPolarHBondContact O-CB 3.33Å; E330-L334 VanDerWaalsContact O-CG 3.3Å; E330-L334 WeakPolarHBondContact O-CG 3.38Å; E330-L334 PolarHBondContact O-N 3.37Å; E331-L334 PolarHBondContact O-N 2.8Å; I332-L334 VanDerWaalsContact C-N 3.26Å; I332-L334 PolarHBondContact O-N 3.15Å; L334-A337 WeakPolarHBondContact O-CB 3.49Å; L334-A337 PolarHBondContact O-N 3.37Å; L334-C338 PolarHBondContact O-N 3.3Å; L334-C338 PolarHBondContact O-SG 2.88Å; L334-C338 VanDerWaalsContact O-SG 3.42Å; L334-Q375 HydrophobicContact CD2-CG 4.27Å
335G98.8Very high98.7Very high0 Ų022.6 Ų22.60%011%0.109CC..Hα-helixtrans-61.2-62.3-172.500000113.7E331 A337 C338 W339 Y657E331-G335 PolarHBondContact O-N 2.87Å; G335-A337 PolarHBondContact O-N 2.69Å; G335-C338 PolarHBondContact O-N 2.96Å; G335-W339 WeakPolarHBondContact O-CB 3.49Å; G335-W339 PolarHBondContact O-N 3.35Å; G335-Y657 WeakPolarHBondContact CA-OH 3.44Å
336P98.9Very high98.7Very high1 Ų119 Ų191%0.00610%0.095CC..Hα-helixtrans-55-31.6172.8-24.630.9000114I332 W339 L340 L368 P538 I542 Y657I332-P336 VanDerWaalsContact O-CD 3.24Å; I332-P336 WeakPolarHBondContact O-CD 3.35Å; I332-P336 WeakPolarHBondContact O-CG 3.44Å; P336-W339 PolarHBondContact O-N 3Å; P336-L340 WeakPolarHBondContact O-CB 3.47Å; P336-L340 VanDerWaalsContact O-CG 3.27Å; P336-L340 WeakPolarHBondContact O-CG 3.26Å; P336-L340 PolarHBondContact O-N 3.46Å; P336-L368 HydrophobicContact CB-CD1 3.73Å; P336-L368 HydrophobicContact CB-CD2 4.05Å; P336-L368 HydrophobicContact CB-CG 4.43Å; P336-L368 HydrophobicContact CG-CD1 4.39Å; P336-L368 HydrophobicContact CG-CD2 4.42Å; P336-P538 HydrophobicContact CB-CB 4.28Å; P336-I542 HydrophobicContact CG-CD1 4.22Å; P336-Y657 HydrophobicContact CB-CD2 4.5Å; P336-Y657 HydrophobicContact CB-CG 4.43Å; P336-Y657 HydrophobicContact CG-CD1 3.83Å; P336-Y657 HydrophobicContact CG-CD2 4.49Å; P336-Y657 HydrophobicContact CG-CE1 3.71Å; P336-Y657 HydrophobicContact CG-CE2 4.35Å; P336-Y657 HydrophobicContact CG-CG 4.24Å
337A98.9Very high98.7Very high1 Ų117.7 Ų17.71%0.0089%0.093CC..Hα-helixtrans-70-46.7178.100000112.3S333 L334 G335 W339 L340 W341 M372S333-A337 VanDerWaalsContact O-CB 3.23Å; S333-A337 WeakPolarHBondContact O-CB 3.25Å; L334-A337 WeakPolarHBondContact O-CB 3.49Å; L334-A337 PolarHBondContact O-N 3.37Å; G335-A337 PolarHBondContact O-N 2.69Å; A337-W339 VanDerWaalsContact C-N 3.28Å; A337-W339 PolarHBondContact O-N 2.83Å; A337-L340 PolarHBondContact O-N 2.88Å; A337-W341 PolarHBondContact O-N 2.94Å; A337-W341 VanDerWaalsContact O-N 3.09Å; A337-M372 HydrophobicContact CB-CB 4.06Å; A337-M372 WeakPolarHBondContact O-CG 3.31Å
338C98.9Very high98.7Very high1 Ų124.2 Ų24.21%0.00712%0.12CC..Hα-helixtrans-64-35.7173-680000111.6Y241 L263 L334 G335 W341 D342Y241-C338 HydrophobicContact CD2-CB 4.49Å; Y241-C338 HydrophobicContact CE2-CB 3.47Å; Y241-C338 VanDerWaalsContact CE2-CB 3.47Å; Y241-C338 WeakPolarHBondContact OH-CB 3.39Å; L263-C338 HydrophobicContact CD2-CB 4.23Å; L334-C338 PolarHBondContact O-N 3.3Å; L334-C338 PolarHBondContact O-SG 2.88Å; L334-C338 VanDerWaalsContact O-SG 3.42Å; G335-C338 PolarHBondContact O-N 2.96Å; C338-W341 WeakPolarHBondContact O-CB 3.29Å; C338-W341 PolarHBondContact O-N 3.48Å; C338-D342 PolarHBondContact O-N 3.05Å; C338-D342 VanDerWaalsContact O-N 3.09Å
339W98.9Very high98.7Very high1 Ų125.7 Ų25.70%0.00412%0.123CC..Hα-helixtrans-62.9-45.4174.2-176.278.5000112.6D238 Y241 G335 P336 A337 W341 D342 F343 I536 P538 Y657D238-W339 PolarHBondContact O-NE1 2.94Å; Y241-W339 HydrophobicContact CD2-CB 3.79Å; Y241-W339 HydrophobicContact CD2-CG 4.48Å; Y241-W339 HydrophobicContact CG-CB 4.42Å; G335-W339 WeakPolarHBondContact O-CB 3.49Å; G335-W339 PolarHBondContact O-N 3.35Å; P336-W339 PolarHBondContact O-N 3Å; A337-W339 VanDerWaalsContact C-N 3.28Å; A337-W339 PolarHBondContact O-N 2.83Å; W339-W341 VanDerWaalsContact C-N 3.29Å; W339-W341 PolarHBondContact O-N 2.76Å; W339-D342 PolarHBondContact O-N 3.42Å; W339-F343 AromaticContact CD2-CD2 3.81Å; W339-F343 HydrophobicContact CD2-CD2 3.81Å; W339-F343 HydrophobicContact CD2-CE2 4.02Å; W339-F343 AromaticContact CE2-CD2 3.45Å; W339-F343 VanDerWaalsContact CE2-CD2 3.45Å; W339-F343 AromaticContact CE2-CE2 3.16Å; W339-F343 HydrophobicContact CE3-CD2 4.34Å; W339-F343 HydrophobicContact CG-CD2 4.24Å; W339-F343 HydrophobicContact CH2-CD2 4.26Å; W339-F343 HydrophobicContact CH2-CE2 4.03Å; W339-F343 AromaticContact CZ2-CD2 3.69Å; W339-F343 HydrophobicContact CZ2-CD2 3.69Å; W339-F343 AromaticContact CZ2-CE2 3.16Å; W339-F343 HydrophobicContact CZ2-CE2 3.16Å; W339-F343 AromaticContact CZ2-CZ 3.81Å; W339-F343 HydrophobicContact CZ2-CZ 3.81Å; W339-F343 AromaticContact NE1-CD2 3.69Å; W339-F343 AromaticContact NE1-CE2 3.26Å; W339-F343 VanDerWaalsContact NE1-CE2 3.26Å; W339-F343 PolarHBondContact O-N 3.2Å; W339-I536 HydrophobicContact CH2-CB 3.87Å; W339-I536 HydrophobicContact CH2-CD1 4.42Å; W339-I536 HydrophobicContact CH2-CG2 4.19Å; W339-I536 HydrophobicContact CZ3-CB 4.29Å; W339-I536 HydrophobicContact CZ3-CD1 4.24Å; W339-P538 HydrophobicContact CE3-CB 4.31Å; W339-P538 HydrophobicContact CZ3-CB 4.11Å; W339-Y657 HydrophobicContact CB-CD2 3.73Å; W339-Y657 HydrophobicContact CB-CE2 3.85Å; W339-Y657 AromaticContact CD1-CD2 3.99Å; W339-Y657 AromaticContact CD2-CD2 3.75Å; W339-Y657 HydrophobicContact CD2-CD2 3.75Å; W339-Y657 HydrophobicContact CD2-CG 4.5Å; W339-Y657 HydrophobicContact CE3-CD2 4.16Å; W339-Y657 AromaticContact CG-CD2 3.57Å; W339-Y657 HydrophobicContact CG-CD2 3.57Å; W339-Y657 HydrophobicContact CG-CE2 4.09Å
340L98.9Very high98.7Very high0 Ų024 Ų240%012%0.119CC..Hα-helixtrans-61.2-37.7174.4-75.3167.9000112.1P336 A337 F343 L344 F352 L368 V369 M372 L513 I536 P538P336-L340 WeakPolarHBondContact O-CB 3.47Å; P336-L340 VanDerWaalsContact O-CG 3.27Å; P336-L340 WeakPolarHBondContact O-CG 3.26Å; P336-L340 PolarHBondContact O-N 3.46Å; A337-L340 PolarHBondContact O-N 2.88Å; L340-F343 PolarHBondContact O-N 3.25Å; L340-L344 WeakPolarHBondContact O-CB 3.36Å; L340-L344 PolarHBondContact O-N 3.4Å; L340-F352 HydrophobicContact CB-CZ 4.19Å; L340-F352 HydrophobicContact CD2-CE1 4.06Å; L340-F352 HydrophobicContact CD2-CZ 4.03Å; L340-L368 HydrophobicContact CD1-CB 4.13Å; L340-V369 HydrophobicContact CD1-CG2 4.14Å; L340-M372 HydrophobicContact CB-SD 3.81Å; L340-L513 HydrophobicContact CD2-CD2 3.84Å; L340-I536 HydrophobicContact CD2-CD1 3.85Å; L340-P538 HydrophobicContact CD1-CB 3.94Å; L340-P538 HydrophobicContact CD1-CG 4.14Å; L340-P538 HydrophobicContact CD2-CB 4.13Å; L340-P538 HydrophobicContact CD2-CG 4.28Å; L340-P538 HydrophobicContact CG-CB 4.07Å
341W98.9Very high98.7Very high4 Ų421.5 Ų21.52%0.01511%0.107CC..Hα-helixtrans-61.8-49.2176.3175.2-108.6000112L263 A337 C338 W339 F343 L344 R345 M372 V376 V387 D390 V391 I394L263-W341 HydrophobicContact CD1-CG 4.38Å; L263-W341 HydrophobicContact CD2-CB 4.06Å; L263-W341 HydrophobicContact CD2-CG 3.89Å; A337-W341 PolarHBondContact O-N 2.94Å; A337-W341 VanDerWaalsContact O-N 3.09Å; C338-W341 WeakPolarHBondContact O-CB 3.29Å; C338-W341 PolarHBondContact O-N 3.48Å; W339-W341 VanDerWaalsContact C-N 3.29Å; W339-W341 PolarHBondContact O-N 2.76Å; W341-F343 VanDerWaalsContact C-N 3.35Å; W341-F343 PolarHBondContact O-N 2.56Å; W341-L344 PolarHBondContact O-N 2.89Å; W341-R345 WeakPolarHBondContact O-CG 3.4Å; W341-R345 PolarHBondContact O-N 3.39Å; W341-M372 HydrophobicContact CB-CG 3.88Å; W341-M372 HydrophobicContact CB-SD 4.03Å; W341-M372 HydrophobicContact CE3-SD 4.39Å; W341-M372 PolarHBondContact N-SD 3.47Å; W341-M372 VanDerWaalsContact N-SD 3.44Å; W341-V376 HydrophobicContact CD2-CG2 3.91Å; W341-V376 HydrophobicContact CE3-CG2 3.53Å; W341-V376 HydrophobicContact CH2-CG2 4.11Å; W341-V376 HydrophobicContact CZ2-CG2 4.4Å; W341-V376 HydrophobicContact CZ3-CG2 3.66Å; W341-V387 HydrophobicContact CZ2-CG1 3.96Å; W341-D390 HydrophobicContact CH2-CB 3.97Å; W341-D390 HydrophobicContact CZ2-CB 3.63Å; W341-V391 HydrophobicContact CH2-CB 4.44Å; W341-V391 HydrophobicContact CH2-CG2 3.44Å; W341-V391 VanDerWaalsContact CH2-CG2 3.44Å; W341-V391 HydrophobicContact CZ2-CG2 4.29Å; W341-V391 HydrophobicContact CZ3-CG2 4.08Å; W341-I394 HydrophobicContact CH2-CD1 3.73Å; W341-I394 HydrophobicContact CZ3-CD1 3.75Å
342D98.9Very high98.7Very high4 Ų421.2 Ų21.22%0.02111%0.105CC..Hα-helixtrans-63-41.7177.5-76.6-21.4000111.5N13 G234 C235 C338 W339 L344 R345 R346N13-D342 PolarHBondContact ND2-OD1 3.02Å; N13-D342 PolarHBondContact ND2-OD2 2.82Å; G234-D342 VanDerWaalsContact CA-OD2 3.23Å; G234-D342 WeakPolarHBondContact CA-OD2 3.45Å; C235-D342 HydrophobicContact CB-CB 3.69Å; C235-D342 PolarHBondContact N-OD2 3.43Å; C338-D342 PolarHBondContact O-N 3.05Å; C338-D342 VanDerWaalsContact O-N 3.09Å; W339-D342 PolarHBondContact O-N 3.42Å; D342-L344 PolarHBondContact O-N 3Å; D342-R345 IonicContact OD1-CZ 2.93Å; D342-R345 VanDerWaalsContact OD1-CZ 3.22Å; D342-R345 IonicContact OD1-NE 2.78Å; D342-R345 PolarHBondContact OD1-NE 2.86Å; D342-R345 IonicContact OD1-NH2 2.77Å; D342-R345 PolarHBondContact OD1-NH2 2.9Å; D342-R346 WeakPolarHBondContact O-CB 3.27Å; D342-R346 VanDerWaalsContact O-CG 3.23Å; D342-R346 WeakPolarHBondContact O-CG 3.48Å; D342-R346 PolarHBondContact O-N 3.42Å
343F98.7Very high98.7Very high43 Ų4321 Ų2119%0.18911%0.105CC..Hα-helixtrans-58.8-45.9173.6-102.4-83.4000112.2C235 D238 W339 L340 W341 S347 I536C235-F343 WeakPolarHBondContact SG-CE2 3.48Å; D238-F343 VanDerWaalsContact O-CE2 3.25Å; D238-F343 WeakPolarHBondContact O-CE2 3.36Å; D238-F343 WeakPolarHBondContact O-CZ 3.25Å; W339-F343 AromaticContact CD2-CD2 3.81Å; W339-F343 HydrophobicContact CD2-CD2 3.81Å; W339-F343 HydrophobicContact CD2-CE2 4.02Å; W339-F343 AromaticContact CE2-CD2 3.45Å; W339-F343 VanDerWaalsContact CE2-CD2 3.45Å; W339-F343 AromaticContact CE2-CE2 3.16Å; W339-F343 HydrophobicContact CE3-CD2 4.34Å; W339-F343 HydrophobicContact CG-CD2 4.24Å; W339-F343 HydrophobicContact CH2-CD2 4.26Å; W339-F343 HydrophobicContact CH2-CE2 4.03Å; W339-F343 AromaticContact CZ2-CD2 3.69Å; W339-F343 HydrophobicContact CZ2-CD2 3.69Å; W339-F343 AromaticContact CZ2-CE2 3.16Å; W339-F343 HydrophobicContact CZ2-CE2 3.16Å; W339-F343 AromaticContact CZ2-CZ 3.81Å; W339-F343 HydrophobicContact CZ2-CZ 3.81Å; W339-F343 AromaticContact NE1-CD2 3.69Å; W339-F343 AromaticContact NE1-CE2 3.26Å; W339-F343 VanDerWaalsContact NE1-CE2 3.26Å; W339-F343 PolarHBondContact O-N 3.2Å; L340-F343 PolarHBondContact O-N 3.25Å; W341-F343 VanDerWaalsContact C-N 3.35Å; W341-F343 PolarHBondContact O-N 2.56Å; F343-S347 WeakPolarHBondContact O-CB 3.34Å; F343-S347 PolarHBondContact O-N 3.37Å; F343-S347 PolarHBondContact O-OG 3.28Å; F343-I536 HydrophobicContact CB-CD1 4.04Å; F343-I536 HydrophobicContact CD1-CD1 4.07Å; F343-I536 HydrophobicContact CD1-CG2 3.98Å; F343-I536 HydrophobicContact CE1-CG2 3.72Å; F343-I536 HydrophobicContact CG-CD1 3.97Å; F343-I536 HydrophobicContact CZ-CG2 4.19Å
344L98.8Very high98.7Very high1 Ų120.7 Ų20.71%0.00510%0.102CC..Hα-helixtrans-63.9-53-178.3-177.258.7000111.5L340 W341 D342 R346 S347 Q348 Q349 F352 I394 I412L340-L344 WeakPolarHBondContact O-CB 3.36Å; L340-L344 PolarHBondContact O-N 3.4Å; W341-L344 PolarHBondContact O-N 2.89Å; D342-L344 PolarHBondContact O-N 3Å; L344-R346 PolarHBondContact O-N 3.35Å; L344-S347 PolarHBondContact O-OG 3.13Å; L344-S347 VanDerWaalsContact O-OG 3.13Å; L344-Q348 PolarHBondContact O-N 2.81Å; L344-Q349 HydrophobicContact CD1-CB 4.37Å; L344-Q349 WeakPolarHBondContact CD1-O 3.38Å; L344-F352 HydrophobicContact CB-CE2 4.1Å; L344-F352 HydrophobicContact CB-CZ 3.75Å; L344-F352 HydrophobicContact CD1-CE2 4.33Å; L344-F352 HydrophobicContact CD1-CZ 4.28Å; L344-F352 HydrophobicContact CD2-CD2 4.49Å; L344-F352 HydrophobicContact CD2-CE2 3.82Å; L344-F352 HydrophobicContact CD2-CZ 4.33Å; L344-F352 HydrophobicContact CG-CE2 4.31Å; L344-F352 HydrophobicContact CG-CZ 4.34Å; L344-I394 HydrophobicContact CD2-CD1 4.11Å; L344-I394 HydrophobicContact CD2-CG2 4.17Å; L344-I394 HydrophobicContact CG-CD1 4.02Å; L344-I394 HydrophobicContact CG-CG2 4.41Å; L344-I412 HydrophobicContact CD2-CD1 4.48Å
345R98.5Very high98.7Very high32 Ų3220.5 Ų20.512%0.12110%0.102CC..Hα-helixtrans-67.6-35.9-175.776.5-165.7-177.597.5-8.3112.7N13 D265 W341 D342 D390 I394N13-R345 PolarHBondContact ND2-NH2 3.45Å; D265-R345 IonicContact OD1-CZ 3.62Å; D265-R345 IonicContact OD1-NH1 3.06Å; D265-R345 IonicContact OD1-NH2 3.61Å; D265-R345 PolarHBondContact OD1-NH2 3.45Å; D265-R345 IonicContact OD2-NH1 3.62Å; D265-R345 IonicContact OD2-NH2 3.68Å; W341-R345 WeakPolarHBondContact O-CG 3.4Å; W341-R345 PolarHBondContact O-N 3.39Å; D342-R345 IonicContact OD1-CZ 2.93Å; D342-R345 VanDerWaalsContact OD1-CZ 3.22Å; D342-R345 IonicContact OD1-NE 2.78Å; D342-R345 PolarHBondContact OD1-NE 2.86Å; D342-R345 IonicContact OD1-NH2 2.77Å; D342-R345 PolarHBondContact OD1-NH2 2.9Å; R345-D390 HydrophobicContact CB-CB 4.46Å; R345-D390 WeakPolarHBondContact CD-OD2 3.07Å; R345-D390 IonicContact NH1-OD2 3.77Å; R345-I394 HydrophobicContact CB-CD1 4.13Å
346R98.6Very high98.7Very high25 Ų2520.6 Ų20.69%0.09410%0.103CC..Hα-helixtrans-83.1-30-177.7-64.1175.6-178.3-158.8-12.1112.9N13 Q14 W15 C235 D342 L344 Q348N13-R346 PolarHBondContact O-NH2 3.12Å; N13-R346 PolarHBondContact OD1-NH1 3.02Å; N13-R346 PolarHBondContact OD1-NH2 3.22Å; Q14-R346 PolarHBondContact O-NH1 2.98Å; W15-R346 HydrophobicContact CD2-CG 4.33Å; W15-R346 HydrophobicContact CE3-CG 4.23Å; W15-R346 HydrophobicContact CH2-CB 3.87Å; W15-R346 HydrophobicContact CH2-CG 4.28Å; W15-R346 HydrophobicContact CZ2-CB 3.86Å; W15-R346 HydrophobicContact CZ2-CG 4.4Å; W15-R346 HydrophobicContact CZ3-CB 4.29Å; W15-R346 HydrophobicContact CZ3-CG 4.2Å; C235-R346 PolarHBondContact O-NH1 3.14Å; D342-R346 WeakPolarHBondContact O-CB 3.27Å; D342-R346 VanDerWaalsContact O-CG 3.23Å; D342-R346 WeakPolarHBondContact O-CG 3.48Å; D342-R346 PolarHBondContact O-N 3.42Å; L344-R346 PolarHBondContact O-N 3.35Å; R346-Q348 PolarHBondContact O-N 2.87Å
347S98.4Very high98.5Very high40 Ų4023.7 Ų23.728%0.2812%0.124SC..Hα-helixtrans-74.8-11.617466.60000113.7F343 L344 Q349F343-S347 WeakPolarHBondContact O-CB 3.34Å; F343-S347 PolarHBondContact O-N 3.37Å; F343-S347 PolarHBondContact O-OG 3.28Å; L344-S347 PolarHBondContact O-OG 3.13Å; L344-S347 VanDerWaalsContact O-OG 3.13Å; S347-Q349 PolarHBondContact O-N 2.97Å; S347-Q349 VanDerWaalsContact O-N 3.13Å; S347-Q349 WeakPolarHBondContact OG-CG 3.34Å; S347-Q349 PolarHBondContact OG-N 2.75Å
348Q97.9Very high98.3Very high177 Ų17723.7 Ų23.783%0.82713%0.125SC*.THydrogen-bonded Turntrans56.225.2-175.8-56.2179.6-29.600113.1L344 R346L344-Q348 PolarHBondContact O-N 2.81Å; R346-Q348 PolarHBondContact O-N 2.87Å
349Q98.1Very high98.2Very high66 Ų6625 Ų2531%0.30814%0.138SC..  trans-81.3157.8174.1-65.2-56.6-46.900111.1L344 S347 G351 G509 L511L344-Q349 HydrophobicContact CD1-CB 4.37Å; L344-Q349 WeakPolarHBondContact CD1-O 3.38Å; S347-Q349 PolarHBondContact O-N 2.97Å; S347-Q349 VanDerWaalsContact O-N 3.13Å; S347-Q349 WeakPolarHBondContact OG-CG 3.34Å; S347-Q349 PolarHBondContact OG-N 2.75Å; Q349-G351 VanDerWaalsContact C-N 3.35Å; Q349-G509 PolarHBondContact OE1-O 3.2Å; Q349-L511 HydrophobicContact CB-CD1 4.39Å; Q349-L511 HydrophobicContact CB-CG 3.98Å; Q349-L511 HydrophobicContact CG-CD1 4.36Å; Q349-L511 HydrophobicContact CG-CD2 3.78Å; Q349-L511 HydrophobicContact CG-CG 3.77Å
350A97.8Very high98.1Very high18 Ų1825.6 Ų25.615%0.14914%0.142CC..  trans-86.3-7.9-174.300000113.3L501 G509A350-L501 HydrophobicContact CB-CD1 3.46Å; A350-L501 VanDerWaalsContact CB-CD1 3.46Å; A350-G509 PolarHBondContact N-O 3Å
351G98.7Very high98Very high0 Ų026.4 Ų26.40%015%0.146CC..EExtended strand (participates in β ladder)trans161.1-156.3178.800000113Q349 I412 L510 L511Q349-G351 VanDerWaalsContact C-N 3.35Å; G351-I412 CarbonylContact C-O 3.53Å; G351-I412 WeakPolarHBondContact CA-O 3.39Å; G351-L510 VanDerWaalsContact C-CD2 3.5Å; G351-L510 WeakPolarHBondContact O-CA 3.43Å; G351-L511 PolarHBondContact O-N 3.29Å
352F98.9Very high98Very high0 Ų026.4 Ų26.40%015%0.146CC..EExtended strand (participates in β ladder)trans-122.9146.3-177.1-61.7-69.1000112.5L340 L344 V369 M372 I412 L413 T414 L511 L513 I536L340-F352 HydrophobicContact CB-CZ 4.19Å; L340-F352 HydrophobicContact CD2-CE1 4.06Å; L340-F352 HydrophobicContact CD2-CZ 4.03Å; L344-F352 HydrophobicContact CB-CE2 4.1Å; L344-F352 HydrophobicContact CB-CZ 3.75Å; L344-F352 HydrophobicContact CD1-CE2 4.33Å; L344-F352 HydrophobicContact CD1-CZ 4.28Å; L344-F352 HydrophobicContact CD2-CD2 4.49Å; L344-F352 HydrophobicContact CD2-CE2 3.82Å; L344-F352 HydrophobicContact CD2-CZ 4.33Å; L344-F352 HydrophobicContact CG-CE2 4.31Å; L344-F352 HydrophobicContact CG-CZ 4.34Å; F352-V369 HydrophobicContact CD2-CG1 4.37Å; F352-M372 HydrophobicContact CE2-CE 3.94Å; F352-M372 HydrophobicContact CE2-SD 4.14Å; F352-I412 PolarHBondContact N-O 2.9Å; F352-L413 HydrophobicContact CB-CD1 3.92Å; F352-T414 PolarHBondContact O-N 3.07Å; F352-L511 CarbonylContact C-O 3.38Å; F352-L511 WeakPolarHBondContact CA-O 3.41Å; F352-L511 HydrophobicContact CD1-CB 3.81Å; F352-L511 HydrophobicContact CD1-CD1 4.39Å; F352-L511 HydrophobicContact CE1-CB 4.1Å; F352-L511 HydrophobicContact CE1-CD1 3.84Å; F352-L513 HydrophobicContact CB-CD1 3.85Å; F352-L513 HydrophobicContact CB-CG 4.11Å; F352-L513 HydrophobicContact CD1-CD1 3.95Å; F352-L513 HydrophobicContact CD1-CD2 3.57Å; F352-L513 HydrophobicContact CD1-CG 3.81Å; F352-L513 HydrophobicContact CE1-CD2 3.93Å; F352-L513 HydrophobicContact CG-CD1 3.92Å; F352-L513 HydrophobicContact CG-CD2 4.38Å; F352-L513 HydrophobicContact CG-CG 4.21Å; F352-I536 HydrophobicContact CE1-CD1 4.27Å
353L98.9Very high98Very high0 Ų026.2 Ų26.20%015%0.145CC..EExtended strand (participates in β ladder)trans-113.1120.7164.9-176.1-77.1000108.6P355 T414 C416 A493 F496 A497 L510 L511 V512 L513L353-P355 HydrophobicContact CD1-CG 4.18Å; L353-T414 CarbonylContact C-O 3.2Å; L353-T414 WeakPolarHBondContact CA-O 3.37Å; L353-T414 HydrophobicContact CD2-CG2 3.73Å; L353-C416 HydrophobicContact CD2-CB 4.11Å; L353-A493 HydrophobicContact CD1-CB 3.88Å; L353-F496 HydrophobicContact CD2-CB 4.4Å; L353-A497 HydrophobicContact CB-CB 3.93Å; L353-A497 HydrophobicContact CG-CB 4.16Å; L353-L510 HydrophobicContact CB-CB 3.98Å; L353-L510 HydrophobicContact CB-CD1 4.03Å; L353-L511 PolarHBondContact N-O 3.47Å; L353-V512 HydrophobicContact CD1-CG1 4.44Å; L353-V512 WeakPolarHBondContact O-CA 3.04Å; L353-L513 PolarHBondContact O-N 3.27Å
354L98.9Very high98Very high0 Ų024.1 Ų24.10%014%0.136CC..EExtended strand (participates in β ladder)trans-116.8113.5178.317659.6000111.1L356 T365 A366 L413 T414 T415 C416 L513L354-L356 HydrophobicContact CD2-CD1 4.3Å; L354-L356 PolarHBondContact O-N 3.44Å; L354-T365 HydrophobicContact CD1-CG2 3.6Å; L354-T365 HydrophobicContact CD2-CG2 4.05Å; L354-T365 HydrophobicContact CG-CG2 4.47Å; L354-A366 HydrophobicContact CD2-CB 3.76Å; L354-L413 HydrophobicContact CB-CD1 4.01Å; L354-T414 PolarHBondContact N-O 2.97Å; L354-T415 HydrophobicContact CB-CG2 4.45Å; L354-T415 HydrophobicContact CD2-CG2 4.48Å; L354-T415 CarbonylContact O-C 3.56Å; L354-T415 WeakPolarHBondContact O-CA 3.35Å; L354-C416 PolarHBondContact O-N 3.02Å; L354-L513 HydrophobicContact CD1-CB 4Å
355P98.8Very high98Very high17 Ų1724.1 Ų24.111%0.1114%0.136CC..EExtended strand (participates in β ladder)trans-61.1104.8163.6-2336.5000110.2L353 C416 M418 A493 L513 C531L353-P355 HydrophobicContact CD1-CG 4.18Å; P355-C416 CarbonylContact C-O 3.6Å; P355-C416 WeakPolarHBondContact CA-O 3.43Å; P355-M418 HydrophobicContact CB-CE 3.76Å; P355-M418 HydrophobicContact CG-CE 4.2Å; P355-A493 HydrophobicContact CG-CB 3.88Å; P355-L513 WeakPolarHBondContact CD-O 3.25Å; P355-C531 HydrophobicContact CB-CB 4.37Å; P355-C531 HydrophobicContact CG-CB 4.35Å
356L98.5Very high98Very high2 Ų222.6 Ų22.61%0.0113%0.13CC..  trans-101.6112.7-174-171.267.9000109.2L354 A366 T415 C416 Y417 A431 L434 A435L354-L356 HydrophobicContact CD2-CD1 4.3Å; L354-L356 PolarHBondContact O-N 3.44Å; L356-A366 HydrophobicContact CD1-CB 4.27Å; L356-T415 HydrophobicContact CB-CG2 4.49Å; L356-T415 HydrophobicContact CD2-CG2 4.07Å; L356-C416 PolarHBondContact N-O 2.88Å; L356-Y417 WeakPolarHBondContact O-CA 3.45Å; L356-Y417 VanDerWaalsContact O-CD2 3.28Å; L356-Y417 WeakPolarHBondContact O-CD2 3.17Å; L356-A431 HydrophobicContact CD2-CB 4.08Å; L356-A431 VanDerWaalsContact CD2-O 3.29Å; L356-A431 WeakPolarHBondContact CD2-O 3.48Å; L356-A431 HydrophobicContact CG-CB 4.12Å; L356-L434 HydrophobicContact CD1-CD2 4.38Å; L356-A435 HydrophobicContact CD2-CB 4.25Å
357S96.3Very high98Very high65 Ų6521.4 Ų21.446%0.45513%0.126SC..  trans-93-13.6-172.766.60000114.5G359 S362S357-G359 PolarHBondContact OG-N 3.14Å; S357-S362 PolarHBondContact N-OG 3.47Å; S357-S362 PolarHBondContact OG-OG 3.31Å; S357-S362 VanDerWaalsContact OG-OG 3.05Å
358G94.4Very high98Very high2 Ų219.5 Ų19.52%0.02111%0.113CC..SBendtrans77.510.8-168.700000113.8R430G358-R430 PolarHBondContact O-NE 3Å; G358-R430 VanDerWaalsContact O-NE 3.12Å
359G95.3Very high98.1Very high27 Ų2711 Ų1128%0.2787%0.073SC..SBendtrans-102.6168.3168.900000113S357 D361 S362 A363S357-G359 PolarHBondContact OG-N 3.14Å; G359-D361 PolarHBondContact O-N 3.04Å; G359-S362 PolarHBondContact O-OG 2.8Å; G359-A363 WeakPolarHBondContact O-CB 3.36Å; G359-A363 PolarHBondContact O-N 3.41Å; G359-A363 VanDerWaalsContact O-N 3.13Å
360V97.1Very high98.1Very high15 Ų159 Ų99%0.0916%0.063CC..Hα-helixtrans-55-44.8-170.2177.50000113.5A363 A364 R548 V551 I566 L567V360-A363 WeakPolarHBondContact O-CB 3.26Å; V360-A363 PolarHBondContact O-N 2.81Å; V360-A364 WeakPolarHBondContact O-CB 3.24Å; V360-A364 PolarHBondContact O-N 3.22Å; V360-R548 HydrophobicContact CG1-CG 4.07Å; V360-V551 HydrophobicContact CG1-CG2 4.12Å; V360-I566 HydrophobicContact CG2-CG2 4.18Å; V360-L567 HydrophobicContact CG2-CD2 4.26Å
361D97.8Very high98.2Very high16 Ų168.1 Ų8.19%0.0866%0.056CC..Hα-helixtrans-74-43.7-168.2-59.22.1000112.1G359 A363 A364 T365 S515 N517 I539 K544G359-D361 PolarHBondContact O-N 3.04Å; D361-A363 VanDerWaalsContact C-N 3.28Å; D361-A363 PolarHBondContact O-N 3.46Å; D361-A364 PolarHBondContact O-N 2.9Å; D361-T365 PolarHBondContact O-N 2.79Å; D361-T365 PolarHBondContact O-OG1 3.27Å; D361-S515 WeakPolarHBondContact CB-O 3.46Å; D361-N517 PolarHBondContact OD2-ND2 3.23Å; D361-I539 HydrophobicContact CB-CD1 3.75Å; D361-I539 WeakPolarHBondContact O-CD1 3.35Å; D361-K544 WeakPolarHBondContact OD1-CE 3.43Å; D361-K544 IonicContact OD1-NZ 2.74Å; D361-K544 PolarHBondContact OD1-NZ 2.9Å; D361-K544 IonicContact OD2-NZ 2.65Å; D361-K544 PolarHBondContact OD2-NZ 3.14Å
362S98.3Very high98.2Very high4 Ų48.2 Ų8.23%0.0286%0.056CC..Hα-helixtrans-65.9-33.1172.770.30000111.7S357 G359 T365 A366S357-S362 PolarHBondContact N-OG 3.47Å; S357-S362 PolarHBondContact OG-OG 3.31Å; S357-S362 VanDerWaalsContact OG-OG 3.05Å; G359-S362 PolarHBondContact O-OG 2.8Å; S362-T365 PolarHBondContact O-N 3.47Å; S362-A366 PolarHBondContact O-N 3.28Å
363A98.6Very high98.2Very high0 Ų08.2 Ų8.20%06%0.056CC..Hα-helixtrans-67.6-41.3173.500000112.2G359 V360 D361 T365 A366 C367 L434 L563 I566G359-A363 WeakPolarHBondContact O-CB 3.36Å; G359-A363 PolarHBondContact O-N 3.41Å; G359-A363 VanDerWaalsContact O-N 3.13Å; V360-A363 WeakPolarHBondContact O-CB 3.26Å; V360-A363 PolarHBondContact O-N 2.81Å; D361-A363 VanDerWaalsContact C-N 3.28Å; D361-A363 PolarHBondContact O-N 3.46Å; A363-T365 VanDerWaalsContact C-N 3.34Å; A363-T365 PolarHBondContact O-N 3.22Å; A363-A366 WeakPolarHBondContact O-CB 3.32Å; A363-A366 PolarHBondContact O-N 3.17Å; A363-C367 PolarHBondContact O-N 2.75Å; A363-C367 PolarHBondContact O-SG 2.88Å; A363-L434 HydrophobicContact CB-CD2 3.56Å; A363-L563 HydrophobicContact CB-CD2 3.99Å; A363-I566 HydrophobicContact CB-CD1 3.96Å; A363-I566 HydrophobicContact CB-CG2 4.1Å
364A98.8Very high98.2Very high0 Ų09.6 Ų9.60%07%0.065CC..Hα-helixtrans-60.1-45.3173.300000110.8V360 D361 A366 C367 L368 L547 F550 V551V360-A364 WeakPolarHBondContact O-CB 3.24Å; V360-A364 PolarHBondContact O-N 3.22Å; D361-A364 PolarHBondContact O-N 2.9Å; A364-A366 VanDerWaalsContact C-N 3.3Å; A364-A366 PolarHBondContact O-N 2.8Å; A364-C367 WeakPolarHBondContact O-CB 3.49Å; A364-C367 PolarHBondContact O-N 3.33Å; A364-C367 VanDerWaalsContact O-N 3.08Å; A364-L368 WeakPolarHBondContact O-CG 3.43Å; A364-L368 PolarHBondContact O-N 2.93Å; A364-L547 HydrophobicContact CB-CD2 3.83Å; A364-F550 HydrophobicContact CB-CD1 3.99Å; A364-F550 HydrophobicContact CB-CE1 4.04Å; A364-V551 HydrophobicContact CB-CG2 3.72Å
365T98.9Very high98.2Very high0 Ų011.2 Ų11.20%07%0.073CC..Hα-helixtrans-57.9-43.1175.1-54.90000111.6L354 D361 S362 A363 L368 V369 L513 S515 P538L354-T365 HydrophobicContact CD1-CG2 3.6Å; L354-T365 HydrophobicContact CD2-CG2 4.05Å; L354-T365 HydrophobicContact CG-CG2 4.47Å; D361-T365 PolarHBondContact O-N 2.79Å; D361-T365 PolarHBondContact O-OG1 3.27Å; S362-T365 PolarHBondContact O-N 3.47Å; A363-T365 VanDerWaalsContact C-N 3.34Å; A363-T365 PolarHBondContact O-N 3.22Å; T365-L368 PolarHBondContact O-N 3.04Å; T365-V369 PolarHBondContact O-N 3.06Å; T365-L513 HydrophobicContact CG2-CB 4.17Å; T365-L513 HydrophobicContact CG2-CD1 4.04Å; T365-S515 PolarHBondContact OG1-OG 3.28Å; T365-P538 HydrophobicContact CG2-CG 3.78Å
366A98.9Very high98.2Very high0 Ų010.4 Ų10.40%07%0.068CC..Hα-helixtrans-63.3-40.1174.500000112.7L354 L356 S362 A363 A364 L368 V369 Y370 L434 I438L354-A366 HydrophobicContact CD2-CB 3.76Å; L356-A366 HydrophobicContact CD1-CB 4.27Å; S362-A366 PolarHBondContact O-N 3.28Å; A363-A366 WeakPolarHBondContact O-CB 3.32Å; A363-A366 PolarHBondContact O-N 3.17Å; A364-A366 VanDerWaalsContact C-N 3.3Å; A364-A366 PolarHBondContact O-N 2.8Å; A366-L368 VanDerWaalsContact C-N 3.3Å; A366-L368 PolarHBondContact O-N 3.03Å; A366-V369 PolarHBondContact O-N 3.38Å; A366-Y370 PolarHBondContact O-N 2.97Å; A366-L434 HydrophobicContact CB-CD2 4.24Å; A366-I438 HydrophobicContact CB-CD1 3.88Å
367C98.9Very high98.2Very high0 Ų010.4 Ų10.40%07%0.068CC..Hα-helixtrans-63.6-34.7175.7-65.10000112.2A363 A364 Y370 S371 F550 C554A363-C367 PolarHBondContact O-N 2.75Å; A363-C367 PolarHBondContact O-SG 2.88Å; A364-C367 WeakPolarHBondContact O-CB 3.49Å; A364-C367 PolarHBondContact O-N 3.33Å; A364-C367 VanDerWaalsContact O-N 3.08Å; C367-Y370 PolarHBondContact O-N 3.46Å; C367-S371 WeakPolarHBondContact O-CB 3.45Å; C367-S371 PolarHBondContact O-N 3.32Å; C367-F550 HydrophobicContact CB-CE1 3.91Å; C367-F550 HydrophobicContact CB-CZ 3.84Å; C367-C554 HydrophobicContact CB-CB 4.39Å
368L98.9Very high98.3Very high0 Ų013.2 Ų13.20%07%0.072CC..Hα-helixtrans-66.7-42.3175.4-66.6175.5000112.1I332 P336 L340 A364 T365 A366 Y370 S371 M372 P538 I539 F550I332-L368 HydrophobicContact CG2-CD2 4.37Å; I332-L368 WeakPolarHBondContact O-CD2 3.47Å; P336-L368 HydrophobicContact CB-CD1 3.73Å; P336-L368 HydrophobicContact CB-CD2 4.05Å; P336-L368 HydrophobicContact CB-CG 4.43Å; P336-L368 HydrophobicContact CG-CD1 4.39Å; P336-L368 HydrophobicContact CG-CD2 4.42Å; L340-L368 HydrophobicContact CD1-CB 4.13Å; A364-L368 WeakPolarHBondContact O-CG 3.43Å; A364-L368 PolarHBondContact O-N 2.93Å; T365-L368 PolarHBondContact O-N 3.04Å; A366-L368 VanDerWaalsContact C-N 3.3Å; A366-L368 PolarHBondContact O-N 3.03Å; L368-Y370 VanDerWaalsContact C-N 3.3Å; L368-Y370 PolarHBondContact O-N 2.89Å; L368-S371 PolarHBondContact O-N 3.16Å; L368-M372 WeakPolarHBondContact O-CB 3.4Å; L368-M372 PolarHBondContact O-N 3.05Å; L368-P538 HydrophobicContact CD1-CB 3.99Å; L368-P538 HydrophobicContact CD1-CG 4.23Å; L368-I539 HydrophobicContact CD1-CG2 3.48Å; L368-I539 VanDerWaalsContact CD1-CG2 3.48Å; L368-F550 HydrophobicContact CD2-CE1 3.92Å; L368-F550 HydrophobicContact CD2-CE2 4.29Å; L368-F550 HydrophobicContact CD2-CZ 3.55Å; L368-F550 HydrophobicContact CG-CE1 4.06Å; L368-F550 HydrophobicContact CG-CZ 4.08Å
369V98.9Very high98.5Very high0 Ų013.7 Ų13.70%08%0.075CC..Hα-helixtrans-64.5-38174.1-179.30000110.7L340 F352 T365 A366 M372 C373 L413 L513L340-V369 HydrophobicContact CD1-CG2 4.14Å; F352-V369 HydrophobicContact CD2-CG1 4.37Å; T365-V369 PolarHBondContact O-N 3.06Å; A366-V369 PolarHBondContact O-N 3.38Å; V369-M372 HydrophobicContact CG1-CE 4.14Å; V369-M372 WeakPolarHBondContact O-CB 3.42Å; V369-M372 PolarHBondContact O-N 2.9Å; V369-C373 PolarHBondContact O-N 2.9Å; V369-C373 PolarHBondContact O-SG 3.43Å; V369-L413 HydrophobicContact CB-CD2 4.06Å; V369-L413 HydrophobicContact CG1-CB 4Å; V369-L413 HydrophobicContact CG1-CD1 4.23Å; V369-L413 HydrophobicContact CG1-CD2 3.85Å; V369-L413 HydrophobicContact CG1-CG 4.23Å; V369-L413 HydrophobicContact CG2-CD1 4.37Å; V369-L513 HydrophobicContact CG2-CD1 3.77Å
370Y98.9Very high98.6Very high22 Ų2213.2 Ų13.29%0.0867%0.066CC..Hα-helixtrans-67.4-41.1174.9-168.8-110.7000112.5A366 C367 L368 M372 C373 C374 P405 R406 C409 I438 F558 L560A366-Y370 PolarHBondContact O-N 2.97Å; C367-Y370 PolarHBondContact O-N 3.46Å; L368-Y370 VanDerWaalsContact C-N 3.3Å; L368-Y370 PolarHBondContact O-N 2.89Å; Y370-M372 VanDerWaalsContact C-N 3.32Å; Y370-M372 PolarHBondContact O-N 3.27Å; Y370-C373 WeakPolarHBondContact O-CB 3.47Å; Y370-C373 PolarHBondContact O-N 3.34Å; Y370-C373 VanDerWaalsContact O-N 3.16Å; Y370-C374 PolarHBondContact O-N 3.27Å; Y370-C374 PolarHBondContact O-SG 3.14Å; Y370-C374 VanDerWaalsContact O-SG 3.39Å; Y370-P405 HydrophobicContact CE2-CB 3.88Å; Y370-R406 HydrophobicContact CE2-CG 3.86Å; Y370-C409 HydrophobicContact CD2-CB 4.36Å; Y370-I438 HydrophobicContact CD2-CB 3.75Å; Y370-I438 HydrophobicContact CD2-CG2 4.1Å; Y370-I438 HydrophobicContact CE2-CB 4.32Å; Y370-I438 HydrophobicContact CG-CB 4.14Å; Y370-I438 HydrophobicContact CG-CG2 4Å; Y370-F558 HydrophobicContact CD1-CB 4.07Å; Y370-F558 HydrophobicContact CD1-CD1 4.19Å; Y370-F558 HydrophobicContact CD1-CG 4.05Å; Y370-F558 HydrophobicContact CE1-CB 3.96Å; Y370-F558 HydrophobicContact CE1-CD1 4.24Å; Y370-F558 HydrophobicContact CE1-CG 4.26Å; Y370-L560 HydrophobicContact CD1-CD1 4.25Å; Y370-L560 HydrophobicContact CE1-CD2 4.48Å
