A0A077Z9G1_TRITR Loading...

His Phos 1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z9G1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 276 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
1M49.1Very low80.8Confident243 Ų24389.8 Ų89.8100%1.19749%0.485SS*.  0132.10-74179.1-137.200108.3
2S57.8Low82.1Confident64 Ų6482.7 Ų82.745%0.44845%0.446SS..PPolyproline II helixtrans-64134.2169.448.10000109.2L4S2-L4 PolarHBondContact O-N 3.41Å
3A75.1Confident83.3Confident91 Ų9176.3 Ų76.375%0.75241%0.412SS*.PPolyproline II helixtrans-53.7135.6174.800000110.2
4L87.4Confident84.3Confident104 Ų10471 Ų7155%0.54538%0.383SS..PPolyproline II helixtrans-62.8151.2175.4-63.5177.6000109.9S2 K89S2-L4 PolarHBondContact O-N 3.41Å; L4-K89 HydrophobicContact CD1-CD 4.08Å; L4-K89 HydrophobicContact CD2-CB 4.26Å; L4-K89 HydrophobicContact CD2-CD 3.93Å; L4-K89 HydrophobicContact CD2-CG 3.93Å
5Y89Confident85.2Confident30 Ų3066.3 Ų66.312%0.11836%0.357CS..PPolyproline II helixtrans-70135.5173.8-163.2-116.4000109.4E7 R12 L88 V90 I253 K254 P256Y5-E7 PolarHBondContact O-N 3Å; Y5-R12 VanDerWaalsContact CD1-NH1 3.32Å; Y5-L88 PolarHBondContact N-O 3.41Å; Y5-V90 HydrophobicContact CD1-CB 4.4Å; Y5-V90 HydrophobicContact CD1-CG1 4.11Å; Y5-V90 HydrophobicContact CD1-CG2 3.87Å; Y5-V90 HydrophobicContact CE1-CG1 4.43Å; Y5-V90 HydrophobicContact CG-CG2 3.9Å; Y5-I253 WeakPolarHBondContact OH-CD1 3.28Å; Y5-K254 WeakPolarHBondContact CE2-O 3.4Å; Y5-K254 PolarHBondContact OH-O 3.37Å; Y5-P256 HydrophobicContact CD1-CB 4.2Å; Y5-P256 HydrophobicContact CD2-CB 3.68Å; Y5-P256 HydrophobicContact CE1-CB 4.16Å; Y5-P256 HydrophobicContact CE2-CB 3.66Å; Y5-P256 HydrophobicContact CG-CB 3.96Å
6P86.9Confident86Confident86 Ų8662.1 Ų62.156%0.55834%0.335SS*.PPolyproline II helixtrans-58140.7-176.5-25.334.3000112.2R12P6-R12 VanDerWaalsContact O-CZ 3.29Å; P6-R12 PolarHBondContact O-NH1 3.48Å; P6-R12 PolarHBondContact O-NH2 2.99Å
7E84.2Confident86.7Confident162 Ų16260.6 Ų60.676%0.75732%0.323SS*.PPolyproline II helixtrans-57.8143.1172-166.3-175.4166.400110.5Y5 K9 R12Y5-E7 PolarHBondContact O-N 3Å; E7-K9 PolarHBondContact O-N 2.8Å; E7-R12 PolarHBondContact O-NH2 2.93Å
8A83.1Confident87.4Confident7 Ų757.4 Ų57.46%0.05831%0.306CS..PPolyproline II helixtrans-68.8121.2179.600000110.5G10 R12A8-G10 VanDerWaalsContact C-N 3.31Å; A8-G10 WeakPolarHBondContact CB-O 3.42Å; A8-R12 HydrophobicContact CB-CB 4.26Å
9K86.3Confident88Confident148 Ų14854.4 Ų54.464%0.64329%0.29SS*.SBendtrans-80.7-16.1177.6-63.4179.1-1781750112.9E7 E243E7-K9 PolarHBondContact O-N 2.8Å; K9-E243 WeakPolarHBondContact CB-OE1 3.38Å; K9-E243 PolarHBondContact N-OE1 3.32Å
10G93.2Very high88.5Confident9 Ų953.1 Ų53.19%0.09328%0.282CS..SBendtrans-151.8-156.4176.100000109.5A8 E244A8-G10 VanDerWaalsContact C-N 3.31Å; A8-G10 WeakPolarHBondContact CB-O 3.42Å; G10-E244 WeakPolarHBondContact CA-O 3.46Å