371S98.9Very high98.7Very high1 Ų121.5 Ų21.51%0.00710%0.096CC..Hα-helixtrans-59.4-43.1172.5-174.30000111.4S333 C367 L368 C373 C374 Q375S333-S371 WeakPolarHBondContact O-CB 3.18Å; S333-S371 PolarHBondContact O-OG 2.94Å; C367-S371 WeakPolarHBondContact O-CB 3.45Å; C367-S371 PolarHBondContact O-N 3.32Å; L368-S371 PolarHBondContact O-N 3.16Å; S371-C373 VanDerWaalsContact C-N 3.34Å; S371-C373 PolarHBondContact O-N 2.76Å; S371-C374 WeakPolarHBondContact O-CB 3.45Å; S371-C374 PolarHBondContact O-N 3.36Å; S371-C374 VanDerWaalsContact O-N 3.13Å; S371-Q375 WeakPolarHBondContact O-CG 3.29Å; S371-Q375 PolarHBondContact O-N 3.03Å
372M98.9Very high98.7Very high1 Ų125.5 Ų25.51%0.00513%0.125CC..Hα-helixtrans-57-46.5173.1-177.1-164.773.100111.2A337 L340 W341 F352 L368 V369 Y370 C374 Q375 V376 I412A337-M372 HydrophobicContact CB-CB 4.06Å; A337-M372 WeakPolarHBondContact O-CG 3.31Å; L340-M372 HydrophobicContact CB-SD 3.81Å; W341-M372 HydrophobicContact CB-CG 3.88Å; W341-M372 HydrophobicContact CB-SD 4.03Å; W341-M372 HydrophobicContact CE3-SD 4.39Å; W341-M372 PolarHBondContact N-SD 3.47Å; W341-M372 VanDerWaalsContact N-SD 3.44Å; F352-M372 HydrophobicContact CE2-CE 3.94Å; F352-M372 HydrophobicContact CE2-SD 4.14Å; L368-M372 WeakPolarHBondContact O-CB 3.4Å; L368-M372 PolarHBondContact O-N 3.05Å; V369-M372 HydrophobicContact CG1-CE 4.14Å; V369-M372 WeakPolarHBondContact O-CB 3.42Å; V369-M372 PolarHBondContact O-N 2.9Å; Y370-M372 VanDerWaalsContact C-N 3.32Å; Y370-M372 PolarHBondContact O-N 3.27Å; M372-C374 VanDerWaalsContact C-N 3.32Å; M372-C374 PolarHBondContact O-N 2.72Å; M372-Q375 PolarHBondContact O-N 3.42Å; M372-V376 WeakPolarHBondContact O-CG2 3.49Å; M372-V376 PolarHBondContact O-N 3.36Å; M372-I412 HydrophobicContact CE-CD1 3.27Å; M372-I412 HydrophobicContact CE-CG1 4.46Å
373C98.9Very high98.7Very high0 Ų027.2 Ų27.20%014%0.144CC..Hα-helixtrans-59.5-42.2175.1-62.30000112.1V369 Y370 S371 Q375 V376 C377 P405 L408V369-C373 PolarHBondContact O-N 2.9Å; V369-C373 PolarHBondContact O-SG 3.43Å; Y370-C373 WeakPolarHBondContact O-CB 3.47Å; Y370-C373 PolarHBondContact O-N 3.34Å; Y370-C373 VanDerWaalsContact O-N 3.16Å; S371-C373 VanDerWaalsContact C-N 3.34Å; S371-C373 PolarHBondContact O-N 2.76Å; C373-Q375 PolarHBondContact O-N 2.87Å; C373-V376 PolarHBondContact O-N 3.34Å; C373-C377 PolarHBondContact O-N 3.32Å; C373-C377 PolarHBondContact O-SG 3.16Å; C373-C377 VanDerWaalsContact O-SG 3.34Å; C373-P405 HydrophobicContact CB-CB 4.05Å; C373-L408 HydrophobicContact CB-CB 4.43Å; C373-L408 HydrophobicContact CB-CD2 4.01Å; C373-L408 HydrophobicContact CB-CG 4.26Å
374C98.8Very high98.6Very high29 Ų2928 Ų2820%0.19615%0.148CC..Hα-helixtrans-60.7-43175.3-69.60000112.2Y370 S371 M372 C377 K378 P405Y370-C374 PolarHBondContact O-N 3.27Å; Y370-C374 PolarHBondContact O-SG 3.14Å; Y370-C374 VanDerWaalsContact O-SG 3.39Å; S371-C374 WeakPolarHBondContact O-CB 3.45Å; S371-C374 PolarHBondContact O-N 3.36Å; S371-C374 VanDerWaalsContact O-N 3.13Å; M372-C374 VanDerWaalsContact C-N 3.32Å; M372-C374 PolarHBondContact O-N 2.72Å; C374-C377 PolarHBondContact O-N 2.6Å; C374-K378 WeakPolarHBondContact O-CB 3.25Å; C374-K378 PolarHBondContact O-N 2.95Å; C374-P405 HydrophobicContact CB-CG 4.42Å
375Q98.8Very high98.6Very high35 Ų3533.6 Ų33.616%0.16417%0.174CC..Hα-helixtrans-64.8-41177-67-54.5-38.400111.8L263 L334 S371 M372 C373 K378 S379L263-Q375 HydrophobicContact CD1-CB 3.88Å; L263-Q375 HydrophobicContact CD2-CB 4.48Å; L263-Q375 HydrophobicContact CG-CB 4.15Å; L334-Q375 HydrophobicContact CD2-CG 4.27Å; S371-Q375 WeakPolarHBondContact O-CG 3.29Å; S371-Q375 PolarHBondContact O-N 3.03Å; M372-Q375 PolarHBondContact O-N 3.42Å; C373-Q375 PolarHBondContact O-N 2.87Å; Q375-K378 PolarHBondContact O-N 2.93Å; Q375-S379 VanDerWaalsContact O-CB 3.31Å; Q375-S379 WeakPolarHBondContact O-CB 3.4Å; Q375-S379 PolarHBondContact O-N 2.87Å
376V98.9Very high98.5Very high0 Ų038.4 Ų38.40%020%0.197CC..Hα-helixtrans-61-51.7175.5169.40000110.8L263 W341 M372 C373 K378 S379 V380 V387 V391 P402 L408L263-V376 HydrophobicContact CD1-CB 4.29Å; L263-V376 HydrophobicContact CD1-CG2 3.65Å; W341-V376 HydrophobicContact CD2-CG2 3.91Å; W341-V376 HydrophobicContact CE3-CG2 3.53Å; W341-V376 HydrophobicContact CH2-CG2 4.11Å; W341-V376 HydrophobicContact CZ2-CG2 4.4Å; W341-V376 HydrophobicContact CZ3-CG2 3.66Å; M372-V376 WeakPolarHBondContact O-CG2 3.49Å; M372-V376 PolarHBondContact O-N 3.36Å; C373-V376 PolarHBondContact O-N 3.34Å; V376-K378 VanDerWaalsContact C-N 3.28Å; V376-K378 PolarHBondContact O-N 2.88Å; V376-S379 PolarHBondContact O-N 3.48Å; V376-V380 WeakPolarHBondContact O-CG2 3.4Å; V376-V380 PolarHBondContact O-N 3.18Å; V376-V387 HydrophobicContact CB-CG1 4.49Å; V376-V387 HydrophobicContact CG1-CG1 4.02Å; V376-V387 HydrophobicContact CG2-CG1 4.47Å; V376-V391 HydrophobicContact CG1-CG2 3.26Å; V376-P402 HydrophobicContact CG1-CG 4.03Å; V376-L408 HydrophobicContact CB-CD2 3.7Å; V376-L408 HydrophobicContact CG1-CD2 3.47Å; V376-L408 VanDerWaalsContact CG1-CD2 3.47Å; V376-L408 HydrophobicContact CG2-CD2 4.39Å
377C98.8Very high98.5Very high2 Ų238.5 Ų38.51%0.01420%0.197CC..Hα-helixtrans-58.3-41177.1-69.10000111.9C373 C374 R381 P405C373-C377 PolarHBondContact O-N 3.32Å; C373-C377 PolarHBondContact O-SG 3.16Å; C373-C377 VanDerWaalsContact O-SG 3.34Å; C374-C377 PolarHBondContact O-N 2.6Å; C377-R381 VanDerWaalsContact O-CB 3.31Å; C377-R381 WeakPolarHBondContact O-CB 3.32Å; C377-R381 PolarHBondContact O-N 3.06Å; C377-P405 HydrophobicContact CB-CG 4.36Å
378K98.6Very high98.5Very high124 Ų12439.2 Ų39.254%0.53920%0.201SC..Hα-helixtrans-63.2-47.9176.1-176.3-173.5174.7-167.80111.2C374 Q375 V376 R381 S382C374-K378 WeakPolarHBondContact O-CB 3.25Å; C374-K378 PolarHBondContact O-N 2.95Å; Q375-K378 PolarHBondContact O-N 2.93Å; V376-K378 VanDerWaalsContact C-N 3.28Å; V376-K378 PolarHBondContact O-N 2.88Å; K378-R381 WeakPolarHBondContact O-CB 3.33Å; K378-R381 PolarHBondContact O-N 3Å; K378-S382 PolarHBondContact O-N 3.47Å; K378-S382 PolarHBondContact O-OG 3.32Å
379S98.4Very high98.5Very high12 Ų1241.5 Ų41.58%0.08422%0.22CC..Hα-helixtrans-62.8-45.2-178.6-170.10000112Q375 V376 R381 S382 G383 N384Q375-S379 VanDerWaalsContact O-CB 3.31Å; Q375-S379 WeakPolarHBondContact O-CB 3.4Å; Q375-S379 PolarHBondContact O-N 2.87Å; V376-S379 PolarHBondContact O-N 3.48Å; S379-R381 VanDerWaalsContact C-N 3.34Å; S379-R381 PolarHBondContact O-N 3.41Å; S379-S382 CarbonylContact O-C 3.56Å; S379-S382 WeakPolarHBondContact O-CA 3.27Å; S379-S382 WeakPolarHBondContact O-CB 3.35Å; S379-S382 PolarHBondContact O-N 3.39Å; S379-S382 VanDerWaalsContact O-N 3.11Å; S379-G383 PolarHBondContact O-N 2.99Å; S379-N384 WeakPolarHBondContact O-CB 3.43Å; S379-N384 PolarHBondContact O-N 2.86Å; S379-N384 VanDerWaalsContact O-N 3.14Å; S379-N384 WeakPolarHBondContact OG-CB 3.28Å; S379-N384 PolarHBondContact OG-ND2 2.87Å
380V98.5Very high98.4Very high16 Ų1643.6 Ų43.610%0.09723%0.231CC..Hα-helixtrans-61.2-42.7174.7170.90000111.4V376 S382 G383 V387 L388 T401 P402V376-V380 WeakPolarHBondContact O-CG2 3.4Å; V376-V380 PolarHBondContact O-N 3.18Å; V380-S382 VanDerWaalsContact C-N 3.26Å; V380-S382 PolarHBondContact O-N 3.03Å; V380-G383 PolarHBondContact O-N 2.96Å; V380-V387 HydrophobicContact CG2-CG1 4.03Å; V380-L388 HydrophobicContact CG1-CD1 3.92Å; V380-L388 HydrophobicContact CG2-CB 4.14Å; V380-L388 HydrophobicContact CG2-CD1 4.24Å; V380-T401 HydrophobicContact CG1-CG2 3.79Å; V380-P402 HydrophobicContact CB-CG 4.3Å; V380-P402 HydrophobicContact CG1-CG 4.4Å; V380-P402 HydrophobicContact CG2-CG 3.85Å
381R98.2Very high98.4Very high190 Ų19042.6 Ų42.672%0.71723%0.228SC*.Hα-helixtrans-63.5-33.2175.9-170-174.5-56.2153.34.3112.4C377 K378 S379 G383C377-R381 VanDerWaalsContact O-CB 3.31Å; C377-R381 WeakPolarHBondContact O-CB 3.32Å; C377-R381 PolarHBondContact O-N 3.06Å; K378-R381 WeakPolarHBondContact O-CB 3.33Å; K378-R381 PolarHBondContact O-N 3Å; S379-R381 VanDerWaalsContact C-N 3.34Å; S379-R381 PolarHBondContact O-N 3.41Å; R381-G383 PolarHBondContact O-N 3.35Å
382S97.3Very high98.4Very high99 Ų9946.2 Ų46.269%0.69224%0.241SC*.THydrogen-bonded Turntrans-75.8-0.9173.9-68.70000113.7K378 S379 V380K378-S382 PolarHBondContact O-N 3.47Å; K378-S382 PolarHBondContact O-OG 3.32Å; S379-S382 CarbonylContact O-C 3.56Å; S379-S382 WeakPolarHBondContact O-CA 3.27Å; S379-S382 WeakPolarHBondContact O-CB 3.35Å; S379-S382 PolarHBondContact O-N 3.39Å; S379-S382 VanDerWaalsContact O-N 3.11Å; V380-S382 VanDerWaalsContact C-N 3.26Å; V380-S382 PolarHBondContact O-N 3.03Å
383G97.9Very high98.3Very high41 Ų4151.2 Ų51.242%0.42327%0.272SS..THydrogen-bonded Turntrans89.910.9173.900000115.2S379 V380 R381 Q385S379-G383 PolarHBondContact O-N 2.99Å; V380-G383 PolarHBondContact O-N 2.96Å; R381-G383 PolarHBondContact O-N 3.35Å; G383-Q385 PolarHBondContact O-N 3.35Å; G383-Q385 PolarHBondContact O-NE2 2.88Å
384N98Very high98.3Very high16 Ų1652.4 Ų52.49%0.08628%0.278CS..  trans-66.2112.4177.7-175.6-46000110.2D264 S379 E386 V387 L388D264-N384 PolarHBondContact OD1-ND2 3.25Å; S379-N384 WeakPolarHBondContact O-CB 3.43Å; S379-N384 PolarHBondContact O-N 2.86Å; S379-N384 VanDerWaalsContact O-N 3.14Å; S379-N384 WeakPolarHBondContact OG-CB 3.28Å; S379-N384 PolarHBondContact OG-ND2 2.87Å; N384-E386 PolarHBondContact OD1-N 3.03Å; N384-E386 PolarHBondContact OD1-OE2 2.84Å; N384-V387 HydrophobicContact CB-CB 4.44Å; N384-V387 WeakPolarHBondContact OD1-CG2 3.23Å; N384-V387 PolarHBondContact OD1-N 3.45Å; N384-L388 PolarHBondContact O-N 2.92Å
385Q97.9Very high98.2Very high118 Ų11852.6 Ų52.655%0.55128%0.278SS*.Hα-helixtrans-80.6-32.2-172.9-64.7-55.2-58.400112G383 L388 A389G383-Q385 PolarHBondContact O-N 3.35Å; G383-Q385 PolarHBondContact O-NE2 2.88Å; Q385-L388 PolarHBondContact O-N 3.16Å; Q385-A389 WeakPolarHBondContact O-CB 3.28Å; Q385-A389 PolarHBondContact O-N 2.92Å
386E97.7Very high98.1Very high100 Ų10057.3 Ų57.347%0.46730%0.304SS..Hα-helixtrans-62.8-51.2178-64.179.8179.800110.1N384 L388 A389 D390N384-E386 PolarHBondContact OD1-N 3.03Å; N384-E386 PolarHBondContact OD1-OE2 2.84Å; E386-L388 VanDerWaalsContact C-N 3.31Å; E386-L388 PolarHBondContact O-N 2.98Å; E386-A389 PolarHBondContact O-N 2.76Å; E386-D390 PolarHBondContact O-N 3.32Å
387V98.5Very high97.9Very high2 Ų260.7 Ų60.71%0.01232%0.32CS..Hα-helixtrans-61.8-40.2176.6174.20000111L263 W341 V376 V380 N384 D390 V391L263-V387 HydrophobicContact CB-CG2 3.7Å; L263-V387 HydrophobicContact CD1-CG1 4.33Å; L263-V387 HydrophobicContact CD1-CG2 4.44Å; L263-V387 WeakPolarHBondContact O-CG2 3.37Å; W341-V387 HydrophobicContact CZ2-CG1 3.96Å; V376-V387 HydrophobicContact CB-CG1 4.49Å; V376-V387 HydrophobicContact CG1-CG1 4.02Å; V376-V387 HydrophobicContact CG2-CG1 4.47Å; V380-V387 HydrophobicContact CG2-CG1 4.03Å; N384-V387 HydrophobicContact CB-CB 4.44Å; N384-V387 WeakPolarHBondContact OD1-CG2 3.23Å; N384-V387 PolarHBondContact OD1-N 3.45Å; V387-D390 PolarHBondContact O-N 3.25Å; V387-V391 HydrophobicContact CG1-CG2 4.36Å; V387-V391 VanDerWaalsContact O-CG2 3.25Å; V387-V391 WeakPolarHBondContact O-CG2 3.47Å; V387-V391 PolarHBondContact O-N 3.35Å
388L98.7Very high97.8Very high15 Ų1568 Ų688%0.07936%0.357CS..Hα-helixtrans-63.6-42176.7-17957.3000112.1V380 N384 Q385 E386 R392 T401V380-L388 HydrophobicContact CG1-CD1 3.92Å; V380-L388 HydrophobicContact CG2-CB 4.14Å; V380-L388 HydrophobicContact CG2-CD1 4.24Å; N384-L388 PolarHBondContact O-N 2.92Å; Q385-L388 PolarHBondContact O-N 3.16Å; E386-L388 VanDerWaalsContact C-N 3.31Å; E386-L388 PolarHBondContact O-N 2.98Å; L388-R392 HydrophobicContact CD1-CG 4.43Å; L388-R392 WeakPolarHBondContact O-CB 3.22Å; L388-R392 WeakPolarHBondContact O-CD 3.08Å; L388-R392 VanDerWaalsContact O-CG 3.24Å; L388-R392 WeakPolarHBondContact O-CG 3.45Å; L388-R392 PolarHBondContact O-N 2.96Å; L388-R392 VanDerWaalsContact O-N 3.11Å; L388-T401 HydrophobicContact CD1-CG2 4.26Å
389A98.4Very high97.8Very high49 Ų4966.6 Ų66.641%0.40536%0.364SS..Hα-helixtrans-64.1-43.6176.300000111.6Q385 E386 R392 T393Q385-A389 WeakPolarHBondContact O-CB 3.28Å; Q385-A389 PolarHBondContact O-N 2.92Å; E386-A389 PolarHBondContact O-N 2.76Å; A389-R392 PolarHBondContact O-N 3.38Å; A389-T393 WeakPolarHBondContact O-CB 3.43Å; A389-T393 PolarHBondContact O-N 2.87Å; A389-T393 PolarHBondContact O-OG1 3.01Å
390D98.5Very high97.8Very high43 Ų4366.7 Ų66.723%0.2336%0.362CS..Hα-helixtrans-62.3-48177.7-76.5-17.5000111.4W341 R345 E386 V387 R392 T393 I394W341-D390 HydrophobicContact CH2-CB 3.97Å; W341-D390 HydrophobicContact CZ2-CB 3.63Å; R345-D390 HydrophobicContact CB-CB 4.46Å; R345-D390 WeakPolarHBondContact CD-OD2 3.07Å; R345-D390 IonicContact NH1-OD2 3.77Å; E386-D390 PolarHBondContact O-N 3.32Å; V387-D390 PolarHBondContact O-N 3.25Å; D390-R392 VanDerWaalsContact C-N 3.34Å; D390-R392 PolarHBondContact O-N 2.86Å; D390-T393 WeakPolarHBondContact O-CB 3.44Å; D390-T393 PolarHBondContact O-N 3.42Å; D390-T393 VanDerWaalsContact O-N 3.15Å; D390-I394 VanDerWaalsContact O-CG1 3.3Å; D390-I394 WeakPolarHBondContact O-CG1 3.27Å; D390-I394 PolarHBondContact O-N 3.39Å
391V98.4Very high97.8Very high2 Ų268.6 Ų68.61%0.01237%0.374CS..Hα-helixtrans-59-47.2177.5176.30000110.8W341 V376 V387 T393 I394 V395 Y400 P402 L408W341-V391 HydrophobicContact CH2-CB 4.44Å; W341-V391 HydrophobicContact CH2-CG2 3.44Å; W341-V391 VanDerWaalsContact CH2-CG2 3.44Å; W341-V391 HydrophobicContact CZ2-CG2 4.29Å; W341-V391 HydrophobicContact CZ3-CG2 4.08Å; V376-V391 HydrophobicContact CG1-CG2 3.26Å; V387-V391 HydrophobicContact CG1-CG2 4.36Å; V387-V391 VanDerWaalsContact O-CG2 3.25Å; V387-V391 WeakPolarHBondContact O-CG2 3.47Å; V387-V391 PolarHBondContact O-N 3.35Å; V391-T393 PolarHBondContact O-N 3.14Å; V391-I394 PolarHBondContact O-N 3.25Å; V391-V395 HydrophobicContact CG1-CG1 4.46Å; V391-V395 VanDerWaalsContact O-CG2 3.32Å; V391-V395 WeakPolarHBondContact O-CG2 3.29Å; V391-V395 PolarHBondContact O-N 2.89Å; V391-Y400 HydrophobicContact CG1-CD1 3.71Å; V391-Y400 HydrophobicContact CG1-CE1 3.61Å; V391-P402 HydrophobicContact CG1-CG 4.09Å; V391-P402 HydrophobicContact CG2-CG 4.4Å; V391-L408 HydrophobicContact CG1-CD1 4.02Å
392R98.3Very high97.7Very high76 Ų7659.7 Ų59.729%0.28734%0.341SS..Hα-helixtrans-60.2-35.9178.9-74.6169.5173.8174.8-3112.2L388 A389 D390 N396 Q397 I398 Y400 T401L388-R392 HydrophobicContact CD1-CG 4.43Å; L388-R392 WeakPolarHBondContact O-CB 3.22Å; L388-R392 WeakPolarHBondContact O-CD 3.08Å; L388-R392 VanDerWaalsContact O-CG 3.24Å; L388-R392 WeakPolarHBondContact O-CG 3.45Å; L388-R392 PolarHBondContact O-N 2.96Å; L388-R392 VanDerWaalsContact O-N 3.11Å; A389-R392 PolarHBondContact O-N 3.38Å; D390-R392 VanDerWaalsContact C-N 3.34Å; D390-R392 PolarHBondContact O-N 2.86Å; R392-N396 CarbonylContact O-C 3.43Å; R392-N396 VanDerWaalsContact O-CA 3.3Å; R392-N396 WeakPolarHBondContact O-CA 3.22Å; R392-N396 PolarHBondContact O-N 2.97Å; R392-Q397 PolarHBondContact O-N 3.12Å; R392-I398 WeakPolarHBondContact CD-O 3.21Å; R392-I398 PolarHBondContact NE-O 3.47Å; R392-Y400 VanDerWaalsContact CG-O 3.3Å; R392-Y400 WeakPolarHBondContact CG-O 3.33Å; R392-Y400 PolarHBondContact NE-O 3.18Å; R392-T401 PolarHBondContact NH2-OG1 3Å
393T97.6Very high97.7Very high106 Ų10662.2 Ų62.265%0.6534%0.342SS*.Hα-helixtrans-68.5-50.3175.8-57.90000110.9A389 D390 V391 V395 N396A389-T393 WeakPolarHBondContact O-CB 3.43Å; A389-T393 PolarHBondContact O-N 2.87Å; A389-T393 PolarHBondContact O-OG1 3.01Å; D390-T393 WeakPolarHBondContact O-CB 3.44Å; D390-T393 PolarHBondContact O-N 3.42Å; D390-T393 VanDerWaalsContact O-N 3.15Å; V391-T393 PolarHBondContact O-N 3.14Å; T393-V395 PolarHBondContact O-N 3.45Å; T393-N396 PolarHBondContact O-N 3.15Å; T393-N396 VanDerWaalsContact O-N 3.1Å
394I97.9Very high97.7Very high26 Ų2664 Ų6413%0.13334%0.341CS..Hα-helixtrans-58.9-48.4179.9-69.2161.5000111.1W341 L344 R345 D390 V391 N396 I412W341-I394 HydrophobicContact CH2-CD1 3.73Å; W341-I394 HydrophobicContact CZ3-CD1 3.75Å; L344-I394 HydrophobicContact CD2-CD1 4.11Å; L344-I394 HydrophobicContact CD2-CG2 4.17Å; L344-I394 HydrophobicContact CG-CD1 4.02Å; L344-I394 HydrophobicContact CG-CG2 4.41Å; R345-I394 HydrophobicContact CB-CD1 4.13Å; D390-I394 VanDerWaalsContact O-CG1 3.3Å; D390-I394 WeakPolarHBondContact O-CG1 3.27Å; D390-I394 PolarHBondContact O-N 3.39Å; V391-I394 PolarHBondContact O-N 3.25Å; I394-N396 PolarHBondContact O-N 2.74Å; I394-I412 HydrophobicContact CG2-CG2 4.24Å
395V97.1Very high97.7Very high32 Ų3264.3 Ų64.319%0.19434%0.344CS..THydrogen-bonded Turntrans-82.9-1.9-179.8-52.50000113.2V391 T393 Q397 Y400 R411 I412V391-V395 HydrophobicContact CG1-CG1 4.46Å; V391-V395 VanDerWaalsContact O-CG2 3.32Å; V391-V395 WeakPolarHBondContact O-CG2 3.29Å; V391-V395 PolarHBondContact O-N 2.89Å; T393-V395 PolarHBondContact O-N 3.45Å; V395-Q397 VanDerWaalsContact C-N 3.28Å; V395-Q397 HydrophobicContact CG2-CB 3.91Å; V395-Q397 PolarHBondContact O-N 3Å; V395-Y400 HydrophobicContact CG1-CE1 4.43Å; V395-Y400 HydrophobicContact CG2-CD1 3.53Å; V395-Y400 HydrophobicContact CG2-CE1 4.23Å; V395-Y400 HydrophobicContact CG2-CG 3.97Å; V395-R411 HydrophobicContact CG1-CB 4.14Å; V395-I412 HydrophobicContact CG1-CG2 4.28Å
396N95.9Very high97.8Very high135 Ų13563.7 Ų63.772%0.72234%0.337SS*.THydrogen-bonded Turntrans49.144.9-177-168.444.1000113.5R392 T393 I394R392-N396 CarbonylContact O-C 3.43Å; R392-N396 VanDerWaalsContact O-CA 3.3Å; R392-N396 WeakPolarHBondContact O-CA 3.22Å; R392-N396 PolarHBondContact O-N 2.97Å; T393-N396 PolarHBondContact O-N 3.15Å; T393-N396 VanDerWaalsContact O-N 3.1Å; I394-N396 PolarHBondContact O-N 2.74Å
397Q96.4Very high97.8Very high71 Ų7162 Ų6233%0.33233%0.331SS..  trans-140.1101.1-179.1-172.5-177.9-13.700110.6R392 V395 S399 Y400R392-Q397 PolarHBondContact O-N 3.12Å; V395-Q397 VanDerWaalsContact C-N 3.28Å; V395-Q397 HydrophobicContact CG2-CB 3.91Å; V395-Q397 PolarHBondContact O-N 3Å; Q397-S399 VanDerWaalsContact C-N 3.29Å; Q397-S399 PolarHBondContact O-N 3.4Å; Q397-Y400 VanDerWaalsContact O-CB 3.24Å; Q397-Y400 WeakPolarHBondContact O-CB 3.35Å; Q397-Y400 PolarHBondContact O-N 3.4Å
398I96.3Very high97.8Very high154 Ų15462 Ų6279%0.7933%0.331SS*.THydrogen-bonded Turntrans-60.3-35.7-173.2-58.3169.3000112.8R392 Y400R392-I398 WeakPolarHBondContact CD-O 3.21Å; R392-I398 PolarHBondContact NE-O 3.47Å; I398-Y400 VanDerWaalsContact C-N 3.3Å; I398-Y400 PolarHBondContact O-N 2.87Å
399S97.4Very high97.8Very high96 Ų9661.2 Ų61.267%0.67133%0.327SS*.THydrogen-bonded Turntrans-82.7-5-179.657.90000114Q397Q397-S399 VanDerWaalsContact C-N 3.29Å; Q397-S399 PolarHBondContact O-N 3.4Å
400Y98.2Very high97.8Very high13 Ų1360 Ų605%0.05132%0.319CS..  trans-71.9137.8-176-176.1-114.6000111.2V391 R392 V395 Q397 I398 P402 D407 L408V391-Y400 HydrophobicContact CG1-CD1 3.71Å; V391-Y400 HydrophobicContact CG1-CE1 3.61Å; R392-Y400 VanDerWaalsContact CG-O 3.3Å; R392-Y400 WeakPolarHBondContact CG-O 3.33Å; R392-Y400 PolarHBondContact NE-O 3.18Å; V395-Y400 HydrophobicContact CG1-CE1 4.43Å; V395-Y400 HydrophobicContact CG2-CD1 3.53Å; V395-Y400 HydrophobicContact CG2-CE1 4.23Å; V395-Y400 HydrophobicContact CG2-CG 3.97Å; Q397-Y400 VanDerWaalsContact O-CB 3.24Å; Q397-Y400 WeakPolarHBondContact O-CB 3.35Å; Q397-Y400 PolarHBondContact O-N 3.4Å; I398-Y400 VanDerWaalsContact C-N 3.3Å; I398-Y400 PolarHBondContact O-N 2.87Å; Y400-P402 HydrophobicContact CE1-CB 3.89Å; Y400-P402 HydrophobicContact CE1-CG 4.37Å; Y400-D407 WeakPolarHBondContact CE2-OD2 3.36Å; Y400-D407 VanDerWaalsContact CZ-OD2 3.28Å; Y400-D407 PolarHBondContact OH-OD2 2.9Å; Y400-L408 HydrophobicContact CE1-CD1 4.21Å; Y400-L408 WeakPolarHBondContact OH-CA 3.39Å
401T98.3Very high97.8Very high57 Ų5762.4 Ų62.435%0.3533%0.325SS..  trans-141.2107.9175.3-590000107V380 L388 R392 Q403V380-T401 HydrophobicContact CG1-CG2 3.79Å; L388-T401 HydrophobicContact CD1-CG2 4.26Å; R392-T401 PolarHBondContact NH2-OG1 3Å; T401-Q403 PolarHBondContact O-N 2.94Å
402P97.4Very high97.8Very high3 Ų362.5 Ų62.52%0.01933%0.325CS..  trans-68.6128.4-17529.7-37000110.7V376 V380 V391 Y400 L408V376-P402 HydrophobicContact CG1-CG 4.03Å; V380-P402 HydrophobicContact CB-CG 4.3Å; V380-P402 HydrophobicContact CG1-CG 4.4Å; V380-P402 HydrophobicContact CG2-CG 3.85Å; V391-P402 HydrophobicContact CG1-CG 4.09Å; V391-P402 HydrophobicContact CG2-CG 4.4Å; Y400-P402 HydrophobicContact CE1-CB 3.89Å; Y400-P402 HydrophobicContact CE1-CG 4.37Å; P402-L408 HydrophobicContact CB-CB 4.31Å; P402-L408 HydrophobicContact CB-CD2 4.13Å
403Q96.4Very high97.9Very high152 Ų15258.9 Ų58.971%0.7131%0.312SS*.  trans-122.7-47177-63.5-176.135.100111.5T401T401-Q403 PolarHBondContact O-N 2.94Å
404D98.3Very high97.9Very high78 Ų7853.9 Ų53.942%0.41728%0.281SS..SBendtrans-93.6118.9174-178.5-1.7000109.7R406 D407 L408D404-R406 PolarHBondContact O-N 2.94Å; D404-R406 VanDerWaalsContact O-N 3.17Å; D404-R406 WeakPolarHBondContact OD1-CB 3.26Å; D404-R406 PolarHBondContact OD1-N 3.15Å; D404-D407 HydrophobicContact CB-CB 4.32Å; D404-D407 PolarHBondContact O-N 3.07Å; D404-L408 PolarHBondContact O-N 2.7Å
405P98.7Very high98Very high23 Ų2352.7 Ų52.715%0.14928%0.275CS..Hα-helixtrans-54.8-29.7174.8-25.635.3000113.8Y370 C373 C374 C377 C409Y370-P405 HydrophobicContact CE2-CB 3.88Å; C373-P405 HydrophobicContact CB-CB 4.05Å; C374-P405 HydrophobicContact CB-CG 4.42Å; C377-P405 HydrophobicContact CB-CG 4.36Å; P405-C409 WeakPolarHBondContact O-CB 3.06Å; P405-C409 PolarHBondContact O-N 3Å
406R98.7Very high98Very high104 Ų10451.2 Ų51.239%0.39227%0.266SS..Hα-helixtrans-69.3-40.2179.7-61.1167.357.6113.57.3112.2Y370 D404 C409 G410 Q436 Q437 I438Y370-R406 HydrophobicContact CE2-CG 3.86Å; D404-R406 PolarHBondContact O-N 2.94Å; D404-R406 VanDerWaalsContact O-N 3.17Å; D404-R406 WeakPolarHBondContact OD1-CB 3.26Å; D404-R406 PolarHBondContact OD1-N 3.15Å; R406-C409 PolarHBondContact O-N 3.43Å; R406-G410 PolarHBondContact O-N 3.49Å; R406-Q436 PolarHBondContact NH2-O 2.96Å; R406-Q437 VanDerWaalsContact CZ-O 3.25Å; R406-Q437 PolarHBondContact NH1-O 2.79Å; R406-I438 WeakPolarHBondContact CA-O 3.37Å
407D98.7Very high98.2Very high64 Ų6445.2 Ų45.234%0.34223%0.233SC..Hα-helixtrans-65.2-45.4175.516467.6000111Y400 D404 C409 G410 R411Y400-D407 WeakPolarHBondContact CE2-OD2 3.36Å; Y400-D407 VanDerWaalsContact CZ-OD2 3.28Å; Y400-D407 PolarHBondContact OH-OD2 2.9Å; D404-D407 HydrophobicContact CB-CB 4.32Å; D404-D407 PolarHBondContact O-N 3.07Å; D407-C409 PolarHBondContact O-N 3.07Å; D407-G410 PolarHBondContact O-N 3.22Å; D407-R411 WeakPolarHBondContact O-CG 3.42Å; D407-R411 PolarHBondContact O-N 2.92Å; D407-R411 IonicContact OD1-CZ 3.69Å; D407-R411 IonicContact OD1-NE 2.98Å; D407-R411 PolarHBondContact OD1-NE 3.31Å; D407-R411 VanDerWaalsContact OD1-NE 3.09Å; D407-R411 IonicContact OD1-NH2 3.49Å; D407-R411 PolarHBondContact OD1-NH2 3.47Å; D407-R411 IonicContact OD2-NE 3.82Å
408L98.8Very high98.2Very high2 Ų242.3 Ų42.31%0.0122%0.22CC..Hα-helixtrans-60.1-47.4174.7176.558.8000111.1C373 V376 V391 Y400 P402 D404 G410 R411 I412C373-L408 HydrophobicContact CB-CB 4.43Å; C373-L408 HydrophobicContact CB-CD2 4.01Å; C373-L408 HydrophobicContact CB-CG 4.26Å; V376-L408 HydrophobicContact CB-CD2 3.7Å; V376-L408 HydrophobicContact CG1-CD2 3.47Å; V376-L408 VanDerWaalsContact CG1-CD2 3.47Å; V376-L408 HydrophobicContact CG2-CD2 4.39Å; V391-L408 HydrophobicContact CG1-CD1 4.02Å; Y400-L408 HydrophobicContact CE1-CD1 4.21Å; Y400-L408 WeakPolarHBondContact OH-CA 3.39Å; P402-L408 HydrophobicContact CB-CB 4.31Å; P402-L408 HydrophobicContact CB-CD2 4.13Å; D404-L408 PolarHBondContact O-N 2.7Å; L408-G410 VanDerWaalsContact C-N 3.3Å; L408-G410 PolarHBondContact O-N 3.49Å; L408-R411 WeakPolarHBondContact O-CB 3.47Å; L408-R411 PolarHBondContact O-N 3.42Å; L408-I412 HydrophobicContact CD1-CD1 4.31Å; L408-I412 HydrophobicContact CD1-CG2 4.04Å; L408-I412 HydrophobicContact CG-CD1 4.15Å; L408-I412 WeakPolarHBondContact O-CG1 3.15Å; L408-I412 PolarHBondContact O-N 2.77Å; L408-I412 VanDerWaalsContact O-N 3.17Å
409C98.8Very high98.2Very high0 Ų035.7 Ų35.70%019%0.188CC..Hα-helixtrans-57.4-41.7178.1-170.70000111.9Y370 P405 R406 D407 R411 I412 L413 I438Y370-C409 HydrophobicContact CD2-CB 4.36Å; P405-C409 WeakPolarHBondContact O-CB 3.06Å; P405-C409 PolarHBondContact O-N 3Å; R406-C409 PolarHBondContact O-N 3.43Å; D407-C409 PolarHBondContact O-N 3.07Å; C409-R411 PolarHBondContact O-N 3.07Å; C409-I412 PolarHBondContact O-N 3.27Å; C409-L413 WeakPolarHBondContact O-CA 3.46Å; C409-L413 WeakPolarHBondContact O-CB 3.41Å; C409-L413 PolarHBondContact O-N 3.39Å; C409-I438 WeakPolarHBondContact CB-O 3.16Å; C409-I438 PolarHBondContact SG-O 2.87Å
410G98.4Very high97.9Very high23 Ų2331.4 Ų31.424%0.23716%0.158CC..Hα-helixtrans-63.3-25176.900000114.8R406 D407 L408 G439R406-G410 PolarHBondContact O-N 3.49Å; D407-G410 PolarHBondContact O-N 3.22Å; L408-G410 VanDerWaalsContact C-N 3.3Å; L408-G410 PolarHBondContact O-N 3.49Å; G410-G439 WeakPolarHBondContact CA-O 3.43Å; G410-G439 PolarHBondContact N-O 3.18Å
411R98.5Very high97.3Very high93 Ų9338.1 Ų38.135%0.35119%0.188SC..Hα-helixtrans-82.2-36.2176.8-65.9165.5-178.5-94.5-1.5112.1V395 D407 L408 C409V395-R411 HydrophobicContact CG1-CB 4.14Å; D407-R411 WeakPolarHBondContact O-CG 3.42Å; D407-R411 PolarHBondContact O-N 2.92Å; D407-R411 IonicContact OD1-CZ 3.69Å; D407-R411 IonicContact OD1-NE 2.98Å; D407-R411 PolarHBondContact OD1-NE 3.31Å; D407-R411 VanDerWaalsContact OD1-NE 3.09Å; D407-R411 IonicContact OD1-NH2 3.49Å; D407-R411 PolarHBondContact OD1-NH2 3.47Å; D407-R411 IonicContact OD2-NE 3.82Å; L408-R411 WeakPolarHBondContact O-CB 3.47Å; L408-R411 PolarHBondContact O-N 3.42Å; C409-R411 PolarHBondContact O-N 3.07Å
412I98.4Very high96.7Very high4 Ų436.6 Ų36.62%0.02118%0.177CC..Hα-helixtrans-108.4-14.1-169.572.4179.2000114.4L344 G351 F352 M372 I394 V395 L408 C409L344-I412 HydrophobicContact CD2-CD1 4.48Å; G351-I412 CarbonylContact C-O 3.53Å; G351-I412 WeakPolarHBondContact CA-O 3.39Å; F352-I412 PolarHBondContact N-O 2.9Å; M372-I412 HydrophobicContact CE-CD1 3.27Å; M372-I412 HydrophobicContact CE-CG1 4.46Å; I394-I412 HydrophobicContact CG2-CG2 4.24Å; V395-I412 HydrophobicContact CG1-CG2 4.28Å; L408-I412 HydrophobicContact CD1-CD1 4.31Å; L408-I412 HydrophobicContact CD1-CG2 4.04Å; L408-I412 HydrophobicContact CG-CD1 4.15Å; L408-I412 WeakPolarHBondContact O-CG1 3.15Å; L408-I412 PolarHBondContact O-N 2.77Å; L408-I412 VanDerWaalsContact O-N 3.17Å; C409-I412 PolarHBondContact O-N 3.27Å
413L98.9Very high96.2Very high0 Ų037.8 Ų37.80%019%0.186CC..EExtended strand (participates in β ladder)trans-119.3121.4-179-177.461.1000111.2F352 L354 V369 C409 T415 I438 S440 H441F352-L413 HydrophobicContact CB-CD1 3.92Å; L354-L413 HydrophobicContact CB-CD1 4.01Å; V369-L413 HydrophobicContact CB-CD2 4.06Å; V369-L413 HydrophobicContact CG1-CB 4Å; V369-L413 HydrophobicContact CG1-CD1 4.23Å; V369-L413 HydrophobicContact CG1-CD2 3.85Å; V369-L413 HydrophobicContact CG1-CG 4.23Å; V369-L413 HydrophobicContact CG2-CD1 4.37Å; C409-L413 WeakPolarHBondContact O-CA 3.46Å; C409-L413 WeakPolarHBondContact O-CB 3.41Å; C409-L413 PolarHBondContact O-N 3.39Å; L413-T415 HydrophobicContact CD1-CG2 4.42Å; L413-T415 HydrophobicContact CD2-CG2 3.96Å; L413-T415 HydrophobicContact CG-CG2 4Å; L413-I438 HydrophobicContact CD2-CD1 3.85Å; L413-S440 WeakPolarHBondContact O-CB 3.27Å; L413-H441 PolarHBondContact O-N 3.05Å
414T98.9Very high95.6Very high2 Ų232.3 Ų32.31%0.01217%0.165CC..EExtended strand (participates in β ladder)trans-105.1120.4165.1-57.10000109F352 L353 L354 H441 I443 R504F352-T414 PolarHBondContact O-N 3.07Å; L353-T414 CarbonylContact C-O 3.2Å; L353-T414 WeakPolarHBondContact CA-O 3.37Å; L353-T414 HydrophobicContact CD2-CG2 3.73Å; L354-T414 PolarHBondContact N-O 2.97Å; T414-H441 CarbonylContact C-O 3.43Å; T414-H441 VanDerWaalsContact CA-O 3.3Å; T414-H441 WeakPolarHBondContact CA-O 3.48Å; T414-I443 HydrophobicContact CG2-CD1 3.72Å; T414-I443 HydrophobicContact CG2-CG1 4.32Å; T414-R504 PolarHBondContact OG1-NH2 3.43Å
415T98.9Very high95.2Very high0 Ų034.3 Ų34.30%017%0.171CC..EExtended strand (participates in β ladder)trans-101.1142.4173.855.10000110L354 L356 L413 A435 S440 H441 H442 I443L354-T415 HydrophobicContact CB-CG2 4.45Å; L354-T415 HydrophobicContact CD2-CG2 4.48Å; L354-T415 CarbonylContact O-C 3.56Å; L354-T415 WeakPolarHBondContact O-CA 3.35Å; L356-T415 HydrophobicContact CB-CG2 4.49Å; L356-T415 HydrophobicContact CD2-CG2 4.07Å; L413-T415 HydrophobicContact CD1-CG2 4.42Å; L413-T415 HydrophobicContact CD2-CG2 3.96Å; L413-T415 HydrophobicContact CG-CG2 4Å; T415-A435 WeakPolarHBondContact OG1-CB 3.29Å; T415-S440 WeakPolarHBondContact CG2-OG 3.32Å; T415-S440 PolarHBondContact OG1-OG 3.09Å; T415-H441 PolarHBondContact N-O 3.44Å; T415-H442 WeakPolarHBondContact O-CA 3.4Å; T415-H442 PolarHBondContact OG1-ND1 2.91Å; T415-I443 PolarHBondContact O-N 3.48Å
416C98.8Very high94.7Very high1 Ų138.2 Ų38.21%0.00719%0.191CC..EExtended strand (participates in β ladder)trans-133.5111.7-176.8-170.40000111.7L353 L354 P355 L356 I443L353-C416 HydrophobicContact CD2-CB 4.11Å; L354-C416 PolarHBondContact O-N 3.02Å; P355-C416 CarbonylContact C-O 3.6Å; P355-C416 WeakPolarHBondContact CA-O 3.43Å; L356-C416 PolarHBondContact N-O 2.88Å; C416-I443 CarbonylContact C-O 3.55Å; C416-I443 WeakPolarHBondContact CA-O 3.39Å; C416-I443 HydrophobicContact CB-CB 4.44Å
417Y98.6Very high94.3Very high9 Ų933.9 Ų33.94%0.03518%0.176CC..EExtended strand (participates in β ladder)trans-91.2122.8170.2-178.1-98.4000110.2L356 A419 S423 T427 C428 A431 I443 S444 L445L356-Y417 WeakPolarHBondContact O-CA 3.45Å; L356-Y417 VanDerWaalsContact O-CD2 3.28Å; L356-Y417 WeakPolarHBondContact O-CD2 3.17Å; Y417-A419 HydrophobicContact CD1-CB 4.29Å; Y417-A419 HydrophobicContact CE1-CB 3.65Å; Y417-S423 WeakPolarHBondContact OH-CB 3.34Å; Y417-T427 PolarHBondContact OH-OG1 3.14Å; Y417-C428 HydrophobicContact CD1-CB 4.12Å; Y417-C428 HydrophobicContact CE1-CB 3.45Å; Y417-C428 VanDerWaalsContact CE1-CB 3.45Å; Y417-C428 VanDerWaalsContact CZ-CA 3.48Å; Y417-C428 PolarHBondContact OH-N 3.08Å; Y417-A431 HydrophobicContact CD2-CB 3.69Å; Y417-A431 HydrophobicContact CE2-CB 4.44Å; Y417-A431 HydrophobicContact CG-CB 4.22Å; Y417-I443 PolarHBondContact N-O 2.81Å; Y417-S444 WeakPolarHBondContact O-CA 3.39Å; Y417-L445 PolarHBondContact O-N 3.29Å
418M98.1Very high94.1Very high10 Ų1031.3 Ų31.35%0.04916%0.163CC..EExtended strand (participates in β ladder)trans-119.586-174.1-63.1-178.5-86.300110.6P355 L445 I447 R489 L492 A493P355-M418 HydrophobicContact CB-CE 3.76Å; P355-M418 HydrophobicContact CG-CE 4.2Å; M418-L445 HydrophobicContact CB-CD1 4Å; M418-L445 HydrophobicContact CG-CD1 3.8Å; M418-L445 HydrophobicContact CG-CD2 4.27Å; M418-L445 HydrophobicContact CG-CG 3.99Å; M418-I447 HydrophobicContact CB-CG2 3.86Å; M418-R489 HydrophobicContact CB-CG 3.86Å; M418-R489 HydrophobicContact CE-CB 3.75Å; M418-R489 HydrophobicContact CE-CG 4.24Å; M418-R489 WeakPolarHBondContact CE-O 3.32Å; M418-R489 PolarHBondContact O-NE 3.18Å; M418-R489 HydrophobicContact SD-CB 3.9Å; M418-R489 HydrophobicContact SD-CG 4.11Å; M418-R489 VanDerWaalsContact SD-O 3.4Å; M418-L492 HydrophobicContact SD-CB 3.82Å; M418-L492 HydrophobicContact SD-CD1 4.47Å; M418-A493 HydrophobicContact CE-CB 4.27Å
419A95.1Very high94Very high16 Ų1633.1 Ų33.113%0.13217%0.174CC..EExtended strand (participates in β ladder)trans-66.7141.8-177.600000111.6Y417 L445 N446 I447Y417-A419 HydrophobicContact CD1-CB 4.29Å; Y417-A419 HydrophobicContact CE1-CB 3.65Å; A419-L445 PolarHBondContact N-O 3.49Å; A419-N446 WeakPolarHBondContact O-CA 3.2Å; A419-I447 WeakPolarHBondContact O-CG1 3.24Å; A419-I447 PolarHBondContact O-N 3.19Å
420S91.4Very high93.9Very high5 Ų534.7 Ų34.74%0.03518%0.18CC..  trans-95.6-178.7162.273.80000110.7N422 S423 Q485 E574S420-N422 PolarHBondContact O-N 2.87Å; S420-N422 PolarHBondContact OG-N 2.96Å; S420-S423 PolarHBondContact N-OG 3.38Å; S420-S423 PolarHBondContact O-N 3.41Å; S420-S423 PolarHBondContact OG-N 2.8Å; S420-S423 PolarHBondContact OG-OG 2.84Å; S420-Q485 PolarHBondContact OG-OE1 3.2Å; S420-E574 PolarHBondContact OG-O 3.04Å
421K86.4Confident93.9Very high154 Ų15433.6 Ų33.667%0.6717%0.169SC*.THydrogen-bonded Turntrans-60.4-23.5169.5-174-180175.2-167.90113.1
422N84.6Confident93.9Very high25 Ų2534.6 Ų34.613%0.13417%0.172CC..THydrogen-bonded Turntrans-101.7-6.1-173.7-52.1-37.5000112.8S420 L575 E576S420-N422 PolarHBondContact O-N 2.87Å; S420-N422 PolarHBondContact OG-N 2.96Å; N422-L575 PolarHBondContact ND2-O 3.01Å; N422-L575 VanDerWaalsContact ND2-O 3.1Å; N422-E576 WeakPolarHBondContact CB-O 3.27Å
423S86.3Confident93.9Very high29 Ų2938.1 Ų38.120%0.20319%0.189CC..  trans-66.5135.7-179.3-66.30000111.9Y417 S420 E574Y417-S423 WeakPolarHBondContact OH-CB 3.34Å; S420-S423 PolarHBondContact N-OG 3.38Å; S420-S423 PolarHBondContact O-N 3.41Å; S420-S423 PolarHBondContact OG-N 2.8Å; S420-S423 PolarHBondContact OG-OG 2.84Å; S423-E574 VanDerWaalsContact CA-OE2 3.32Å; S423-E574 WeakPolarHBondContact CA-OE2 3.37Å
424S85.4Confident93.9Very high37 Ų3738.1 Ų38.126%0.25919%0.189SC..  trans-75.8158.817869.50000112.1D426 T427 E574S424-D426 PolarHBondContact O-N 3.43Å; S424-T427 PolarHBondContact O-OG1 2.8Å; S424-T427 VanDerWaalsContact O-OG1 3.05Å; S424-T427 PolarHBondContact OG-N 2.95Å; S424-T427 PolarHBondContact OG-OG1 3.01Å; S424-T427 VanDerWaalsContact OG-OG1 3.07Å; S424-E574 WeakPolarHBondContact CB-OE1 3.48Å; S424-E574 PolarHBondContact N-OE2 3.11Å; S424-E574 PolarHBondContact OG-OE1 3.23Å; S424-E574 PolarHBondContact OG-OE2 3.23Å
425Q88.4Confident93.9Very high119 Ų11938 Ų3856%0.55619%0.189SC*.Hα-helixtrans-67.9-24.7171.6-171.453.952.300111.4T429Q425-T429 PolarHBondContact NE2-OG1 2.8Å; Q425-T429 WeakPolarHBondContact O-CB 3.38Å; Q425-T429 PolarHBondContact O-N 2.65Å; Q425-T429 PolarHBondContact O-OG1 3.43Å
426D89.4Confident93.9Very high105 Ų10544.7 Ų44.756%0.56122%0.219SC*.Hα-helixtrans-73.5-46.8-176.9-62.8-19.6000111.6S424 C428 T429 R430S424-D426 PolarHBondContact O-N 3.43Å; D426-C428 VanDerWaalsContact C-N 3.31Å; D426-C428 PolarHBondContact O-N 2.85Å; D426-T429 PolarHBondContact O-N 3.47Å; D426-T429 VanDerWaalsContact O-N 3.15Å; D426-R430 WeakPolarHBondContact O-CG 3.42Å; D426-R430 PolarHBondContact O-N 2.74Å
427T90.3Very high93.9Very high13 Ų1346.5 Ų46.58%0.0823%0.228CC..Hα-helixtrans-58.6-43.5174.642.70000111.4Y417 S424 T429 R430 A431 E574Y417-T427 PolarHBondContact OH-OG1 3.14Å; S424-T427 PolarHBondContact O-OG1 2.8Å; S424-T427 VanDerWaalsContact O-OG1 3.05Å; S424-T427 PolarHBondContact OG-N 2.95Å; S424-T427 PolarHBondContact OG-OG1 3.01Å; S424-T427 VanDerWaalsContact OG-OG1 3.07Å; T427-T429 VanDerWaalsContact C-N 3.34Å; T427-T429 PolarHBondContact O-N 3.49Å; T427-R430 PolarHBondContact O-N 3.46Å; T427-A431 PolarHBondContact O-N 3.32Å; T427-A431 VanDerWaalsContact O-N 3.07Å; T427-E574 WeakPolarHBondContact CG2-OE1 3.49Å; T427-E574 WeakPolarHBondContact CG2-OE2 3.35Å; T427-E574 PolarHBondContact OG1-OE2 2.94Å
428C94Very high93.9Very high11 Ų1146 Ų467%0.07423%0.226CC..Hα-helixtrans-60.2-43174.9-176.10000112.3Y417 D426 R432Y417-C428 HydrophobicContact CD1-CB 4.12Å; Y417-C428 HydrophobicContact CE1-CB 3.45Å; Y417-C428 VanDerWaalsContact CE1-CB 3.45Å; Y417-C428 VanDerWaalsContact CZ-CA 3.48Å; Y417-C428 PolarHBondContact OH-N 3.08Å; D426-C428 VanDerWaalsContact C-N 3.31Å; D426-C428 PolarHBondContact O-N 2.85Å; C428-R432 WeakPolarHBondContact O-CB 3.23Å; C428-R432 PolarHBondContact O-N 2.74Å; C428-R432 VanDerWaalsContact O-N 3.15Å
429T96.4Very high93.9Very high39 Ų3946.7 Ų46.724%0.23924%0.236CC..Hα-helixtrans-66.7-46.8-179.4-59.30000110.7Q425 D426 T427 A431 R432 E433Q425-T429 PolarHBondContact NE2-OG1 2.8Å; Q425-T429 WeakPolarHBondContact O-CB 3.38Å; Q425-T429 PolarHBondContact O-N 2.65Å; Q425-T429 PolarHBondContact O-OG1 3.43Å; D426-T429 PolarHBondContact O-N 3.47Å; D426-T429 VanDerWaalsContact O-N 3.15Å; T427-T429 VanDerWaalsContact C-N 3.34Å; T427-T429 PolarHBondContact O-N 3.49Å; T429-A431 PolarHBondContact O-N 3.05Å; T429-R432 WeakPolarHBondContact O-CB 3.14Å; T429-R432 PolarHBondContact O-N 3.42Å; T429-R432 VanDerWaalsContact O-N 3.16Å; T429-E433 HydrophobicContact CG2-CG 4.22Å; T429-E433 WeakPolarHBondContact CG2-OE1 3.44Å; T429-E433 WeakPolarHBondContact O-CG 3.46Å; T429-E433 PolarHBondContact O-N 3.49Å
430R97Very high94.1Very high34 Ų3446.5 Ų46.513%0.12823%0.233CC..Hα-helixtrans-58.9-44.6177.7-68.8-168.3-57.5-91.49.1112.8G358 D426 T427 R432 E433 L434 S565 I566G358-R430 PolarHBondContact O-NE 3Å; G358-R430 VanDerWaalsContact O-NE 3.12Å; D426-R430 WeakPolarHBondContact O-CG 3.42Å; D426-R430 PolarHBondContact O-N 2.74Å; T427-R430 PolarHBondContact O-N 3.46Å; R430-R432 VanDerWaalsContact C-N 3.33Å; R430-R432 PolarHBondContact O-N 3.06Å; R430-E433 PolarHBondContact O-N 3.35Å; R430-L434 WeakPolarHBondContact O-CB 3.28Å; R430-L434 PolarHBondContact O-N 2.93Å; R430-S565 WeakPolarHBondContact CG-OG 3.42Å; R430-I566 HydrophobicContact CB-CD1 4.33Å; R430-I566 HydrophobicContact CB-CG1 3.83Å; R430-I566 HydrophobicContact CG-CG1 4.19Å
431A97.9Very high94.4Very high0 Ų049.3 Ų49.30%025%0.246CC..Hα-helixtrans-60.8-43.5176.800000111.7L356 Y417 T427 T429 A435L356-A431 HydrophobicContact CD2-CB 4.08Å; L356-A431 VanDerWaalsContact CD2-O 3.29Å; L356-A431 WeakPolarHBondContact CD2-O 3.48Å; L356-A431 HydrophobicContact CG-CB 4.12Å; Y417-A431 HydrophobicContact CD2-CB 3.69Å; Y417-A431 HydrophobicContact CE2-CB 4.44Å; Y417-A431 HydrophobicContact CG-CB 4.22Å; T427-A431 PolarHBondContact O-N 3.32Å; T427-A431 VanDerWaalsContact O-N 3.07Å; T429-A431 PolarHBondContact O-N 3.05Å; A431-A435 VanDerWaalsContact O-CB 3.29Å; A431-A435 WeakPolarHBondContact O-CB 3.41Å; A431-A435 PolarHBondContact O-N 3.35Å
432R98.5Very high95Very high113 Ų11344.3 Ų44.343%0.42623%0.225SC..Hα-helixtrans-64.7-46.9177.9-174.3-170.7-58149.32.2112.2C428 T429 R430 A435 Q436C428-R432 WeakPolarHBondContact O-CB 3.23Å; C428-R432 PolarHBondContact O-N 2.74Å; C428-R432 VanDerWaalsContact O-N 3.15Å; T429-R432 WeakPolarHBondContact O-CB 3.14Å; T429-R432 PolarHBondContact O-N 3.42Å; T429-R432 VanDerWaalsContact O-N 3.16Å; R430-R432 VanDerWaalsContact C-N 3.33Å; R430-R432 PolarHBondContact O-N 3.06Å; R432-A435 PolarHBondContact O-N 3.31Å; R432-Q436 WeakPolarHBondContact O-CB 3.43Å; R432-Q436 PolarHBondContact O-N 3.47Å
433E98.5Very high95.7Very high78 Ų7844.3 Ų44.336%0.36422%0.224SC..Hα-helixtrans-61.4-46.6-179.9-74.3176.4172.200111.5T429 R430 Q436 Q437 A562T429-E433 HydrophobicContact CG2-CG 4.22Å; T429-E433 WeakPolarHBondContact CG2-OE1 3.44Å; T429-E433 WeakPolarHBondContact O-CG 3.46Å; T429-E433 PolarHBondContact O-N 3.49Å; R430-E433 PolarHBondContact O-N 3.35Å; E433-Q436 PolarHBondContact O-N 3.47Å; E433-Q437 WeakPolarHBondContact O-CG 3.44Å; E433-Q437 PolarHBondContact O-N 2.93Å; E433-A562 HydrophobicContact CB-CB 3.85Å
434L98.8Very high96.2Very high1 Ų146 Ų461%0.00524%0.236CC..Hα-helixtrans-61.9-46.9177179.559.7000111.3L356 A363 A366 R430 Q436 Q437 I438 L560 A562 L563 I566L356-L434 HydrophobicContact CD1-CD2 4.38Å; A363-L434 HydrophobicContact CB-CD2 3.56Å; A366-L434 HydrophobicContact CB-CD2 4.24Å; R430-L434 WeakPolarHBondContact O-CB 3.28Å; R430-L434 PolarHBondContact O-N 2.93Å; L434-Q436 VanDerWaalsContact C-N 3.26Å; L434-Q436 PolarHBondContact O-N 2.96Å; L434-Q437 PolarHBondContact O-N 3.04Å; L434-Q437 VanDerWaalsContact O-N 3.11Å; L434-I438 HydrophobicContact CD1-CG2 4.08Å; L434-I438 WeakPolarHBondContact O-CG1 3.46Å; L434-I438 PolarHBondContact O-N 3.09Å; L434-L560 HydrophobicContact CD1-CD1 4.38Å; L434-A562 HydrophobicContact CB-CB 4.13Å; L434-L563 HydrophobicContact CD1-CD2 3.66Å; L434-L563 HydrophobicContact CD1-CG 4.19Å; L434-L563 HydrophobicContact CD2-CD2 3.93Å; L434-L563 HydrophobicContact CG-CD2 4.42Å; L434-I566 HydrophobicContact CB-CD1 4.29Å; L434-I566 HydrophobicContact CD2-CD1 3.94Å
435A98.8Very high96.8Very high0 Ų046 Ų460%023%0.233CC..Hα-helixtrans-58-38.8177.800000112.3L356 T415 A431 R432 G439 S440 H442L356-A435 HydrophobicContact CD2-CB 4.25Å; T415-A435 WeakPolarHBondContact OG1-CB 3.29Å; A431-A435 VanDerWaalsContact O-CB 3.29Å; A431-A435 WeakPolarHBondContact O-CB 3.41Å; A431-A435 PolarHBondContact O-N 3.35Å; R432-A435 PolarHBondContact O-N 3.31Å; A435-G439 PolarHBondContact O-N 2.72Å; A435-S440 WeakPolarHBondContact CB-OG 3.43Å; A435-S440 PolarHBondContact O-N 2.69Å; A435-S440 VanDerWaalsContact O-N 3.08Å; A435-S440 PolarHBondContact O-OG 3.42Å; A435-H442 HydrophobicContact CB-CB 3.79Å; A435-H442 WeakPolarHBondContact CB-ND1 3.11Å
436Q98.6Very high97.2Very high139 Ų13944.3 Ų44.365%0.6523%0.227SC*.Hα-helixtrans-68.6-37.2175.7-175.1179.2600112.7R406 R432 E433 L434R406-Q436 PolarHBondContact NH2-O 2.96Å; R432-Q436 WeakPolarHBondContact O-CB 3.43Å; R432-Q436 PolarHBondContact O-N 3.47Å; E433-Q436 PolarHBondContact O-N 3.47Å; L434-Q436 VanDerWaalsContact C-N 3.26Å; L434-Q436 PolarHBondContact O-N 2.96Å
437Q98.7Very high97.6Very high39 Ų3939.4 Ų39.418%0.18220%0.201CC..Hα-helixtrans-71.6-38179.3-71.7-177.33.600112.6R406 E433 L434 L560 T561R406-Q437 VanDerWaalsContact CZ-O 3.25Å; R406-Q437 PolarHBondContact NH1-O 2.79Å; E433-Q437 WeakPolarHBondContact O-CG 3.44Å; E433-Q437 PolarHBondContact O-N 2.93Å; L434-Q437 PolarHBondContact O-N 3.04Å; L434-Q437 VanDerWaalsContact O-N 3.11Å; Q437-L560 HydrophobicContact CB-CD2 3.75Å; Q437-T561 PolarHBondContact NE2-OG1 3.4Å
438I98.7Very high97.9Very high0 Ų040.1 Ų40.10%021%0.205CC..Hα-helixtrans-83.3-15.7176.969.4-175.2000113.2A366 Y370 R406 C409 L413 L434 L560A366-I438 HydrophobicContact CB-CD1 3.88Å; Y370-I438 HydrophobicContact CD2-CB 3.75Å; Y370-I438 HydrophobicContact CD2-CG2 4.1Å; Y370-I438 HydrophobicContact CE2-CB 4.32Å; Y370-I438 HydrophobicContact CG-CB 4.14Å; Y370-I438 HydrophobicContact CG-CG2 4Å; R406-I438 WeakPolarHBondContact CA-O 3.37Å; C409-I438 WeakPolarHBondContact CB-O 3.16Å; C409-I438 PolarHBondContact SG-O 2.87Å; L413-I438 HydrophobicContact CD2-CD1 3.85Å; L434-I438 HydrophobicContact CD1-CG2 4.08Å; L434-I438 WeakPolarHBondContact O-CG1 3.46Å; L434-I438 PolarHBondContact O-N 3.09Å; I438-L560 HydrophobicContact CG2-CD1 3.83Å; I438-L560 HydrophobicContact CG2-CD2 3.85Å
439G98.6Very high98.1Very high24 Ų2444 Ų4425%0.24723%0.229CC..THydrogen-bonded Turntrans89.28177.100000116G410 A435G410-G439 WeakPolarHBondContact CA-O 3.43Å; G410-G439 PolarHBondContact N-O 3.18Å; A435-G439 PolarHBondContact O-N 2.72Å
440S98.8Very high98.2Very high12 Ų1243.9 Ų43.98%0.08423%0.233CC..  trans-64.9154.7-17770.80000113.4L413 T415 A435 H442L413-S440 WeakPolarHBondContact O-CB 3.27Å; T415-S440 WeakPolarHBondContact CG2-OG 3.32Å; T415-S440 PolarHBondContact OG1-OG 3.09Å; A435-S440 WeakPolarHBondContact CB-OG 3.43Å; A435-S440 PolarHBondContact O-N 2.69Å; A435-S440 VanDerWaalsContact O-N 3.08Å; A435-S440 PolarHBondContact O-OG 3.42Å; S440-H442 PolarHBondContact O-N 3.38Å; S440-H442 VanDerWaalsContact O-N 3.16Å
441H98.6Very high98.2Very high64 Ų6443 Ų4330%0.29623%0.231SC..EExtended strand (participates in β ladder)trans-71.4106.8166.8178.661.3000109.9L413 T414 T415L413-H441 PolarHBondContact O-N 3.05Å; T414-H441 CarbonylContact C-O 3.43Å; T414-H441 VanDerWaalsContact CA-O 3.3Å; T414-H441 WeakPolarHBondContact CA-O 3.48Å; T415-H441 PolarHBondContact N-O 3.44Å
442H98.7Very high98.2Very high49 Ų4949.1 Ų49.123%0.22726%0.258CS..EExtended strand (participates in β ladder)trans-95.9128.7-174.2-166.961.2000113T415 A435 S440T415-H442 WeakPolarHBondContact O-CA 3.4Å; T415-H442 PolarHBondContact OG1-ND1 2.91Å; A435-H442 HydrophobicContact CB-CB 3.79Å; A435-H442 WeakPolarHBondContact CB-ND1 3.11Å; S440-H442 PolarHBondContact O-N 3.38Å; S440-H442 VanDerWaalsContact O-N 3.16Å
443I98.6Very high98.1Very high25 Ų2546.4 Ų46.413%0.12826%0.26CS..EExtended strand (participates in β ladder)trans-112133.2173.2-62.8171.1000108.1T414 T415 C416 Y417 L445 F496T414-I443 HydrophobicContact CG2-CD1 3.72Å; T414-I443 HydrophobicContact CG2-CG1 4.32Å; T415-I443 PolarHBondContact O-N 3.48Å; C416-I443 CarbonylContact C-O 3.55Å; C416-I443 WeakPolarHBondContact CA-O 3.39Å; C416-I443 HydrophobicContact CB-CB 4.44Å; Y417-I443 PolarHBondContact N-O 2.81Å; I443-L445 HydrophobicContact CG2-CD2 4.25Å; I443-F496 HydrophobicContact CD1-CD1 3.57Å; I443-F496 HydrophobicContact CD1-CE1 3.88Å; I443-F496 HydrophobicContact CD1-CG 4.36Å; I443-F496 HydrophobicContact CG2-CE1 4.17Å; I443-F496 HydrophobicContact CG2-CZ 4.29Å
444S98Very high98.1Very high63 Ų6345.5 Ų45.544%0.44126%0.259SS..EExtended strand (participates in β ladder)trans-126.7125.6173.1-170.80000108.8Y417Y417-S444 WeakPolarHBondContact O-CA 3.39Å
445L97.7Very high98Very high37 Ų3747.1 Ų47.119%0.19427%0.267CS..EExtended strand (participates in β ladder)trans-143.7167.6-176.867.182.3000112Y417 M418 A419 I443 I447 L492 F496Y417-L445 PolarHBondContact O-N 3.29Å; M418-L445 HydrophobicContact CB-CD1 4Å; M418-L445 HydrophobicContact CG-CD1 3.8Å; M418-L445 HydrophobicContact CG-CD2 4.27Å; M418-L445 HydrophobicContact CG-CG 3.99Å; A419-L445 PolarHBondContact N-O 3.49Å; I443-L445 HydrophobicContact CG2-CD2 4.25Å; L445-I447 HydrophobicContact CD1-CG2 3.75Å; L445-L492 HydrophobicContact CD1-CD1 3.86Å; L445-F496 HydrophobicContact CD2-CD2 4.15Å; L445-F496 HydrophobicContact CD2-CE2 3.31Å; L445-F496 HydrophobicContact CD2-CZ 3.75Å
446N97.3Very high98Very high84 Ų8448.9 Ų48.945%0.44929%0.286SS..EExtended strand (participates in β ladder)trans-115.6129.2175.4-167.1-52.2000110.8A419 D448A419-N446 WeakPolarHBondContact O-CA 3.2Å; N446-D448 WeakPolarHBondContact OD1-CB 3.42Å; N446-D448 PolarHBondContact OD1-N 3.25Å
447I97.9Very high98Very high2 Ų247.6 Ų47.61%0.0128%0.282CS..  trans-87.4-12.6-176.871.3179.3000113.8M418 A419 L445 P449 A450 V451 Q485 I488 R489 L492M418-I447 HydrophobicContact CB-CG2 3.86Å; A419-I447 WeakPolarHBondContact O-CG1 3.24Å; A419-I447 PolarHBondContact O-N 3.19Å; L445-I447 HydrophobicContact CD1-CG2 3.75Å; I447-P449 VanDerWaalsContact C-CD 3.41Å; I447-P449 VanDerWaalsContact C-N 3.34Å; I447-A450 PolarHBondContact O-N 3.26Å; I447-V451 HydrophobicContact CB-CG2 4.43Å; I447-V451 HydrophobicContact CD1-CG2 4.12Å; I447-V451 HydrophobicContact CG1-CG2 3.93Å; I447-V451 WeakPolarHBondContact O-CG2 3.37Å; I447-V451 PolarHBondContact O-N 2.82Å; I447-Q485 HydrophobicContact CD1-CB 3.91Å; I447-Q485 HydrophobicContact CD1-CG 4.31Å; I447-I488 HydrophobicContact CB-CG2 3.95Å; I447-I488 HydrophobicContact CG2-CG2 4.36Å; I447-R489 HydrophobicContact CD1-CG 3.99Å; I447-R489 HydrophobicContact CG2-CG 4.21Å; I447-L492 HydrophobicContact CB-CD1 4.37Å; I447-L492 HydrophobicContact CG2-CD1 3.66Å
448D96.3Very high98Very high29 Ų2950.2 Ų50.216%0.15529%0.293CS..Hα-helixtrans-55.3-37.5-173.3-172.969.1000113.9N446 A450 V451 K452N446-D448 WeakPolarHBondContact OD1-CB 3.42Å; N446-D448 PolarHBondContact OD1-N 3.25Å; D448-A450 VanDerWaalsContact C-N 3.33Å; D448-A450 PolarHBondContact O-N 3.47Å; D448-V451 PolarHBondContact O-N 2.73Å; D448-K452 WeakPolarHBondContact O-CB 3.4Å; D448-K452 WeakPolarHBondContact O-CG 3.34Å; D448-K452 PolarHBondContact O-N 2.95Å; D448-K452 WeakPolarHBondContact OD2-CD 3.42Å; D448-K452 WeakPolarHBondContact OD2-CE 3.19Å; D448-K452 IonicContact OD2-NZ 2.97Å; D448-K452 PolarHBondContact OD2-NZ 2.91Å
449P98.4Very high97.9Very high91 Ų9151.8 Ų51.859%0.59130%0.304SS*.Hα-helixtrans-57.6-43.7173.9-25.935.9000113.2I447 A453I447-P449 VanDerWaalsContact C-CD 3.41Å; I447-P449 VanDerWaalsContact C-N 3.34Å; P449-A453 WeakPolarHBondContact O-CB 3.27Å; P449-A453 PolarHBondContact O-N 2.95Å; P449-A453 VanDerWaalsContact O-N 3.1Å
450A98.1Very high97.9Very high38 Ų3857.8 Ų57.831%0.31433%0.33SS..Hα-helixtrans-71.7-40.4178.600000111.5I447 D448 A453 V454 I488I447-A450 PolarHBondContact O-N 3.26Å; D448-A450 VanDerWaalsContact C-N 3.33Å; D448-A450 PolarHBondContact O-N 3.47Å; A450-A453 PolarHBondContact O-N 2.78Å; A450-V454 WeakPolarHBondContact O-CG2 3.3Å; A450-V454 PolarHBondContact O-N 3.45Å; A450-I488 HydrophobicContact CB-CG2 3.95Å
451V97.1Very high97.9Very high16 Ų1662.9 Ų62.910%0.09736%0.36CS..Hα-helixtrans-61.5-47.8176.3174.10000110.7I447 D448 A453 V454 M455 V484 Q485 I488I447-V451 HydrophobicContact CB-CG2 4.43Å; I447-V451 HydrophobicContact CD1-CG2 4.12Å; I447-V451 HydrophobicContact CG1-CG2 3.93Å; I447-V451 WeakPolarHBondContact O-CG2 3.37Å; I447-V451 PolarHBondContact O-N 2.82Å; D448-V451 PolarHBondContact O-N 2.73Å; V451-A453 VanDerWaalsContact C-N 3.31Å; V451-A453 PolarHBondContact O-N 3.44Å; V451-V454 PolarHBondContact O-N 2.8Å; V451-M455 HydrophobicContact CG1-CG 4.33Å; V451-M455 WeakPolarHBondContact O-CG 3.46Å; V451-M455 PolarHBondContact O-N 3.15Å; V451-V484 HydrophobicContact CG1-CG1 4.3Å; V451-Q485 HydrophobicContact CG1-CG 4.24Å; V451-Q485 HydrophobicContact CG2-CG 4.02Å; V451-I488 HydrophobicContact CG2-CB 4.41Å; V451-I488 HydrophobicContact CG2-CG1 4.22Å; V451-I488 HydrophobicContact CG2-CG2 4.45Å
452K97Very high97.8Very high128 Ų12863 Ų6356%0.55737%0.365SS*.Hα-helixtrans-58.7-41.4175.7-79.5174.5172.2158.40112.2D448 M455 G456D448-K452 WeakPolarHBondContact O-CB 3.4Å; D448-K452 WeakPolarHBondContact O-CG 3.34Å; D448-K452 PolarHBondContact O-N 2.95Å; D448-K452 WeakPolarHBondContact OD2-CD 3.42Å; D448-K452 WeakPolarHBondContact OD2-CE 3.19Å; D448-K452 IonicContact OD2-NZ 2.97Å; D448-K452 PolarHBondContact OD2-NZ 2.91Å; K452-M455 PolarHBondContact O-N 2.9Å; K452-G456 PolarHBondContact O-N 3.37Å
453A98.2Very high97.8Very high56 Ų5663.8 Ų63.846%0.46339%0.387SS..Hα-helixtrans-61.1-46.9176.500000111.6P449 A450 V451 G456 I457P449-A453 WeakPolarHBondContact O-CB 3.27Å; P449-A453 PolarHBondContact O-N 2.95Å; P449-A453 VanDerWaalsContact O-N 3.1Å; A450-A453 PolarHBondContact O-N 2.78Å; V451-A453 VanDerWaalsContact C-N 3.31Å; V451-A453 PolarHBondContact O-N 3.44Å; A453-G456 PolarHBondContact O-N 2.64Å; A453-I457 WeakPolarHBondContact O-CG1 3.14Å; A453-I457 PolarHBondContact O-N 3.2Å
454V98.1Very high97.7Very high59 Ų5969.8 Ų69.836%0.35841%0.412SS..Hα-helixtrans-62.3-45.5177.3171.80000111.7A450 V451 G456 I457 F458 V484 I488A450-V454 WeakPolarHBondContact O-CG2 3.3Å; A450-V454 PolarHBondContact O-N 3.45Å; V451-V454 PolarHBondContact O-N 2.8Å; V454-G456 VanDerWaalsContact C-N 3.3Å; V454-G456 PolarHBondContact O-N 3.46Å; V454-I457 PolarHBondContact O-N 2.94Å; V454-F458 PolarHBondContact O-N 2.94Å; V454-V484 HydrophobicContact CB-CG1 4.48Å; V454-V484 HydrophobicContact CG1-CG1 4.09Å; V454-I488 HydrophobicContact CG2-CD1 4.13Å
455M97.1Very high97.6Very high34 Ų3470.8 Ų70.817%0.16742%0.419CS..Hα-helixtrans-67-32.8177.6-64.6-48.6-55.700112.4V451 K452 F458 S459 P466 L481 V484V451-M455 HydrophobicContact CG1-CG 4.33Å; V451-M455 WeakPolarHBondContact O-CG 3.46Å; V451-M455 PolarHBondContact O-N 3.15Å; K452-M455 PolarHBondContact O-N 2.9Å; M455-F458 PolarHBondContact O-N 3.3Å; M455-S459 WeakPolarHBondContact O-CB 3.2Å; M455-S459 PolarHBondContact O-N 3.04Å; M455-S459 PolarHBondContact O-OG 2.88Å; M455-P466 HydrophobicContact CE-CB 4.12Å; M455-P466 HydrophobicContact CE-CG 3.73Å; M455-L481 HydrophobicContact CE-CD2 3.52Å; M455-L481 HydrophobicContact CG-CD2 4.27Å; M455-L481 HydrophobicContact SD-CD2 3.73Å; M455-V484 HydrophobicContact SD-CG1 4.48Å; M455-V484 HydrophobicContact SD-CG2 4.35Å
456G98Very high97.6Very high38 Ų3870.2 Ų70.239%0.39242%0.418SS..Hα-helixtrans-63.6-45173.200000111.9K452 A453 V454 S459 L460K452-G456 PolarHBondContact O-N 3.37Å; A453-G456 PolarHBondContact O-N 2.64Å; V454-G456 VanDerWaalsContact C-N 3.3Å; V454-G456 PolarHBondContact O-N 3.46Å; G456-S459 PolarHBondContact O-N 3.16Å; G456-L460 VanDerWaalsContact O-CB 3.28Å; G456-L460 WeakPolarHBondContact O-CB 3.48Å; G456-L460 PolarHBondContact O-N 2.79Å
457I98.4Very high97.4Very high112 Ų11270 Ų7057%0.57442%0.416SS*.Hα-helixtrans-60-47.2174.1-67.2163.8000110.5A453 V454 S459 L460 V461A453-I457 WeakPolarHBondContact O-CG1 3.14Å; A453-I457 PolarHBondContact O-N 3.2Å; V454-I457 PolarHBondContact O-N 2.94Å; I457-S459 VanDerWaalsContact C-N 3.33Å; I457-S459 PolarHBondContact O-N 3.31Å; I457-L460 PolarHBondContact O-N 3.25Å; I457-V461 WeakPolarHBondContact O-CG2 3.35Å; I457-V461 PolarHBondContact O-N 2.71Å; I457-V461 VanDerWaalsContact O-N 3.11Å
458F98.1Very high97.1Very high93 Ų9371.7 Ų71.741%0.40842%0.424SS..Hα-helixtrans-58.8-45.8177.4-179.4-90.6000111.8V454 M455 V461 T462 P466V454-F458 PolarHBondContact O-N 2.94Å; M455-F458 PolarHBondContact O-N 3.3Å; F458-V461 PolarHBondContact O-N 3.06Å; F458-T462 HydrophobicContact CD1-CG2 4.49Å; F458-T462 HydrophobicContact CD2-CG2 4.16Å; F458-T462 HydrophobicContact CE1-CG2 4.21Å; F458-T462 WeakPolarHBondContact CE1-OG1 3.4Å; F458-T462 HydrophobicContact CE2-CG2 3.87Å; F458-T462 HydrophobicContact CG-CG2 4.47Å; F458-T462 HydrophobicContact CZ-CG2 3.9Å; F458-T462 WeakPolarHBondContact O-CB 3.44Å; F458-T462 WeakPolarHBondContact O-CG2 3.46Å; F458-T462 PolarHBondContact O-N 2.87Å; F458-T462 PolarHBondContact O-OG1 3.26Å; F458-P466 HydrophobicContact CD1-CG 3.99Å; F458-P466 HydrophobicContact CE1-CG 3.63Å; F458-P466 HydrophobicContact CZ-CG 4.41Å
459S97.9Very high96.7Very high34 Ų3472.7 Ų72.724%0.23844%0.435CS..Hα-helixtrans-66-40.5-179.6-56.30000111.9M455 G456 I457 V461 G463 K464M455-S459 WeakPolarHBondContact O-CB 3.2Å; M455-S459 PolarHBondContact O-N 3.04Å; M455-S459 PolarHBondContact O-OG 2.88Å; G456-S459 PolarHBondContact O-N 3.16Å; I457-S459 VanDerWaalsContact C-N 3.33Å; I457-S459 PolarHBondContact O-N 3.31Å; S459-V461 VanDerWaalsContact C-N 3.34Å; S459-V461 PolarHBondContact O-N 3.44Å; S459-G463 VanDerWaalsContact O-CA 3.31Å; S459-G463 WeakPolarHBondContact O-CA 3.35Å; S459-G463 PolarHBondContact O-N 3.17Å; S459-K464 WeakPolarHBondContact CA-O 3.36Å; S459-K464 PolarHBondContact OG-O 2.7Å
460L97.8Very high96.2Very high150 Ų15071 Ų7179%0.78543%0.43SS*.Hα-helixtrans-61-41.6177.7-179.865.3000112G456 I457G456-L460 VanDerWaalsContact O-CB 3.28Å; G456-L460 WeakPolarHBondContact O-CB 3.48Å; G456-L460 PolarHBondContact O-N 2.79Å; I457-L460 PolarHBondContact O-N 3.25Å
461V98.2Very high95.7Very high119 Ų11974.7 Ų74.772%0.72144%0.44SS*.Hα-helixtrans-82.8-33.5-176.4176.20000112.5I457 F458 S459I457-V461 WeakPolarHBondContact O-CG2 3.35Å; I457-V461 PolarHBondContact O-N 2.71Å; I457-V461 VanDerWaalsContact O-N 3.11Å; F458-V461 PolarHBondContact O-N 3.06Å; S459-V461 VanDerWaalsContact C-N 3.34Å; S459-V461 PolarHBondContact O-N 3.44Å
462T98Very high95.4Very high65 Ų6577.3 Ų77.340%0.39947%0.471SS..Hα-helixtrans-102-17.1-173.3660000114.5F458 K464F458-T462 HydrophobicContact CD1-CG2 4.49Å; F458-T462 HydrophobicContact CD2-CG2 4.16Å; F458-T462 HydrophobicContact CE1-CG2 4.21Å; F458-T462 WeakPolarHBondContact CE1-OG1 3.4Å; F458-T462 HydrophobicContact CE2-CG2 3.87Å; F458-T462 HydrophobicContact CG-CG2 4.47Å; F458-T462 HydrophobicContact CZ-CG2 3.9Å; F458-T462 WeakPolarHBondContact O-CB 3.44Å; F458-T462 WeakPolarHBondContact O-CG2 3.46Å; F458-T462 PolarHBondContact O-N 2.87Å; F458-T462 PolarHBondContact O-OG1 3.26Å; T462-K464 PolarHBondContact O-N 3.06Å; T462-K464 PolarHBondContact OG1-N 3.15Å; T462-K464 PolarHBondContact OG1-O 3.38Å
463G97.5Very high95.1Very high67 Ų6771.9 Ų71.969%0.69145%0.451SS*.SBendtrans67.313.8-170.900000114.3S459S459-G463 VanDerWaalsContact O-CA 3.31Å; S459-G463 WeakPolarHBondContact O-CA 3.35Å; S459-G463 PolarHBondContact O-N 3.17Å
464K97.1Very high95Very high151 Ų15171.8 Ų71.866%0.65745%0.447SS*.  trans-123.7140.1-178.6-63.6-67-174176.20110.8S459 T462S459-K464 WeakPolarHBondContact CA-O 3.36Å; S459-K464 PolarHBondContact OG-O 2.7Å; T462-K464 PolarHBondContact O-N 3.06Å; T462-K464 PolarHBondContact OG1-N 3.15Å; T462-K464 PolarHBondContact OG1-O 3.38Å
465S96.5Very high94.5Very high83 Ų8374.2 Ų74.258%0.5847%0.466SS*.  trans-115.1106.1175.6-175.50000109.8
466P96.1Very high94.3Very high25 Ų2582.6 Ų82.616%0.16250%0.496CS..  trans-59.3144.1175.4-25.836.9000112.1M455 F458 E477 L481M455-P466 HydrophobicContact CE-CB 4.12Å; M455-P466 HydrophobicContact CE-CG 3.73Å; F458-P466 HydrophobicContact CD1-CG 3.99Å; F458-P466 HydrophobicContact CE1-CG 3.63Å; F458-P466 HydrophobicContact CZ-CG 4.41Å; P466-E477 WeakPolarHBondContact CA-OE2 3.49Å; P466-E477 HydrophobicContact CB-CB 4.16Å; P466-E477 HydrophobicContact CB-CG 4.1Å; P466-L481 HydrophobicContact CB-CD1 4.45Å; P466-L481 HydrophobicContact CB-CD2 4.3Å; P466-L481 HydrophobicContact CB-CG 4.34Å
467L93.9Very high94.2Very high81 Ų8183.7 Ų83.742%0.42449%0.491SS..  trans-116.4151.7178.7-61174.7000111.6H471 G473 E477L467-H471 HydrophobicContact CB-CB 4.46Å; L467-G473 WeakPolarHBondContact O-CA 3.49Å; L467-E477 PolarHBondContact N-OE2 2.93Å; L467-E477 VanDerWaalsContact N-OE2 3.11Å; L467-E477 WeakPolarHBondContact O-CB 3.3Å
468F91.2Very high93.8Very high37 Ų3779.2 Ų79.216%0.16247%0.468CS..  trans-68.2156.7167.7-75.4-77.1000110.3A470 H471 G472 G473 N478 L481 L575 E576 P577F468-A470 VanDerWaalsContact C-N 3.29Å; F468-A470 PolarHBondContact O-N 3.16Å; F468-H471 CarbonylContact O-C 3.48Å; F468-H471 WeakPolarHBondContact O-CA 3.28Å; F468-H471 PolarHBondContact O-N 3.15Å; F468-G472 PolarHBondContact O-N 2.77Å; F468-G473 PolarHBondContact O-N 3.3Å; F468-N478 WeakPolarHBondContact CD1-OD1 3.45Å; F468-L481 HydrophobicContact CB-CD1 4.46Å; F468-L481 HydrophobicContact CD1-CB 4.11Å; F468-L481 HydrophobicContact CD1-CD1 3.98Å; F468-L481 HydrophobicContact CD2-CD1 3.88Å; F468-L481 HydrophobicContact CE1-CB 3.62Å; F468-L481 HydrophobicContact CE1-CD1 4.17Å; F468-L481 HydrophobicContact CE2-CB 4.48Å; F468-L481 HydrophobicContact CE2-CD1 4.07Å; F468-L481 HydrophobicContact CG-CD1 3.83Å; F468-L481 HydrophobicContact CZ-CB 3.83Å; F468-L481 HydrophobicContact CZ-CD1 4.21Å; F468-L575 WeakPolarHBondContact CE1-O 3.45Å; F468-E576 HydrophobicContact CD1-CB 4.23Å; F468-P577 HydrophobicContact CB-CG 4.03Å; F468-P577 HydrophobicContact CD1-CG 4.47Å; F468-P577 HydrophobicContact CD2-CG 3.8Å; F468-P577 HydrophobicContact CE2-CG 4.37Å; F468-P577 VanDerWaalsContact CG-CD 3.47Å; F468-P577 HydrophobicContact CG-CG 3.87Å
469A88.6Confident93.5Very high49 Ų4979.4 Ų79.441%0.40547%0.473SS..G310 helixtrans-57.3-42.9178.800000111.9H471 G472 N478A469-H471 PolarHBondContact O-N 3.04Å; A469-G472 PolarHBondContact O-N 2.73Å; A469-N478 HydrophobicContact CB-CB 3.97Å; A469-N478 PolarHBondContact N-OD1 2.51Å
470A86.4Confident93.4Very high57 Ų5780 Ų8047%0.47148%0.48SS..G310 helixtrans-60.4-12.3174.300000114.3F468 P577F468-A470 VanDerWaalsContact C-N 3.29Å; F468-A470 PolarHBondContact O-N 3.16Å; A470-P577 HydrophobicContact CB-CB 4.48Å
471H89.1Confident93.2Very high114 Ų11473.5 Ų73.553%0.52845%0.446SS..G310 helixtrans-11619.9177.5-58.4-29.4000112.2L467 F468 A469L467-H471 HydrophobicContact CB-CB 4.46Å; F468-H471 CarbonylContact O-C 3.48Å; F468-H471 WeakPolarHBondContact O-CA 3.28Å; F468-H471 PolarHBondContact O-N 3.15Å; A469-H471 PolarHBondContact O-N 3.04Å
472G89.6Confident93Very high72 Ų7269.5 Ų69.574%0.74242%0.42SS*.THydrogen-bonded Turntrans84.511.517700000115.2F468 A469F468-G472 PolarHBondContact O-N 2.77Å; A469-G472 PolarHBondContact O-N 2.73Å
473G92.4Very high92.9Very high13 Ų1367.8 Ų67.813%0.13441%0.408CS..  trans-73.2153.5174.100000113.2L467 F468L467-G473 WeakPolarHBondContact O-CA 3.49Å; F468-G473 PolarHBondContact O-N 3.3Å