11R96.5Very high88.9Confident44 Ų4452.5 Ų52.517%0.16628%0.276CS..  trans-65.8143.9170.8-72.8177.7-681761.9110.5V192 M195 F196 S199 E243 E244 W250R11-V192 PolarHBondContact NH1-O 3.49Å; R11-M195 HydrophobicContact CB-CE 3.91Å; R11-M195 HydrophobicContact CG-CB 4.41Å; R11-M195 HydrophobicContact CG-CE 4.32Å; R11-F196 WeakPolarHBondContact CG-O 3.46Å; R11-S199 CarbonylContact C-O 3.54Å; R11-S199 VanDerWaalsContact CA-O 3.3Å; R11-S199 WeakPolarHBondContact CA-O 3.4Å; R11-E243 WeakPolarHBondContact O-CA 3.36Å; R11-E244 HydrophobicContact CB-CB 4.15Å; R11-E244 IonicContact CZ-OE1 3.58Å; R11-E244 IonicContact CZ-OE2 2.75Å; R11-E244 IonicContact NE-OE1 2.68Å; R11-E244 IonicContact NE-OE2 2.66Å; R11-E244 PolarHBondContact NE-OE2 3.48Å; R11-E244 VanDerWaalsContact NH2-CD 3.31Å; R11-E244 IonicContact NH2-OE1 3.44Å; R11-E244 PolarHBondContact NH2-OE1 3.26Å; R11-E244 IonicContact NH2-OE2 3.48Å; R11-E244 PolarHBondContact NH2-OE2 2.95Å; R11-E244 WeakPolarHBondContact O-CB 3.34Å; R11-E244 PolarHBondContact O-N 2.93Å; R11-W250 HydrophobicContact CB-CH2 3.53Å; R11-W250 HydrophobicContact CB-CZ2 3.92Å; R11-W250 HydrophobicContact CB-CZ3 4.44Å; R11-W250 WeakPolarHBondContact O-CZ3 3.47Å
12R96.8Very high91.3Very high4 Ų440.9 Ų40.92%0.01522%0.219CC..EExtended strand (participates in β ladder)trans-129.6137.8179.1-179.3-178.5-70.1169.1-8.1110.6Y5 P6 E7 A8 I14 M195 S199 S200 A201 Y242 E243 I253Y5-R12 VanDerWaalsContact CD1-NH1 3.32Å; P6-R12 VanDerWaalsContact O-CZ 3.29Å; P6-R12 PolarHBondContact O-NH1 3.48Å; P6-R12 PolarHBondContact O-NH2 2.99Å; E7-R12 PolarHBondContact O-NH2 2.93Å; A8-R12 HydrophobicContact CB-CB 4.26Å; R12-I14 HydrophobicContact CG-CG1 4.42Å; R12-M195 WeakPolarHBondContact O-CE 3.5Å; R12-S199 PolarHBondContact N-O 2.75Å; R12-S200 CarbonylContact O-C 3.58Å; R12-S200 VanDerWaalsContact O-CA 3.26Å; R12-S200 WeakPolarHBondContact O-CA 3.2Å; R12-A201 PolarHBondContact O-N 3.44Å; R12-Y242 CarbonylContact C-O 3.58Å; R12-Y242 WeakPolarHBondContact CA-O 3.34Å; R12-Y242 WeakPolarHBondContact CG-O 3.43Å; R12-E243 IonicContact CZ-OE2 3.26Å; R12-E243 VanDerWaalsContact CZ-OE2 3.26Å; R12-E243 IonicContact NE-OE2 3.05Å; R12-E243 PolarHBondContact NE-OE2 2.86Å; R12-E243 IonicContact NH2-OE2 2.69Å; R12-E243 PolarHBondContact NH2-OE2 3.37Å; R12-I253 HydrophobicContact CG-CD1 4.4Å