474S94.3Very high93Very high55 Ų5566 Ų6639%0.38538%0.383SS..  trans-68.5162.117466.80000112.4R476 E477 N478S474-R476 PolarHBondContact O-N 3.13Å; S474-R476 VanDerWaalsContact O-N 3.12Å; S474-E477 VanDerWaalsContact CB-OE1 3.24Å; S474-E477 WeakPolarHBondContact CB-OE1 3.22Å; S474-E477 PolarHBondContact N-OE1 3.46Å; S474-E477 PolarHBondContact O-N 2.68Å; S474-E477 WeakPolarHBondContact OG-CG 3.06Å; S474-E477 PolarHBondContact OG-N 3.13Å; S474-E477 PolarHBondContact OG-OE1 3Å; S474-N478 PolarHBondContact O-N 3.44Å
475S89Confident93Very high110 Ų11059.1 Ų59.177%0.76935%0.353SS*.Hα-helixtrans-56.2-31.2175.2-46.50000112.9L479S475-L479 VanDerWaalsContact O-CB 3.32Å; S475-L479 WeakPolarHBondContact O-CB 3.08Å; S475-L479 PolarHBondContact O-N 2.78Å; S475-L479 VanDerWaalsContact O-N 3.11Å
476R92.9Very high93Very high210 Ų21055.4 Ų55.479%0.79233%0.328SS*.Hα-helixtrans-70.9-41.7176.7-179.3175.1-67.5-84.4-1111.7S474 A480S474-R476 PolarHBondContact O-N 3.13Å; S474-R476 VanDerWaalsContact O-N 3.12Å; R476-A480 VanDerWaalsContact O-CB 3.31Å; R476-A480 WeakPolarHBondContact O-CB 3.47Å; R476-A480 PolarHBondContact O-N 2.86Å
477E94.8Very high93.1Very high61 Ų6158.8 Ų58.829%0.28534%0.338SS..Hα-helixtrans-66.2-46.1176.5-68.7163.7-98.700110.9P466 L467 S474 L479 A480 L481P466-E477 WeakPolarHBondContact CA-OE2 3.49Å; P466-E477 HydrophobicContact CB-CB 4.16Å; P466-E477 HydrophobicContact CB-CG 4.1Å; L467-E477 PolarHBondContact N-OE2 2.93Å; L467-E477 VanDerWaalsContact N-OE2 3.11Å; L467-E477 WeakPolarHBondContact O-CB 3.3Å; S474-E477 VanDerWaalsContact CB-OE1 3.24Å; S474-E477 WeakPolarHBondContact CB-OE1 3.22Å; S474-E477 PolarHBondContact N-OE1 3.46Å; S474-E477 PolarHBondContact O-N 2.68Å; S474-E477 WeakPolarHBondContact OG-CG 3.06Å; S474-E477 PolarHBondContact OG-N 3.13Å; S474-E477 PolarHBondContact OG-OE1 3Å; E477-L479 PolarHBondContact O-N 3.38Å; E477-A480 PolarHBondContact O-N 3.06Å; E477-A480 VanDerWaalsContact O-N 3.14Å; E477-L481 WeakPolarHBondContact O-CG 3.47Å; E477-L481 PolarHBondContact O-N 2.96Å
478N90.9Very high93.3Very high17 Ų1756 Ų569%0.09132%0.323CS..Hα-helixtrans-54.5-53.1176.9-160.957.3000110.9F468 A469 S474 A480 L481 Q482 E576F468-N478 WeakPolarHBondContact CD1-OD1 3.45Å; A469-N478 HydrophobicContact CB-CB 3.97Å; A469-N478 PolarHBondContact N-OD1 2.51Å; S474-N478 PolarHBondContact O-N 3.44Å; N478-A480 VanDerWaalsContact C-N 3.33Å; N478-A480 PolarHBondContact O-N 3.1Å; N478-L481 PolarHBondContact O-N 3.11Å; N478-Q482 PolarHBondContact ND2-NE2 3.09Å; N478-Q482 WeakPolarHBondContact O-CG 3.18Å; N478-Q482 PolarHBondContact O-N 3.39Å; N478-E576 PolarHBondContact ND2-OE2 3.39Å
479L91.4Very high93.6Very high97 Ų9756 Ų5651%0.50832%0.322SS..Hα-helixtrans-61.2-39.8178.5-179.960.7000112.2S475 E477 N483S475-L479 VanDerWaalsContact O-CB 3.32Å; S475-L479 WeakPolarHBondContact O-CB 3.08Å; S475-L479 PolarHBondContact O-N 2.78Å; S475-L479 VanDerWaalsContact O-N 3.11Å; E477-L479 PolarHBondContact O-N 3.38Å; L479-N483 VanDerWaalsContact O-CB 3.3Å; L479-N483 WeakPolarHBondContact O-CB 3.45Å; L479-N483 PolarHBondContact O-N 3.26Å; L479-N483 PolarHBondContact O-ND2 2.89Å; L479-N483 VanDerWaalsContact O-ND2 3.09Å
480A94.9Very high94.1Very high47 Ų4755.7 Ų55.739%0.38831%0.313SS..Hα-helixtrans-63.5-43.9177.700000111.9R476 E477 N478 N483 V484R476-A480 VanDerWaalsContact O-CB 3.31Å; R476-A480 WeakPolarHBondContact O-CB 3.47Å; R476-A480 PolarHBondContact O-N 2.86Å; E477-A480 PolarHBondContact O-N 3.06Å; E477-A480 VanDerWaalsContact O-N 3.14Å; N478-A480 VanDerWaalsContact C-N 3.33Å; N478-A480 PolarHBondContact O-N 3.1Å; A480-N483 PolarHBondContact O-N 3.01Å; A480-V484 WeakPolarHBondContact O-CG2 3.44Å; A480-V484 PolarHBondContact O-N 3.36Å
481L95.3Very high94.7Very high14 Ų1456.8 Ų56.87%0.07331%0.313CS..Hα-helixtrans-65.3-41.2178.4-70.3172.3000112.5M455 P466 F468 E477 N478 V484 Q485M455-L481 HydrophobicContact CE-CD2 3.52Å; M455-L481 HydrophobicContact CG-CD2 4.27Å; M455-L481 HydrophobicContact SD-CD2 3.73Å; P466-L481 HydrophobicContact CB-CD1 4.45Å; P466-L481 HydrophobicContact CB-CD2 4.3Å; P466-L481 HydrophobicContact CB-CG 4.34Å; F468-L481 HydrophobicContact CB-CD1 4.46Å; F468-L481 HydrophobicContact CD1-CB 4.11Å; F468-L481 HydrophobicContact CD1-CD1 3.98Å; F468-L481 HydrophobicContact CD2-CD1 3.88Å; F468-L481 HydrophobicContact CE1-CB 3.62Å; F468-L481 HydrophobicContact CE1-CD1 4.17Å; F468-L481 HydrophobicContact CE2-CB 4.48Å; F468-L481 HydrophobicContact CE2-CD1 4.07Å; F468-L481 HydrophobicContact CG-CD1 3.83Å; F468-L481 HydrophobicContact CZ-CB 3.83Å; F468-L481 HydrophobicContact CZ-CD1 4.21Å; E477-L481 WeakPolarHBondContact O-CG 3.47Å; E477-L481 PolarHBondContact O-N 2.96Å; N478-L481 PolarHBondContact O-N 3.11Å; L481-V484 PolarHBondContact O-N 3.26Å; L481-Q485 WeakPolarHBondContact O-CG 3.34Å; L481-Q485 PolarHBondContact O-N 2.89Å; L481-Q485 PolarHBondContact O-NE2 3.17Å; L481-Q485 VanDerWaalsContact O-NE2 3.14Å
482Q93.9Very high95.2Very high35 Ų3552.9 Ų52.916%0.16430%0.296CS..Hα-helixtrans-61.7-45.5172.8-66.4-172.136.800111.2N478 V484 Q485 A486 L575 E576N478-Q482 PolarHBondContact ND2-NE2 3.09Å; N478-Q482 WeakPolarHBondContact O-CG 3.18Å; N478-Q482 PolarHBondContact O-N 3.39Å; Q482-V484 PolarHBondContact O-N 2.88Å; Q482-Q485 WeakPolarHBondContact O-CB 3.49Å; Q482-Q485 PolarHBondContact O-N 2.98Å; Q482-A486 PolarHBondContact O-N 2.99Å; Q482-L575 HydrophobicContact CB-CB 4.06Å; Q482-L575 HydrophobicContact CB-CD1 4.17Å; Q482-L575 HydrophobicContact CG-CB 3.75Å; Q482-E576 PolarHBondContact NE2-OE2 2.89Å
483N96.2Very high95.6Very high28 Ų2849.5 Ų49.515%0.1526%0.261CS..Hα-helixtrans-63.6-37.7178.9-71.2-24.7000113L479 A480 A486 R487 T527L479-N483 VanDerWaalsContact O-CB 3.3Å; L479-N483 WeakPolarHBondContact O-CB 3.45Å; L479-N483 PolarHBondContact O-N 3.26Å; L479-N483 PolarHBondContact O-ND2 2.89Å; L479-N483 VanDerWaalsContact O-ND2 3.09Å; A480-N483 PolarHBondContact O-N 3.01Å; N483-A486 PolarHBondContact O-N 3.02Å; N483-R487 WeakPolarHBondContact O-CG 3.38Å; N483-R487 PolarHBondContact O-N 2.82Å; N483-T527 HydrophobicContact CB-CG2 3.84Å; N483-T527 WeakPolarHBondContact OD1-CG2 3.49Å; N483-T527 PolarHBondContact OD1-OG1 3.18Å
484V97.7Very high95.9Very high29 Ų2952.6 Ų52.618%0.17627%0.27CS..Hα-helixtrans-60.6-48176168.20000110V451 V454 M455 A480 L481 Q482 A486 R487 I488V451-V484 HydrophobicContact CG1-CG1 4.3Å; V454-V484 HydrophobicContact CB-CG1 4.48Å; V454-V484 HydrophobicContact CG1-CG1 4.09Å; M455-V484 HydrophobicContact SD-CG1 4.48Å; M455-V484 HydrophobicContact SD-CG2 4.35Å; A480-V484 WeakPolarHBondContact O-CG2 3.44Å; A480-V484 PolarHBondContact O-N 3.36Å; L481-V484 PolarHBondContact O-N 3.26Å; Q482-V484 PolarHBondContact O-N 2.88Å; V484-A486 VanDerWaalsContact C-N 3.33Å; V484-A486 PolarHBondContact O-N 3.37Å; V484-R487 PolarHBondContact O-N 3.12Å; V484-I488 HydrophobicContact CG1-CG1 4.38Å; V484-I488 WeakPolarHBondContact O-CG1 3.37Å; V484-I488 PolarHBondContact O-N 3.09Å
485Q97.2Very high96.1Very high7 Ų753.8 Ų53.83%0.03327%0.271CS..Hα-helixtrans-58.6-45.3176.2-66.8171.483.300111.5S420 I447 V451 L481 Q482 R487 I488 R489 L575S420-Q485 PolarHBondContact OG-OE1 3.2Å; I447-Q485 HydrophobicContact CD1-CB 3.91Å; I447-Q485 HydrophobicContact CD1-CG 4.31Å; V451-Q485 HydrophobicContact CG1-CG 4.24Å; V451-Q485 HydrophobicContact CG2-CG 4.02Å; L481-Q485 WeakPolarHBondContact O-CG 3.34Å; L481-Q485 PolarHBondContact O-N 2.89Å; L481-Q485 PolarHBondContact O-NE2 3.17Å; L481-Q485 VanDerWaalsContact O-NE2 3.14Å; Q482-Q485 WeakPolarHBondContact O-CB 3.49Å; Q482-Q485 PolarHBondContact O-N 2.98Å; Q485-R487 PolarHBondContact O-N 3.36Å; Q485-I488 PolarHBondContact O-N 2.9Å; Q485-R489 WeakPolarHBondContact O-CG 3.4Å; Q485-R489 PolarHBondContact O-N 3.29Å; Q485-L575 HydrophobicContact CB-CD2 4.47Å; Q485-L575 PolarHBondContact NE2-O 3.22Å
486A96.4Very high96.6Very high6 Ų651.1 Ų51.15%0.0525%0.246CC..Hα-helixtrans-60.4-43.1179.200000112.4Q482 N483 V484 R489 M490 T527 D530Q482-A486 PolarHBondContact O-N 2.99Å; N483-A486 PolarHBondContact O-N 3.02Å; V484-A486 VanDerWaalsContact C-N 3.33Å; V484-A486 PolarHBondContact O-N 3.37Å; A486-R489 PolarHBondContact O-N 2.92Å; A486-M490 PolarHBondContact O-N 3.15Å; A486-T527 HydrophobicContact CB-CG2 4.26Å; A486-D530 HydrophobicContact CB-CB 3.58Å; A486-D530 WeakPolarHBondContact O-CB 3.35Å
487R98.4Very high96.9Very high95 Ų9541.3 Ų41.336%0.35821%0.21SC..Hα-helixtrans-72.7-35.5178.3-65.7-169.2-170.3100.45.5113.6N483 V484 Q485 R489 M490 V491 T527 K528 Y529N483-R487 WeakPolarHBondContact O-CG 3.38Å; N483-R487 PolarHBondContact O-N 2.82Å; V484-R487 PolarHBondContact O-N 3.12Å; Q485-R487 PolarHBondContact O-N 3.36Å; R487-R489 PolarHBondContact O-N 2.93Å; R487-M490 WeakPolarHBondContact O-CB 3.27Å; R487-M490 PolarHBondContact O-N 2.79Å; R487-M490 VanDerWaalsContact O-N 3.11Å; R487-V491 PolarHBondContact O-N 2.87Å; R487-T527 HydrophobicContact CG-CG2 4.4Å; R487-K528 PolarHBondContact NE-O 3.44Å; R487-K528 PolarHBondContact NH2-O 3.14Å; R487-Y529 WeakPolarHBondContact CG-O 3.44Å
488I98.5Very high97Very high24 Ų2445.2 Ų45.212%0.12323%0.228CC..Hα-helixtrans-61.2-37.7174.4-71.1-60.6000110.9I447 A450 V451 V454 V484 Q485 M490 V491 L492I447-I488 HydrophobicContact CB-CG2 3.95Å; I447-I488 HydrophobicContact CG2-CG2 4.36Å; A450-I488 HydrophobicContact CB-CG2 3.95Å; V451-I488 HydrophobicContact CG2-CB 4.41Å; V451-I488 HydrophobicContact CG2-CG1 4.22Å; V451-I488 HydrophobicContact CG2-CG2 4.45Å; V454-I488 HydrophobicContact CG2-CD1 4.13Å; V484-I488 HydrophobicContact CG1-CG1 4.38Å; V484-I488 WeakPolarHBondContact O-CG1 3.37Å; V484-I488 PolarHBondContact O-N 3.09Å; Q485-I488 PolarHBondContact O-N 2.9Å; I488-M490 VanDerWaalsContact C-N 3.31Å; I488-M490 PolarHBondContact O-N 3.48Å; I488-V491 PolarHBondContact O-N 3.38Å; I488-L492 HydrophobicContact CG2-CD1 3.97Å; I488-L492 HydrophobicContact CG2-CG 4.39Å; I488-L492 WeakPolarHBondContact O-CG 3.48Å; I488-L492 PolarHBondContact O-N 3.27Å
489R98.6Very high97.4Very high36 Ų3647.9 Ų47.914%0.13624%0.242CC..Hα-helixtrans-60.5-40.2173.2-68.6-172.2-172.796.3-7.2112.4M418 I447 Q485 A486 R487 L492 A493 C531M418-R489 HydrophobicContact CB-CG 3.86Å; M418-R489 HydrophobicContact CE-CB 3.75Å; M418-R489 HydrophobicContact CE-CG 4.24Å; M418-R489 WeakPolarHBondContact CE-O 3.32Å; M418-R489 PolarHBondContact O-NE 3.18Å; M418-R489 HydrophobicContact SD-CB 3.9Å; M418-R489 HydrophobicContact SD-CG 4.11Å; M418-R489 VanDerWaalsContact SD-O 3.4Å; I447-R489 HydrophobicContact CD1-CG 3.99Å; I447-R489 HydrophobicContact CG2-CG 4.21Å; Q485-R489 WeakPolarHBondContact O-CG 3.4Å; Q485-R489 PolarHBondContact O-N 3.29Å; A486-R489 PolarHBondContact O-N 2.92Å; R487-R489 PolarHBondContact O-N 2.93Å; R489-L492 PolarHBondContact O-N 3.24Å; R489-A493 VanDerWaalsContact O-CB 3.31Å; R489-A493 WeakPolarHBondContact O-CB 3.27Å; R489-A493 PolarHBondContact O-N 2.95Å; R489-C531 VanDerWaalsContact C-SG 3.59Å
490M98.6Very high97.7Very high42 Ų4243.3 Ų43.321%0.20722%0.218CC..Hα-helixtrans-62.5-47.5175-179.6-80.1-71.500111.5A486 R487 I488 L492 A493 Y494 Y529A486-M490 PolarHBondContact O-N 3.15Å; R487-M490 WeakPolarHBondContact O-CB 3.27Å; R487-M490 PolarHBondContact O-N 2.79Å; R487-M490 VanDerWaalsContact O-N 3.11Å; I488-M490 VanDerWaalsContact C-N 3.31Å; I488-M490 PolarHBondContact O-N 3.48Å; M490-L492 VanDerWaalsContact C-N 3.29Å; M490-L492 PolarHBondContact O-N 3.24Å; M490-A493 WeakPolarHBondContact O-CB 3.49Å; M490-A493 PolarHBondContact O-N 3.42Å; M490-Y494 HydrophobicContact CG-CD2 4.12Å; M490-Y494 HydrophobicContact CG-CE2 4.25Å; M490-Y494 PolarHBondContact O-N 3.12Å; M490-Y494 VanDerWaalsContact O-N 3.08Å; M490-Y494 HydrophobicContact SD-CD2 3.74Å; M490-Y494 HydrophobicContact SD-CE2 4.16Å; M490-Y529 WeakPolarHBondContact CE-O 3.37Å
491V98.8Very high97.9Very high81 Ų8141.2 Ų41.249%0.49120%0.2SC..Hα-helixtrans-57-45.1177.6173.70000111.1R487 I488 L495R487-V491 PolarHBondContact O-N 2.87Å; I488-V491 PolarHBondContact O-N 3.38Å; V491-L495 WeakPolarHBondContact O-CB 3.39Å; V491-L495 PolarHBondContact O-N 3.37Å
492L98.8Very high98Very high32 Ų3249.2 Ų49.217%0.16823%0.23CC..Hα-helixtrans-68.1-41.2178-68.8173.5000112M418 L445 I447 I488 R489 M490 Y494 L495 F496M418-L492 HydrophobicContact SD-CB 3.82Å; M418-L492 HydrophobicContact SD-CD1 4.47Å; L445-L492 HydrophobicContact CD1-CD1 3.86Å; I447-L492 HydrophobicContact CB-CD1 4.37Å; I447-L492 HydrophobicContact CG2-CD1 3.66Å; I488-L492 HydrophobicContact CG2-CD1 3.97Å; I488-L492 HydrophobicContact CG2-CG 4.39Å; I488-L492 WeakPolarHBondContact O-CG 3.48Å; I488-L492 PolarHBondContact O-N 3.27Å; R489-L492 PolarHBondContact O-N 3.24Å; M490-L492 VanDerWaalsContact C-N 3.29Å; M490-L492 PolarHBondContact O-N 3.24Å; L492-Y494 VanDerWaalsContact C-N 3.31Å; L492-Y494 PolarHBondContact O-N 3.39Å; L492-L495 HydrophobicContact CD2-CD2 4.39Å; L492-L495 WeakPolarHBondContact O-CB 3.36Å; L492-L495 PolarHBondContact O-N 2.98Å; L492-L495 VanDerWaalsContact O-N 3.16Å; L492-F496 VanDerWaalsContact O-CD2 3.26Å; L492-F496 WeakPolarHBondContact O-CD2 3.29Å; L492-F496 PolarHBondContact O-N 2.97Å
493A98.8Very high98.2Very high1 Ų151.4 Ų51.41%0.00825%0.249CC..Hα-helixtrans-55.5-47.3177.300000111.5L353 P355 M418 R489 M490 F496 A497 V512L353-A493 HydrophobicContact CD1-CB 3.88Å; P355-A493 HydrophobicContact CG-CB 3.88Å; M418-A493 HydrophobicContact CE-CB 4.27Å; R489-A493 VanDerWaalsContact O-CB 3.31Å; R489-A493 WeakPolarHBondContact O-CB 3.27Å; R489-A493 PolarHBondContact O-N 2.95Å; M490-A493 WeakPolarHBondContact O-CB 3.49Å; M490-A493 PolarHBondContact O-N 3.42Å; A493-F496 PolarHBondContact O-N 2.63Å; A493-A497 WeakPolarHBondContact O-CB 3.26Å; A493-A497 PolarHBondContact O-N 3.06Å; A493-V512 HydrophobicContact CB-CG1 4.44Å
494Y98.9Very high98.2Very high78 Ų7853.7 Ų53.731%0.30626%0.255SS..Hα-helixtrans-68.2-37.4176.7-86.4-81.8000113.2M490 L492 F496 A497 Q498 V512 A534 D535M490-Y494 HydrophobicContact CG-CD2 4.12Å; M490-Y494 HydrophobicContact CG-CE2 4.25Å; M490-Y494 PolarHBondContact O-N 3.12Å; M490-Y494 VanDerWaalsContact O-N 3.08Å; M490-Y494 HydrophobicContact SD-CD2 3.74Å; M490-Y494 HydrophobicContact SD-CE2 4.16Å; L492-Y494 VanDerWaalsContact C-N 3.31Å; L492-Y494 PolarHBondContact O-N 3.39Å; Y494-F496 VanDerWaalsContact C-N 3.35Å; Y494-F496 PolarHBondContact O-N 3.42Å; Y494-A497 PolarHBondContact O-N 2.93Å; Y494-Q498 WeakPolarHBondContact O-CB 3.1Å; Y494-Q498 PolarHBondContact O-N 3.16Å; Y494-V512 HydrophobicContact CD1-CG2 3.8Å; Y494-V512 HydrophobicContact CD2-CG2 4.27Å; Y494-V512 HydrophobicContact CE1-CB 4.29Å; Y494-V512 HydrophobicContact CE1-CG2 3.7Å; Y494-V512 HydrophobicContact CE2-CB 4.41Å; Y494-V512 HydrophobicContact CE2-CG1 4.37Å; Y494-V512 HydrophobicContact CE2-CG2 4.19Å; Y494-V512 HydrophobicContact CG-CG2 4.08Å; Y494-A534 VanDerWaalsContact OH-CA 3.3Å; Y494-A534 WeakPolarHBondContact OH-CA 3.47Å; Y494-D535 VanDerWaalsContact CE1-OD1 3.28Å; Y494-D535 WeakPolarHBondContact CE1-OD1 3.4Å; Y494-D535 PolarHBondContact OH-N 3.3Å; Y494-D535 PolarHBondContact OH-OD1 3.3Å
495L98.8Very high98.1Very high80 Ų8055.8 Ų55.842%0.41928%0.283SS..Hα-helixtrans-59.7-46.1174.1-178.464.7000111.4V491 L492 Q498 L499V491-L495 WeakPolarHBondContact O-CB 3.39Å; V491-L495 PolarHBondContact O-N 3.37Å; L492-L495 HydrophobicContact CD2-CD2 4.39Å; L492-L495 WeakPolarHBondContact O-CB 3.36Å; L492-L495 PolarHBondContact O-N 2.98Å; L492-L495 VanDerWaalsContact O-N 3.16Å; L495-Q498 PolarHBondContact O-N 3.4Å; L495-L499 HydrophobicContact CD1-CD1 3.72Å; L495-L499 HydrophobicContact CD1-CG 4.46Å; L495-L499 WeakPolarHBondContact O-CB 3.37Å; L495-L499 PolarHBondContact O-N 2.75Å
496F98.6Very high98Very high53 Ų5359.4 Ų59.423%0.23230%0.302CS..Hα-helixtrans-70.6-34.9176.5-81.3-79000112.4L353 I443 L445 L492 A493 Y494 Q498 L499 S500L353-F496 HydrophobicContact CD2-CB 4.4Å; I443-F496 HydrophobicContact CD1-CD1 3.57Å; I443-F496 HydrophobicContact CD1-CE1 3.88Å; I443-F496 HydrophobicContact CD1-CG 4.36Å; I443-F496 HydrophobicContact CG2-CE1 4.17Å; I443-F496 HydrophobicContact CG2-CZ 4.29Å; L445-F496 HydrophobicContact CD2-CD2 4.15Å; L445-F496 HydrophobicContact CD2-CE2 3.31Å; L445-F496 HydrophobicContact CD2-CZ 3.75Å; L492-F496 VanDerWaalsContact O-CD2 3.26Å; L492-F496 WeakPolarHBondContact O-CD2 3.29Å; L492-F496 PolarHBondContact O-N 2.97Å; A493-F496 PolarHBondContact O-N 2.63Å; Y494-F496 VanDerWaalsContact C-N 3.35Å; Y494-F496 PolarHBondContact O-N 3.42Å; F496-Q498 PolarHBondContact O-N 3.48Å; F496-L499 PolarHBondContact O-N 2.98Å; F496-S500 WeakPolarHBondContact O-CA 3.35Å; F496-S500 WeakPolarHBondContact O-CB 3.13Å; F496-S500 PolarHBondContact O-N 3.47Å
497A98.7Very high97.8Very high5 Ų569.9 Ų69.94%0.04134%0.34CS..Hα-helixtrans-59.7-37.6174.100000111.8L353 A493 Y494 L510 V512L353-A497 HydrophobicContact CB-CB 3.93Å; L353-A497 HydrophobicContact CG-CB 4.16Å; A493-A497 WeakPolarHBondContact O-CB 3.26Å; A493-A497 PolarHBondContact O-N 3.06Å; Y494-A497 PolarHBondContact O-N 2.93Å; A497-L510 HydrophobicContact CB-CB 4.25Å; A497-L510 PolarHBondContact O-N 2.86Å; A497-V512 HydrophobicContact CB-CG2 3.49Å; A497-V512 VanDerWaalsContact CB-CG2 3.49Å
498Q98.7Very high97.6Very high142 Ų14267.8 Ų67.866%0.66435%0.348SS*.Hα-helixtrans-82.5-33.7180-162.7172.619.500113.6Y494 L495 F496Y494-Q498 WeakPolarHBondContact O-CB 3.1Å; Y494-Q498 PolarHBondContact O-N 3.16Å; L495-Q498 PolarHBondContact O-N 3.4Å; F496-Q498 PolarHBondContact O-N 3.48Å
499L98.6Very high97.5Very high73 Ų7367.4 Ų67.438%0.38235%0.35SS..Hα-helixtrans-121.3-7-169.3-63.5-178.2000115.9L495 F496 L501 W502 S503L495-L499 HydrophobicContact CD1-CD1 3.72Å; L495-L499 HydrophobicContact CD1-CG 4.46Å; L495-L499 WeakPolarHBondContact O-CB 3.37Å; L495-L499 PolarHBondContact O-N 2.75Å; F496-L499 PolarHBondContact O-N 2.98Å; L499-L501 PolarHBondContact O-N 3.41Å; L499-W502 HydrophobicContact CB-CE3 4.28Å; L499-W502 HydrophobicContact CD2-CB 4.39Å; L499-W502 HydrophobicContact CD2-CD2 4.46Å; L499-W502 HydrophobicContact CD2-CE3 4.43Å; L499-W502 HydrophobicContact CD2-CG 4.44Å; L499-W502 WeakPolarHBondContact O-CB 3.48Å; L499-W502 PolarHBondContact O-N 2.79Å; L499-S503 WeakPolarHBondContact O-CB 3.29Å; L499-S503 PolarHBondContact O-N 3.18Å
500S98.2Very high97.6Very high1 Ų166.1 Ų66.11%0.00735%0.346CS..Hα-helixtrans-62.9-45179.5174.50000111.8F496 S503 R504F496-S500 WeakPolarHBondContact O-CA 3.35Å; F496-S500 WeakPolarHBondContact O-CB 3.13Å; F496-S500 PolarHBondContact O-N 3.47Å; S500-S503 PolarHBondContact O-N 2.72Å; S500-S503 PolarHBondContact O-OG 3.32Å; S500-R504 PolarHBondContact O-N 2.79Å; S500-R504 PolarHBondContact O-NE 3.1Å
501L97.9Very high97.6Very high4 Ų465.2 Ų65.22%0.02134%0.341CS..Hα-helixtrans-63.3-43.8175.5-70.2173.6000111.5A350 L499 S503 R504 G505 I506 L510A350-L501 HydrophobicContact CB-CD1 3.46Å; A350-L501 VanDerWaalsContact CB-CD1 3.46Å; L499-L501 PolarHBondContact O-N 3.41Å; L501-S503 VanDerWaalsContact C-N 3.32Å; L501-S503 PolarHBondContact O-N 2.97Å; L501-R504 CarbonylContact O-C 3.54Å; L501-R504 WeakPolarHBondContact O-CA 3.47Å; L501-R504 WeakPolarHBondContact O-CB 3.23Å; L501-R504 PolarHBondContact O-N 3.32Å; L501-G505 PolarHBondContact O-N 3.5Å; L501-I506 CarbonylContact C-O 3.56Å; L501-I506 HydrophobicContact CB-CB 4.13Å; L501-I506 HydrophobicContact CB-CG2 4.48Å; L501-I506 HydrophobicContact CD2-CB 4.03Å; L501-I506 HydrophobicContact CD2-CD1 4.19Å; L501-I506 HydrophobicContact CD2-CG2 3.92Å; L501-I506 PolarHBondContact O-N 3.26Å; L501-L510 HydrophobicContact CD1-CD2 3.61Å; L501-L510 HydrophobicContact CD1-CG 3.95Å; L501-L510 HydrophobicContact CD2-CD2 4.39Å; L501-L510 HydrophobicContact CG-CD1 4.46Å; L501-L510 HydrophobicContact CG-CD2 3.99Å; L501-L510 HydrophobicContact CG-CG 4.15Å
502W98.3Very high97.6Very high182 Ų18261.5 Ų61.569%0.68932%0.319SS*.Hα-helixtrans-56.4-44.6174.916785.7000112.2L499 R504 G505 I506L499-W502 HydrophobicContact CB-CE3 4.28Å; L499-W502 HydrophobicContact CD2-CB 4.39Å; L499-W502 HydrophobicContact CD2-CD2 4.46Å; L499-W502 HydrophobicContact CD2-CE3 4.43Å; L499-W502 HydrophobicContact CD2-CG 4.44Å; L499-W502 WeakPolarHBondContact O-CB 3.48Å; L499-W502 PolarHBondContact O-N 2.79Å; W502-R504 PolarHBondContact O-N 3.37Å; W502-R504 VanDerWaalsContact O-N 3.1Å; W502-G505 PolarHBondContact O-N 3.35Å; W502-I506 PolarHBondContact N-O 3.09Å
503S97.6Very high97.6Very high80 Ų8060 Ų6056%0.55931%0.311SS*.Hα-helixtrans-62.8-18.5178750000113.4L499 S500 L501L499-S503 WeakPolarHBondContact O-CB 3.29Å; L499-S503 PolarHBondContact O-N 3.18Å; S500-S503 PolarHBondContact O-N 2.72Å; S500-S503 PolarHBondContact O-OG 3.32Å; L501-S503 VanDerWaalsContact C-N 3.32Å; L501-S503 PolarHBondContact O-N 2.97Å
504R96.6Very high97.6Very high76 Ų7660 Ų6029%0.28731%0.312SS..THydrogen-bonded Turntrans-101.34.8175.4-65.5-177-74.1157.7-11.4113.3T414 S500 L501 W502 I506T414-R504 PolarHBondContact OG1-NH2 3.43Å; S500-R504 PolarHBondContact O-N 2.79Å; S500-R504 PolarHBondContact O-NE 3.1Å; L501-R504 CarbonylContact O-C 3.54Å; L501-R504 WeakPolarHBondContact O-CA 3.47Å; L501-R504 WeakPolarHBondContact O-CB 3.23Å; L501-R504 PolarHBondContact O-N 3.32Å; W502-R504 PolarHBondContact O-N 3.37Å; W502-R504 VanDerWaalsContact O-N 3.1Å; R504-I506 VanDerWaalsContact C-N 3.3Å; R504-I506 HydrophobicContact CB-CD1 4.11Å; R504-I506 HydrophobicContact CB-CG1 4.25Å; R504-I506 PolarHBondContact O-N 2.72Å
505G95.4Very high97.6Very high73 Ų7357.4 Ų57.475%0.75331%0.305SS*.THydrogen-bonded Turntrans72.318.9-177.200000114.5L501 W502L501-G505 PolarHBondContact O-N 3.5Å; W502-G505 PolarHBondContact O-N 3.35Å
506I94.6Very high97.5Very high84 Ų8453.7 Ų53.743%0.43129%0.286SS..  trans-103.7142.3-179.1-54.2171.2000109.1L501 W502 R504L501-I506 CarbonylContact C-O 3.56Å; L501-I506 HydrophobicContact CB-CB 4.13Å; L501-I506 HydrophobicContact CB-CG2 4.48Å; L501-I506 HydrophobicContact CD2-CB 4.03Å; L501-I506 HydrophobicContact CD2-CD1 4.19Å; L501-I506 HydrophobicContact CD2-CG2 3.92Å; L501-I506 PolarHBondContact O-N 3.26Å; W502-I506 PolarHBondContact N-O 3.09Å; R504-I506 VanDerWaalsContact C-N 3.3Å; R504-I506 HydrophobicContact CB-CD1 4.11Å; R504-I506 HydrophobicContact CB-CG1 4.25Å; R504-I506 PolarHBondContact O-N 2.72Å
507R93.1Very high97.5Very high225 Ų22551.2 Ų51.285%0.84927%0.274SS*.  trans-82.1158.2177.8-64.3-177.1179.2-175.8-0.4111.5
508G94.2Very high97.5Very high51 Ų5151 Ų5153%0.52627%0.272SS..SBendtrans97.7174.6175.300000113.8
509G96.9Very high97.4Very high17 Ų1744.2 Ų44.218%0.17524%0.241CC..  trans-118.2170.3174.700000111.4Q349 A350Q349-G509 PolarHBondContact OE1-O 3.2Å; A350-G509 PolarHBondContact N-O 3Å
510L98.8Very high97.2Very high9 Ų942 Ų425%0.04723%0.229CC..EExtended strand (participates in β ladder)trans-112.4143.2178.7-56.2172000110.3G351 L353 A497 L501G351-L510 VanDerWaalsContact C-CD2 3.5Å; G351-L510 WeakPolarHBondContact O-CA 3.43Å; L353-L510 HydrophobicContact CB-CB 3.98Å; L353-L510 HydrophobicContact CB-CD1 4.03Å; A497-L510 HydrophobicContact CB-CB 4.25Å; A497-L510 PolarHBondContact O-N 2.86Å; L501-L510 HydrophobicContact CD1-CD2 3.61Å; L501-L510 HydrophobicContact CD1-CG 3.95Å; L501-L510 HydrophobicContact CD2-CD2 4.39Å; L501-L510 HydrophobicContact CG-CD1 4.46Å; L501-L510 HydrophobicContact CG-CD2 3.99Å; L501-L510 HydrophobicContact CG-CG 4.15Å
511L98.9Very high97.2Very high22 Ų2242.3 Ų42.312%0.11523%0.231CC..EExtended strand (participates in β ladder)trans-76.5127.3167.2-67.7173.1000109.9Q349 G351 F352 L353 L513 D535 I536Q349-L511 HydrophobicContact CB-CD1 4.39Å; Q349-L511 HydrophobicContact CB-CG 3.98Å; Q349-L511 HydrophobicContact CG-CD1 4.36Å; Q349-L511 HydrophobicContact CG-CD2 3.78Å; Q349-L511 HydrophobicContact CG-CG 3.77Å; G351-L511 PolarHBondContact O-N 3.29Å; F352-L511 CarbonylContact C-O 3.38Å; F352-L511 WeakPolarHBondContact CA-O 3.41Å; F352-L511 HydrophobicContact CD1-CB 3.81Å; F352-L511 HydrophobicContact CD1-CD1 4.39Å; F352-L511 HydrophobicContact CE1-CB 4.1Å; F352-L511 HydrophobicContact CE1-CD1 3.84Å; L353-L511 PolarHBondContact N-O 3.47Å; L511-L513 PolarHBondContact O-N 3.03Å; L511-D535 WeakPolarHBondContact CA-OD2 3.43Å; L511-D535 HydrophobicContact CD2-CB 4.28Å; L511-I536 HydrophobicContact CD1-CD1 4.37Å
512V98.9Very high97.2Very high4 Ų442.3 Ų42.32%0.02423%0.231CC..EExtended strand (participates in β ladder)trans-75.1124.5173.2-174.90000109.2L353 A493 Y494 A497 A534 D535 I536L353-V512 HydrophobicContact CD1-CG1 4.44Å; L353-V512 WeakPolarHBondContact O-CA 3.04Å; A493-V512 HydrophobicContact CB-CG1 4.44Å; Y494-V512 HydrophobicContact CD1-CG2 3.8Å; Y494-V512 HydrophobicContact CD2-CG2 4.27Å; Y494-V512 HydrophobicContact CE1-CB 4.29Å; Y494-V512 HydrophobicContact CE1-CG2 3.7Å; Y494-V512 HydrophobicContact CE2-CB 4.41Å; Y494-V512 HydrophobicContact CE2-CG1 4.37Å; Y494-V512 HydrophobicContact CE2-CG2 4.19Å; Y494-V512 HydrophobicContact CG-CG2 4.08Å; A497-V512 HydrophobicContact CB-CG2 3.49Å; A497-V512 VanDerWaalsContact CB-CG2 3.49Å; V512-A534 HydrophobicContact CB-CB 4.27Å; V512-A534 HydrophobicContact CG1-CB 3.8Å; V512-A534 WeakPolarHBondContact O-CB 3.3Å; V512-D535 PolarHBondContact N-OD2 2.95Å; V512-D535 PolarHBondContact O-N 3.42Å; V512-I536 PolarHBondContact O-N 3.03Å
513L98.9Very high97.2Very high1 Ų133.8 Ų33.81%0.00520%0.199CC..BIsolated β-bridgetrans-93.9128.6175.5-63.2-176.7000111L340 F352 L353 L354 P355 T365 V369 L511 I536L340-L513 HydrophobicContact CD2-CD2 3.84Å; F352-L513 HydrophobicContact CB-CD1 3.85Å; F352-L513 HydrophobicContact CB-CG 4.11Å; F352-L513 HydrophobicContact CD1-CD1 3.95Å; F352-L513 HydrophobicContact CD1-CD2 3.57Å; F352-L513 HydrophobicContact CD1-CG 3.81Å; F352-L513 HydrophobicContact CE1-CD2 3.93Å; F352-L513 HydrophobicContact CG-CD1 3.92Å; F352-L513 HydrophobicContact CG-CD2 4.38Å; F352-L513 HydrophobicContact CG-CG 4.21Å; L353-L513 PolarHBondContact O-N 3.27Å; L354-L513 HydrophobicContact CD1-CB 4Å; P355-L513 WeakPolarHBondContact CD-O 3.25Å; T365-L513 HydrophobicContact CG2-CB 4.17Å; T365-L513 HydrophobicContact CG2-CD1 4.04Å; V369-L513 HydrophobicContact CG2-CD1 3.77Å; L511-L513 PolarHBondContact O-N 3.03Å; L513-I536 WeakPolarHBondContact CA-O 3.44Å; L513-I536 HydrophobicContact CD2-CD1 3.96Å; L513-I536 HydrophobicContact CD2-CG1 3.64Å
514G98.6Very high97.1Very high1 Ų130.2 Ų30.21%0.0117%0.174CC..PPolyproline II helixtrans-84.9159.8169.100000111.8A534 I536 N537G514-A534 VanDerWaalsContact N-CB 3.27Å; G514-I536 PolarHBondContact N-O 3.25Å; G514-N537 PolarHBondContact O-OD1 3Å
515S98.5Very high97.1Very high23 Ų2329.4 Ų29.416%0.16117%0.172CC..  trans-136.527.9178.2-59.40000113.1D361 T365D361-S515 WeakPolarHBondContact CB-O 3.46Å; T365-S515 PolarHBondContact OG1-OG 3.28Å
516A97.9Very high97.1Very high2 Ų227 Ų272%0.01714%0.141CC..  trans-72.9137.9171.600000110E520 N537 G540A516-E520 WeakPolarHBondContact CA-OE1 3.48Å; A516-E520 VanDerWaalsContact CB-OE1 3.27Å; A516-E520 WeakPolarHBondContact CB-OE1 3.33Å; A516-N537 PolarHBondContact N-ND2 3.11Å; A516-N537 PolarHBondContact O-ND2 3.33Å; A516-G540 WeakPolarHBondContact O-CA 3.31Å; A516-G540 PolarHBondContact O-N 2.83Å
517N97.9Very high97.2Very high0 Ų023.8 Ų23.80%013%0.126CC..  trans-91.8168.6174.264.671000111.7D361 D519 E520 S521 L547D361-N517 PolarHBondContact OD2-ND2 3.23Å; N517-D519 VanDerWaalsContact C-N 3.33Å; N517-D519 PolarHBondContact O-N 3.43Å; N517-D519 PolarHBondContact OD1-N 2.96Å; N517-D519 VanDerWaalsContact OD1-N 3.15Å; N517-E520 PolarHBondContact N-OE1 2.91Å; N517-E520 VanDerWaalsContact ND2-CD 3.31Å; N517-E520 PolarHBondContact ND2-OE2 2.98Å; N517-E520 WeakPolarHBondContact O-CG 3.35Å; N517-E520 PolarHBondContact OD1-N 3.34Å; N517-S521 VanDerWaalsContact O-CB 3.29Å; N517-S521 WeakPolarHBondContact O-CB 3.23Å; N517-S521 PolarHBondContact O-N 3.26Å; N517-S521 PolarHBondContact O-OG 3.1Å; N517-L547 HydrophobicContact CB-CD1 3.64Å
518V98.3Very high97.5Very high0 Ų015.4 Ų15.40%010%0.096CC..Hα-helixtrans-68.2-31.6-174.975.60000113L522 G540 I542 Y662 P664V518-L522 WeakPolarHBondContact O-CB 3.42Å; V518-L522 PolarHBondContact O-N 3.45Å; V518-G540 WeakPolarHBondContact CA-O 3.3Å; V518-G540 WeakPolarHBondContact CB-O 3.4Å; V518-I542 VanDerWaalsContact CG1-C 3.44Å; V518-I542 VanDerWaalsContact CG1-O 3.27Å; V518-I542 WeakPolarHBondContact CG1-O 3.3Å; V518-I542 PolarHBondContact N-O 3.41Å; V518-I542 VanDerWaalsContact N-O 3.09Å; V518-Y662 HydrophobicContact CG1-CE2 3.76Å; V518-Y662 WeakPolarHBondContact CG1-OH 3.35Å; V518-Y662 HydrophobicContact CG2-CE2 4.24Å; V518-P664 VanDerWaalsContact CG2-CD 3.5Å
519D97.3Very high97.7Very high0 Ų018.2 Ų18.20%09%0.091CC..Hα-helixtrans-72.6-49.9-175.5-64.5-63.9000110.6N517 S521 L522 L523 S543 K544 Y595 L598 S599 Y662N517-D519 VanDerWaalsContact C-N 3.33Å; N517-D519 PolarHBondContact O-N 3.43Å; N517-D519 PolarHBondContact OD1-N 2.96Å; N517-D519 VanDerWaalsContact OD1-N 3.15Å; D519-S521 VanDerWaalsContact C-N 3.29Å; D519-S521 PolarHBondContact O-N 2.86Å; D519-L522 WeakPolarHBondContact O-CB 3.4Å; D519-L522 PolarHBondContact O-N 3.33Å; D519-L522 VanDerWaalsContact O-N 3.15Å; D519-L523 PolarHBondContact O-N 2.97Å; D519-L523 VanDerWaalsContact O-N 3.14Å; D519-S543 WeakPolarHBondContact OD2-CA 3.48Å; D519-K544 PolarHBondContact OD2-N 3.37Å; D519-Y595 HydrophobicContact CB-CD1 3.93Å; D519-Y595 HydrophobicContact CB-CE1 4.36Å; D519-L598 HydrophobicContact CB-CD2 3.82Å; D519-L598 HydrophobicContact CB-CG 3.95Å; D519-L598 WeakPolarHBondContact O-CD2 3.45Å; D519-S599 WeakPolarHBondContact OD1-CA 3.38Å; D519-S599 PolarHBondContact OD1-N 3.4Å; D519-S599 PolarHBondContact OD1-OG 3.39Å; D519-S599 PolarHBondContact OD2-OG 3.17Å; D519-Y662 PolarHBondContact OD1-OH 3.08Å
520E95.1Very high97.7Very high27 Ų2718.6 Ų18.613%0.1269%0.089CC..Hα-helixtrans-66.1-33.517673.1-175.1-148.200111.9A516 N517 L522 L523 G524 Y525A516-E520 WeakPolarHBondContact CA-OE1 3.48Å; A516-E520 VanDerWaalsContact CB-OE1 3.27Å; A516-E520 WeakPolarHBondContact CB-OE1 3.33Å; N517-E520 PolarHBondContact N-OE1 2.91Å; N517-E520 VanDerWaalsContact ND2-CD 3.31Å; N517-E520 PolarHBondContact ND2-OE2 2.98Å; N517-E520 WeakPolarHBondContact O-CG 3.35Å; N517-E520 PolarHBondContact OD1-N 3.34Å; E520-L522 VanDerWaalsContact C-N 3.3Å; E520-L522 PolarHBondContact O-N 3.15Å; E520-L523 PolarHBondContact O-N 3.38Å; E520-G524 CarbonylContact O-C 3.59Å; E520-G524 VanDerWaalsContact O-CA 3.28Å; E520-G524 WeakPolarHBondContact O-CA 3.41Å; E520-G524 PolarHBondContact O-N 2.63Å; E520-Y525 PolarHBondContact O-N 3.36Å
521S97.9Very high97.7Very high8 Ų819.7 Ų19.76%0.05610%0.097CC..Hα-helixtrans-62.7-38173.7-62.40000111.4N517 D519 G524 L653N517-S521 VanDerWaalsContact O-CB 3.29Å; N517-S521 WeakPolarHBondContact O-CB 3.23Å; N517-S521 PolarHBondContact O-N 3.26Å; N517-S521 PolarHBondContact O-OG 3.1Å; D519-S521 VanDerWaalsContact C-N 3.29Å; D519-S521 PolarHBondContact O-N 2.86Å; S521-G524 PolarHBondContact O-N 2.81Å; S521-L653 WeakPolarHBondContact OG-CD2 3.38Å
522L98.1Very high97.5Very high3 Ų319.1 Ų19.12%0.01610%0.095CC..Hα-helixtrans-67.3-44.9178.2169.366.7000111.9V518 D519 E520 G524 L598 F639 H643 P664V518-L522 WeakPolarHBondContact O-CB 3.42Å; V518-L522 PolarHBondContact O-N 3.45Å; D519-L522 WeakPolarHBondContact O-CB 3.4Å; D519-L522 PolarHBondContact O-N 3.33Å; D519-L522 VanDerWaalsContact O-N 3.15Å; E520-L522 VanDerWaalsContact C-N 3.3Å; E520-L522 PolarHBondContact O-N 3.15Å; L522-G524 VanDerWaalsContact C-N 3.26Å; L522-L598 HydrophobicContact CD2-CD1 4.14Å; L522-F639 HydrophobicContact CD1-CZ 4.47Å; L522-F639 HydrophobicContact CD2-CE2 4.07Å; L522-F639 HydrophobicContact CD2-CZ 4.17Å; L522-F639 HydrophobicContact CG-CE2 4.24Å; L522-F639 HydrophobicContact CG-CZ 4.36Å; L522-H643 PolarHBondContact O-ND1 2.8Å; L522-P664 HydrophobicContact CB-CB 4.16Å; L522-P664 HydrophobicContact CB-CG 4.04Å; L522-P664 HydrophobicContact CD1-CB 3.98Å
523L97.6Very high97.2Very high4 Ų419.9 Ų19.92%0.02110%0.1CC..Hα-helixtrans-75.8-20.5177.5-16464.5000112.1D519 E520 Y525 M591 M593 L598 F639 K642 N646D519-L523 PolarHBondContact O-N 2.97Å; D519-L523 VanDerWaalsContact O-N 3.14Å; E520-L523 PolarHBondContact O-N 3.38Å; L523-Y525 VanDerWaalsContact C-N 3.34Å; L523-M591 HydrophobicContact CD2-CB 3.84Å; L523-M591 HydrophobicContact CD2-CG 3.71Å; L523-M591 HydrophobicContact CD2-SD 3.7Å; L523-M593 HydrophobicContact CD1-CE 3.91Å; L523-M593 HydrophobicContact CD1-SD 4.15Å; L523-M593 HydrophobicContact CD2-CE 4.15Å; L523-M593 HydrophobicContact CD2-SD 4.18Å; L523-L598 HydrophobicContact CB-CD1 4.24Å; L523-L598 HydrophobicContact CB-CD2 4.15Å; L523-L598 HydrophobicContact CD1-CD1 4.44Å; L523-L598 HydrophobicContact CD2-CD2 4.3Å; L523-F639 HydrophobicContact CD1-CD2 4.15Å; L523-K642 HydrophobicContact CD1-CB 3.62Å; L523-K642 HydrophobicContact CG-CB 4.29Å; L523-N646 WeakPolarHBondContact O-CB 3.49Å; L523-N646 PolarHBondContact O-ND2 2.79Å
524G96.4Very high97.2Very high4 Ų420.4 Ų20.44%0.04111%0.105CC..THydrogen-bonded Turntrans67.135-170.500000112.6E520 S521 L522 L526 K649E520-G524 CarbonylContact O-C 3.59Å; E520-G524 VanDerWaalsContact O-CA 3.28Å; E520-G524 WeakPolarHBondContact O-CA 3.41Å; E520-G524 PolarHBondContact O-N 2.63Å; S521-G524 PolarHBondContact O-N 2.81Å; L522-G524 VanDerWaalsContact C-N 3.26Å; G524-L526 PolarHBondContact O-N 2.94Å; G524-K649 WeakPolarHBondContact O-CD 3.49Å; G524-K649 PolarHBondContact O-NZ 2.88Å
525Y95.4Very high97.2Very high60 Ų6023 Ų2324%0.23512%0.119CC..  trans-81.368.9175.4-176-107.7000110.2E520 L523 D587 D590 M591E520-Y525 PolarHBondContact O-N 3.36Å; L523-Y525 VanDerWaalsContact C-N 3.34Å; Y525-D587 HydrophobicContact CE1-CB 4.15Å; Y525-D590 HydrophobicContact CE2-CB 4.22Å; Y525-D590 VanDerWaalsContact CE2-OD2 3.26Å; Y525-D590 WeakPolarHBondContact CE2-OD2 3.4Å; Y525-D590 PolarHBondContact OH-OD2 3.43Å; Y525-M591 HydrophobicContact CD1-CG 3.78Å; Y525-M591 HydrophobicContact CD1-SD 3.81Å; Y525-M591 HydrophobicContact CD2-CG 3.66Å; Y525-M591 HydrophobicContact CE1-CG 4.11Å; Y525-M591 HydrophobicContact CE1-SD 4.47Å; Y525-M591 HydrophobicContact CE2-CG 4.01Å; Y525-M591 HydrophobicContact CG-CG 3.54Å; Y525-M591 HydrophobicContact CG-SD 3.87Å
526L95.8Very high97.2Very high21 Ų2122.3 Ų22.311%0.1111%0.113CC..SBendtrans-157.1157.8-179.754.989.2000109.9G524 K649 L653G524-L526 PolarHBondContact O-N 2.94Å; L526-K649 HydrophobicContact CD1-CB 4.13Å; L526-K649 HydrophobicContact CD1-CD 3.88Å; L526-K649 HydrophobicContact CG-CD 4.39Å; L526-K649 WeakPolarHBondContact O-CE 3.42Å; L526-K649 PolarHBondContact O-NZ 2.97Å; L526-L653 HydrophobicContact CD1-CD1 4.18Å; L526-L653 HydrophobicContact CD2-CD1 3.7Å; L526-L653 HydrophobicContact CD2-CD2 4.34Å
527T97.3Very high97.2Very high18 Ų1822.3 Ų22.311%0.1111%0.113CC..  trans-84.4125.9174.2-57.80000109.5N483 A486 R487 Y529 D530N483-T527 HydrophobicContact CB-CG2 3.84Å; N483-T527 WeakPolarHBondContact OD1-CG2 3.49Å; N483-T527 PolarHBondContact OD1-OG1 3.18Å; A486-T527 HydrophobicContact CB-CG2 4.26Å; R487-T527 HydrophobicContact CG-CG2 4.4Å; T527-Y529 PolarHBondContact O-N 2.98Å; T527-Y529 VanDerWaalsContact O-N 3.11Å; T527-D530 WeakPolarHBondContact CB-OD2 3.37Å; T527-D530 HydrophobicContact CG2-CB 4.3Å; T527-D530 PolarHBondContact N-OD2 3.03Å; T527-D530 PolarHBondContact O-N 3.37Å; T527-D530 VanDerWaalsContact O-N 3.1Å
528K98.3Very high97.3Very high49 Ų4922.3 Ų22.321%0.21311%0.113CC..THydrogen-bonded Turntrans-60.8121.3175.8-163.7170.3179.1164.10109.7R487 H648 K649 T652R487-K528 PolarHBondContact NE-O 3.44Å; R487-K528 PolarHBondContact NH2-O 3.14Å; K528-H648 PolarHBondContact NZ-O 3.31Å; K528-K649 HydrophobicContact CB-CG 4.31Å; K528-K649 HydrophobicContact CD-CG 4.41Å; K528-T652 WeakPolarHBondContact CE-OG1 3.39Å
529Y98.3Very high97.3Very high110 Ų11022.3 Ų22.343%0.43111%0.113SC..THydrogen-bonded Turntrans69.730.1-176.1-45.8-56.5000116.1R487 M490 T527 S533R487-Y529 WeakPolarHBondContact CG-O 3.44Å; M490-Y529 WeakPolarHBondContact CE-O 3.37Å; T527-Y529 PolarHBondContact O-N 2.98Å; T527-Y529 VanDerWaalsContact O-N 3.11Å; Y529-S533 WeakPolarHBondContact CA-OG 3.36Å
530D97.9Very high97.4Very high25 Ų2522.6 Ų22.613%0.13412%0.115CC..SBendtrans-88.8-162.5160704.8000111.5A486 T527 S532 S533A486-D530 HydrophobicContact CB-CB 3.58Å; A486-D530 WeakPolarHBondContact O-CB 3.35Å; T527-D530 WeakPolarHBondContact CB-OD2 3.37Å; T527-D530 HydrophobicContact CG2-CB 4.3Å; T527-D530 PolarHBondContact N-OD2 3.03Å; T527-D530 PolarHBondContact O-N 3.37Å; T527-D530 VanDerWaalsContact O-N 3.1Å; D530-S532 PolarHBondContact O-N 3.41Å; D530-S532 WeakPolarHBondContact OD1-CA 3.31Å; D530-S532 WeakPolarHBondContact OD1-CB 3.33Å; D530-S532 PolarHBondContact OD1-N 2.92Å; D530-S532 PolarHBondContact OD1-OG 3.47Å; D530-S533 WeakPolarHBondContact O-CA 3.42Å; D530-S533 WeakPolarHBondContact O-CB 3.48Å; D530-S533 PolarHBondContact O-N 2.93Å
531C98.1Very high97.5Very high32 Ų3221.3 Ų21.322%0.21611%0.109CC..THydrogen-bonded Turntrans-64.7-2.2177-65.10000115P355 R489P355-C531 HydrophobicContact CB-CB 4.37Å; P355-C531 HydrophobicContact CG-CB 4.35Å; R489-C531 VanDerWaalsContact C-SG 3.59Å
532S95.9Very high97.5Very high10 Ų1020.9 Ų20.97%0.0711%0.107CC..THydrogen-bonded Turntrans-69.3-19.7162.767.20000112.4D530 T654D530-S532 PolarHBondContact O-N 3.41Å; D530-S532 WeakPolarHBondContact OD1-CA 3.31Å; D530-S532 WeakPolarHBondContact OD1-CB 3.33Å; D530-S532 PolarHBondContact OD1-N 2.92Å; D530-S532 PolarHBondContact OD1-OG 3.47Å; S532-T654 PolarHBondContact O-OG1 3.33Å
533S91.4Very high97.5Very high19 Ų1920.8 Ų20.813%0.13311%0.106CC..SBendtrans-98.2107.7172.2-51.90000109.3Y529 D530 T654Y529-S533 WeakPolarHBondContact CA-OG 3.36Å; D530-S533 WeakPolarHBondContact O-CA 3.42Å; D530-S533 WeakPolarHBondContact O-CB 3.48Å; D530-S533 PolarHBondContact O-N 2.93Å; S533-T654 VanDerWaalsContact CA-OG1 3.27Å; S533-T654 WeakPolarHBondContact CA-OG1 3.41Å
534A98.5Very high97.4Very high12 Ų1221.3 Ų21.310%0.09911%0.108CC..SBendtrans-141.9-173.9-174.800000108.6Y494 V512 G514 T654Y494-A534 VanDerWaalsContact OH-CA 3.3Å; Y494-A534 WeakPolarHBondContact OH-CA 3.47Å; V512-A534 HydrophobicContact CB-CB 4.27Å; V512-A534 HydrophobicContact CG1-CB 3.8Å; V512-A534 WeakPolarHBondContact O-CB 3.3Å; G514-A534 VanDerWaalsContact N-CB 3.27Å; A534-T654 HydrophobicContact CB-CG2 4.12Å; A534-T654 PolarHBondContact N-OG1 3.05Å; A534-T654 WeakPolarHBondContact O-CG2 3.43Å; A534-T654 PolarHBondContact O-OG1 3.25Å
535D98.8Very high97.3Very high57 Ų5724.2 Ų24.231%0.30513%0.125SC..SBendtrans-78.4-45.8179.4-58.5-31.7000110.6Y494 L511 V512 P655Y494-D535 VanDerWaalsContact CE1-OD1 3.28Å; Y494-D535 WeakPolarHBondContact CE1-OD1 3.4Å; Y494-D535 PolarHBondContact OH-N 3.3Å; Y494-D535 PolarHBondContact OH-OD1 3.3Å; L511-D535 WeakPolarHBondContact CA-OD2 3.43Å; L511-D535 HydrophobicContact CD2-CB 4.28Å; V512-D535 PolarHBondContact N-OD2 2.95Å; V512-D535 PolarHBondContact O-N 3.42Å; D535-P655 WeakPolarHBondContact O-CG 3.44Å
536I98.9Very high97.4Very high7 Ų722.2 Ų22.24%0.03612%0.118CC..BIsolated β-bridgetrans-144.1152.4176.357.1174.3000111.4W339 L340 F343 F352 L511 V512 L513 G514 T654W339-I536 HydrophobicContact CH2-CB 3.87Å; W339-I536 HydrophobicContact CH2-CD1 4.42Å; W339-I536 HydrophobicContact CH2-CG2 4.19Å; W339-I536 HydrophobicContact CZ3-CB 4.29Å; W339-I536 HydrophobicContact CZ3-CD1 4.24Å; L340-I536 HydrophobicContact CD2-CD1 3.85Å; F343-I536 HydrophobicContact CB-CD1 4.04Å; F343-I536 HydrophobicContact CD1-CD1 4.07Å; F343-I536 HydrophobicContact CD1-CG2 3.98Å; F343-I536 HydrophobicContact CE1-CG2 3.72Å; F343-I536 HydrophobicContact CG-CD1 3.97Å; F343-I536 HydrophobicContact CZ-CG2 4.19Å; F352-I536 HydrophobicContact CE1-CD1 4.27Å; L511-I536 HydrophobicContact CD1-CD1 4.37Å; V512-I536 PolarHBondContact O-N 3.03Å; L513-I536 WeakPolarHBondContact CA-O 3.44Å; L513-I536 HydrophobicContact CD2-CD1 3.96Å; L513-I536 HydrophobicContact CD2-CG1 3.64Å; G514-I536 PolarHBondContact N-O 3.25Å; I536-T654 VanDerWaalsContact C-CG2 3.4Å
537N98.9Very high97.5Very high2 Ų221.2 Ų21.21%0.01111%0.113CC..BIsolated β-bridgetrans-127.9106177.5-179.2-5.7000111.4G514 A516 I539 G540 T654 P655 A656 Y657G514-N537 PolarHBondContact O-OD1 3Å; A516-N537 PolarHBondContact N-ND2 3.11Å; A516-N537 PolarHBondContact O-ND2 3.33Å; N537-I539 VanDerWaalsContact C-N 3.26Å; N537-I539 PolarHBondContact O-N 2.96Å; N537-I539 VanDerWaalsContact OD1-CG1 3.29Å; N537-I539 WeakPolarHBondContact OD1-CG1 3.37Å; N537-I539 PolarHBondContact OD1-N 3.27Å; N537-G540 WeakPolarHBondContact ND2-CA 3.24Å; N537-G540 PolarHBondContact OD1-N 2.87Å; N537-T654 HydrophobicContact CB-CG2 3.82Å; N537-P655 PolarHBondContact N-O 3.41Å; N537-A656 HydrophobicContact CB-CB 4.14Å; N537-A656 CarbonylContact O-C 3.58Å; N537-A656 WeakPolarHBondContact O-CA 3.35Å; N537-A656 WeakPolarHBondContact O-CB 3.5Å; N537-Y657 PolarHBondContact O-N 3.45Å
538P98.8Very high97.5Very high0 Ų025.3 Ų25.30%013%0.127CC..THydrogen-bonded Turntrans-74.5-13.3-176.831.2-35.8000114P336 W339 L340 T365 L368P336-P538 HydrophobicContact CB-CB 4.28Å; W339-P538 HydrophobicContact CE3-CB 4.31Å; W339-P538 HydrophobicContact CZ3-CB 4.11Å; L340-P538 HydrophobicContact CD1-CB 3.94Å; L340-P538 HydrophobicContact CD1-CG 4.14Å; L340-P538 HydrophobicContact CD2-CB 4.13Å; L340-P538 HydrophobicContact CD2-CG 4.28Å; L340-P538 HydrophobicContact CG-CB 4.07Å; T365-P538 HydrophobicContact CG2-CG 3.78Å; L368-P538 HydrophobicContact CD1-CB 3.99Å; L368-P538 HydrophobicContact CD1-CG 4.23Å
539I98.8Very high97.5Very high0 Ų024.6 Ų24.60%013%0.13CC..THydrogen-bonded Turntrans-112.9-2.3-178.162.1161.7000114.2D361 L368 N537 G541 I542 L547D361-I539 HydrophobicContact CB-CD1 3.75Å; D361-I539 WeakPolarHBondContact O-CD1 3.35Å; L368-I539 HydrophobicContact CD1-CG2 3.48Å; L368-I539 VanDerWaalsContact CD1-CG2 3.48Å; N537-I539 VanDerWaalsContact C-N 3.26Å; N537-I539 PolarHBondContact O-N 2.96Å; N537-I539 VanDerWaalsContact OD1-CG1 3.29Å; N537-I539 WeakPolarHBondContact OD1-CG1 3.37Å; N537-I539 PolarHBondContact OD1-N 3.27Å; I539-G541 PolarHBondContact O-N 2.77Å; I539-I542 HydrophobicContact CB-CD1 4.37Å; I539-I542 HydrophobicContact CG2-CD1 4.23Å; I539-I542 PolarHBondContact O-N 3.48Å; I539-L547 HydrophobicContact CB-CD2 3.97Å; I539-L547 HydrophobicContact CD1-CD1 3.99Å; I539-L547 HydrophobicContact CD1-CD2 4.38Å; I539-L547 HydrophobicContact CG2-CD2 3.85Å
540G98.4Very high97.5Very high6 Ų619.3 Ų19.36%0.06211%0.109CC..THydrogen-bonded Turntrans-64.5-13.6-175.900000115.6A516 V518 N537A516-G540 WeakPolarHBondContact O-CA 3.31Å; A516-G540 PolarHBondContact O-N 2.83Å; V518-G540 WeakPolarHBondContact CA-O 3.3Å; V518-G540 WeakPolarHBondContact CB-O 3.4Å; N537-G540 WeakPolarHBondContact ND2-CA 3.24Å; N537-G540 PolarHBondContact OD1-N 2.87Å
541G98.3Very high97.6Very high0 Ų018.1 Ų18.10%010%0.103CC..THydrogen-bonded Turntrans-98.56.1171.300000115.1I539 Y657 E660I539-G541 PolarHBondContact O-N 2.77Å; G541-Y657 WeakPolarHBondContact CA-O 3.3Å; G541-Y657 PolarHBondContact N-O 3.4Å; G541-E660 WeakPolarHBondContact O-CB 3.13Å; G541-E660 WeakPolarHBondContact O-CG 3.39Å; G541-E660 PolarHBondContact O-N 2.93Å
542I98.7Very high97.6Very high0 Ų021 Ų210%011%0.113CC..SBendtrans-112.2138.8-171.7-50.9178.4000110.7I332 P336 V518 I539 D546 L547 A659I332-I542 HydrophobicContact CD1-CG2 4.04Å; I332-I542 HydrophobicContact CG1-CD1 4.36Å; I332-I542 HydrophobicContact CG1-CG2 4.46Å; I332-I542 HydrophobicContact CG2-CD1 3.92Å; P336-I542 HydrophobicContact CG-CD1 4.22Å; V518-I542 VanDerWaalsContact CG1-C 3.44Å; V518-I542 VanDerWaalsContact CG1-O 3.27Å; V518-I542 WeakPolarHBondContact CG1-O 3.3Å; V518-I542 PolarHBondContact N-O 3.41Å; V518-I542 VanDerWaalsContact N-O 3.09Å; I539-I542 HydrophobicContact CB-CD1 4.37Å; I539-I542 HydrophobicContact CG2-CD1 4.23Å; I539-I542 PolarHBondContact O-N 3.48Å; I542-D546 HydrophobicContact CG2-CB 3.88Å; I542-L547 HydrophobicContact CB-CD2 4.13Å; I542-L547 HydrophobicContact CB-CG 4.29Å; I542-L547 HydrophobicContact CD1-CD2 4.38Å; I542-L547 HydrophobicContact CG2-CD2 3.88Å; I542-L547 HydrophobicContact CG2-CG 3.92Å; I542-A659 HydrophobicContact CG1-CB 4.05Å
543S97.6Very high97.7Very high0 Ų022.7 Ų22.70%012%0.119CC..  trans-66.7148.9177.675.80000112.6D519 T545 D546 L547 Y662D519-S543 WeakPolarHBondContact OD2-CA 3.48Å; S543-T545 PolarHBondContact O-N 3.11Å; S543-T545 PolarHBondContact OG-OG1 2.98Å; S543-T545 VanDerWaalsContact OG-OG1 3.04Å; S543-D546 PolarHBondContact O-N 2.95Å; S543-D546 VanDerWaalsContact O-N 3.16Å; S543-D546 WeakPolarHBondContact OG-CB 3.49Å; S543-D546 PolarHBondContact OG-N 3.37Å; S543-D546 PolarHBondContact OG-OD2 3.42Å; S543-L547 WeakPolarHBondContact O-CG 3.21Å; S543-L547 PolarHBondContact O-N 3.4Å; S543-Y662 WeakPolarHBondContact CB-OH 3.28Å
544K95.6Very high98Very high16 Ų1621.8 Ų21.87%0.0711%0.113CC..Hα-helixtrans-59.6-37.1176.1-170.570.8162.7-163.10111.9D361 D519 L547 R548 Y595D361-K544 WeakPolarHBondContact OD1-CE 3.43Å; D361-K544 IonicContact OD1-NZ 2.74Å; D361-K544 PolarHBondContact OD1-NZ 2.9Å; D361-K544 IonicContact OD2-NZ 2.65Å; D361-K544 PolarHBondContact OD2-NZ 3.14Å; D519-K544 PolarHBondContact OD2-N 3.37Å; K544-L547 PolarHBondContact O-N 2.94Å; K544-R548 WeakPolarHBondContact O-CG 3.42Å; K544-R548 PolarHBondContact O-N 3.11Å; K544-R548 VanDerWaalsContact O-N 3.1Å; K544-Y595 HydrophobicContact CB-CD1 3.41Å; K544-Y595 VanDerWaalsContact CB-CD1 3.41Å; K544-Y595 HydrophobicContact CB-CD2 4.47Å; K544-Y595 HydrophobicContact CB-CE1 3.91Å; K544-Y595 HydrophobicContact CB-CG 3.73Å; K544-Y595 HydrophobicContact CD-CD1 4.3Å; K544-Y595 HydrophobicContact CD-CE1 3.99Å; K544-Y595 HydrophobicContact CD-CE2 4.39Å; K544-Y595 HydrophobicContact CG-CD1 3.58Å; K544-Y595 HydrophobicContact CG-CD2 3.84Å; K544-Y595 HydrophobicContact CG-CE1 3.78Å; K544-Y595 HydrophobicContact CG-CE2 4.05Å; K544-Y595 HydrophobicContact CG-CG 3.6Å
545T94.4Very high98Very high64 Ų6421.9 Ų21.939%0.39311%0.112SC..Hα-helixtrans-64.1-42.9177.247.90000111.5S543 R548 A549S543-T545 PolarHBondContact O-N 3.11Å; S543-T545 PolarHBondContact OG-OG1 2.98Å; S543-T545 VanDerWaalsContact OG-OG1 3.04Å; T545-R548 PolarHBondContact O-N 3Å; T545-A549 PolarHBondContact O-N 3.27Å; T545-A549 VanDerWaalsContact O-N 3.09Å
546D97.8Very high97.9Very high18 Ų1825.9 Ų25.910%0.09613%0.128CC..Hα-helixtrans-71.7-33.3178.3-69.2-27.2000112R207 I332 I542 S543 R548 A549 F550R207-D546 IonicContact CZ-OD1 3.09Å; R207-D546 IonicContact CZ-OD2 3.73Å; R207-D546 IonicContact NH1-OD1 3.41Å; R207-D546 IonicContact NH1-OD2 2.75Å; R207-D546 PolarHBondContact NH1-OD2 3.02Å; R207-D546 IonicContact NH2-OD1 3.56Å; R207-D546 PolarHBondContact NH2-OD1 2.8Å; R207-D546 IonicContact NH2-OD2 2.75Å; R207-D546 PolarHBondContact NH2-OD2 2.99Å; I332-D546 HydrophobicContact CD1-CB 3.79Å; I542-D546 HydrophobicContact CG2-CB 3.88Å; S543-D546 PolarHBondContact O-N 2.95Å; S543-D546 VanDerWaalsContact O-N 3.16Å; S543-D546 WeakPolarHBondContact OG-CB 3.49Å; S543-D546 PolarHBondContact OG-N 3.37Å; S543-D546 PolarHBondContact OG-OD2 3.42Å; D546-R548 VanDerWaalsContact C-N 3.35Å; D546-R548 PolarHBondContact O-N 2.98Å; D546-A549 PolarHBondContact O-N 3.14Å; D546-F550 VanDerWaalsContact O-CB 3.23Å; D546-F550 WeakPolarHBondContact O-CB 3.34Å; D546-F550 PolarHBondContact O-N 2.75Å
547L98.1Very high97.8Very high0 Ų033.1 Ų33.10%016%0.155CC..Hα-helixtrans-62.3-41.8172.9-71.3174.5000111.9A364 N517 I539 I542 S543 K544 F550 V551A364-L547 HydrophobicContact CB-CD2 3.83Å; N517-L547 HydrophobicContact CB-CD1 3.64Å; I539-L547 HydrophobicContact CB-CD2 3.97Å; I539-L547 HydrophobicContact CD1-CD1 3.99Å; I539-L547 HydrophobicContact CD1-CD2 4.38Å; I539-L547 HydrophobicContact CG2-CD2 3.85Å; I542-L547 HydrophobicContact CB-CD2 4.13Å; I542-L547 HydrophobicContact CB-CG 4.29Å; I542-L547 HydrophobicContact CD1-CD2 4.38Å; I542-L547 HydrophobicContact CG2-CD2 3.88Å; I542-L547 HydrophobicContact CG2-CG 3.92Å; S543-L547 WeakPolarHBondContact O-CG 3.21Å; S543-L547 PolarHBondContact O-N 3.4Å; K544-L547 PolarHBondContact O-N 2.94Å; L547-F550 PolarHBondContact O-N 3.49Å; L547-V551 WeakPolarHBondContact O-CB 3.45Å; L547-V551 VanDerWaalsContact O-CG2 3.27Å; L547-V551 WeakPolarHBondContact O-CG2 3.24Å; L547-V551 PolarHBondContact O-N 3.45Å
548R97.1Very high97.8Very high104 Ų10434.3 Ų34.339%0.39216%0.16SC..Hα-helixtrans-63.9-44174.7-69-179.271.582.16.1111.5V360 K544 T545 D546 V551 Q552 L567V360-R548 HydrophobicContact CG1-CG 4.07Å; K544-R548 WeakPolarHBondContact O-CG 3.42Å; K544-R548 PolarHBondContact O-N 3.11Å; K544-R548 VanDerWaalsContact O-N 3.1Å; T545-R548 PolarHBondContact O-N 3Å; D546-R548 VanDerWaalsContact C-N 3.35Å; D546-R548 PolarHBondContact O-N 2.98Å; R548-V551 PolarHBondContact O-N 3.3Å; R548-Q552 PolarHBondContact O-N 3.27Å; R548-L567 HydrophobicContact CB-CD2 4.31Å; R548-L567 HydrophobicContact CG-CD2 4.44Å; R548-L567 PolarHBondContact NH2-O 2.95Å
549A98Very high97.7Very high34 Ų3441.2 Ų41.228%0.28119%0.193SC..Hα-helixtrans-62.5-44176.600000112E329 T545 D546 Q552 F553E329-A549 HydrophobicContact CG-CB 4.31Å; T545-A549 PolarHBondContact O-N 3.27Å; T545-A549 VanDerWaalsContact O-N 3.09Å; D546-A549 PolarHBondContact O-N 3.14Å; A549-Q552 WeakPolarHBondContact O-CB 3.25Å; A549-Q552 PolarHBondContact O-N 3.37Å; A549-F553 PolarHBondContact O-N 3Å
550F98.7Very high97.6Very high0 Ų041.3 Ų41.30%019%0.193CC..Hα-helixtrans-62.6-44.3176166.3-114.2000112.5I332 A364 C367 L368 D546 L547 Q552 F553 C554I332-F550 HydrophobicContact CB-CB 4.46Å; I332-F550 HydrophobicContact CB-CD2 4.12Å; I332-F550 HydrophobicContact CB-CG 4.28Å; I332-F550 HydrophobicContact CD1-CB 4.32Å; I332-F550 HydrophobicContact CG2-CB 3.91Å; I332-F550 HydrophobicContact CG2-CD1 3.79Å; I332-F550 HydrophobicContact CG2-CD2 3.62Å; I332-F550 HydrophobicContact CG2-CE1 4.22Å; I332-F550 HydrophobicContact CG2-CE2 4.08Å; I332-F550 HydrophobicContact CG2-CG 3.46Å; I332-F550 VanDerWaalsContact CG2-CG 3.46Å; I332-F550 HydrophobicContact CG2-CZ 4.35Å; A364-F550 HydrophobicContact CB-CD1 3.99Å; A364-F550 HydrophobicContact CB-CE1 4.04Å; C367-F550 HydrophobicContact CB-CE1 3.91Å; C367-F550 HydrophobicContact CB-CZ 3.84Å; L368-F550 HydrophobicContact CD2-CE1 3.92Å; L368-F550 HydrophobicContact CD2-CE2 4.29Å; L368-F550 HydrophobicContact CD2-CZ 3.55Å; L368-F550 HydrophobicContact CG-CE1 4.06Å; L368-F550 HydrophobicContact CG-CZ 4.08Å; D546-F550 VanDerWaalsContact O-CB 3.23Å; D546-F550 WeakPolarHBondContact O-CB 3.34Å; D546-F550 PolarHBondContact O-N 2.75Å; L547-F550 PolarHBondContact O-N 3.49Å; F550-Q552 VanDerWaalsContact C-N 3.29Å; F550-Q552 PolarHBondContact O-N 3.22Å; F550-F553 HydrophobicContact CD2-CD1 4.37Å; F550-F553 WeakPolarHBondContact O-CB 3.39Å; F550-F553 PolarHBondContact O-N 3.22Å; F550-C554 WeakPolarHBondContact CE2-SG 3.37Å; F550-C554 WeakPolarHBondContact CZ-SG 3.41Å; F550-C554 PolarHBondContact O-N 3.43Å; F550-C554 PolarHBondContact O-SG 3.38Å
551V98.3Very high97.6Very high0 Ų044.7 Ų44.70%021%0.213CC..Hα-helixtrans-64.3-37.1176.6170.60000110.8V360 A364 L547 R548 C554 I555 L563 L567V360-V551 HydrophobicContact CG1-CG2 4.12Å; A364-V551 HydrophobicContact CB-CG2 3.72Å; L547-V551 WeakPolarHBondContact O-CB 3.45Å; L547-V551 VanDerWaalsContact O-CG2 3.27Å; L547-V551 WeakPolarHBondContact O-CG2 3.24Å; L547-V551 PolarHBondContact O-N 3.45Å; R548-V551 PolarHBondContact O-N 3.3Å; V551-C554 WeakPolarHBondContact O-CB 3.4Å; V551-C554 PolarHBondContact O-N 3.32Å; V551-I555 PolarHBondContact O-N 3.32Å; V551-L563 HydrophobicContact CG1-CB 3.94Å; V551-L563 HydrophobicContact CG1-CD1 4.14Å; V551-L563 HydrophobicContact CG1-CD2 4Å; V551-L563 HydrophobicContact CG1-CG 4.24Å; V551-L567 HydrophobicContact CB-CD2 4.11Å; V551-L567 HydrophobicContact CB-CG 4.46Å; V551-L567 HydrophobicContact CG1-CD1 3.94Å; V551-L567 HydrophobicContact CG1-CD2 3.85Å; V551-L567 HydrophobicContact CG1-CG 3.72Å
552Q98.3Very high97.5Very high92 Ų9244.9 Ų44.943%0.4321%0.214SC..Hα-helixtrans-62.6-46.3173-178.961.54300111.4R548 A549 F550 C554 I555 L567R548-Q552 PolarHBondContact O-N 3.27Å; A549-Q552 WeakPolarHBondContact O-CB 3.25Å; A549-Q552 PolarHBondContact O-N 3.37Å; F550-Q552 VanDerWaalsContact C-N 3.29Å; F550-Q552 PolarHBondContact O-N 3.22Å; Q552-C554 VanDerWaalsContact C-N 3.26Å; Q552-C554 PolarHBondContact O-N 2.8Å; Q552-I555 WeakPolarHBondContact O-CB 3.41Å; Q552-I555 PolarHBondContact O-N 3.47Å; Q552-L567 HydrophobicContact CB-CD1 3.96Å; Q552-L567 VanDerWaalsContact OE1-CD1 3.27Å
553F98.4Very high97.5Very high46 Ų4644.9 Ų44.920%0.20221%0.214CC..Hα-helixtrans-57.4-38.1174.3167.4-93.4000112.5E329 E330 A549 F550 I555 E556 R557E329-F553 HydrophobicContact CB-CB 3.73Å; E329-F553 HydrophobicContact CB-CD1 4.04Å; E329-F553 HydrophobicContact CB-CD2 3.96Å; E329-F553 HydrophobicContact CB-CG 3.65Å; E329-F553 HydrophobicContact CG-CB 3.97Å; E329-F553 HydrophobicContact CG-CG 4.39Å; E330-F553 HydrophobicContact CG-CE2 4.08Å; E330-F553 HydrophobicContact CG-CZ 3.82Å; A549-F553 PolarHBondContact O-N 3Å; F550-F553 HydrophobicContact CD2-CD1 4.37Å; F550-F553 WeakPolarHBondContact O-CB 3.39Å; F550-F553 PolarHBondContact O-N 3.22Å; F553-I555 VanDerWaalsContact C-N 3.29Å; F553-I555 PolarHBondContact O-N 2.88Å; F553-E556 PolarHBondContact O-N 3.08Å; F553-R557 HydrophobicContact CD1-CB 4.14Å; F553-R557 HydrophobicContact CE1-CB 3.74Å; F553-R557 HydrophobicContact CE1-CG 3.75Å; F553-R557 HydrophobicContact CE2-CB 4.29Å; F553-R557 HydrophobicContact CZ-CB 3.83Å; F553-R557 HydrophobicContact CZ-CG 3.69Å; F553-R557 VanDerWaalsContact O-CB 3.32Å; F553-R557 WeakPolarHBondContact O-CB 3.41Å; F553-R557 PolarHBondContact O-N 3.18Å
554C98.6Very high97.5Very high0 Ų050 Ų500%024%0.238CC..Hα-helixtrans-64.8-28.3179.1-71.40000113.8C367 F550 V551 Q552 E556 F558 L563C367-C554 HydrophobicContact CB-CB 4.39Å; F550-C554 WeakPolarHBondContact CE2-SG 3.37Å; F550-C554 WeakPolarHBondContact CZ-SG 3.41Å; F550-C554 PolarHBondContact O-N 3.43Å; F550-C554 PolarHBondContact O-SG 3.38Å; V551-C554 WeakPolarHBondContact O-CB 3.4Å; V551-C554 PolarHBondContact O-N 3.32Å; Q552-C554 VanDerWaalsContact C-N 3.26Å; Q552-C554 PolarHBondContact O-N 2.8Å; C554-E556 VanDerWaalsContact C-N 3.32Å; C554-E556 PolarHBondContact O-N 3.01Å; C554-F558 HydrophobicContact CB-CD2 3.86Å; C554-F558 HydrophobicContact CB-CE2 4.48Å; C554-F558 WeakPolarHBondContact O-CB 3.39Å; C554-F558 PolarHBondContact O-N 2.9Å; C554-L563 HydrophobicContact CB-CD1 3.54Å
555I98.2Very high97.5Very high13 Ų1351.5 Ų51.57%0.06725%0.251CS..Hα-helixtrans-57-50.4176-68.5163.7000109.6V551 Q552 F553 Q559 L560 L563 Q564 L567V551-I555 PolarHBondContact O-N 3.32Å; Q552-I555 WeakPolarHBondContact O-CB 3.41Å; Q552-I555 PolarHBondContact O-N 3.47Å; F553-I555 VanDerWaalsContact C-N 3.29Å; F553-I555 PolarHBondContact O-N 2.88Å; I555-Q559 WeakPolarHBondContact O-CA 3.45Å; I555-Q559 PolarHBondContact O-N 3.44Å; I555-L560 PolarHBondContact O-N 3.16Å; I555-L563 HydrophobicContact CD1-CB 4.16Å; I555-L563 HydrophobicContact CG1-CB 3.61Å; I555-L563 HydrophobicContact CG1-CD1 4.23Å; I555-Q564 HydrophobicContact CD1-CG 3.69Å; I555-Q564 HydrophobicContact CG1-CG 4.27Å; I555-Q564 HydrophobicContact CG2-CG 4.19Å; I555-L567 HydrophobicContact CD1-CD1 3.86Å
556E95.6Very high97.6Very high141 Ų14148.5 Ų48.566%0.65923%0.232SC*.Hα-helixtrans-80.3-44.2-177-64.7179.1-168.600111.6F553 C554 Q559F553-E556 PolarHBondContact O-N 3.08Å; C554-E556 VanDerWaalsContact C-N 3.32Å; C554-E556 PolarHBondContact O-N 3.01Å; E556-Q559 PolarHBondContact O-NE2 3.35Å
557R97.8Very high97.4Very high160 Ų16048.4 Ų48.460%0.60423%0.231SC*.Hα-helixtrans-68.2-40.2-175.1-174.960.8172.6-164.6-5.7113F553F553-R557 HydrophobicContact CD1-CB 4.14Å; F553-R557 HydrophobicContact CE1-CB 3.74Å; F553-R557 HydrophobicContact CE1-CG 3.75Å; F553-R557 HydrophobicContact CE2-CB 4.29Å; F553-R557 HydrophobicContact CZ-CB 3.83Å; F553-R557 HydrophobicContact CZ-CG 3.69Å; F553-R557 VanDerWaalsContact O-CB 3.32Å; F553-R557 WeakPolarHBondContact O-CB 3.41Å; F553-R557 PolarHBondContact O-N 3.18Å
558F97.8Very high97.1Very high26 Ų2653.3 Ų53.311%0.11427%0.266CS..Hα-helixtrans-110.7-0.3-174.5-60-52.4000113.6Y370 C554 L560Y370-F558 HydrophobicContact CD1-CB 4.07Å; Y370-F558 HydrophobicContact CD1-CD1 4.19Å; Y370-F558 HydrophobicContact CD1-CG 4.05Å; Y370-F558 HydrophobicContact CE1-CB 3.96Å; Y370-F558 HydrophobicContact CE1-CD1 4.24Å; Y370-F558 HydrophobicContact CE1-CG 4.26Å; C554-F558 HydrophobicContact CB-CD2 3.86Å; C554-F558 HydrophobicContact CB-CE2 4.48Å; C554-F558 WeakPolarHBondContact O-CB 3.39Å; C554-F558 PolarHBondContact O-N 2.9Å; F558-L560 VanDerWaalsContact C-N 3.29Å; F558-L560 HydrophobicContact CB-CD1 3.89Å; F558-L560 HydrophobicContact CB-CG 3.81Å; F558-L560 PolarHBondContact O-N 3.49Å
559Q97.3Very high96.7Very high145 Ų14549.4 Ų49.468%0.67826%0.256SS*.  trans59.438.4178.8-57.6-67.2-4900112.8I555 E556 T561I555-Q559 WeakPolarHBondContact O-CA 3.45Å; I555-Q559 PolarHBondContact O-N 3.44Å; E556-Q559 PolarHBondContact O-NE2 3.35Å; Q559-T561 PolarHBondContact O-N 3.4Å
560L97.7Very high95.8Very high3 Ų352 Ų522%0.01627%0.27CS..  trans-97.983.5-178.2-59.7177.8000110.7Y370 L434 Q437 I438 I555 F558 A562 L563Y370-L560 HydrophobicContact CD1-CD1 4.25Å; Y370-L560 HydrophobicContact CE1-CD2 4.48Å; L434-L560 HydrophobicContact CD1-CD1 4.38Å; Q437-L560 HydrophobicContact CB-CD2 3.75Å; I438-L560 HydrophobicContact CG2-CD1 3.83Å; I438-L560 HydrophobicContact CG2-CD2 3.85Å; I555-L560 PolarHBondContact O-N 3.16Å; F558-L560 VanDerWaalsContact C-N 3.29Å; F558-L560 HydrophobicContact CB-CD1 3.89Å; F558-L560 HydrophobicContact CB-CG 3.81Å; F558-L560 PolarHBondContact O-N 3.49Å; L560-A562 PolarHBondContact O-N 2.94Å; L560-L563 HydrophobicContact CB-CD1 3.74Å; L560-L563 HydrophobicContact CB-CG 3.98Å; L560-L563 HydrophobicContact CD1-CD1 4.19Å; L560-L563 WeakPolarHBondContact O-CB 3.39Å; L560-L563 WeakPolarHBondContact O-CG 3.44Å; L560-L563 PolarHBondContact O-N 3.13Å
561T97.3Very high94.8Very high77 Ų7753.9 Ų53.947%0.47229%0.285SS..THydrogen-bonded Turntrans-65.4-23.6-176.458.60000114Q437 Q559 L563 Q564Q437-T561 PolarHBondContact NE2-OG1 3.4Å; Q559-T561 PolarHBondContact O-N 3.4Å; T561-L563 PolarHBondContact O-N 3.33Å; T561-L563 VanDerWaalsContact O-N 3.11Å; T561-Q564 WeakPolarHBondContact O-CB 3.35Å; T561-Q564 PolarHBondContact O-N 3.34Å; T561-Q564 VanDerWaalsContact O-N 3.11Å
562A97.3Very high93.8Very high3 Ų355.6 Ų55.63%0.02530%0.296CS..Hα-helixtrans-60.3-22.2176.800000112.7E433 L434 L560 Q564 S565 I566E433-A562 HydrophobicContact CB-CB 3.85Å; L434-A562 HydrophobicContact CB-CB 4.13Å; L560-A562 PolarHBondContact O-N 2.94Å; A562-Q564 VanDerWaalsContact C-N 3.28Å; A562-Q564 PolarHBondContact O-N 3.45Å; A562-S565 PolarHBondContact O-OG 2.93Å; A562-I566 WeakPolarHBondContact O-CG1 3.32Å
563L98.1Very high92.7Very high0 Ų053.2 Ų53.20%029%0.292CS..Hα-helixtrans-70.4-22.7178.9-60.6176.5000113.1A363 L434 V551 C554 I555 L560 T561 I566 L567A363-L563 HydrophobicContact CB-CD2 3.99Å; L434-L563 HydrophobicContact CD1-CD2 3.66Å; L434-L563 HydrophobicContact CD1-CG 4.19Å; L434-L563 HydrophobicContact CD2-CD2 3.93Å; L434-L563 HydrophobicContact CG-CD2 4.42Å; V551-L563 HydrophobicContact CG1-CB 3.94Å; V551-L563 HydrophobicContact CG1-CD1 4.14Å; V551-L563 HydrophobicContact CG1-CD2 4Å; V551-L563 HydrophobicContact CG1-CG 4.24Å; C554-L563 HydrophobicContact CB-CD1 3.54Å; I555-L563 HydrophobicContact CD1-CB 4.16Å; I555-L563 HydrophobicContact CG1-CB 3.61Å; I555-L563 HydrophobicContact CG1-CD1 4.23Å; L560-L563 HydrophobicContact CB-CD1 3.74Å; L560-L563 HydrophobicContact CB-CG 3.98Å; L560-L563 HydrophobicContact CD1-CD1 4.19Å; L560-L563 WeakPolarHBondContact O-CB 3.39Å; L560-L563 WeakPolarHBondContact O-CG 3.44Å; L560-L563 PolarHBondContact O-N 3.13Å; T561-L563 PolarHBondContact O-N 3.33Å; T561-L563 VanDerWaalsContact O-N 3.11Å; L563-I566 HydrophobicContact CD2-CD1 4.2Å; L563-I566 PolarHBondContact O-N 3.19Å; L563-L567 PolarHBondContact O-N 3.33Å