13V97.4Very high93.2Very high0 Ų039.6 Ų39.60%021%0.207CC..EExtended strand (participates in β ladder)trans-122.1128.6175.1174.70000108.6I15 M195 A201 I203 F213 A241 Y242 W250V13-I15 HydrophobicContact CG1-CD1 4.37Å; V13-I15 HydrophobicContact CG1-CG1 3.86Å; V13-M195 HydrophobicContact CG2-CE 3.87Å; V13-M195 HydrophobicContact CG2-SD 3.64Å; V13-A201 WeakPolarHBondContact CA-O 3.46Å; V13-I203 HydrophobicContact CG1-CD1 3.56Å; V13-I203 HydrophobicContact CG1-CG1 4.16Å; V13-F213 HydrophobicContact CB-CD2 4.37Å; V13-F213 HydrophobicContact CB-CE2 3.82Å; V13-F213 HydrophobicContact CB-CZ 4.07Å; V13-F213 HydrophobicContact CG1-CD2 4.01Å; V13-F213 HydrophobicContact CG1-CE2 3.87Å; V13-F213 HydrophobicContact CG2-CE2 3.67Å; V13-F213 HydrophobicContact CG2-CZ 3.91Å; V13-A241 CarbonylContact O-C 3.48Å; V13-A241 VanDerWaalsContact O-CA 3.28Å; V13-A241 WeakPolarHBondContact O-CA 3.45Å; V13-Y242 PolarHBondContact N-O 3.26Å; V13-Y242 PolarHBondContact O-N 2.98Å; V13-W250 HydrophobicContact CB-CZ3 4.43Å; V13-W250 HydrophobicContact CG2-CH2 3.91Å; V13-W250 HydrophobicContact CG2-CZ3 3.99Å
14I97.5Very high94.2Very high2 Ų239.3 Ų39.31%0.0119%0.19CC..EExtended strand (participates in β ladder)trans-117.2122.5173-59.6166.1000106.6R12 V90 A201 L202 I203 M239 V240 A241 P256R12-I14 HydrophobicContact CG-CG1 4.42Å; I14-V90 HydrophobicContact CD1-CG1 3.76Å; I14-A201 PolarHBondContact N-O 3.06Å; I14-L202 HydrophobicContact CB-CD1 4.23Å; I14-L202 HydrophobicContact CG2-CD1 3.98Å; I14-L202 CarbonylContact O-C 3.6Å; I14-L202 WeakPolarHBondContact O-CA 3.18Å; I14-I203 PolarHBondContact O-N 2.9Å; I14-M239 HydrophobicContact CG2-CB 4.43Å; I14-M239 HydrophobicContact CG2-CG 4.35Å; I14-M239 HydrophobicContact CG2-SD 3.54Å; I14-M239 VanDerWaalsContact CG2-SD 3.54Å; I14-V240 WeakPolarHBondContact CA-O 3.3Å; I14-A241 HydrophobicContact CG1-CB 4.2Å; I14-P256 HydrophobicContact CD1-CG 4.17Å
15I98Very high94.6Very high0 Ų037 Ų370%018%0.18CC..EExtended strand (participates in β ladder)trans-109127.5179-48180000107.7V13 M188 I203 T205 F210 F213 M239 V240 Y242V13-I15 HydrophobicContact CG1-CD1 4.37Å; V13-I15 HydrophobicContact CG1-CG1 3.86Å; I15-M188 HydrophobicContact CD1-CE 4.32Å; I15-M188 HydrophobicContact CD1-SD 4.44Å; I15-I203 CarbonylContact C-O 3.56Å; I15-I203 WeakPolarHBondContact CA-O 3.19Å; I15-I203 HydrophobicContact CG1-CB 4.35Å; I15-I203 HydrophobicContact CG1-CD1 4.47Å; I15-I203 HydrophobicContact CG2-CB 4.44Å; I15-I203 HydrophobicContact CG2-CG2 4.48Å; I15-T205 HydrophobicContact CG2-CG2 3.52Å; I15-F210 HydrophobicContact CG2-CD1 4.22Å; I15-F210 HydrophobicContact CG2-CE1 4Å; I15-F210 HydrophobicContact CG2-CZ 4.5Å; I15-F213 HydrophobicContact CD1-CB 3.85Å; I15-F213 HydrophobicContact CD1-CD2 4.41Å; I15-F213 HydrophobicContact CD1-CG 4.45Å; I15-M239 CarbonylContact O-C 3.54Å; I15-M239 WeakPolarHBondContact O-CA 3.48Å; I15-V240 HydrophobicContact CB-CG2 3.77Å; I15-V240 HydrophobicContact CD1-CG2 4.23Å; I15-V240 HydrophobicContact CG1-CG2 4.22Å; I15-V240 PolarHBondContact N-O 2.9Å; I15-V240 PolarHBondContact O-N 3.49Å; I15-Y242 HydrophobicContact CD1-CE2 4.42Å