564Q97.3Very high91.7Very high108 Ų10852.6 Ų52.651%0.50529%0.29SS..Hα-helixtrans-63.4-45.5178.9-68.5176.43.800111.6I555 T561 A562 I566 L567 S568I555-Q564 HydrophobicContact CD1-CG 3.69Å; I555-Q564 HydrophobicContact CG1-CG 4.27Å; I555-Q564 HydrophobicContact CG2-CG 4.19Å; T561-Q564 WeakPolarHBondContact O-CB 3.35Å; T561-Q564 PolarHBondContact O-N 3.34Å; T561-Q564 VanDerWaalsContact O-N 3.11Å; A562-Q564 VanDerWaalsContact C-N 3.28Å; A562-Q564 PolarHBondContact O-N 3.45Å; Q564-I566 VanDerWaalsContact C-N 3.32Å; Q564-L567 PolarHBondContact O-N 2.83Å; Q564-S568 WeakPolarHBondContact O-CB 3.31Å; Q564-S568 PolarHBondContact O-N 3.49Å; Q564-S568 VanDerWaalsContact O-N 3.13Å; Q564-S568 PolarHBondContact O-OG 2.93Å
565S95.5Very high90.7Very high47 Ų4753.8 Ų53.833%0.32930%0.296SS..Hα-helixtrans-69.2-32.2177.3640000111.5R430 A562 A569R430-S565 WeakPolarHBondContact CG-OG 3.42Å; A562-S565 PolarHBondContact O-OG 2.93Å; S565-A569 WeakPolarHBondContact O-CB 3.46Å; S565-A569 PolarHBondContact O-N 3.43Å; S565-A569 VanDerWaalsContact O-N 3.15Å
566I95.9Very high89.7Confident2 Ų255.1 Ų55.11%0.0130%0.302CS..Hα-helixtrans-67.1-43.5175.2-65.9171.7000111.6V360 A363 R430 L434 A562 L563 Q564V360-I566 HydrophobicContact CG2-CG2 4.18Å; A363-I566 HydrophobicContact CB-CD1 3.96Å; A363-I566 HydrophobicContact CB-CG2 4.1Å; R430-I566 HydrophobicContact CB-CD1 4.33Å; R430-I566 HydrophobicContact CB-CG1 3.83Å; R430-I566 HydrophobicContact CG-CG1 4.19Å; L434-I566 HydrophobicContact CB-CD1 4.29Å; L434-I566 HydrophobicContact CD2-CD1 3.94Å; A562-I566 WeakPolarHBondContact O-CG1 3.32Å; L563-I566 HydrophobicContact CD2-CD1 4.2Å; L563-I566 PolarHBondContact O-N 3.19Å; Q564-I566 VanDerWaalsContact C-N 3.32Å
567L94.4Very high88.7Confident15 Ų1549.2 Ų49.28%0.07928%0.276CS..Hα-helixtrans-69.5-33.7179.3-79.2174.4000113.4V360 R548 V551 Q552 I555 L563 Q564V360-L567 HydrophobicContact CG2-CD2 4.26Å; R548-L567 HydrophobicContact CB-CD2 4.31Å; R548-L567 HydrophobicContact CG-CD2 4.44Å; R548-L567 PolarHBondContact NH2-O 2.95Å; V551-L567 HydrophobicContact CB-CD2 4.11Å; V551-L567 HydrophobicContact CB-CG 4.46Å; V551-L567 HydrophobicContact CG1-CD1 3.94Å; V551-L567 HydrophobicContact CG1-CD2 3.85Å; V551-L567 HydrophobicContact CG1-CG 3.72Å; Q552-L567 HydrophobicContact CB-CD1 3.96Å; Q552-L567 VanDerWaalsContact OE1-CD1 3.27Å; I555-L567 HydrophobicContact CD1-CD1 3.86Å; L563-L567 PolarHBondContact O-N 3.33Å; Q564-L567 PolarHBondContact O-N 2.83Å
568S92.3Very high87.2Confident104 Ų10445.8 Ų45.873%0.72727%0.269SS*.Hα-helixtrans-79.9-19.8-179-53.90000112.8Q564Q564-S568 WeakPolarHBondContact O-CB 3.31Å; Q564-S568 PolarHBondContact O-N 3.49Å; Q564-S568 VanDerWaalsContact O-N 3.13Å; Q564-S568 PolarHBondContact O-OG 2.93Å
569A87.5Confident85.3Confident21 Ų2147 Ų4717%0.17428%0.284CS..SBendtrans-69.5142.5178.700000111.4S565S565-A569 WeakPolarHBondContact O-CB 3.46Å; S565-A569 PolarHBondContact O-N 3.43Å; S565-A569 VanDerWaalsContact O-N 3.15Å
570P78.7Confident83.4Confident88 Ų8848.3 Ų48.357%0.57130%0.295SS*.  trans-63.8138.7173.127.7-33.4000110.2T572P570-T572 PolarHBondContact O-N 3.26Å
571A79.3Confident81.4Confident40 Ų4051.1 Ų51.133%0.33133%0.326SS..  trans-76.6103.8175.800000109.6T586 D587A571-T586 WeakPolarHBondContact O-CA 3.29Å; A571-D587 PolarHBondContact O-N 2.99Å; A571-D587 VanDerWaalsContact O-N 3.11Å
572T76.6Confident79.4Confident36 Ų3654.7 Ų54.722%0.22134%0.337CS..  trans-142.1147.1178.8-178.80000111.2P570 E574 V583 Q585P570-T572 PolarHBondContact O-N 3.26Å; T572-E574 HydrophobicContact CG2-CG 4.38Å; T572-V583 HydrophobicContact CG2-CG1 3.55Å; T572-V583 HydrophobicContact CG2-CG2 4.35Å; T572-V583 WeakPolarHBondContact OG1-CG1 3.38Å; T572-Q585 PolarHBondContact OG1-O 2.81Å
573A74.3Confident77.6Confident43 Ų4357.7 Ų57.736%0.35536%0.355SS..  trans-91.6104.5168.900000109.9L575A573-L575 HydrophobicContact CB-CD1 4.21Å; A573-L575 HydrophobicContact CB-CG 4.14Å; A573-L575 PolarHBondContact O-N 3.37Å
574E77.9Confident75.6Confident33 Ų3360.1 Ų60.115%0.15437%0.372CS..THydrogen-bonded Turntrans-72.456.2178-60.7178.3162.600112.3S420 S423 S424 T427 T572S420-E574 PolarHBondContact OG-O 3.04Å; S423-E574 VanDerWaalsContact CA-OE2 3.32Å; S423-E574 WeakPolarHBondContact CA-OE2 3.37Å; S424-E574 WeakPolarHBondContact CB-OE1 3.48Å; S424-E574 PolarHBondContact N-OE2 3.11Å; S424-E574 PolarHBondContact OG-OE1 3.23Å; S424-E574 PolarHBondContact OG-OE2 3.23Å; T427-E574 WeakPolarHBondContact CG2-OE1 3.49Å; T427-E574 WeakPolarHBondContact CG2-OE2 3.35Å; T427-E574 PolarHBondContact OG1-OE2 2.94Å; T572-E574 HydrophobicContact CG2-CG 4.38Å
575L77.3Confident74.4Confident25 Ų2558.6 Ų58.613%0.13137%0.365CS..THydrogen-bonded Turntrans-104-16.7-177-60.4-177.8000113N422 F468 Q482 Q485 A573N422-L575 PolarHBondContact ND2-O 3.01Å; N422-L575 VanDerWaalsContact ND2-O 3.1Å; F468-L575 WeakPolarHBondContact CE1-O 3.45Å; Q482-L575 HydrophobicContact CB-CB 4.06Å; Q482-L575 HydrophobicContact CB-CD1 4.17Å; Q482-L575 HydrophobicContact CG-CB 3.75Å; Q485-L575 HydrophobicContact CB-CD2 4.47Å; Q485-L575 PolarHBondContact NE2-O 3.22Å; A573-L575 HydrophobicContact CB-CD1 4.21Å; A573-L575 HydrophobicContact CB-CG 4.14Å; A573-L575 PolarHBondContact O-N 3.37Å
576E78.1Confident73.7Confident41 Ų4158.5 Ų58.519%0.19236%0.362CS..SBendtrans-116.2153.8176.662.3-174.9-171.800112.3N422 F468 N478 Q482 S584N422-E576 WeakPolarHBondContact CB-O 3.27Å; F468-E576 HydrophobicContact CD1-CB 4.23Å; N478-E576 PolarHBondContact ND2-OE2 3.39Å; Q482-E576 PolarHBondContact NE2-OE2 2.89Å; E576-S584 VanDerWaalsContact OE1-CB 3.25Å; E576-S584 WeakPolarHBondContact OE1-CB 3.27Å
577P73.9Confident73Confident16 Ų1659.5 Ų59.510%0.10437%0.367CS..PPolyproline II helixtrans-60.9139.1176-18.830.8000110.8F468 A470 A579F468-P577 HydrophobicContact CB-CG 4.03Å; F468-P577 HydrophobicContact CD1-CG 4.47Å; F468-P577 HydrophobicContact CD2-CG 3.8Å; F468-P577 HydrophobicContact CE2-CG 4.37Å; F468-P577 VanDerWaalsContact CG-CD 3.47Å; F468-P577 HydrophobicContact CG-CG 3.87Å; A470-P577 HydrophobicContact CB-CB 4.48Å; P577-A579 PolarHBondContact O-N 3.38Å
578L67.5Low72.6Confident88 Ų8862.2 Ų62.246%0.46138%0.38SS..PPolyproline II helixtrans-59.5129173.2-57.7172.3000110Q582 V583L578-Q582 WeakPolarHBondContact CB-O 3.47Å; L578-Q582 WeakPolarHBondContact CD2-O 3.45Å; L578-V583 HydrophobicContact CD2-CB 4.48Å; L578-V583 HydrophobicContact CD2-CG2 4.11Å
579A58.1Low72.2Confident52 Ų5262.9 Ų62.943%0.4337%0.372SS..BIsolated β-bridgetrans-78.2119.416500000108.4P577 G581 Q582 S584P577-A579 PolarHBondContact O-N 3.38Å; A579-G581 PolarHBondContact O-N 3.29Å; A579-G581 VanDerWaalsContact O-N 3.09Å; A579-Q582 PolarHBondContact O-N 2.88Å; A579-S584 PolarHBondContact N-OG 3.22Å
580D56.2Low72Confident172 Ų17265.6 Ų65.692%0.9238%0.383SS*.THydrogen-bonded Turntrans52.232.4178.7-60-32.2000115.6Q582D580-Q582 VanDerWaalsContact C-N 3.26Å; D580-Q582 PolarHBondContact O-N 3.11Å
581G55.8Low72.4Confident63 Ų6361.6 Ų61.665%0.64936%0.357SS*.THydrogen-bonded Turntrans76.87.3179.100000114.8A579A579-G581 PolarHBondContact O-N 3.29Å; A579-G581 VanDerWaalsContact O-N 3.09Å
582Q55.2Low72.9Confident151 Ų15161.8 Ų61.871%0.70636%0.363SS*.BIsolated β-bridgetrans-107.8145.5174.4-63.9-167.2-1.500111.8L578 A579 D580 S584L578-Q582 WeakPolarHBondContact CB-O 3.47Å; L578-Q582 WeakPolarHBondContact CD2-O 3.45Å; A579-Q582 PolarHBondContact O-N 2.88Å; D580-Q582 VanDerWaalsContact C-N 3.26Å; D580-Q582 PolarHBondContact O-N 3.11Å; Q582-S584 PolarHBondContact O-N 2.75Å
583V59.5Low73.7Confident66 Ų6660.4 Ų60.440%0.435%0.354SS..  trans-59.8126.1172.4175.20000108.2T572 L578T572-V583 HydrophobicContact CG2-CG1 3.55Å; T572-V583 HydrophobicContact CG2-CG2 4.35Å; T572-V583 WeakPolarHBondContact OG1-CG1 3.38Å; L578-V583 HydrophobicContact CD2-CB 4.48Å; L578-V583 HydrophobicContact CD2-CG2 4.11Å
584S56.9Low74.6Confident52 Ų5260.8 Ų60.836%0.36435%0.352SS..  trans-76.6-29.6-165.5-55.70000114E576 A579 Q582E576-S584 VanDerWaalsContact OE1-CB 3.25Å; E576-S584 WeakPolarHBondContact OE1-CB 3.27Å; A579-S584 PolarHBondContact N-OG 3.22Å; Q582-S584 PolarHBondContact O-N 2.75Å
585Q71.4Confident75.3Confident76 Ų7659.8 Ų59.836%0.35535%0.347SS..  trans-164.2147.4-179.2-158.6168.23.600112.4T572 E589 D590T572-Q585 PolarHBondContact OG1-O 2.81Å; Q585-E589 HydrophobicContact CG-CB 3.68Å; Q585-E589 VanDerWaalsContact NE2-C 3.34Å; Q585-E589 PolarHBondContact NE2-O 2.91Å; Q585-D590 HydrophobicContact CG-CB 4.39Å; Q585-D590 VanDerWaalsContact NE2-CA 3.3Å
586T80.4Confident76Confident45 Ų4561.4 Ų61.428%0.27636%0.363SS..  trans-87.4158.6168.862.80000112A571 E588 E589 D590A571-T586 WeakPolarHBondContact O-CA 3.29Å; T586-E588 VanDerWaalsContact C-N 3.27Å; T586-E588 PolarHBondContact O-N 2.88Å; T586-E589 PolarHBondContact N-OE2 3.18Å; T586-E589 PolarHBondContact O-N 2.93Å; T586-E589 VanDerWaalsContact OG1-CG 3.22Å; T586-E589 WeakPolarHBondContact OG1-CG 3.43Å; T586-E589 PolarHBondContact OG1-N 3.42Å; T586-E589 PolarHBondContact OG1-OE2 3.46Å; T586-D590 PolarHBondContact O-N 3.23Å; T586-D590 VanDerWaalsContact O-N 3.12Å
587D82.1Confident76.7Confident22 Ų2261.1 Ų61.112%0.11836%0.362CS..Hα-helixtrans-58.1-39.1179.1-59.9-19.2000112.6Y525 A571 D590 M591 Y595Y525-D587 HydrophobicContact CE1-CB 4.15Å; A571-D587 PolarHBondContact O-N 2.99Å; A571-D587 VanDerWaalsContact O-N 3.11Å; D587-D590 PolarHBondContact O-N 2.91Å; D587-M591 HydrophobicContact CB-CE 4.38Å; D587-M591 WeakPolarHBondContact O-CB 3.44Å; D587-M591 VanDerWaalsContact O-CG 3.29Å; D587-M591 WeakPolarHBondContact O-CG 3.43Å; D587-M591 PolarHBondContact O-N 3.26Å; D587-Y595 HydrophobicContact CB-CE2 4.42Å
588E85Confident77.8Confident73 Ų7360.4 Ų60.434%0.34136%0.357SS..Hα-helixtrans-68.2-36.1-179.2-64.3-166.1143.500112.3T586 M591 G592 M593 T594 Y595T586-E588 VanDerWaalsContact C-N 3.27Å; T586-E588 PolarHBondContact O-N 2.88Å; E588-M591 HydrophobicContact CG-CE 4.45Å; E588-G592 PolarHBondContact O-N 2.91Å; E588-M593 PolarHBondContact O-N 3.11Å; E588-M593 VanDerWaalsContact O-N 3.16Å; E588-T594 VanDerWaalsContact OE1-CA 3.3Å; E588-T594 WeakPolarHBondContact OE1-CA 3.28Å; E588-T594 WeakPolarHBondContact OE1-CB 3.22Å; E588-Y595 HydrophobicContact CG-CD2 3.71Å; E588-Y595 HydrophobicContact CG-CE2 4.01Å; E588-Y595 WeakPolarHBondContact OE1-CD2 3.41Å; E588-Y595 PolarHBondContact OE1-N 2.87Å
589E84.9Confident79.1Confident118 Ų11856.5 Ų56.555%0.55134%0.338SS*.Hα-helixtrans-67.4-41.1174.8-72.6163.4162.700111.3Q585 T586 G592Q585-E589 HydrophobicContact CG-CB 3.68Å; Q585-E589 VanDerWaalsContact NE2-C 3.34Å; Q585-E589 PolarHBondContact NE2-O 2.91Å; T586-E589 PolarHBondContact N-OE2 3.18Å; T586-E589 PolarHBondContact O-N 2.93Å; T586-E589 VanDerWaalsContact OG1-CG 3.22Å; T586-E589 WeakPolarHBondContact OG1-CG 3.43Å; T586-E589 PolarHBondContact OG1-N 3.42Å; T586-E589 PolarHBondContact OG1-OE2 3.46Å; E589-G592 PolarHBondContact O-N 3.45Å
590D82.3Confident81Confident78 Ų7856 Ų5642%0.41733%0.329SS..Hα-helixtrans-70.8-36.9178-166.830.9000112.1Y525 Q585 T586 D587 G592Y525-D590 HydrophobicContact CE2-CB 4.22Å; Y525-D590 VanDerWaalsContact CE2-OD2 3.26Å; Y525-D590 WeakPolarHBondContact CE2-OD2 3.4Å; Y525-D590 PolarHBondContact OH-OD2 3.43Å; Q585-D590 HydrophobicContact CG-CB 4.39Å; Q585-D590 VanDerWaalsContact NE2-CA 3.3Å; T586-D590 PolarHBondContact O-N 3.23Å; T586-D590 VanDerWaalsContact O-N 3.12Å; D587-D590 PolarHBondContact O-N 2.91Å; D590-G592 PolarHBondContact O-N 3.41Å
591M87.4Confident83Confident4 Ų447.8 Ų47.82%0.0229%0.285CS..Hα-helixtrans-66.8-26171.1-71.5-169.5-69.800112.8L523 Y525 D587 E588 M593 Y595 L598 W638L523-M591 HydrophobicContact CD2-CB 3.84Å; L523-M591 HydrophobicContact CD2-CG 3.71Å; L523-M591 HydrophobicContact CD2-SD 3.7Å; Y525-M591 HydrophobicContact CD1-CG 3.78Å; Y525-M591 HydrophobicContact CD1-SD 3.81Å; Y525-M591 HydrophobicContact CD2-CG 3.66Å; Y525-M591 HydrophobicContact CE1-CG 4.11Å; Y525-M591 HydrophobicContact CE1-SD 4.47Å; Y525-M591 HydrophobicContact CE2-CG 4.01Å; Y525-M591 HydrophobicContact CG-CG 3.54Å; Y525-M591 HydrophobicContact CG-SD 3.87Å; D587-M591 HydrophobicContact CB-CE 4.38Å; D587-M591 WeakPolarHBondContact O-CB 3.44Å; D587-M591 VanDerWaalsContact O-CG 3.29Å; D587-M591 WeakPolarHBondContact O-CG 3.43Å; D587-M591 PolarHBondContact O-N 3.26Å; E588-M591 HydrophobicContact CG-CE 4.45Å; M591-M593 VanDerWaalsContact C-N 3.28Å; M591-M593 HydrophobicContact CB-CG 4.27Å; M591-Y595 HydrophobicContact CE-CD1 4.29Å; M591-Y595 HydrophobicContact CE-CD2 4.23Å; M591-Y595 HydrophobicContact CE-CE1 3.86Å; M591-Y595 HydrophobicContact CE-CE2 3.77Å; M591-Y595 HydrophobicContact CE-CG 4.47Å; M591-L598 HydrophobicContact SD-CD2 4.1Å; M591-W638 PolarHBondContact O-NE1 3.37Å
592G89.9Confident85Confident44 Ų4444.8 Ų44.845%0.45425%0.254SS..THydrogen-bonded Turntrans70.622.9-173.400000113.4E588 E589 D590E588-G592 PolarHBondContact O-N 2.91Å; E589-G592 PolarHBondContact O-N 3.45Å; D590-G592 PolarHBondContact O-N 3.41Å
593M92.9Very high87Confident7 Ų742.2 Ų42.23%0.03424%0.241CC..SBendtrans-161.8151.9176.964.6-165.878.300110.4L523 E588 M591 L598 Y601 W638 F639L523-M593 HydrophobicContact CD1-CE 3.91Å; L523-M593 HydrophobicContact CD1-SD 4.15Å; L523-M593 HydrophobicContact CD2-CE 4.15Å; L523-M593 HydrophobicContact CD2-SD 4.18Å; E588-M593 PolarHBondContact O-N 3.11Å; E588-M593 VanDerWaalsContact O-N 3.16Å; M591-M593 VanDerWaalsContact C-N 3.28Å; M591-M593 HydrophobicContact CB-CG 4.27Å; M593-L598 HydrophobicContact SD-CB 4.4Å; M593-L598 HydrophobicContact SD-CD1 3.91Å; M593-Y601 HydrophobicContact CB-CE2 4.42Å; M593-Y601 HydrophobicContact SD-CD2 3.93Å; M593-Y601 HydrophobicContact SD-CE2 3.75Å; M593-W638 VanDerWaalsContact CE-CD1 3.41Å; M593-W638 HydrophobicContact CE-CG 4.5Å; M593-F639 HydrophobicContact CE-CB 4.44Å; M593-F639 HydrophobicContact SD-CD2 4.32Å
594T93.7Very high88.9Confident51 Ų5139.8 Ų39.831%0.31323%0.225SC..  trans-78.615817669.60000111.3E588 A596 E597 L598E588-T594 VanDerWaalsContact OE1-CA 3.3Å; E588-T594 WeakPolarHBondContact OE1-CA 3.28Å; E588-T594 WeakPolarHBondContact OE1-CB 3.22Å; T594-A596 PolarHBondContact O-N 3.35Å; T594-E597 PolarHBondContact O-N 2.86Å; T594-E597 WeakPolarHBondContact OG1-CG 3.38Å; T594-E597 PolarHBondContact OG1-N 3.41Å; T594-E597 VanDerWaalsContact OG1-N 3.16Å; T594-L598 WeakPolarHBondContact O-CB 3.37Å; T594-L598 PolarHBondContact O-N 3.43Å
595Y91.9Very high90.9Very high12 Ų1237.8 Ų37.85%0.04721%0.21CC..Hα-helixtrans-60.4-33172.5-76.9-77.7000111.9D519 K544 D587 E588 M591 L598 S599D519-Y595 HydrophobicContact CB-CD1 3.93Å; D519-Y595 HydrophobicContact CB-CE1 4.36Å; K544-Y595 HydrophobicContact CB-CD1 3.41Å; K544-Y595 VanDerWaalsContact CB-CD1 3.41Å; K544-Y595 HydrophobicContact CB-CD2 4.47Å; K544-Y595 HydrophobicContact CB-CE1 3.91Å; K544-Y595 HydrophobicContact CB-CG 3.73Å; K544-Y595 HydrophobicContact CD-CD1 4.3Å; K544-Y595 HydrophobicContact CD-CE1 3.99Å; K544-Y595 HydrophobicContact CD-CE2 4.39Å; K544-Y595 HydrophobicContact CG-CD1 3.58Å; K544-Y595 HydrophobicContact CG-CD2 3.84Å; K544-Y595 HydrophobicContact CG-CE1 3.78Å; K544-Y595 HydrophobicContact CG-CE2 4.05Å; K544-Y595 HydrophobicContact CG-CG 3.6Å; D587-Y595 HydrophobicContact CB-CE2 4.42Å; E588-Y595 HydrophobicContact CG-CD2 3.71Å; E588-Y595 HydrophobicContact CG-CE2 4.01Å; E588-Y595 WeakPolarHBondContact OE1-CD2 3.41Å; E588-Y595 PolarHBondContact OE1-N 2.87Å; M591-Y595 HydrophobicContact CE-CD1 4.29Å; M591-Y595 HydrophobicContact CE-CD2 4.23Å; M591-Y595 HydrophobicContact CE-CE1 3.86Å; M591-Y595 HydrophobicContact CE-CE2 3.77Å; M591-Y595 HydrophobicContact CE-CG 4.47Å; Y595-L598 PolarHBondContact O-N 2.9Å; Y595-S599 PolarHBondContact O-N 3.42Å
596A91.9Very high92.2Very high58 Ų5835.3 Ų35.348%0.47920%0.198SC..Hα-helixtrans-63.6-44.3175.400000111.9T594 V600T594-A596 PolarHBondContact O-N 3.35Å; A596-V600 WeakPolarHBondContact O-CG2 3.43Å; A596-V600 PolarHBondContact O-N 3.05Å
597E94.9Very high93Very high36 Ų3636.9 Ų36.917%0.16821%0.207CC..Hα-helixtrans-64.2-42173.3-70.6-179.7152.400111.4T594 S599 V600 Y601 W623 K635T594-E597 PolarHBondContact O-N 2.86Å; T594-E597 WeakPolarHBondContact OG1-CG 3.38Å; T594-E597 PolarHBondContact OG1-N 3.41Å; T594-E597 VanDerWaalsContact OG1-N 3.16Å; E597-S599 PolarHBondContact O-N 2.78Å; E597-V600 WeakPolarHBondContact O-CA 3.48Å; E597-V600 WeakPolarHBondContact O-CB 3.31Å; E597-V600 PolarHBondContact O-N 2.98Å; E597-V600 VanDerWaalsContact O-N 3.07Å; E597-Y601 HydrophobicContact CB-CE2 3.86Å; E597-Y601 VanDerWaalsContact O-CD2 3.27Å; E597-Y601 WeakPolarHBondContact O-CD2 3.43Å; E597-Y601 VanDerWaalsContact O-CG 3.31Å; E597-Y601 PolarHBondContact O-N 3.45Å; E597-W623 HydrophobicContact CB-CH2 4.45Å; E597-W623 HydrophobicContact CG-CH2 4.16Å; E597-W623 HydrophobicContact CG-CZ2 4.37Å; E597-K635 VanDerWaalsContact CD-NZ 3.34Å; E597-K635 WeakPolarHBondContact OE1-CE 3.44Å; E597-K635 IonicContact OE1-NZ 3.71Å; E597-K635 PolarHBondContact OE1-NZ 3.39Å; E597-K635 IonicContact OE2-NZ 3.76Å; E597-K635 PolarHBondContact OE2-NZ 2.96Å; E597-K635 VanDerWaalsContact OE2-NZ 3.17Å
598L95.5Very high93.7Very high0 Ų038.2 Ų38.20%022%0.221CC..Hα-helixtrans-63-42.2-178.4-17349.3000112.7D519 L522 L523 M591 M593 T594 Y595 V600 Y601 G602 F639D519-L598 HydrophobicContact CB-CD2 3.82Å; D519-L598 HydrophobicContact CB-CG 3.95Å; D519-L598 WeakPolarHBondContact O-CD2 3.45Å; L522-L598 HydrophobicContact CD2-CD1 4.14Å; L523-L598 HydrophobicContact CB-CD1 4.24Å; L523-L598 HydrophobicContact CB-CD2 4.15Å; L523-L598 HydrophobicContact CD1-CD1 4.44Å; L523-L598 HydrophobicContact CD2-CD2 4.3Å; M591-L598 HydrophobicContact SD-CD2 4.1Å; M593-L598 HydrophobicContact SD-CB 4.4Å; M593-L598 HydrophobicContact SD-CD1 3.91Å; T594-L598 WeakPolarHBondContact O-CB 3.37Å; T594-L598 PolarHBondContact O-N 3.43Å; Y595-L598 PolarHBondContact O-N 2.9Å; L598-V600 VanDerWaalsContact C-N 3.31Å; L598-V600 PolarHBondContact O-N 3.31Å; L598-Y601 HydrophobicContact CD1-CD2 4.4Å; L598-Y601 PolarHBondContact O-N 3.22Å; L598-G602 PolarHBondContact O-N 3.03Å; L598-F639 HydrophobicContact CD1-CD2 4.05Å; L598-F639 HydrophobicContact CD1-CE2 3.8Å
599S95.2Very high94.4Very high7 Ų741.5 Ų41.55%0.04923%0.234CC..Hα-helixtrans-61-37.2171.6-83.40000112.4D519 Y595 E597 G602 K603D519-S599 WeakPolarHBondContact OD1-CA 3.38Å; D519-S599 PolarHBondContact OD1-N 3.4Å; D519-S599 PolarHBondContact OD1-OG 3.39Å; D519-S599 PolarHBondContact OD2-OG 3.17Å; Y595-S599 PolarHBondContact O-N 3.42Å; E597-S599 PolarHBondContact O-N 2.78Å; S599-G602 PolarHBondContact O-N 3.05Å; S599-K603 WeakPolarHBondContact O-CB 3.34Å; S599-K603 VanDerWaalsContact O-CG 3.32Å; S599-K603 WeakPolarHBondContact O-CG 3.46Å; S599-K603 PolarHBondContact O-N 3.38Å
600V97.6Very high95Very high40 Ų4037.7 Ų37.724%0.24222%0.217CC..Hα-helixtrans-64.7-46.9173.5172.80000110.7A596 E597 L598 G602 K603 L604 L619 W623A596-V600 WeakPolarHBondContact O-CG2 3.43Å; A596-V600 PolarHBondContact O-N 3.05Å; E597-V600 WeakPolarHBondContact O-CA 3.48Å; E597-V600 WeakPolarHBondContact O-CB 3.31Å; E597-V600 PolarHBondContact O-N 2.98Å; E597-V600 VanDerWaalsContact O-N 3.07Å; L598-V600 VanDerWaalsContact C-N 3.31Å; L598-V600 PolarHBondContact O-N 3.31Å; V600-G602 VanDerWaalsContact C-N 3.32Å; V600-G602 PolarHBondContact O-N 3.44Å; V600-K603 PolarHBondContact O-N 2.91Å; V600-L604 HydrophobicContact CG1-CD1 3.91Å; V600-L604 HydrophobicContact CG1-CG 4.23Å; V600-L604 WeakPolarHBondContact O-CB 3.39Å; V600-L604 WeakPolarHBondContact O-CG 3.48Å; V600-L604 PolarHBondContact O-N 3.34Å; V600-L619 HydrophobicContact CG1-CD2 3.91Å; V600-W623 HydrophobicContact CG1-CZ2 4.19Å
601Y98.4Very high95.8Very high1 Ų135.4 Ų35.40%0.00421%0.212CC..Hα-helixtrans-59.7-43.3176.8-55.5-39.7000111.7M593 E597 L598 L604 R605 M615 L619 W623 F639M593-Y601 HydrophobicContact CB-CE2 4.42Å; M593-Y601 HydrophobicContact SD-CD2 3.93Å; M593-Y601 HydrophobicContact SD-CE2 3.75Å; E597-Y601 HydrophobicContact CB-CE2 3.86Å; E597-Y601 VanDerWaalsContact O-CD2 3.27Å; E597-Y601 WeakPolarHBondContact O-CD2 3.43Å; E597-Y601 VanDerWaalsContact O-CG 3.31Å; E597-Y601 PolarHBondContact O-N 3.45Å; L598-Y601 HydrophobicContact CD1-CD2 4.4Å; L598-Y601 PolarHBondContact O-N 3.22Å; Y601-L604 PolarHBondContact O-N 2.92Å; Y601-R605 WeakPolarHBondContact O-CB 3.46Å; Y601-R605 PolarHBondContact O-N 2.99Å; Y601-M615 HydrophobicContact CD1-SD 3.81Å; Y601-M615 HydrophobicContact CG-SD 4.39Å; Y601-M615 WeakPolarHBondContact O-CE 3.38Å; Y601-L619 HydrophobicContact CD1-CD1 4Å; Y601-L619 HydrophobicContact CE1-CD1 3.66Å; Y601-W623 HydrophobicContact CD1-CH2 4.49Å; Y601-W623 AromaticContact CE1-CH2 3.48Å; Y601-W623 HydrophobicContact CE1-CH2 3.48Å; Y601-W623 VanDerWaalsContact CE1-CH2 3.48Å; Y601-W623 AromaticContact CE1-CZ3 3.94Å; Y601-W623 HydrophobicContact CE1-CZ3 3.94Å; Y601-W623 AromaticContact CZ-CH2 3.75Å; Y601-W623 WeakPolarHBondContact OH-CH2 3.34Å; Y601-F639 HydrophobicContact CD2-CB 4.07Å; Y601-F639 AromaticContact CD2-CD2 3.61Å; Y601-F639 HydrophobicContact CD2-CD2 3.61Å; Y601-F639 HydrophobicContact CD2-CE2 4.24Å; Y601-F639 AromaticContact CD2-CG 3.84Å; Y601-F639 HydrophobicContact CD2-CG 3.84Å; Y601-F639 HydrophobicContact CE2-CB 4.32Å; Y601-F639 HydrophobicContact CG-CB 4.43Å; Y601-F639 HydrophobicContact CG-CD1 4.31Å; Y601-F639 AromaticContact CG-CD2 3.96Å; Y601-F639 HydrophobicContact CG-CD2 3.96Å; Y601-F639 HydrophobicContact CG-CE2 4.32Å; Y601-F639 AromaticContact CG-CG 3.96Å; Y601-F639 HydrophobicContact CG-CG 3.96Å
602G97.7Very high96.3Very high0 Ų035.7 Ų35.70%021%0.214CC..Hα-helixtrans-58.3-50.5176.300000112.7L598 S599 V600 R605 K606L598-G602 PolarHBondContact O-N 3.03Å; S599-G602 PolarHBondContact O-N 3.05Å; V600-G602 VanDerWaalsContact C-N 3.32Å; V600-G602 PolarHBondContact O-N 3.44Å; G602-R605 PolarHBondContact O-N 3.16Å; G602-K606 PolarHBondContact O-N 2.83Å
603K98.3Very high96.8Very high97 Ų9737.7 Ų37.742%0.42221%0.209SC..Hα-helixtrans-63.8-45.2178-70.4171.8-176.2176.40111.9S599 V600 R605 V607 A608 Y662S599-K603 WeakPolarHBondContact O-CB 3.34Å; S599-K603 VanDerWaalsContact O-CG 3.32Å; S599-K603 WeakPolarHBondContact O-CG 3.46Å; S599-K603 PolarHBondContact O-N 3.38Å; V600-K603 PolarHBondContact O-N 2.91Å; K603-R605 VanDerWaalsContact C-N 3.34Å; K603-R605 PolarHBondContact O-N 3.31Å; K603-V607 WeakPolarHBondContact O-CA 3.3Å; K603-V607 VanDerWaalsContact O-CB 3.25Å; K603-V607 WeakPolarHBondContact O-CB 3.32Å; K603-V607 PolarHBondContact O-N 3.42Å; K603-A608 PolarHBondContact O-N 2.85Å; K603-Y662 HydrophobicContact CG-CD1 3.77Å; K603-Y662 HydrophobicContact CG-CE1 4.19Å; K603-Y662 HydrophobicContact CG-CG 4.06Å
604L98.6Very high97.1Very high15 Ų1540.3 Ų40.38%0.07923%0.228CC..Hα-helixtrans-62.5-41.7176.8-70.7-178.4000111.8V600 Y601 A608 K609 M610 M615 K618 L619V600-L604 HydrophobicContact CG1-CD1 3.91Å; V600-L604 HydrophobicContact CG1-CG 4.23Å; V600-L604 WeakPolarHBondContact O-CB 3.39Å; V600-L604 WeakPolarHBondContact O-CG 3.48Å; V600-L604 PolarHBondContact O-N 3.34Å; Y601-L604 PolarHBondContact O-N 2.92Å; L604-A608 HydrophobicContact CD2-CB 4.31Å; L604-A608 CarbonylContact O-C 3.58Å; L604-A608 WeakPolarHBondContact O-CB 3.26Å; L604-K609 PolarHBondContact O-N 3.43Å; L604-M610 HydrophobicContact CB-SD 4.25Å; L604-M610 HydrophobicContact CD2-CE 4.27Å; L604-M610 HydrophobicContact CD2-SD 3.91Å; L604-M610 HydrophobicContact CG-SD 4.49Å; L604-M610 WeakPolarHBondContact O-CB 3.47Å; L604-M610 WeakPolarHBondContact O-CG 3.48Å; L604-M610 PolarHBondContact O-N 3Å; L604-M615 HydrophobicContact CB-CE 4Å; L604-M615 HydrophobicContact CB-CG 4.32Å; L604-M615 HydrophobicContact CD1-CG 3.94Å; L604-K618 HydrophobicContact CD1-CG 4.34Å; L604-K618 HydrophobicContact CD2-CG 3.9Å; L604-L619 HydrophobicContact CD1-CD1 4.29Å; L604-L619 HydrophobicContact CD1-CD2 3.59Å; L604-L619 HydrophobicContact CD1-CG 3.76Å
605R98.6Very high97.3Very high10 Ų1037.9 Ų37.94%0.03821%0.213CC..Hα-helixtrans-65.3-53.5178.2177.7-173.6169.6-77.2-1.3112.1Y601 G602 K603 K609 M610 M615 H643 D670Y601-R605 WeakPolarHBondContact O-CB 3.46Å; Y601-R605 PolarHBondContact O-N 2.99Å; G602-R605 PolarHBondContact O-N 3.16Å; K603-R605 VanDerWaalsContact C-N 3.34Å; K603-R605 PolarHBondContact O-N 3.31Å; R605-K609 VanDerWaalsContact O-CA 3.3Å; R605-K609 WeakPolarHBondContact O-CA 2.92Å; R605-K609 PolarHBondContact O-N 3.42Å; R605-M610 PolarHBondContact O-N 3.43Å; R605-M615 HydrophobicContact CB-CE 3.97Å; R605-H643 PolarHBondContact NE-CE1 3.39Å; R605-H643 PolarHBondContact NE-NE2 3.1Å; R605-H643 VanDerWaalsContact NE-NE2 3.12Å; R605-H643 PolarHBondContact NH2-CE1 3.29Å; R605-H643 PolarHBondContact NH2-NE2 2.71Å; R605-D670 IonicContact CZ-OD2 3.72Å; R605-D670 IonicContact NH1-OD1 3.98Å; R605-D670 IonicContact NH1-OD2 3.89Å; R605-D670 PolarHBondContact NH1-OD2 3.19Å; R605-D670 IonicContact NH2-OD2 2.73Å; R605-D670 PolarHBondContact NH2-OD2 2.97Å
606K98.2Very high97.6Very high24 Ų2437.3 Ų37.310%0.10421%0.211CC..Hα-helixtrans-95.9-41.7-168.2-176.657.6171.9-177.50113.7G602 K609 F669 D670G602-K606 PolarHBondContact O-N 2.83Å; K606-K609 WeakPolarHBondContact O-CD 3.19Å; K606-K609 WeakPolarHBondContact O-CE 3.24Å; K606-K609 PolarHBondContact O-NZ 3.4Å; K606-F669 HydrophobicContact CD-CE1 4.38Å; K606-F669 HydrophobicContact CG-CE1 4.12Å; K606-F669 PolarHBondContact NZ-O 2.9Å; K606-D670 HydrophobicContact CD-CB 4.39Å; K606-D670 WeakPolarHBondContact CD-OD1 3.39Å; K606-D670 IonicContact NZ-OD1 3.87Å; K606-D670 PolarHBondContact NZ-OD1 3.4Å
607V97.4Very high97.9Very high78 Ų7837.1 Ų37.147%0.47321%0.205SC..THydrogen-bonded Turntrans-78.9-55.7178.9-179.40000109.5K603 K609K603-V607 WeakPolarHBondContact O-CA 3.3Å; K603-V607 VanDerWaalsContact O-CB 3.25Å; K603-V607 WeakPolarHBondContact O-CB 3.32Å; K603-V607 PolarHBondContact O-N 3.42Å; V607-K609 VanDerWaalsContact C-N 3.27Å; V607-K609 PolarHBondContact O-N 3.41Å; V607-K609 PolarHBondContact O-NZ 3.28Å
608A98.2Very high98.1Very high50 Ų5040.2 Ų40.241%0.41322%0.218SC..SBendtrans-83.11.7-177.900000114.6K603 L604 M610K603-A608 PolarHBondContact O-N 2.85Å; L604-A608 HydrophobicContact CD2-CB 4.31Å; L604-A608 CarbonylContact O-C 3.58Å; L604-A608 WeakPolarHBondContact O-CB 3.26Å; A608-M610 VanDerWaalsContact C-N 3.3Å; A608-M610 HydrophobicContact CB-CE 3.96Å; A608-M610 HydrophobicContact CB-CG 4.12Å; A608-M610 HydrophobicContact CB-SD 4.46Å; A608-M610 PolarHBondContact O-N 3.03Å
609K98.4Very high98.2Very high141 Ų14140.2 Ų40.261%0.61322%0.218SC*.  trans58.733.9173.1-50.6-64.7-177.7-71.80114.2L604 R605 K606 V607L604-K609 PolarHBondContact O-N 3.43Å; R605-K609 VanDerWaalsContact O-CA 3.3Å; R605-K609 WeakPolarHBondContact O-CA 2.92Å; R605-K609 PolarHBondContact O-N 3.42Å; K606-K609 WeakPolarHBondContact O-CD 3.19Å; K606-K609 WeakPolarHBondContact O-CE 3.24Å; K606-K609 PolarHBondContact O-NZ 3.4Å; V607-K609 VanDerWaalsContact C-N 3.27Å; V607-K609 PolarHBondContact O-N 3.41Å; V607-K609 PolarHBondContact O-NZ 3.28Å
610M98.7Very high98.3Very high38 Ų3841.7 Ų41.719%0.18723%0.225CC..  trans-89.7127.5-175-60.6-170.5176.300113.1L604 R605 A608 M615 K618L604-M610 HydrophobicContact CB-SD 4.25Å; L604-M610 HydrophobicContact CD2-CE 4.27Å; L604-M610 HydrophobicContact CD2-SD 3.91Å; L604-M610 HydrophobicContact CG-SD 4.49Å; L604-M610 WeakPolarHBondContact O-CB 3.47Å; L604-M610 WeakPolarHBondContact O-CG 3.48Å; L604-M610 PolarHBondContact O-N 3Å; R605-M610 PolarHBondContact O-N 3.43Å; A608-M610 VanDerWaalsContact C-N 3.3Å; A608-M610 HydrophobicContact CB-CE 3.96Å; A608-M610 HydrophobicContact CB-CG 4.12Å; A608-M610 HydrophobicContact CB-SD 4.46Å; A608-M610 PolarHBondContact O-N 3.03Å; M610-M615 HydrophobicContact CB-CB 4.19Å; M610-K618 HydrophobicContact CE-CB 3.88Å; M610-K618 HydrophobicContact CE-CD 4.11Å; M610-K618 HydrophobicContact CE-CG 3.81Å; M610-K618 HydrophobicContact SD-CB 3.65Å; M610-K618 HydrophobicContact SD-CG 3.98Å
611G98.6Very high98.2Very high31 Ų3141.9 Ų41.932%0.3224%0.235SC..  trans-78.9-175.6161.500000112.4Y613 S614 M615G611-Y613 PolarHBondContact O-N 3.01Å; G611-S614 PolarHBondContact O-N 3.04Å; G611-M615 WeakPolarHBondContact O-CB 3.44Å; G611-M615 PolarHBondContact O-N 3.11Å
612P98.8Very high98.2Very high9 Ų946.3 Ų46.36%0.05826%0.257CS..Hα-helixtrans-55.9-49.6-173.3-22.328.7000114M615 F616 V636 F640 W680 Q683 F684 I687P612-M615 PolarHBondContact O-N 2.93Å; P612-F616 WeakPolarHBondContact O-CB 3.46Å; P612-F616 PolarHBondContact O-N 3.49Å; P612-V636 HydrophobicContact CB-CG1 4.47Å; P612-V636 WeakPolarHBondContact O-CG1 3.48Å; P612-F640 VanDerWaalsContact CA-CE2 3.45Å; P612-F640 HydrophobicContact CB-CD2 3.89Å; P612-F640 HydrophobicContact CB-CE2 4.03Å; P612-F640 HydrophobicContact CB-CG 4.18Å; P612-F640 HydrophobicContact CB-CZ 4.42Å; P612-F640 HydrophobicContact CG-CB 4.45Å; P612-F640 HydrophobicContact CG-CD1 3.73Å; P612-F640 HydrophobicContact CG-CD2 3.93Å; P612-F640 HydrophobicContact CG-CE1 3.86Å; P612-F640 HydrophobicContact CG-CE2 4.08Å; P612-F640 HydrophobicContact CG-CG 3.77Å; P612-F640 HydrophobicContact CG-CZ 4.03Å; P612-W680 HydrophobicContact CG-CD2 4.4Å; P612-W680 HydrophobicContact CG-CE3 4.04Å; P612-W680 HydrophobicContact CG-CZ3 4.41Å; P612-Q683 HydrophobicContact CB-CB 4.14Å; P612-Q683 HydrophobicContact CG-CB 4.06Å; P612-Q683 HydrophobicContact CG-CG 4.26Å; P612-F684 HydrophobicContact CB-CD1 4.46Å; P612-F684 HydrophobicContact CB-CE1 4.15Å; P612-I687 HydrophobicContact CB-CD1 4.17Å