16M98.3Very high94.9Very high0 Ų036.6 Ų36.60%018%0.18CC..EExtended strand (participates in β ladder)trans-123.6137-176.7-169.8-167.5-59.200110.6L85 T106 V110 L202 I203 V204 T205 L237 F238 M239M16-L85 HydrophobicContact CE-CD1 4.22Å; M16-T106 HydrophobicContact SD-CG2 4.26Å; M16-V110 HydrophobicContact CE-CG1 4.34Å; M16-V110 HydrophobicContact CE-CG2 4.01Å; M16-V110 HydrophobicContact SD-CG2 3.98Å; M16-L202 HydrophobicContact CB-CD1 4.12Å; M16-L202 HydrophobicContact CE-CD1 3.88Å; M16-L202 HydrophobicContact CE-CD2 4.32Å; M16-I203 PolarHBondContact N-O 2.64Å; M16-V204 WeakPolarHBondContact O-CA 3.46Å; M16-T205 PolarHBondContact O-N 3.38Å; M16-L237 HydrophobicContact SD-CD2 3.91Å; M16-F238 WeakPolarHBondContact CA-O 3.24Å; M16-M239 HydrophobicContact CB-CG 4.06Å; M16-M239 HydrophobicContact CE-CE 3.17Å; M16-M239 HydrophobicContact CE-CG 4.49Å; M16-M239 HydrophobicContact CE-SD 3.99Å; M16-M239 HydrophobicContact CG-CE 4.29Å; M16-M239 HydrophobicContact CG-CG 3.91Å; M16-M239 HydrophobicContact SD-CE 4.21Å
17R98.1Very high95.4Very high37 Ų3737.9 Ų37.914%0.1419%0.188CC..EExtended strand (participates in β ladder)trans-75.2145.7170-170.3-176.7-179.2-154.8-9.6109.5E24 T205 F210 T234 P235 L237 F238R17-E24 IonicContact NH2-OE1 3.3Å; R17-T205 CarbonylContact C-O 3.52Å; R17-T205 WeakPolarHBondContact CA-O 3.37Å; R17-F210 HydrophobicContact CB-CE1 4.13Å; R17-F210 HydrophobicContact CB-CZ 3.99Å; R17-T234 PolarHBondContact NH1-O 3.21Å; R17-P235 VanDerWaalsContact CD-O 3.31Å; R17-P235 WeakPolarHBondContact CD-O 3.49Å; R17-L237 WeakPolarHBondContact O-CA 3.18Å; R17-L237 PolarHBondContact O-N 3.15Å; R17-F238 PolarHBondContact N-O 2.87Å
18H98.6Very high95.9Very high2 Ų236.1 Ų36.11%0.00918%0.18CC..  trans-52.1158.1168.466.375000113.3R21 R102 T106 T205 H206 H236 L237H18-R21 WeakPolarHBondContact CE1-CD 3.36Å; H18-R102 HydrophobicContact CB-CB 4.2Å; H18-R102 HydrophobicContact CB-CG 4.11Å; H18-T106 WeakPolarHBondContact CA-OG1 3.25Å; H18-T205 PolarHBondContact N-O 3.24Å; H18-H206 AromaticContact CD2-ND1 3.48Å; H18-H206 PolarHBondContact CD2-ND1 3.22Å; H18-H206 AromaticContact NE2-ND1 3.89Å; H18-H236 AromaticContact CE1-ND1 3.92Å; H18-H236 AromaticContact ND1-ND1 3.97Å; H18-H236 WeakPolarHBondContact O-CA 3.4Å; H18-H236 PolarHBondContact O-ND1 3.16Å; H18-L237 PolarHBondContact O-N 3.28Å
19G98.1Very high96.6Very high0 Ų035.9 Ų35.90%018%0.178CC..  trans-68.9-177.4173.400000114.3R21 L70 T106 H236G19-R21 PolarHBondContact O-N 3.22Å; G19-L70 WeakPolarHBondContact O-CD2 3.28Å; G19-T106 PolarHBondContact N-OG1 2.95Å; G19-H236 PolarHBondContact O-ND1 3.27Å
20E98Very high97.2Very high29 Ų2929 Ų2914%0.13615%0.148CC..  trans-55.5127.3176.3-176.9-173.3-89.900111.2V25 N45 L70 S71E20-V25 HydrophobicContact CG-CG2 3.86Å; E20-V25 VanDerWaalsContact OE2-CG2 3.25Å; E20-V25 WeakPolarHBondContact OE2-CG2 3.27Å; E20-N45 PolarHBondContact OE2-ND2 2.9Å; E20-L70 VanDerWaalsContact O-CA 3.3Å; E20-L70 WeakPolarHBondContact O-CA 3.21Å; E20-L70 WeakPolarHBondContact O-CD2 3.49Å; E20-S71 PolarHBondContact O-N 3.35Å; E20-S71 WeakPolarHBondContact OE2-CB 3.4Å; E20-S71 PolarHBondContact OE2-OG 3.33Å