613Y98.8Very high98.2Very high86 Ų8647.8 Ų47.834%0.33726%0.263SS..Hα-helixtrans-65.7-46.5-177.7-177-102.9000112.4G611 M615 F616 C617 C686 I687 Q690G611-Y613 PolarHBondContact O-N 3.01Å; Y613-M615 VanDerWaalsContact C-N 3.32Å; Y613-M615 PolarHBondContact O-N 3.14Å; Y613-F616 WeakPolarHBondContact O-CB 3.3Å; Y613-F616 PolarHBondContact O-N 3.25Å; Y613-C617 PolarHBondContact O-N 2.9Å; Y613-C617 PolarHBondContact O-SG 2.87Å; Y613-C617 VanDerWaalsContact O-SG 3.37Å; Y613-C686 HydrophobicContact CD2-CB 3.75Å; Y613-C686 HydrophobicContact CE2-CB 4.08Å; Y613-C686 HydrophobicContact CG-CB 4.41Å; Y613-I687 HydrophobicContact CD2-CG1 4Å; Y613-Q690 HydrophobicContact CE2-CB 4.22Å; Y613-Q690 PolarHBondContact OH-OE1 3.24Å
614S98.8Very high98Very high63 Ų6351.5 Ų51.544%0.44127%0.274SS..Hα-helixtrans-62-40.2177.9-55.40000112.1G611 C617 K618G611-S614 PolarHBondContact O-N 3.04Å; S614-C617 PolarHBondContact O-N 2.88Å; S614-K618 WeakPolarHBondContact O-CB 3.3Å; S614-K618 PolarHBondContact O-N 2.8Å
615M98.8Very high97.8Very high0 Ų058.2 Ų58.20%031%0.305CS..Hα-helixtrans-63.9-45.1176-173.6-177.9-67.400110.9Y601 L604 R605 M610 G611 P612 Y613 C617 K618 L619 V636 F639 F640Y601-M615 HydrophobicContact CD1-SD 3.81Å; Y601-M615 HydrophobicContact CG-SD 4.39Å; Y601-M615 WeakPolarHBondContact O-CE 3.38Å; L604-M615 HydrophobicContact CB-CE 4Å; L604-M615 HydrophobicContact CB-CG 4.32Å; L604-M615 HydrophobicContact CD1-CG 3.94Å; R605-M615 HydrophobicContact CB-CE 3.97Å; M610-M615 HydrophobicContact CB-CB 4.19Å; G611-M615 WeakPolarHBondContact O-CB 3.44Å; G611-M615 PolarHBondContact O-N 3.11Å; P612-M615 PolarHBondContact O-N 2.93Å; Y613-M615 VanDerWaalsContact C-N 3.32Å; Y613-M615 PolarHBondContact O-N 3.14Å; M615-C617 PolarHBondContact O-N 2.87Å; M615-K618 PolarHBondContact O-N 3.25Å; M615-L619 HydrophobicContact CG-CD1 3.76Å; M615-L619 HydrophobicContact CG-CG 4.27Å; M615-L619 WeakPolarHBondContact O-CB 3.45Å; M615-L619 WeakPolarHBondContact O-CG 3.37Å; M615-L619 PolarHBondContact O-N 3.17Å; M615-L619 HydrophobicContact SD-CD1 4.38Å; M615-V636 HydrophobicContact CB-CG1 4.44Å; M615-V636 HydrophobicContact CG-CG2 4.2Å; M615-V636 HydrophobicContact SD-CG1 4.45Å; M615-V636 HydrophobicContact SD-CG2 4.36Å; M615-F639 HydrophobicContact CE-CD1 4.33Å; M615-F639 HydrophobicContact CE-CE1 3.94Å; M615-F639 HydrophobicContact SD-CD1 4.14Å; M615-F639 HydrophobicContact SD-CE1 4.35Å; M615-F640 HydrophobicContact CB-CE2 4.31Å; M615-F640 HydrophobicContact CE-CE2 3.69Å; M615-F640 HydrophobicContact CE-CZ 3.84Å; M615-F640 HydrophobicContact SD-CE2 3.69Å; M615-F640 HydrophobicContact SD-CZ 4.45Å
616F98.8Very high97.6Very high0 Ų064 Ų640%034%0.335CS..Hα-helixtrans-54.9-51.5173.2163.2-102.7000111.9P612 Y613 K618 L619 L620 P629 V632 A633 V636 I687 Q690 V691P612-F616 WeakPolarHBondContact O-CB 3.46Å; P612-F616 PolarHBondContact O-N 3.49Å; Y613-F616 WeakPolarHBondContact O-CB 3.3Å; Y613-F616 PolarHBondContact O-N 3.25Å; F616-K618 VanDerWaalsContact C-N 3.32Å; F616-K618 PolarHBondContact O-N 2.87Å; F616-L619 PolarHBondContact O-N 3.3Å; F616-L620 HydrophobicContact CZ-CD2 4.47Å; F616-L620 VanDerWaalsContact O-CB 3.3Å; F616-L620 WeakPolarHBondContact O-CB 3.49Å; F616-L620 PolarHBondContact O-N 3.49Å; F616-P629 WeakPolarHBondContact CE2-O 3.44Å; F616-V632 HydrophobicContact CD2-CB 4.32Å; F616-V632 HydrophobicContact CD2-CG1 3.9Å; F616-V632 HydrophobicContact CE2-CB 4.4Å; F616-V632 HydrophobicContact CE2-CG1 4.4Å; F616-A633 HydrophobicContact CD2-CB 4.06Å; F616-A633 HydrophobicContact CE2-CB 3.92Å; F616-V636 HydrophobicContact CB-CG1 4.38Å; F616-V636 HydrophobicContact CB-CG2 4.39Å; F616-I687 HydrophobicContact CB-CD1 4.06Å; F616-I687 HydrophobicContact CB-CG1 4.04Å; F616-I687 HydrophobicContact CD1-CG1 4.18Å; F616-I687 HydrophobicContact CD1-CG2 4.13Å; F616-I687 HydrophobicContact CD2-CG2 3.89Å; F616-I687 HydrophobicContact CE1-CG2 4.35Å; F616-I687 HydrophobicContact CE2-CG2 4.13Å; F616-I687 HydrophobicContact CG-CG1 4.11Å; F616-I687 HydrophobicContact CG-CG2 3.9Å; F616-I687 HydrophobicContact CZ-CG2 4.35Å; F616-Q690 HydrophobicContact CE1-CB 3.85Å; F616-Q690 HydrophobicContact CE1-CG 3.8Å; F616-Q690 HydrophobicContact CZ-CB 4.5Å; F616-Q690 HydrophobicContact CZ-CG 4.49Å; F616-V691 HydrophobicContact CE2-CG2 3.82Å; F616-V691 HydrophobicContact CZ-CG2 3.62Å
617C98.5Very high97.5Very high53 Ų5363.7 Ų63.736%0.35834%0.336SS..Hα-helixtrans-60.8-39.8179-65.30000112.6Y613 S614 M615Y613-C617 PolarHBondContact O-N 2.9Å; Y613-C617 PolarHBondContact O-SG 2.87Å; Y613-C617 VanDerWaalsContact O-SG 3.37Å; S614-C617 PolarHBondContact O-N 2.88Å; M615-C617 PolarHBondContact O-N 2.87Å
618K98.4Very high97.5Very high101 Ų10163.3 Ų63.344%0.43933%0.334SS..Hα-helixtrans-67-46.8178.9-177.163175.4-175.50111.6L604 M610 S614 M615 F616 L620 G621 M622L604-K618 HydrophobicContact CD1-CG 4.34Å; L604-K618 HydrophobicContact CD2-CG 3.9Å; M610-K618 HydrophobicContact CE-CB 3.88Å; M610-K618 HydrophobicContact CE-CD 4.11Å; M610-K618 HydrophobicContact CE-CG 3.81Å; M610-K618 HydrophobicContact SD-CB 3.65Å; M610-K618 HydrophobicContact SD-CG 3.98Å; S614-K618 WeakPolarHBondContact O-CB 3.3Å; S614-K618 PolarHBondContact O-N 2.8Å; M615-K618 PolarHBondContact O-N 3.25Å; F616-K618 VanDerWaalsContact C-N 3.32Å; F616-K618 PolarHBondContact O-N 2.87Å; K618-L620 VanDerWaalsContact C-N 3.33Å; K618-G621 PolarHBondContact O-N 2.85Å; K618-M622 HydrophobicContact CD-SD 4.19Å; K618-M622 HydrophobicContact CG-SD 3.79Å; K618-M622 WeakPolarHBondContact O-CG 3.42Å; K618-M622 PolarHBondContact O-N 3.38Å
619L98.3Very high97.5Very high0 Ų062.6 Ų62.60%033%0.325CS..Hα-helixtrans-70-31.1-179.4-70.1176.3000112.5V600 Y601 L604 M615 F616 G621 M622 W623 V632 V636V600-L619 HydrophobicContact CG1-CD2 3.91Å; Y601-L619 HydrophobicContact CD1-CD1 4Å; Y601-L619 HydrophobicContact CE1-CD1 3.66Å; L604-L619 HydrophobicContact CD1-CD1 4.29Å; L604-L619 HydrophobicContact CD1-CD2 3.59Å; L604-L619 HydrophobicContact CD1-CG 3.76Å; M615-L619 HydrophobicContact CG-CD1 3.76Å; M615-L619 HydrophobicContact CG-CG 4.27Å; M615-L619 WeakPolarHBondContact O-CB 3.45Å; M615-L619 WeakPolarHBondContact O-CG 3.37Å; M615-L619 PolarHBondContact O-N 3.17Å; M615-L619 HydrophobicContact SD-CD1 4.38Å; F616-L619 PolarHBondContact O-N 3.3Å; L619-G621 PolarHBondContact O-N 2.97Å; L619-M622 HydrophobicContact CD2-SD 4.33Å; L619-M622 PolarHBondContact O-N 2.98Å; L619-W623 HydrophobicContact CB-CD2 4.43Å; L619-W623 HydrophobicContact CB-CE3 4.11Å; L619-W623 HydrophobicContact CB-CZ3 4.46Å; L619-W623 HydrophobicContact CD1-CE3 4.27Å; L619-W623 HydrophobicContact CD1-CH2 4.04Å; L619-W623 HydrophobicContact CD1-CZ3 3.8Å; L619-W623 HydrophobicContact CD2-CD2 3.91Å; L619-W623 HydrophobicContact CD2-CE3 4.06Å; L619-W623 HydrophobicContact CD2-CH2 3.9Å; L619-W623 HydrophobicContact CD2-CZ2 3.72Å; L619-W623 HydrophobicContact CD2-CZ3 4.06Å; L619-W623 HydrophobicContact CG-CE3 4.38Å; L619-W623 HydrophobicContact CG-CZ3 4.34Å; L619-W623 WeakPolarHBondContact O-CB 3.34Å; L619-W623 PolarHBondContact O-N 2.9Å; L619-V632 HydrophobicContact CB-CG1 3.55Å; L619-V636 HydrophobicContact CD1-CG2 3.7Å
620L97.2Very high97.5Very high38 Ų3858.9 Ų58.920%0.19931%0.307CS..Hα-helixtrans-55.1-40.8172.5-176.769.7000111.5F616 K618 R624 P629 L694F616-L620 HydrophobicContact CZ-CD2 4.47Å; F616-L620 VanDerWaalsContact O-CB 3.3Å; F616-L620 WeakPolarHBondContact O-CB 3.49Å; F616-L620 PolarHBondContact O-N 3.49Å; K618-L620 VanDerWaalsContact C-N 3.33Å; L620-R624 WeakPolarHBondContact O-CA 3.36Å; L620-R624 WeakPolarHBondContact O-CB 3.35Å; L620-R624 PolarHBondContact O-N 3.23Å; L620-P629 HydrophobicContact CD1-CB 3.74Å; L620-P629 HydrophobicContact CD1-CG 3.86Å; L620-L694 HydrophobicContact CD1-CD1 4.34Å; L620-L694 HydrophobicContact CD2-CD1 3.41Å; L620-L694 VanDerWaalsContact CD2-CD1 3.41Å
621G95.8Very high97.4Very high44 Ų4461.5 Ų61.545%0.45432%0.319SS..Hα-helixtrans-75-45.9174.200000113.3K618 L619 W623 R624K618-G621 PolarHBondContact O-N 2.85Å; L619-G621 PolarHBondContact O-N 2.97Å; G621-W623 PolarHBondContact O-N 3.34Å; G621-R624 WeakPolarHBondContact O-CG 3.19Å
622M97.1Very high97.4Very high95 Ų9560.1 Ų60.147%0.46830%0.304SS..Hα-helixtrans-66-36.3-176.7-70.8175.666.700113.2K618 L619K618-M622 HydrophobicContact CD-SD 4.19Å; K618-M622 HydrophobicContact CG-SD 3.79Å; K618-M622 WeakPolarHBondContact O-CG 3.42Å; K618-M622 PolarHBondContact O-N 3.38Å; L619-M622 HydrophobicContact CD2-SD 4.33Å; L619-M622 PolarHBondContact O-N 2.98Å
623W97.4Very high97.4Very high31 Ų3159.7 Ų59.712%0.11730%0.301CS..THydrogen-bonded Turntrans-109.416.9-175.2-61.6-19.8000113E597 V600 Y601 L619 G621 H625 I626 C627 V632 K635E597-W623 HydrophobicContact CB-CH2 4.45Å; E597-W623 HydrophobicContact CG-CH2 4.16Å; E597-W623 HydrophobicContact CG-CZ2 4.37Å; V600-W623 HydrophobicContact CG1-CZ2 4.19Å; Y601-W623 HydrophobicContact CD1-CH2 4.49Å; Y601-W623 AromaticContact CE1-CH2 3.48Å; Y601-W623 HydrophobicContact CE1-CH2 3.48Å; Y601-W623 VanDerWaalsContact CE1-CH2 3.48Å; Y601-W623 AromaticContact CE1-CZ3 3.94Å; Y601-W623 HydrophobicContact CE1-CZ3 3.94Å; Y601-W623 AromaticContact CZ-CH2 3.75Å; Y601-W623 WeakPolarHBondContact OH-CH2 3.34Å; L619-W623 HydrophobicContact CB-CD2 4.43Å; L619-W623 HydrophobicContact CB-CE3 4.11Å; L619-W623 HydrophobicContact CB-CZ3 4.46Å; L619-W623 HydrophobicContact CD1-CE3 4.27Å; L619-W623 HydrophobicContact CD1-CH2 4.04Å; L619-W623 HydrophobicContact CD1-CZ3 3.8Å; L619-W623 HydrophobicContact CD2-CD2 3.91Å; L619-W623 HydrophobicContact CD2-CE3 4.06Å; L619-W623 HydrophobicContact CD2-CH2 3.9Å; L619-W623 HydrophobicContact CD2-CZ2 3.72Å; L619-W623 HydrophobicContact CD2-CZ3 4.06Å; L619-W623 HydrophobicContact CG-CE3 4.38Å; L619-W623 HydrophobicContact CG-CZ3 4.34Å; L619-W623 WeakPolarHBondContact O-CB 3.34Å; L619-W623 PolarHBondContact O-N 2.9Å; G621-W623 PolarHBondContact O-N 3.34Å; W623-H625 PolarHBondContact O-N 2.87Å; W623-I626 PolarHBondContact O-N 3.1Å; W623-C627 HydrophobicContact CB-CB 4.29Å; W623-C627 PolarHBondContact O-N 2.74Å; W623-V632 HydrophobicContact CE3-CG2 4.48Å; W623-K635 HydrophobicContact CZ3-CD 4Å
624R94.1Very high97.3Very high175 Ų17559.5 Ų59.566%0.6631%0.306SS*.THydrogen-bonded Turntrans-53.2-25.1-177.870-174.6-176.7-171.4-1115.2L620 G621L620-R624 WeakPolarHBondContact O-CA 3.36Å; L620-R624 WeakPolarHBondContact O-CB 3.35Å; L620-R624 PolarHBondContact O-N 3.23Å; G621-R624 WeakPolarHBondContact O-CG 3.19Å
625H95.1Very high97.3Very high155 Ų15559.3 Ų59.372%0.71830%0.297SS*.THydrogen-bonded Turntrans-93.5-11.6179.9-59.1-60000113.5W623W623-H625 PolarHBondContact O-N 2.87Å
626I95.1Very high97.3Very high132 Ų13259.3 Ų59.368%0.67730%0.297SS*.THydrogen-bonded Turntrans-117.1-28.1-171-45.4171.4000110.6W623W623-I626 PolarHBondContact O-N 3.1Å
627C95.4Very high97.3Very high18 Ų1861 Ų6112%0.12230%0.304CS..  trans-135.9141.5-176-64.10000111.6W623 Q631 V632W623-C627 HydrophobicContact CB-CB 4.29Å; W623-C627 PolarHBondContact O-N 2.74Å; C627-Q631 HydrophobicContact CB-CB 4.06Å; C627-V632 HydrophobicContact CB-CG2 3.54Å
628T97.1Very high97.3Very high70 Ų7063.5 Ų63.543%0.42931%0.307SS..  trans-72.5162.7166.8690000110.8R630 Q631 V632T628-R630 PolarHBondContact O-N 3.04Å; T628-Q631 PolarHBondContact O-N 3.35Å; T628-Q631 VanDerWaalsContact O-N 3.14Å; T628-Q631 WeakPolarHBondContact OG1-CG 3.25Å; T628-Q631 PolarHBondContact OG1-N 3.19Å; T628-Q631 PolarHBondContact OG1-OE1 3.26Å; T628-V632 PolarHBondContact O-N 3.05Å; T628-V632 VanDerWaalsContact O-N 3.08Å
629P97.8Very high97.3Very high35 Ų3558.7 Ų58.723%0.22729%0.286CS..Hα-helixtrans-53-40.6175-23.430.7000113F616 L620 V632 A633 V691 L694F616-P629 WeakPolarHBondContact CE2-O 3.44Å; L620-P629 HydrophobicContact CD1-CB 3.74Å; L620-P629 HydrophobicContact CD1-CG 3.86Å; P629-V632 PolarHBondContact O-N 3.04Å; P629-A633 PolarHBondContact O-N 3.3Å; P629-V691 HydrophobicContact CB-CG1 4.36Å; P629-L694 HydrophobicContact CB-CB 4.4Å; P629-L694 HydrophobicContact CB-CD1 4.08Å; P629-L694 HydrophobicContact CG-CB 4.14Å; P629-L694 HydrophobicContact CG-CD1 4.24Å
630R98.3Very high97.3Very high63 Ų6359.1 Ų59.124%0.23829%0.288CS..Hα-helixtrans-61.8-47.9177.2-171.664.461.9179.43.7112.2T628 V632 A633 D634 E688 V691 E695T628-R630 PolarHBondContact O-N 3.04Å; R630-V632 VanDerWaalsContact C-N 3.35Å; R630-V632 PolarHBondContact O-N 3.3Å; R630-A633 WeakPolarHBondContact O-CB 3.37Å; R630-A633 PolarHBondContact O-N 3.13Å; R630-A633 VanDerWaalsContact O-N 3.14Å; R630-D634 PolarHBondContact O-N 2.89Å; R630-E688 IonicContact CZ-OE2 3.5Å; R630-E688 VanDerWaalsContact NH1-CD 3.32Å; R630-E688 IonicContact NH1-OE1 3.49Å; R630-E688 PolarHBondContact NH1-OE1 3.11Å; R630-E688 IonicContact NH1-OE2 3.22Å; R630-E688 PolarHBondContact NH1-OE2 3.25Å; R630-V691 HydrophobicContact CB-CG1 4.27Å; R630-E695 IonicContact CZ-OE1 3.36Å; R630-E695 IonicContact CZ-OE2 2.74Å; R630-E695 IonicContact NE-OE1 2.93Å; R630-E695 PolarHBondContact NE-OE1 3.48Å; R630-E695 IonicContact NE-OE2 2.81Å; R630-E695 VanDerWaalsContact NH2-CD 3.34Å; R630-E695 IonicContact NH2-OE1 3.57Å; R630-E695 PolarHBondContact NH2-OE1 3.44Å; R630-E695 IonicContact NH2-OE2 2.71Å; R630-E695 PolarHBondContact NH2-OE2 2.89Å
631Q97.6Very high97.3Very high93 Ų9358.9 Ų58.944%0.43529%0.288SS..Hα-helixtrans-62.3-40.2179.4-72.8170.5-35.900112.5C627 T628 D634 K635C627-Q631 HydrophobicContact CB-CB 4.06Å; T628-Q631 PolarHBondContact O-N 3.35Å; T628-Q631 VanDerWaalsContact O-N 3.14Å; T628-Q631 WeakPolarHBondContact OG1-CG 3.25Å; T628-Q631 PolarHBondContact OG1-N 3.19Å; T628-Q631 PolarHBondContact OG1-OE1 3.26Å; Q631-D634 PolarHBondContact O-N 2.98Å; Q631-K635 WeakPolarHBondContact O-CG 3.17Å; Q631-K635 PolarHBondContact O-N 3.34Å
632V98Very high97.5Very high1 Ų160 Ų601%0.00628%0.28CS..Hα-helixtrans-64.4-42.7174.91800000110.7F616 L619 W623 C627 T628 P629 R630 D634 K635 V636F616-V632 HydrophobicContact CD2-CB 4.32Å; F616-V632 HydrophobicContact CD2-CG1 3.9Å; F616-V632 HydrophobicContact CE2-CB 4.4Å; F616-V632 HydrophobicContact CE2-CG1 4.4Å; L619-V632 HydrophobicContact CB-CG1 3.55Å; W623-V632 HydrophobicContact CE3-CG2 4.48Å; C627-V632 HydrophobicContact CB-CG2 3.54Å; T628-V632 PolarHBondContact O-N 3.05Å; T628-V632 VanDerWaalsContact O-N 3.08Å; P629-V632 PolarHBondContact O-N 3.04Å; R630-V632 VanDerWaalsContact C-N 3.35Å; R630-V632 PolarHBondContact O-N 3.3Å; V632-D634 PolarHBondContact O-N 3.15Å; V632-K635 PolarHBondContact O-N 2.96Å; V632-V636 HydrophobicContact CG1-CG2 4.32Å; V632-V636 WeakPolarHBondContact O-CG2 3.4Å; V632-V636 PolarHBondContact O-N 3.33Å
633A98.4Very high97.5Very high0 Ų055.7 Ų55.70%026%0.259CS..Hα-helixtrans-58.8-46.417700000111.8F616 P629 R630 V636 K637 I687 V691F616-A633 HydrophobicContact CD2-CB 4.06Å; F616-A633 HydrophobicContact CE2-CB 3.92Å; P629-A633 PolarHBondContact O-N 3.3Å; R630-A633 WeakPolarHBondContact O-CB 3.37Å; R630-A633 PolarHBondContact O-N 3.13Å; R630-A633 VanDerWaalsContact O-N 3.14Å; A633-V636 PolarHBondContact O-N 3.21Å; A633-K637 VanDerWaalsContact O-CB 3.32Å; A633-K637 WeakPolarHBondContact O-CB 3.31Å; A633-K637 WeakPolarHBondContact O-CG 3.11Å; A633-K637 PolarHBondContact O-N 3.29Å; A633-I687 HydrophobicContact CB-CG2 3.42Å; A633-I687 VanDerWaalsContact CB-CG2 3.42Å; A633-V691 HydrophobicContact CB-CG2 3.68Å
634D98.1Very high97.6Very high82 Ų8254.3 Ų54.344%0.43925%0.254SS..Hα-helixtrans-63.7-44.7-179.8-65.2-27.8000111.8R630 Q631 V632 V636 K637 W638R630-D634 PolarHBondContact O-N 2.89Å; Q631-D634 PolarHBondContact O-N 2.98Å; V632-D634 PolarHBondContact O-N 3.15Å; D634-V636 PolarHBondContact O-N 2.95Å; D634-K637 PolarHBondContact O-N 3.2Å; D634-W638 VanDerWaalsContact O-CB 3.26Å; D634-W638 WeakPolarHBondContact O-CB 3.49Å; D634-W638 PolarHBondContact O-N 3.13Å
635K98.1Very high97.8Very high59 Ų5949.8 Ų49.826%0.25724%0.242SC..Hα-helixtrans-58.4-48.5175.2-78.1179.1176.3-76.30112.4E597 W623 Q631 V632 W638 F639E597-K635 VanDerWaalsContact CD-NZ 3.34Å; E597-K635 WeakPolarHBondContact OE1-CE 3.44Å; E597-K635 IonicContact OE1-NZ 3.71Å; E597-K635 PolarHBondContact OE1-NZ 3.39Å; E597-K635 IonicContact OE2-NZ 3.76Å; E597-K635 PolarHBondContact OE2-NZ 2.96Å; E597-K635 VanDerWaalsContact OE2-NZ 3.17Å; W623-K635 HydrophobicContact CZ3-CD 4Å; Q631-K635 WeakPolarHBondContact O-CG 3.17Å; Q631-K635 PolarHBondContact O-N 3.34Å; V632-K635 PolarHBondContact O-N 2.96Å; K635-W638 PolarHBondContact O-N 3.45Å; K635-F639 PolarHBondContact O-N 3.18Å
636V98.6Very high97.9Very high0 Ų043.8 Ų43.80%022%0.215CC..Hα-helixtrans-65.2-44.3179.8171.40000111.2P612 M615 F616 L619 V632 A633 D634 W638 F639 F640 I687P612-V636 HydrophobicContact CB-CG1 4.47Å; P612-V636 WeakPolarHBondContact O-CG1 3.48Å; M615-V636 HydrophobicContact CB-CG1 4.44Å; M615-V636 HydrophobicContact CG-CG2 4.2Å; M615-V636 HydrophobicContact SD-CG1 4.45Å; M615-V636 HydrophobicContact SD-CG2 4.36Å; F616-V636 HydrophobicContact CB-CG1 4.38Å; F616-V636 HydrophobicContact CB-CG2 4.39Å; L619-V636 HydrophobicContact CD1-CG2 3.7Å; V632-V636 HydrophobicContact CG1-CG2 4.32Å; V632-V636 WeakPolarHBondContact O-CG2 3.4Å; V632-V636 PolarHBondContact O-N 3.33Å; A633-V636 PolarHBondContact O-N 3.21Å; D634-V636 PolarHBondContact O-N 2.95Å; V636-W638 VanDerWaalsContact C-N 3.33Å; V636-W638 PolarHBondContact O-N 2.91Å; V636-F639 PolarHBondContact O-N 3.34Å; V636-F640 HydrophobicContact CG1-CD2 3.88Å; V636-F640 HydrophobicContact CG1-CE2 4.09Å; V636-F640 WeakPolarHBondContact O-CD2 3.4Å; V636-F640 PolarHBondContact O-N 3.27Å; V636-I687 HydrophobicContact CG1-CD1 4.3Å
637K98.6Very high98.1Very high35 Ų3537.8 Ų37.815%0.15218%0.184CC..Hα-helixtrans-60.6-44.5177.1-75.7173.1170.1-169.10111.6A633 D634 T641 F684 E688A633-K637 VanDerWaalsContact O-CB 3.32Å; A633-K637 WeakPolarHBondContact O-CB 3.31Å; A633-K637 WeakPolarHBondContact O-CG 3.11Å; A633-K637 PolarHBondContact O-N 3.29Å; D634-K637 PolarHBondContact O-N 3.2Å; K637-T641 VanDerWaalsContact O-CB 3.29Å; K637-T641 WeakPolarHBondContact O-CB 3.45Å; K637-T641 PolarHBondContact O-N 2.92Å; K637-T641 PolarHBondContact O-OG1 3.32Å; K637-F684 HydrophobicContact CB-CD2 4.45Å; K637-F684 HydrophobicContact CB-CE1 4.22Å; K637-F684 HydrophobicContact CB-CE2 4.01Å; K637-F684 HydrophobicContact CB-CZ 3.89Å; K637-F684 HydrophobicContact CD-CD2 4.34Å; K637-F684 HydrophobicContact CD-CG 4.32Å; K637-F684 HydrophobicContact CG-CD1 3.77Å; K637-F684 HydrophobicContact CG-CD2 3.96Å; K637-F684 HydrophobicContact CG-CE1 3.79Å; K637-F684 HydrophobicContact CG-CE2 3.98Å; K637-F684 HydrophobicContact CG-CG 3.87Å; K637-F684 HydrophobicContact CG-CZ 3.9Å; K637-F684 WeakPolarHBondContact O-CZ 3.41Å; K637-E688 VanDerWaalsContact NZ-CD 3.29Å; K637-E688 VanDerWaalsContact NZ-CG 3.32Å; K637-E688 IonicContact NZ-OE1 3.73Å; K637-E688 PolarHBondContact NZ-OE1 3.11Å
638W98.3Very high98.2Very high106 Ų10640.1 Ų40.140%0.40219%0.193SC..Hα-helixtrans-60.2-49.9177.7-177.9-117.7000111.6M591 M593 D634 K635 V636 F640 T641 K642M591-W638 PolarHBondContact O-NE1 3.37Å; M593-W638 VanDerWaalsContact CE-CD1 3.41Å; M593-W638 HydrophobicContact CE-CG 4.5Å; D634-W638 VanDerWaalsContact O-CB 3.26Å; D634-W638 WeakPolarHBondContact O-CB 3.49Å; D634-W638 PolarHBondContact O-N 3.13Å; K635-W638 PolarHBondContact O-N 3.45Å; V636-W638 VanDerWaalsContact C-N 3.33Å; V636-W638 PolarHBondContact O-N 2.91Å; W638-F640 PolarHBondContact O-N 3.33Å; W638-T641 PolarHBondContact O-N 2.74Å; W638-K642 HydrophobicContact CD2-CG 4.17Å; W638-K642 HydrophobicContact CH2-CD 4.46Å; W638-K642 HydrophobicContact CZ2-CD 4.27Å; W638-K642 HydrophobicContact CZ2-CG 4.25Å; W638-K642 PolarHBondContact O-N 3.31Å
639F98.6Very high98.3Very high0 Ų038.5 Ų38.50%018%0.18CC..Hα-helixtrans-54.9-54.2176.4168.4-103000112.4L522 L523 M593 L598 Y601 M615 K635 V636 T641 K642 H643L522-F639 HydrophobicContact CD1-CZ 4.47Å; L522-F639 HydrophobicContact CD2-CE2 4.07Å; L522-F639 HydrophobicContact CD2-CZ 4.17Å; L522-F639 HydrophobicContact CG-CE2 4.24Å; L522-F639 HydrophobicContact CG-CZ 4.36Å; L523-F639 HydrophobicContact CD1-CD2 4.15Å; M593-F639 HydrophobicContact CE-CB 4.44Å; M593-F639 HydrophobicContact SD-CD2 4.32Å; L598-F639 HydrophobicContact CD1-CD2 4.05Å; L598-F639 HydrophobicContact CD1-CE2 3.8Å; Y601-F639 HydrophobicContact CD2-CB 4.07Å; Y601-F639 AromaticContact CD2-CD2 3.61Å; Y601-F639 HydrophobicContact CD2-CD2 3.61Å; Y601-F639 HydrophobicContact CD2-CE2 4.24Å; Y601-F639 AromaticContact CD2-CG 3.84Å; Y601-F639 HydrophobicContact CD2-CG 3.84Å; Y601-F639 HydrophobicContact CE2-CB 4.32Å; Y601-F639 HydrophobicContact CG-CB 4.43Å; Y601-F639 HydrophobicContact CG-CD1 4.31Å; Y601-F639 AromaticContact CG-CD2 3.96Å; Y601-F639 HydrophobicContact CG-CD2 3.96Å; Y601-F639 HydrophobicContact CG-CE2 4.32Å; Y601-F639 AromaticContact CG-CG 3.96Å; Y601-F639 HydrophobicContact CG-CG 3.96Å; M615-F639 HydrophobicContact CE-CD1 4.33Å; M615-F639 HydrophobicContact CE-CE1 3.94Å; M615-F639 HydrophobicContact SD-CD1 4.14Å; M615-F639 HydrophobicContact SD-CE1 4.35Å; K635-F639 PolarHBondContact O-N 3.18Å; V636-F639 PolarHBondContact O-N 3.34Å; F639-T641 VanDerWaalsContact C-N 3.31Å; F639-T641 PolarHBondContact O-N 3.46Å; F639-K642 PolarHBondContact O-N 3.1Å; F639-H643 WeakPolarHBondContact O-CB 3.38Å; F639-H643 PolarHBondContact O-N 3.27Å
640F98.7Very high98.3Very high9 Ų937.3 Ų37.34%0.03917%0.172CC..Hα-helixtrans-66.2-33.3-178-86.2-83.6000112.8P612 M615 V636 W638 S644 W680 F684P612-F640 VanDerWaalsContact CA-CE2 3.45Å; P612-F640 HydrophobicContact CB-CD2 3.89Å; P612-F640 HydrophobicContact CB-CE2 4.03Å; P612-F640 HydrophobicContact CB-CG 4.18Å; P612-F640 HydrophobicContact CB-CZ 4.42Å; P612-F640 HydrophobicContact CG-CB 4.45Å; P612-F640 HydrophobicContact CG-CD1 3.73Å; P612-F640 HydrophobicContact CG-CD2 3.93Å; P612-F640 HydrophobicContact CG-CE1 3.86Å; P612-F640 HydrophobicContact CG-CE2 4.08Å; P612-F640 HydrophobicContact CG-CG 3.77Å; P612-F640 HydrophobicContact CG-CZ 4.03Å; M615-F640 HydrophobicContact CB-CE2 4.31Å; M615-F640 HydrophobicContact CE-CE2 3.69Å; M615-F640 HydrophobicContact CE-CZ 3.84Å; M615-F640 HydrophobicContact SD-CE2 3.69Å; M615-F640 HydrophobicContact SD-CZ 4.45Å; V636-F640 HydrophobicContact CG1-CD2 3.88Å; V636-F640 HydrophobicContact CG1-CE2 4.09Å; V636-F640 WeakPolarHBondContact O-CD2 3.4Å; V636-F640 PolarHBondContact O-N 3.27Å; W638-F640 PolarHBondContact O-N 3.33Å; F640-S644 WeakPolarHBondContact O-CB 3.45Å; F640-S644 PolarHBondContact O-N 2.97Å; F640-S644 PolarHBondContact O-OG 3.37Å; F640-W680 HydrophobicContact CD1-CZ2 4.26Å; F640-W680 PolarHBondContact O-NE1 3.45Å; F640-F684 HydrophobicContact CB-CE1 4.33Å; F640-F684 HydrophobicContact CB-CZ 4.24Å
641T98.4Very high98.3Very high34 Ų3436.4 Ų36.421%0.20917%0.173CC..Hα-helixtrans-63.7-53.4174.8-57.90000110.3K637 W638 F639 S644 I645K637-T641 VanDerWaalsContact O-CB 3.29Å; K637-T641 WeakPolarHBondContact O-CB 3.45Å; K637-T641 PolarHBondContact O-N 2.92Å; K637-T641 PolarHBondContact O-OG1 3.32Å; W638-T641 PolarHBondContact O-N 2.74Å; F639-T641 VanDerWaalsContact C-N 3.31Å; F639-T641 PolarHBondContact O-N 3.46Å; T641-S644 PolarHBondContact O-N 3.34Å; T641-S644 PolarHBondContact O-OG 3.31Å; T641-I645 HydrophobicContact CG2-CD1 3.74Å; T641-I645 VanDerWaalsContact O-CG1 3.27Å; T641-I645 WeakPolarHBondContact O-CG1 3.32Å; T641-I645 PolarHBondContact O-N 3.44Å
642K98.1Very high98.4Very high66 Ų6634.4 Ų34.429%0.28717%0.168SC..Hα-helixtrans-62.5-47.2179.3-71.4-67.9-173.2168.50112.6L523 W638 F639 S644 I645 N646L523-K642 HydrophobicContact CD1-CB 3.62Å; L523-K642 HydrophobicContact CG-CB 4.29Å; W638-K642 HydrophobicContact CD2-CG 4.17Å; W638-K642 HydrophobicContact CH2-CD 4.46Å; W638-K642 HydrophobicContact CZ2-CD 4.27Å; W638-K642 HydrophobicContact CZ2-CG 4.25Å; W638-K642 PolarHBondContact O-N 3.31Å; F639-K642 PolarHBondContact O-N 3.1Å; K642-S644 VanDerWaalsContact C-N 3.33Å; K642-S644 PolarHBondContact O-N 2.86Å; K642-I645 PolarHBondContact O-N 3.5Å; K642-N646 WeakPolarHBondContact O-CB 3.5Å; K642-N646 PolarHBondContact O-N 3.35Å; K642-N646 PolarHBondContact O-ND2 2.92Å
643H98.3Very high98.4Very high5 Ų535.1 Ų35.12%0.02317%0.171CC..Hα-helixtrans-53.8-49.4175.6174.169.7000111.7L522 R605 F639 N646 R647L522-H643 PolarHBondContact O-ND1 2.8Å; R605-H643 PolarHBondContact NE-CE1 3.39Å; R605-H643 PolarHBondContact NE-NE2 3.1Å; R605-H643 VanDerWaalsContact NE-NE2 3.12Å; R605-H643 PolarHBondContact NH2-CE1 3.29Å; R605-H643 PolarHBondContact NH2-NE2 2.71Å; F639-H643 WeakPolarHBondContact O-CB 3.38Å; F639-H643 PolarHBondContact O-N 3.27Å; H643-N646 PolarHBondContact O-N 3.37Å; H643-R647 PolarHBondContact O-N 3.48Å
644S98.5Very high98.4Very high3 Ų335.5 Ų35.52%0.02117%0.174CC..Hα-helixtrans-71.6-36.2-176.2620000113.8F640 T641 K642 N646 W680F640-S644 WeakPolarHBondContact O-CB 3.45Å; F640-S644 PolarHBondContact O-N 2.97Å; F640-S644 PolarHBondContact O-OG 3.37Å; T641-S644 PolarHBondContact O-N 3.34Å; T641-S644 PolarHBondContact O-OG 3.31Å; K642-S644 VanDerWaalsContact C-N 3.33Å; K642-S644 PolarHBondContact O-N 2.86Å; S644-N646 VanDerWaalsContact C-N 3.34Å; S644-W680 PolarHBondContact OG-NE1 3.47Å
645I98.4Very high98.4Very high79 Ų7934.2 Ų34.241%0.40517%0.17SC..Hα-helixtrans-61.9-44.4172.9-70.8168.1000110.4T641 K642 H648 T678T641-I645 HydrophobicContact CG2-CD1 3.74Å; T641-I645 VanDerWaalsContact O-CG1 3.27Å; T641-I645 WeakPolarHBondContact O-CG1 3.32Å; T641-I645 PolarHBondContact O-N 3.44Å; K642-I645 PolarHBondContact O-N 3.5Å; I645-H648 PolarHBondContact O-CE1 3.03Å; I645-H648 PolarHBondContact O-ND1 3.38Å; I645-T678 HydrophobicContact CB-CG2 4.47Å; I645-T678 HydrophobicContact CG1-CG2 3.69Å
646N98.5Very high98.4Very high29 Ų2932 Ų3216%0.15516%0.163CC..Hα-helixtrans-90.6-4.7-171.6-66.4-39.7000114.3L523 K642 H643 S644 H648 K649L523-N646 WeakPolarHBondContact O-CB 3.49Å; L523-N646 PolarHBondContact O-ND2 2.79Å; K642-N646 WeakPolarHBondContact O-CB 3.5Å; K642-N646 PolarHBondContact O-N 3.35Å; K642-N646 PolarHBondContact O-ND2 2.92Å; H643-N646 PolarHBondContact O-N 3.37Å; S644-N646 VanDerWaalsContact C-N 3.34Å; N646-H648 PolarHBondContact O-N 2.82Å; N646-K649 HydrophobicContact CB-CD 4.34Å; N646-K649 WeakPolarHBondContact O-CB 3.5Å; N646-K649 WeakPolarHBondContact O-CG 3.41Å; N646-K649 PolarHBondContact O-N 2.85Å; N646-K649 PolarHBondContact OD1-NZ 2.89Å
647R98.4Very high98.5Very high6 Ų632.1 Ų32.12%0.02316%0.163CC..G310 helixtrans-56.7-31.3-174-176.256.9178.8-170.42.7113.7H643 K649 M650 P664 D666 D670 P673 F674 Y676H643-R647 PolarHBondContact O-N 3.48Å; R647-K649 PolarHBondContact O-N 3.19Å; R647-M650 VanDerWaalsContact O-CB 3.28Å; R647-M650 WeakPolarHBondContact O-CB 3.33Å; R647-M650 PolarHBondContact O-N 2.81Å; R647-P664 VanDerWaalsContact CZ-O 3.24Å; R647-P664 PolarHBondContact NH1-O 2.91Å; R647-P664 PolarHBondContact NH2-O 3.18Å; R647-D666 IonicContact CZ-OD1 2.8Å; R647-D666 IonicContact NE-OD1 3.88Å; R647-D666 IonicContact NH2-OD1 2.85Å; R647-D666 PolarHBondContact NH2-OD1 3.29Å; R647-D670 IonicContact NH1-OD2 3.1Å; R647-D670 PolarHBondContact NH2-O 2.99Å; R647-D670 IonicContact NH2-OD2 3.38Å; R647-P673 WeakPolarHBondContact CG-O 3.42Å; R647-F674 HydrophobicContact CG-CB 4.23Å; R647-Y676 HydrophobicContact CB-CD2 4.44Å; R647-Y676 HydrophobicContact CB-CE2 3.98Å; R647-Y676 HydrophobicContact CG-CE2 3.95Å
648H98.6Very high98.5Very high68 Ų6830.7 Ų30.732%0.31516%0.157SC..G310 helixtrans-59.9-12.9174.675.5-87.2000114.9K528 I645 N646 T651K528-H648 PolarHBondContact NZ-O 3.31Å; I645-H648 PolarHBondContact O-CE1 3.03Å; I645-H648 PolarHBondContact O-ND1 3.38Å; N646-H648 PolarHBondContact O-N 2.82Å; H648-T651 PolarHBondContact O-OG1 3.01Å; H648-T651 VanDerWaalsContact O-OG1 3.14Å
649K98.6Very high98.5Very high35 Ų3525.8 Ų25.815%0.15214%0.139CC..G310 helixtrans-78.3-32.4172.4-60.3-179-172.8175.80111.5G524 L526 K528 N646 R647 T651 T652 L653G524-K649 WeakPolarHBondContact O-CD 3.49Å; G524-K649 PolarHBondContact O-NZ 2.88Å; L526-K649 HydrophobicContact CD1-CB 4.13Å; L526-K649 HydrophobicContact CD1-CD 3.88Å; L526-K649 HydrophobicContact CG-CD 4.39Å; L526-K649 WeakPolarHBondContact O-CE 3.42Å; L526-K649 PolarHBondContact O-NZ 2.97Å; K528-K649 HydrophobicContact CB-CG 4.31Å; K528-K649 HydrophobicContact CD-CG 4.41Å; N646-K649 HydrophobicContact CB-CD 4.34Å; N646-K649 WeakPolarHBondContact O-CB 3.5Å; N646-K649 WeakPolarHBondContact O-CG 3.41Å; N646-K649 PolarHBondContact O-N 2.85Å; N646-K649 PolarHBondContact OD1-NZ 2.89Å; R647-K649 PolarHBondContact O-N 3.19Å; K649-T651 VanDerWaalsContact C-N 3.28Å; K649-T651 PolarHBondContact O-N 2.86Å; K649-T652 PolarHBondContact O-N 2.89Å; K649-L653 PolarHBondContact O-N 2.9Å
650M98.4Very high98.4Very high11 Ų1126.5 Ų26.55%0.05414%0.142CC..G310 helixtrans-66.1-29.8-178.4-168.769.4-11200112.6R647 T652 L653 P664 D666R647-M650 VanDerWaalsContact O-CB 3.28Å; R647-M650 WeakPolarHBondContact O-CB 3.33Å; R647-M650 PolarHBondContact O-N 2.81Å; M650-T652 PolarHBondContact O-N 2.96Å; M650-T652 VanDerWaalsContact O-N 3.16Å; M650-L653 HydrophobicContact CE-CB 3.61Å; M650-L653 HydrophobicContact CE-CD2 3.58Å; M650-L653 HydrophobicContact CE-CG 4.19Å; M650-L653 PolarHBondContact O-N 2.81Å; M650-L653 HydrophobicContact SD-CD2 4Å; M650-P664 WeakPolarHBondContact CG-O 3.42Å; M650-P664 HydrophobicContact SD-CB 4.13Å; M650-P664 HydrophobicContact SD-CG 3.97Å; M650-D666 HydrophobicContact CG-CB 3.86Å
651T98.3Very high98.2Very high43 Ų4329.5 Ų29.526%0.26416%0.159SC..G310 helixtrans-66.1-17.5-17967.70000113.1H648 K649 F674H648-T651 PolarHBondContact O-OG1 3.01Å; H648-T651 VanDerWaalsContact O-OG1 3.14Å; K649-T651 VanDerWaalsContact C-N 3.28Å; K649-T651 PolarHBondContact O-N 2.86Å; T651-F674 HydrophobicContact CG2-CB 3.76Å; T651-F674 HydrophobicContact CG2-CD1 4Å; T651-F674 HydrophobicContact CG2-CG 3.88Å
652T98Very high98.2Very high52 Ų5228 Ų2832%0.31915%0.149SC..G310 helixtrans-129.316.8-179.460.30000112K528 K649 M650K528-T652 WeakPolarHBondContact CE-OG1 3.39Å; K649-T652 PolarHBondContact O-N 2.89Å; M650-T652 PolarHBondContact O-N 2.96Å; M650-T652 VanDerWaalsContact O-N 3.16Å
653L98.2Very high98.2Very high16 Ų1625.3 Ų25.38%0.08414%0.139CC..SBendtrans-76.1150.2175.4-162.464.8000109.6S521 L526 K649 M650S521-L653 WeakPolarHBondContact OG-CD2 3.38Å; L526-L653 HydrophobicContact CD1-CD1 4.18Å; L526-L653 HydrophobicContact CD2-CD1 3.7Å; L526-L653 HydrophobicContact CD2-CD2 4.34Å; K649-L653 PolarHBondContact O-N 2.9Å; M650-L653 HydrophobicContact CE-CB 3.61Å; M650-L653 HydrophobicContact CE-CD2 3.58Å; M650-L653 HydrophobicContact CE-CG 4.19Å; M650-L653 PolarHBondContact O-N 2.81Å; M650-L653 HydrophobicContact SD-CD2 4Å
654T98.7Very high98.2Very high8 Ų825.1 Ų25.15%0.04914%0.138CC..PPolyproline II helixtrans-50136.6176.6-52.80000112.4S532 S533 A534 I536 N537 A656S532-T654 PolarHBondContact O-OG1 3.33Å; S533-T654 VanDerWaalsContact CA-OG1 3.27Å; S533-T654 WeakPolarHBondContact CA-OG1 3.41Å; A534-T654 HydrophobicContact CB-CG2 4.12Å; A534-T654 PolarHBondContact N-OG1 3.05Å; A534-T654 WeakPolarHBondContact O-CG2 3.43Å; A534-T654 PolarHBondContact O-OG1 3.25Å; I536-T654 VanDerWaalsContact C-CG2 3.4Å; N537-T654 HydrophobicContact CB-CG2 3.82Å; T654-A656 PolarHBondContact O-N 3.09Å
655P98.7Very high98.2Very high54 Ų5425.5 Ų25.535%0.35114%0.14SC..PPolyproline II helixtrans-60.2129.9170.726.6-34.6000110.3D535 N537D535-P655 WeakPolarHBondContact O-CG 3.44Å; N537-P655 PolarHBondContact N-O 3.41Å
656A98.7Very high98.1Very high14 Ų1423 Ų2312%0.11613%0.127CC..BIsolated β-bridgetrans-121.2145.1-17400000112.7R239 N537 T654 H658R239-A656 WeakPolarHBondContact CB-O 3.48Å; N537-A656 HydrophobicContact CB-CB 4.14Å; N537-A656 CarbonylContact O-C 3.58Å; N537-A656 WeakPolarHBondContact O-CA 3.35Å; N537-A656 WeakPolarHBondContact O-CB 3.5Å; T654-A656 PolarHBondContact O-N 3.09Å; A656-H658 PolarHBondContact O-N 3.01Å
657Y98.8Very high98.1Very high1 Ų124.8 Ų24.80%0.00414%0.137CC..  trans-48.3129.9170.1176.9-93.2000110.6H204 Y241 G335 P336 W339 N537 G541 A659H204-Y657 PolarHBondContact CE1-OH 3.34Å; H204-Y657 VanDerWaalsContact CG-OH 3.28Å; H204-Y657 AromaticContact ND1-CE1 3.62Å; H204-Y657 AromaticContact ND1-CZ 3.52Å; H204-Y657 PolarHBondContact ND1-OH 3.31Å; Y241-Y657 HydrophobicContact CG-CE2 4.08Å; G335-Y657 WeakPolarHBondContact CA-OH 3.44Å; P336-Y657 HydrophobicContact CB-CD2 4.5Å; P336-Y657 HydrophobicContact CB-CG 4.43Å; P336-Y657 HydrophobicContact CG-CD1 3.83Å; P336-Y657 HydrophobicContact CG-CD2 4.49Å; P336-Y657 HydrophobicContact CG-CE1 3.71Å; P336-Y657 HydrophobicContact CG-CE2 4.35Å; P336-Y657 HydrophobicContact CG-CG 4.24Å; W339-Y657 HydrophobicContact CB-CD2 3.73Å; W339-Y657 HydrophobicContact CB-CE2 3.85Å; W339-Y657 AromaticContact CD1-CD2 3.99Å; W339-Y657 AromaticContact CD2-CD2 3.75Å; W339-Y657 HydrophobicContact CD2-CD2 3.75Å; W339-Y657 HydrophobicContact CD2-CG 4.5Å; W339-Y657 HydrophobicContact CE3-CD2 4.16Å; W339-Y657 AromaticContact CG-CD2 3.57Å; W339-Y657 HydrophobicContact CG-CD2 3.57Å; W339-Y657 HydrophobicContact CG-CE2 4.09Å; N537-Y657 PolarHBondContact O-N 3.45Å; G541-Y657 WeakPolarHBondContact CA-O 3.3Å; G541-Y657 PolarHBondContact N-O 3.4Å; Y657-A659 HydrophobicContact CD1-CB 3.92Å; Y657-A659 HydrophobicContact CE1-CB 3.77Å
658H98.8Very high98Very high6 Ų628.3 Ų28.33%0.02815%0.15CC..  trans-80.8120.9176.3-169.383.2000111.1N122 H203 R239 L240 A656 F669N122-H658 PolarHBondContact ND2-CE1 3.07Å; N122-H658 VanDerWaalsContact ND2-CE1 3.33Å; N122-H658 PolarHBondContact ND2-ND1 3.42Å; N122-H658 PolarHBondContact ND2-NE2 3.25Å; H203-H658 AromaticContact CD2-CD2 3.6Å; H203-H658 AromaticContact NE2-CD2 3.77Å; H203-H658 AromaticContact NE2-NE2 3.89Å; R239-H658 PolarHBondContact O-N 3.23Å; L240-H658 HydrophobicContact CD2-CB 3.67Å; A656-H658 PolarHBondContact O-N 3.01Å; H658-F669 AromaticContact CE1-CD2 3.56Å; H658-F669 AromaticContact CE1-CE2 3.52Å; H658-F669 AromaticContact CE1-CG 3.87Å; H658-F669 AromaticContact CE1-CZ 3.8Å; H658-F669 AromaticContact NE2-CE2 3.99Å
659A97.9Very high98Very high2 Ų226 Ų262%0.01714%0.139CC..  trans-131.2-59.4174.900000111.4V205 L206 I542 Y657V205-A659 WeakPolarHBondContact CA-O 3.44Å; L206-A659 HydrophobicContact CB-CB 4.3Å; L206-A659 PolarHBondContact N-O 3.35Å; I542-A659 HydrophobicContact CG1-CB 4.05Å; Y657-A659 HydrophobicContact CD1-CB 3.92Å; Y657-A659 HydrophobicContact CE1-CB 3.77Å
660E96.8Very high98Very high15 Ų1524.4 Ų24.47%0.0713%0.132CC..  trans-83.7133.4-176.8-70.6-77.1-160.600113.2R207 G541 Y662 S663R207-E660 IonicContact NH1-OE1 2.7Å; G541-E660 WeakPolarHBondContact O-CB 3.13Å; G541-E660 WeakPolarHBondContact O-CG 3.39Å; G541-E660 PolarHBondContact O-N 2.93Å; E660-Y662 HydrophobicContact CB-CD1 3.72Å; E660-Y662 HydrophobicContact CB-CE1 3.59Å; E660-Y662 HydrophobicContact CB-CG 4.47Å; E660-Y662 HydrophobicContact CG-CD1 4.23Å; E660-Y662 HydrophobicContact CG-CE1 3.6Å; E660-Y662 PolarHBondContact O-N 2.91Å; E660-Y662 WeakPolarHBondContact OE2-CE1 3.47Å; E660-S663 PolarHBondContact O-N 3.36Å
661N95Very high98Very high73 Ų7329.2 Ų29.239%0.3916%0.157SC..THydrogen-bonded Turntrans-703.8176.1-100.3-11.6000114.3V205 F669V205-N661 HydrophobicContact CG1-CB 4.22Å; V205-N661 VanDerWaalsContact CG1-CG 3.46Å; V205-N661 WeakPolarHBondContact CG1-ND2 3.32Å; N661-F669 WeakPolarHBondContact O-CE1 3.45Å; N661-F669 WeakPolarHBondContact O-CZ 3.18Å
662Y97.9Very high98Very high2 Ų232 Ų321%0.00816%0.163CC..THydrogen-bonded Turntrans-112.913.7174.673-89.2000114.2V518 D519 S543 K603 E660V518-Y662 HydrophobicContact CG1-CE2 3.76Å; V518-Y662 WeakPolarHBondContact CG1-OH 3.35Å; V518-Y662 HydrophobicContact CG2-CE2 4.24Å; D519-Y662 PolarHBondContact OD1-OH 3.08Å; S543-Y662 WeakPolarHBondContact CB-OH 3.28Å; K603-Y662 HydrophobicContact CG-CD1 3.77Å; K603-Y662 HydrophobicContact CG-CE1 4.19Å; K603-Y662 HydrophobicContact CG-CG 4.06Å; E660-Y662 HydrophobicContact CB-CD1 3.72Å; E660-Y662 HydrophobicContact CB-CE1 3.59Å; E660-Y662 HydrophobicContact CB-CG 4.47Å; E660-Y662 HydrophobicContact CG-CD1 4.23Å; E660-Y662 HydrophobicContact CG-CE1 3.6Å; E660-Y662 PolarHBondContact O-N 2.91Å; E660-Y662 WeakPolarHBondContact OE2-CE1 3.47Å
663S98Very high98Very high9 Ų933.2 Ų33.26%0.06317%0.172CC..  trans-49.1136.3-179.7179.70000113.1E660 E665 F669E660-S663 PolarHBondContact O-N 3.36Å; S663-E665 PolarHBondContact O-N 2.88Å; S663-E665 VanDerWaalsContact OG-CB 3.28Å; S663-E665 WeakPolarHBondContact OG-CB 3.29Å; S663-E665 PolarHBondContact OG-N 3.43Å; S663-F669 WeakPolarHBondContact O-CD1 3.47Å
664P98.4Very high98Very high2 Ų238.3 Ų38.31%0.01319%0.193CC..  trans-82.84.4174.135.6-36.9000112.9V518 L522 R647 M650 D666V518-P664 VanDerWaalsContact CG2-CD 3.5Å; L522-P664 HydrophobicContact CB-CB 4.16Å; L522-P664 HydrophobicContact CB-CG 4.04Å; L522-P664 HydrophobicContact CD1-CB 3.98Å; R647-P664 VanDerWaalsContact CZ-O 3.24Å; R647-P664 PolarHBondContact NH1-O 2.91Å; R647-P664 PolarHBondContact NH2-O 3.18Å; M650-P664 WeakPolarHBondContact CG-O 3.42Å; M650-P664 HydrophobicContact SD-CB 4.13Å; M650-P664 HydrophobicContact SD-CG 3.97Å; P664-D666 PolarHBondContact O-N 2.95Å
665E98.4Very high98Very high11 Ų1145.2 Ų45.25%0.05123%0.229CC..  trans-55.9127.7-171.2-167.5-67.114600112.8R239 S663 N667 R668 F669 D670R239-E665 IonicContact CZ-OE1 2.74Å; R239-E665 IonicContact CZ-OE2 3.6Å; R239-E665 IonicContact NH1-OE1 3.71Å; R239-E665 PolarHBondContact NH1-OE1 3.32Å; R239-E665 IonicContact NH1-OE2 3.54Å; R239-E665 PolarHBondContact NH1-OE2 3.3Å; R239-E665 IonicContact NH2-OE1 3.19Å; R239-E665 PolarHBondContact NH2-OE1 3.36Å; S663-E665 PolarHBondContact O-N 2.88Å; S663-E665 VanDerWaalsContact OG-CB 3.28Å; S663-E665 WeakPolarHBondContact OG-CB 3.29Å; S663-E665 PolarHBondContact OG-N 3.43Å; E665-N667 VanDerWaalsContact CD-N 3.28Å; E665-N667 WeakPolarHBondContact OE1-CA 3.29Å; E665-N667 WeakPolarHBondContact OE1-CB 2.93Å; E665-N667 PolarHBondContact OE1-N 3.2Å; E665-N667 PolarHBondContact OE1-ND2 3.37Å; E665-N667 PolarHBondContact OE2-N 2.6Å; E665-R668 PolarHBondContact OE2-N 3.44Å; E665-F669 HydrophobicContact CB-CB 4.48Å; E665-F669 PolarHBondContact OE2-N 2.8Å; E665-D670 WeakPolarHBondContact O-CA 3.37Å; E665-D670 WeakPolarHBondContact O-CB 3.45Å; E665-D670 PolarHBondContact O-N 3.08Å
666D98.1Very high98Very high26 Ų2645 Ų4514%0.13922%0.222CC..THydrogen-bonded Turntrans-94.2-22.3-165.9-163.366.7000115.3R647 M650 P664 L671 R672R647-D666 IonicContact CZ-OD1 2.8Å; R647-D666 IonicContact NE-OD1 3.88Å; R647-D666 IonicContact NH2-OD1 2.85Å; R647-D666 PolarHBondContact NH2-OD1 3.29Å; M650-D666 HydrophobicContact CG-CB 3.86Å; P664-D666 PolarHBondContact O-N 2.95Å; D666-L671 WeakPolarHBondContact O-CD2 3.48Å; D666-R672 PolarHBondContact OD1-N 2.83Å
667N97.9Very high98Very high67 Ų6749.3 Ų49.336%0.35824%0.243SC..THydrogen-bonded Turntrans-77.1-28.2-176-53.6-90.5000112.5R239 E665R239-N667 VanDerWaalsContact NH2-CB 3.34Å; R239-N667 PolarHBondContact NH2-ND2 3.41Å; E665-N667 VanDerWaalsContact CD-N 3.28Å; E665-N667 WeakPolarHBondContact OE1-CA 3.29Å; E665-N667 WeakPolarHBondContact OE1-CB 2.93Å; E665-N667 PolarHBondContact OE1-N 3.2Å; E665-N667 PolarHBondContact OE1-ND2 3.37Å; E665-N667 PolarHBondContact OE2-N 2.6Å
668R96.8Very high98Very high80 Ų8051.4 Ų51.430%0.30226%0.256SS..THydrogen-bonded Turntrans-133.1-55.9-178.1-56.9-69.2-179.1-87.5-1.4112.6W54 R124 E665W54-R668 HydrophobicContact CH2-CG 4.43Å; R124-R668 VanDerWaalsContact NH2-CA 3.31Å; R124-R668 PolarHBondContact NH2-O 2.59Å; E665-R668 PolarHBondContact OE2-N 3.44Å
669F98.4Very high97.9Very high18 Ų1854.8 Ų54.88%0.07928%0.28CS..THydrogen-bonded Turntrans-83.3-38-160.8-170.2-109.4000114.3N122 K606 H658 N661 S663 E665N122-F669 WeakPolarHBondContact OD1-CB 3.46Å; N122-F669 WeakPolarHBondContact OD1-CD2 3.46Å; K606-F669 HydrophobicContact CD-CE1 4.38Å; K606-F669 HydrophobicContact CG-CE1 4.12Å; K606-F669 PolarHBondContact NZ-O 2.9Å; H658-F669 AromaticContact CE1-CD2 3.56Å; H658-F669 AromaticContact CE1-CE2 3.52Å; H658-F669 AromaticContact CE1-CG 3.87Å; H658-F669 AromaticContact CE1-CZ 3.8Å; H658-F669 AromaticContact NE2-CE2 3.99Å; N661-F669 WeakPolarHBondContact O-CE1 3.45Å; N661-F669 WeakPolarHBondContact O-CZ 3.18Å; S663-F669 WeakPolarHBondContact O-CD1 3.47Å; E665-F669 HydrophobicContact CB-CB 4.48Å; E665-F669 PolarHBondContact OE2-N 2.8Å
670D98.4Very high98Very high2 Ų256.3 Ų56.31%0.01129%0.285CS..  trans-13171.2-174.5-168.844.1000111.9R605 K606 R647 E665 R672R605-D670 IonicContact CZ-OD2 3.72Å; R605-D670 IonicContact NH1-OD1 3.98Å; R605-D670 IonicContact NH1-OD2 3.89Å; R605-D670 PolarHBondContact NH1-OD2 3.19Å; R605-D670 IonicContact NH2-OD2 2.73Å; R605-D670 PolarHBondContact NH2-OD2 2.97Å; K606-D670 HydrophobicContact CD-CB 4.39Å; K606-D670 WeakPolarHBondContact CD-OD1 3.39Å; K606-D670 IonicContact NZ-OD1 3.87Å; K606-D670 PolarHBondContact NZ-OD1 3.4Å; R647-D670 IonicContact NH1-OD2 3.1Å; R647-D670 PolarHBondContact NH2-O 2.99Å; R647-D670 IonicContact NH2-OD2 3.38Å; E665-D670 WeakPolarHBondContact O-CA 3.37Å; E665-D670 WeakPolarHBondContact O-CB 3.45Å; E665-D670 PolarHBondContact O-N 3.08Å; D670-R672 WeakPolarHBondContact O-CG 3.32Å; D670-R672 PolarHBondContact O-N 3.07Å; D670-R672 IonicContact OD1-CZ 3.96Å; D670-R672 IonicContact OD1-NE 3.96Å; D670-R672 PolarHBondContact OD1-NE 3.05Å; D670-R672 IonicContact OD1-NH2 3.04Å; D670-R672 PolarHBondContact OD1-NH2 3.07Å; D670-R672 IonicContact OD2-NE 2.73Å
671L98.1Very high98.1Very high113 Ų11358.6 Ų58.659%0.59230%0.302SS*.  trans-62.4117.7176.2-51.5-175.7000110.7D666D666-L671 WeakPolarHBondContact O-CD2 3.48Å
672R98.3Very high98.2Very high101 Ų10163.5 Ų63.538%0.38132%0.315SS..  trans-145.6156.3-175.2-66.6-65.7-179.61702.4111.7D666 D670 Y676D666-R672 PolarHBondContact OD1-N 2.83Å; D670-R672 WeakPolarHBondContact O-CG 3.32Å; D670-R672 PolarHBondContact O-N 3.07Å; D670-R672 IonicContact OD1-CZ 3.96Å; D670-R672 IonicContact OD1-NE 3.96Å; D670-R672 PolarHBondContact OD1-NE 3.05Å; D670-R672 IonicContact OD1-NH2 3.04Å; D670-R672 PolarHBondContact OD1-NH2 3.07Å; D670-R672 IonicContact OD2-NE 2.73Å; R672-Y676 WeakPolarHBondContact CB-OH 3.37Å
673P98.6Very high98.3Very high77 Ų7766.5 Ų66.550%0.533%0.329SS..  trans-55.3155.3163.5-22.431.2000111.2R647 Y676R647-P673 WeakPolarHBondContact CG-O 3.42Å; P673-Y676 HydrophobicContact CB-CD1 4.48Å; P673-Y676 HydrophobicContact CB-CE1 3.93Å; P673-Y676 HydrophobicContact CB-CE2 4.12Å; P673-Y676 WeakPolarHBondContact CD-OH 3.42Å; P673-Y676 HydrophobicContact CG-CE1 4.1Å; P673-Y676 WeakPolarHBondContact O-CE2 3.47Å; P673-Y676 PolarHBondContact O-OH 3.39Å
674F98.3Very high98.3Very high123 Ų12367.2 Ų67.254%0.53933%0.331SS..SBendtrans-122.9-3.8171.662.3-94.2000113.1R647 T651R647-F674 HydrophobicContact CG-CB 4.23Å; T651-F674 HydrophobicContact CG2-CB 3.76Å; T651-F674 HydrophobicContact CG2-CD1 4Å; T651-F674 HydrophobicContact CG2-CG 3.88Å
675L98.4Very high98.3Very high154 Ų15473.9 Ų73.981%0.80636%0.356SS*.SBendtrans-116.499.3168.9179.763.3000108.4
676Y98.6Very high98.3Very high48 Ų4875.3 Ų75.319%0.18837%0.366CS..  trans-104156.2179.6-69.4-90000111.8R647 R672 P673 T678 W680R647-Y676 HydrophobicContact CB-CD2 4.44Å; R647-Y676 HydrophobicContact CB-CE2 3.98Å; R647-Y676 HydrophobicContact CG-CE2 3.95Å; R672-Y676 WeakPolarHBondContact CB-OH 3.37Å; P673-Y676 HydrophobicContact CB-CD1 4.48Å; P673-Y676 HydrophobicContact CB-CE1 3.93Å; P673-Y676 HydrophobicContact CB-CE2 4.12Å; P673-Y676 WeakPolarHBondContact CD-OH 3.42Å; P673-Y676 HydrophobicContact CG-CE1 4.1Å; P673-Y676 WeakPolarHBondContact O-CE2 3.47Å; P673-Y676 PolarHBondContact O-OH 3.39Å; Y676-T678 PolarHBondContact O-N 3.03Å; Y676-T678 VanDerWaalsContact O-N 3.17Å; Y676-W680 AromaticContact CD1-CH2 3.77Å; Y676-W680 HydrophobicContact CD1-CH2 3.77Å; Y676-W680 AromaticContact CD1-CZ2 3.77Å; Y676-W680 HydrophobicContact CD1-CZ2 3.77Å; Y676-W680 AromaticContact CE1-CH2 3.91Å; Y676-W680 HydrophobicContact CE1-CH2 3.91Å; Y676-W680 HydrophobicContact CE1-CZ2 4.17Å; Y676-W680 HydrophobicContact CG-CZ2 4.32Å
677N98.4Very high98.4Very high106 Ų10674 Ų7457%0.56736%0.36SS*.  trans-74.396.2151.6-175.2-24000108.2S679 W680N677-S679 PolarHBondContact O-N 3.46Å; N677-S679 PolarHBondContact OD1-N 3.45Å; N677-W680 PolarHBondContact O-N 3.06Å
678T98.2Very high98.4Very high45 Ų4573.1 Ų73.128%0.27635%0.353SS..THydrogen-bonded Turntrans-71.5-7.2-17157.40000114I645 Y676I645-T678 HydrophobicContact CB-CG2 4.47Å; I645-T678 HydrophobicContact CG1-CG2 3.69Å; Y676-T678 PolarHBondContact O-N 3.03Å; Y676-T678 VanDerWaalsContact O-N 3.17Å
679S97.9Very high98.5Very high76 Ų7674 Ų7453%0.53136%0.364SS..THydrogen-bonded Turntrans-84-11.8173.7-52.30000113.4N677 P681 F684N677-S679 PolarHBondContact O-N 3.46Å; N677-S679 PolarHBondContact OD1-N 3.45Å; S679-P681 VanDerWaalsContact C-N 3.29Å; S679-P681 VanDerWaalsContact O-N 3.11Å; S679-F684 WeakPolarHBondContact O-CD2 3.35Å
680W98.4Very high98.4Very high34 Ų3475.4 Ų75.413%0.12937%0.371CS..  trans42.548.6178.8-60.990.8000113.8P612 F640 S644 Y676 N677 W682 Q683 F684P612-W680 HydrophobicContact CG-CD2 4.4Å; P612-W680 HydrophobicContact CG-CE3 4.04Å; P612-W680 HydrophobicContact CG-CZ3 4.41Å; F640-W680 HydrophobicContact CD1-CZ2 4.26Å; F640-W680 PolarHBondContact O-NE1 3.45Å; S644-W680 PolarHBondContact OG-NE1 3.47Å; Y676-W680 AromaticContact CD1-CH2 3.77Å; Y676-W680 HydrophobicContact CD1-CH2 3.77Å; Y676-W680 AromaticContact CD1-CZ2 3.77Å; Y676-W680 HydrophobicContact CD1-CZ2 3.77Å; Y676-W680 AromaticContact CE1-CH2 3.91Å; Y676-W680 HydrophobicContact CE1-CH2 3.91Å; Y676-W680 HydrophobicContact CE1-CZ2 4.17Å; Y676-W680 HydrophobicContact CG-CZ2 4.32Å; N677-W680 PolarHBondContact O-N 3.06Å; W680-W682 VanDerWaalsContact C-N 3.32Å; W680-W682 PolarHBondContact O-N 3.37Å; W680-Q683 HydrophobicContact CB-CB 4.43Å; W680-Q683 HydrophobicContact CE3-CG 4.29Å; W680-Q683 PolarHBondContact O-N 2.88Å; W680-Q683 PolarHBondContact O-OE1 3.17Å; W680-F684 HydrophobicContact CB-CD1 3.69Å; W680-F684 HydrophobicContact CB-CD2 4.01Å; W680-F684 HydrophobicContact CB-CE1 3.58Å; W680-F684 HydrophobicContact CB-CE2 3.9Å; W680-F684 HydrophobicContact CB-CG 3.91Å; W680-F684 HydrophobicContact CB-CZ 3.69Å; W680-F684 AromaticContact CD1-CZ 3.7Å; W680-F684 AromaticContact CG-CE1 4Å; W680-F684 HydrophobicContact CG-CE1 4Å; W680-F684 HydrophobicContact CG-CE2 4.4Å; W680-F684 AromaticContact CG-CZ 3.9Å; W680-F684 HydrophobicContact CG-CZ 3.9Å; W680-F684 WeakPolarHBondContact O-CB 3.47Å; W680-F684 WeakPolarHBondContact O-CG 3.43Å; W680-F684 PolarHBondContact O-N 3.09Å
681P98.6Very high98.4Very high63 Ų6375.3 Ų75.341%0.40937%0.37SS..Hα-helixtrans-61.9-37.5-158.823-34.6000113.4S679 R685S679-P681 VanDerWaalsContact C-N 3.29Å; S679-P681 VanDerWaalsContact O-N 3.11Å; P681-R685 VanDerWaalsContact O-CB 3.28Å; P681-R685 WeakPolarHBondContact O-CB 3.46Å; P681-R685 PolarHBondContact O-N 3.01Å
682W98.7Very high98.4Very high176 Ų17673.2 Ų73.267%0.66736%0.359SS*.Hα-helixtrans-69.9-52.8178.1-176.4-84.3000111.2W680 F684 R685 C686W680-W682 VanDerWaalsContact C-N 3.32Å; W680-W682 PolarHBondContact O-N 3.37Å; W682-F684 VanDerWaalsContact C-N 3.33Å; W682-F684 PolarHBondContact O-N 3.11Å; W682-R685 PolarHBondContact O-N 3.32Å; W682-C686 PolarHBondContact O-N 3.02Å; W682-C686 PolarHBondContact O-SG 2.87Å; W682-C686 VanDerWaalsContact O-SG 3.37Å
683Q98.8Very high98.3Very high65 Ų6573.9 Ų73.930%0.30437%0.367SS..Hα-helixtrans-62.1-42.5-176.4-61.285.2-21.800111P612 W680 C686 I687P612-Q683 HydrophobicContact CB-CB 4.14Å; P612-Q683 HydrophobicContact CG-CB 4.06Å; P612-Q683 HydrophobicContact CG-CG 4.26Å; W680-Q683 HydrophobicContact CB-CB 4.43Å; W680-Q683 HydrophobicContact CE3-CG 4.29Å; W680-Q683 PolarHBondContact O-N 2.88Å; W680-Q683 PolarHBondContact O-OE1 3.17Å; Q683-C686 WeakPolarHBondContact O-CB 3.14Å; Q683-C686 PolarHBondContact O-N 3.41Å; Q683-I687 WeakPolarHBondContact O-CG1 3.49Å; Q683-I687 PolarHBondContact O-N 3.27Å; Q683-I687 VanDerWaalsContact O-N 3.13Å
684F98.8Very high98.1Very high24 Ų2473 Ų7311%0.10536%0.357CS..Hα-helixtrans-70.9-31.8179.2-71.92.1000112.4P612 K637 F640 S679 W680 W682 I687 E688P612-F684 HydrophobicContact CB-CD1 4.46Å; P612-F684 HydrophobicContact CB-CE1 4.15Å; K637-F684 HydrophobicContact CB-CD2 4.45Å; K637-F684 HydrophobicContact CB-CE1 4.22Å; K637-F684 HydrophobicContact CB-CE2 4.01Å; K637-F684 HydrophobicContact CB-CZ 3.89Å; K637-F684 HydrophobicContact CD-CD2 4.34Å; K637-F684 HydrophobicContact CD-CG 4.32Å; K637-F684 HydrophobicContact CG-CD1 3.77Å; K637-F684 HydrophobicContact CG-CD2 3.96Å; K637-F684 HydrophobicContact CG-CE1 3.79Å; K637-F684 HydrophobicContact CG-CE2 3.98Å; K637-F684 HydrophobicContact CG-CG 3.87Å; K637-F684 HydrophobicContact CG-CZ 3.9Å; K637-F684 WeakPolarHBondContact O-CZ 3.41Å; F640-F684 HydrophobicContact CB-CE1 4.33Å; F640-F684 HydrophobicContact CB-CZ 4.24Å; S679-F684 WeakPolarHBondContact O-CD2 3.35Å; W680-F684 HydrophobicContact CB-CD1 3.69Å; W680-F684 HydrophobicContact CB-CD2 4.01Å; W680-F684 HydrophobicContact CB-CE1 3.58Å; W680-F684 HydrophobicContact CB-CE2 3.9Å; W680-F684 HydrophobicContact CB-CG 3.91Å; W680-F684 HydrophobicContact CB-CZ 3.69Å; W680-F684 AromaticContact CD1-CZ 3.7Å; W680-F684 AromaticContact CG-CE1 4Å; W680-F684 HydrophobicContact CG-CE1 4Å; W680-F684 HydrophobicContact CG-CE2 4.4Å; W680-F684 AromaticContact CG-CZ 3.9Å; W680-F684 HydrophobicContact CG-CZ 3.9Å; W680-F684 WeakPolarHBondContact O-CB 3.47Å; W680-F684 WeakPolarHBondContact O-CG 3.43Å; W680-F684 PolarHBondContact O-N 3.09Å; W682-F684 VanDerWaalsContact C-N 3.33Å; W682-F684 PolarHBondContact O-N 3.11Å; F684-I687 HydrophobicContact CD1-CD1 4.21Å; F684-I687 PolarHBondContact O-N 3.41Å; F684-E688 WeakPolarHBondContact O-CG 2.94Å; F684-E688 PolarHBondContact O-N 3.15Å
685R98.8Very high97.9Very high142 Ų14271.1 Ų71.154%0.53635%0.351SS..Hα-helixtrans-66.2-39.8171-169.3-171.6-54158.22.5112.1P681 W682 I687 E688 N689P681-R685 VanDerWaalsContact O-CB 3.28Å; P681-R685 WeakPolarHBondContact O-CB 3.46Å; P681-R685 PolarHBondContact O-N 3.01Å; W682-R685 PolarHBondContact O-N 3.32Å; R685-I687 VanDerWaalsContact C-N 3.32Å; R685-I687 PolarHBondContact O-N 3.02Å; R685-E688 PolarHBondContact O-N 3.12Å; R685-N689 VanDerWaalsContact O-CG 3.29Å; R685-N689 PolarHBondContact O-N 3.01Å
686C98.8Very high97.6Very high41 Ų4173.8 Ų73.828%0.27735%0.35SS..Hα-helixtrans-60.8-42.2174.1-650000111.7Y613 W682 Q683 Q690Y613-C686 HydrophobicContact CD2-CB 3.75Å; Y613-C686 HydrophobicContact CE2-CB 4.08Å; Y613-C686 HydrophobicContact CG-CB 4.41Å; W682-C686 PolarHBondContact O-N 3.02Å; W682-C686 PolarHBondContact O-SG 2.87Å; W682-C686 VanDerWaalsContact O-SG 3.37Å; Q683-C686 WeakPolarHBondContact O-CB 3.14Å; Q683-C686 PolarHBondContact O-N 3.41Å; C686-Q690 PolarHBondContact O-N 3.06Å
687I98.7Very high96.7Very high0 Ų075.2 Ų75.20%037%0.372CS..Hα-helixtrans-60.1-49.1173.9-66.3171.9000110.2P612 Y613 F616 A633 V636 Q683 F684 R685 N689 Q690 V691P612-I687 HydrophobicContact CB-CD1 4.17Å; Y613-I687 HydrophobicContact CD2-CG1 4Å; F616-I687 HydrophobicContact CB-CD1 4.06Å; F616-I687 HydrophobicContact CB-CG1 4.04Å; F616-I687 HydrophobicContact CD1-CG1 4.18Å; F616-I687 HydrophobicContact CD1-CG2 4.13Å; F616-I687 HydrophobicContact CD2-CG2 3.89Å; F616-I687 HydrophobicContact CE1-CG2 4.35Å; F616-I687 HydrophobicContact CE2-CG2 4.13Å; F616-I687 HydrophobicContact CG-CG1 4.11Å; F616-I687 HydrophobicContact CG-CG2 3.9Å; F616-I687 HydrophobicContact CZ-CG2 4.35Å; A633-I687 HydrophobicContact CB-CG2 3.42Å; A633-I687 VanDerWaalsContact CB-CG2 3.42Å; V636-I687 HydrophobicContact CG1-CD1 4.3Å; Q683-I687 WeakPolarHBondContact O-CG1 3.49Å; Q683-I687 PolarHBondContact O-N 3.27Å; Q683-I687 VanDerWaalsContact O-N 3.13Å; F684-I687 HydrophobicContact CD1-CD1 4.21Å; F684-I687 PolarHBondContact O-N 3.41Å; R685-I687 VanDerWaalsContact C-N 3.32Å; R685-I687 PolarHBondContact O-N 3.02Å; I687-N689 PolarHBondContact O-N 3.48Å; I687-Q690 PolarHBondContact O-N 2.65Å; I687-Q690 VanDerWaalsContact O-N 3.12Å; I687-V691 HydrophobicContact CG2-CG2 4.22Å; I687-V691 WeakPolarHBondContact O-CG2 3.37Å; I687-V691 PolarHBondContact O-N 3.42Å
688E98.4Very high94.9Very high48 Ų4873.1 Ų73.122%0.22437%0.369CS..Hα-helixtrans-58.3-45.2179.6-76.9-57.812700113.3R630 K637 F684 R685 Q690 V691 L692R630-E688 IonicContact CZ-OE2 3.5Å; R630-E688 VanDerWaalsContact NH1-CD 3.32Å; R630-E688 IonicContact NH1-OE1 3.49Å; R630-E688 PolarHBondContact NH1-OE1 3.11Å; R630-E688 IonicContact NH1-OE2 3.22Å; R630-E688 PolarHBondContact NH1-OE2 3.25Å; K637-E688 VanDerWaalsContact NZ-CD 3.29Å; K637-E688 VanDerWaalsContact NZ-CG 3.32Å; K637-E688 IonicContact NZ-OE1 3.73Å; K637-E688 PolarHBondContact NZ-OE1 3.11Å; F684-E688 WeakPolarHBondContact O-CG 2.94Å; F684-E688 PolarHBondContact O-N 3.15Å; R685-E688 PolarHBondContact O-N 3.12Å; E688-Q690 VanDerWaalsContact C-N 3.25Å; E688-Q690 PolarHBondContact O-N 3.16Å; E688-V691 PolarHBondContact O-N 3.28Å; E688-L692 WeakPolarHBondContact O-CB 3.45Å; E688-L692 WeakPolarHBondContact O-CG 3.41Å; E688-L692 PolarHBondContact O-N 2.8Å
689N98.3Very high92.6Very high98 Ų9876.9 Ų76.952%0.52439%0.394SS..Hα-helixtrans-58.5-41.1176.9-70.3-13.3000111.5R685 I687 Q693R685-N689 VanDerWaalsContact O-CG 3.29Å; R685-N689 PolarHBondContact O-N 3.01Å; I687-N689 PolarHBondContact O-N 3.48Å; N689-Q693 WeakPolarHBondContact O-CB 3.32Å; N689-Q693 PolarHBondContact O-N 3.39Å
690Q98.1Very high90.1Very high48 Ų4881.9 Ų81.922%0.22441%0.409CS..Hα-helixtrans-70.1-39.9179.4-164.360.938.700112Y613 F616 C686 I687 E688 Q693 L694Y613-Q690 HydrophobicContact CE2-CB 4.22Å; Y613-Q690 PolarHBondContact OH-OE1 3.24Å; F616-Q690 HydrophobicContact CE1-CB 3.85Å; F616-Q690 HydrophobicContact CE1-CG 3.8Å; F616-Q690 HydrophobicContact CZ-CB 4.5Å; F616-Q690 HydrophobicContact CZ-CG 4.49Å; C686-Q690 PolarHBondContact O-N 3.06Å; I687-Q690 PolarHBondContact O-N 2.65Å; I687-Q690 VanDerWaalsContact O-N 3.12Å; E688-Q690 VanDerWaalsContact C-N 3.25Å; E688-Q690 PolarHBondContact O-N 3.16Å; Q690-Q693 PolarHBondContact O-N 2.98Å; Q690-L694 HydrophobicContact CG-CD1 4.3Å; Q690-L694 VanDerWaalsContact O-CG 3.29Å; Q690-L694 WeakPolarHBondContact O-CG 3.46Å; Q690-L694 PolarHBondContact O-N 3.41Å
691V98.1Very high87.3Confident0 Ų084.8 Ų84.80%044%0.435CS..Hα-helixtrans-61.7-48.7174.81760000110.4F616 P629 R630 A633 I687 E688 Q693 L694 E695F616-V691 HydrophobicContact CE2-CG2 3.82Å; F616-V691 HydrophobicContact CZ-CG2 3.62Å; P629-V691 HydrophobicContact CB-CG1 4.36Å; R630-V691 HydrophobicContact CB-CG1 4.27Å; A633-V691 HydrophobicContact CB-CG2 3.68Å; I687-V691 HydrophobicContact CG2-CG2 4.22Å; I687-V691 WeakPolarHBondContact O-CG2 3.37Å; I687-V691 PolarHBondContact O-N 3.42Å; E688-V691 PolarHBondContact O-N 3.28Å; V691-Q693 VanDerWaalsContact C-N 3.27Å; V691-Q693 PolarHBondContact O-N 2.91Å; V691-L694 PolarHBondContact O-N 2.87Å; V691-L694 VanDerWaalsContact O-N 3.13Å; V691-E695 HydrophobicContact CG1-CG 4.18Å; V691-E695 WeakPolarHBondContact CG1-OE1 3.5Å; V691-E695 WeakPolarHBondContact O-CB 3.37Å; V691-E695 WeakPolarHBondContact O-CG 3.04Å; V691-E695 PolarHBondContact O-N 2.95Å
692L97.5Very high84.7Confident68 Ų6889.6 Ų89.636%0.35646%0.456SS..Hα-helixtrans-60.5-36.2177.5-70.3173.4000112.4E688 R696E688-L692 WeakPolarHBondContact O-CB 3.45Å; E688-L692 WeakPolarHBondContact O-CG 3.41Å; E688-L692 PolarHBondContact O-N 2.8Å; L692-R696 WeakPolarHBondContact O-CD 3.43Å; L692-R696 WeakPolarHBondContact O-CG 3.37Å; L692-R696 PolarHBondContact O-N 2.7Å
693Q96.8Very high82.3Confident116 Ų11688.5 Ų88.554%0.54246%0.463SS..Hα-helixtrans-64.9-43.9175.2-172.3-176.432.100111.8N689 Q690 V691 R696 A697N689-Q693 WeakPolarHBondContact O-CB 3.32Å; N689-Q693 PolarHBondContact O-N 3.39Å; Q690-Q693 PolarHBondContact O-N 2.98Å; V691-Q693 VanDerWaalsContact C-N 3.27Å; V691-Q693 PolarHBondContact O-N 2.91Å; Q693-R696 PolarHBondContact O-N 3.15Å; Q693-A697 PolarHBondContact O-N 3.15Å
694L94.4Very high79.9Confident57 Ų5788.5 Ų88.530%0.29848%0.481SS..Hα-helixtrans-71.3-38.7-179.2-68.6166.1000112.3L620 P629 Q690 V691 R696 A697 A698L620-L694 HydrophobicContact CD1-CD1 4.34Å; L620-L694 HydrophobicContact CD2-CD1 3.41Å; L620-L694 VanDerWaalsContact CD2-CD1 3.41Å; P629-L694 HydrophobicContact CB-CB 4.4Å; P629-L694 HydrophobicContact CB-CD1 4.08Å; P629-L694 HydrophobicContact CG-CB 4.14Å; P629-L694 HydrophobicContact CG-CD1 4.24Å; Q690-L694 HydrophobicContact CG-CD1 4.3Å; Q690-L694 VanDerWaalsContact O-CG 3.29Å; Q690-L694 WeakPolarHBondContact O-CG 3.46Å; Q690-L694 PolarHBondContact O-N 3.41Å; V691-L694 PolarHBondContact O-N 2.87Å; V691-L694 VanDerWaalsContact O-N 3.13Å; L694-R696 PolarHBondContact O-N 3.16Å; L694-A697 PolarHBondContact O-N 2.97Å; L694-A698 PolarHBondContact O-N 3.27Å
695E93.8Very high77.1Confident85 Ų8593.7 Ų93.740%0.39751%0.514SS..Hα-helixtrans-63.7-30.9175.5-73.6173.4170.600111.9R630 V691 A697R630-E695 IonicContact CZ-OE1 3.36Å; R630-E695 IonicContact CZ-OE2 2.74Å; R630-E695 IonicContact NE-OE1 2.93Å; R630-E695 PolarHBondContact NE-OE1 3.48Å; R630-E695 IonicContact NE-OE2 2.81Å; R630-E695 VanDerWaalsContact NH2-CD 3.34Å; R630-E695 IonicContact NH2-OE1 3.57Å; R630-E695 PolarHBondContact NH2-OE1 3.44Å; R630-E695 IonicContact NH2-OE2 2.71Å; R630-E695 PolarHBondContact NH2-OE2 2.89Å; V691-E695 HydrophobicContact CG1-CG 4.18Å; V691-E695 WeakPolarHBondContact CG1-OE1 3.5Å; V691-E695 WeakPolarHBondContact O-CB 3.37Å; V691-E695 WeakPolarHBondContact O-CG 3.04Å; V691-E695 PolarHBondContact O-N 2.95Å; E695-A697 VanDerWaalsContact C-N 3.33Å
696R92.8Very high74.3Confident210 Ų21098 Ų9879%0.79255%0.548SS*.Hα-helixtrans-74.2-21.1172.8-71.3169.6-173.5-173.42.1114L692 Q693 L694L692-R696 WeakPolarHBondContact O-CD 3.43Å; L692-R696 WeakPolarHBondContact O-CG 3.37Å; L692-R696 PolarHBondContact O-N 2.7Å; Q693-R696 PolarHBondContact O-N 3.15Å; L694-R696 PolarHBondContact O-N 3.16Å
697A78Confident73.1Confident78 Ų78100.9 Ų100.965%0.64556%0.562SS**Hα-helixtrans-95.2-11.6-176.400000113.4Q693 L694 E695Q693-A697 PolarHBondContact O-N 3.15Å; L694-A697 PolarHBondContact O-N 2.97Å; E695-A697 VanDerWaalsContact C-N 3.33Å
698A61.6Low71.7Confident62 Ų62106.2 Ų106.251%0.51259%0.591SS.*SBendtrans-70.3125.9170.200000109.1L694 Q700L694-A698 PolarHBondContact O-N 3.27Å; A698-Q700 PolarHBondContact O-N 3.39Å
699P49.5Very low70.2Confident124 Ų124109.4 Ų109.481%0.80561%0.612SS**PPolyproline II helixtrans-60.3128.4177.2-1526.6000109.3S701P699-S701 PolarHBondContact O-N 2.85Å; P699-S701 VanDerWaalsContact O-N 3.17Å
700Q44.8Very low68.6Low180 Ų180110.1 Ų110.184%0.84162%0.617SS**PPolyproline II helixtrans-54120.7152.9-75.1175.1-21.300106.1A698 L702A698-Q700 PolarHBondContact O-N 3.39Å; Q700-L702 PolarHBondContact O-N 2.88Å
701S40.9Very low66.7Low96 Ų96114 Ų11467%0.67164%0.641SS**  trans-51.4113.7160.847.40000106.6P699 D703P699-S701 PolarHBondContact O-N 2.85Å; P699-S701 VanDerWaalsContact O-N 3.17Å; S701-D703 PolarHBondContact O-N 3.47Å
702L43.9Very low64.6Low164 Ų164121.6 Ų121.686%0.85968%0.684SS**  trans-66.973.8168.2-81.8156.8000107.6Q700Q700-L702 PolarHBondContact O-N 2.88Å
703D48.8Very low62.3Low153 Ų153125.4 Ų125.482%0.81871%0.707SS**  trans-88.1103.2154.5-80.7-26.8000106.3S701S701-D703 PolarHBondContact O-N 3.47Å
704G46.8Very low59.6Low65 Ų65126.2 Ų126.267%0.6772%0.72SS**  trans131.482.516700000114.2
705V41.4Very low56.8Low132 Ų132131.9 Ų131.980%0.876%0.755SS**  trans-140.7107.6137.2-172.30000107.7
706D38.9Very low53.4Low234 Ų234136.2 Ų136.2100%1.25179%0.788SS**  trans43.70162.1-67.1-19.8000122

Retrieved 706 of 706 residues in 164.1 ms (Link to these results)

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