21R98.1Very high97.4Very high40 Ų4033.8 Ų33.815%0.15117%0.168CC..BIsolated β-bridgetrans-88147.2179.9-56.4162.247.2161.9-3.9110.9H18 G19 D23 E24 V25 G69 R102H18-R21 WeakPolarHBondContact CE1-CD 3.36Å; G19-R21 PolarHBondContact O-N 3.22Å; R21-D23 VanDerWaalsContact C-N 3.29Å; R21-D23 WeakPolarHBondContact CB-OD1 3.31Å; R21-D23 IonicContact CZ-OD1 3.64Å; R21-D23 IonicContact CZ-OD2 3.68Å; R21-D23 IonicContact NE-OD1 3.68Å; R21-D23 PolarHBondContact NE-OD1 3.31Å; R21-D23 IonicContact NE-OD2 2.68Å; R21-D23 IonicContact NH2-OD1 3.38Å; R21-D23 PolarHBondContact NH2-OD1 2.97Å; R21-D23 IonicContact NH2-OD2 3.47Å; R21-D23 PolarHBondContact NH2-OD2 2.88Å; R21-D23 PolarHBondContact O-N 3.44Å; R21-E24 HydrophobicContact CB-CB 4.38Å; R21-E24 HydrophobicContact CB-CG 4.06Å; R21-E24 VanDerWaalsContact CB-OE2 3.27Å; R21-E24 WeakPolarHBondContact CB-OE2 3.4Å; R21-E24 WeakPolarHBondContact CG-OE2 3.11Å; R21-E24 PolarHBondContact N-OE2 2.69Å; R21-E24 PolarHBondContact O-N 2.85Å; R21-V25 PolarHBondContact O-N 3.17Å; R21-G69 WeakPolarHBondContact CA-O 3.5Å; R21-R102 VanDerWaalsContact CD-CD 3.47Å; R21-R102 HydrophobicContact CG-CB 4.28Å
22V98.1Very high97.4Very high0 Ų035 Ų350%018%0.175CC..Hα-helixtrans-65-32.7179.663.60000113.1V25 D26 W29 M46 P47 P68 G69V22-V25 PolarHBondContact O-N 3.22Å; V22-D26 PolarHBondContact O-N 3.26Å; V22-W29 HydrophobicContact CB-CD2 4.32Å; V22-W29 HydrophobicContact CG1-CD2 3.8Å; V22-W29 HydrophobicContact CG1-CE3 4.4Å; V22-W29 HydrophobicContact CG1-CG 4.22Å; V22-W29 HydrophobicContact CG1-CH2 4.23Å; V22-W29 HydrophobicContact CG1-CZ2 3.6Å; V22-W29 HydrophobicContact CG2-CB 4.06Å; V22-W29 HydrophobicContact CG2-CD2 3.53Å; V22-W29 HydrophobicContact CG2-CE3 3.78Å; V22-W29 HydrophobicContact CG2-CG 3.65Å; V22-W29 HydrophobicContact CG2-CZ3 4.44Å; V22-M46 HydrophobicContact CG2-CE 4.23Å; V22-M46 HydrophobicContact CG2-SD 3.43Å; V22-M46 WeakPolarHBondContact CG2-SD 3.26Å; V22-P47 HydrophobicContact CB-CG 4.45Å; V22-P47 HydrophobicContact CG2-CG 4.25Å; V22-P68 HydrophobicContact CG1-CB 3.98Å; V22-G69 PolarHBondContact N-O 2.81Å
23D97.9Very high97.4Very high36 Ų3634.9 Ų34.919%0.19317%0.174CC..Hα-helixtrans-77-24.718066.6-49.3000113.4R21 V25 D26 P27 P68R21-D23 VanDerWaalsContact C-N 3.29Å; R21-D23 WeakPolarHBondContact CB-OD1 3.31Å; R21-D23 IonicContact CZ-OD1 3.64Å; R21-D23 IonicContact CZ-OD2 3.68Å; R21-D23 IonicContact NE-OD1 3.68Å; R21-D23 PolarHBondContact NE-OD1 3.31Å; R21-D23 IonicContact NE-OD2 2.68Å; R21-D23 IonicContact NH2-OD1 3.38Å; R21-D23 PolarHBondContact NH2-OD1 2.97Å; R21-D23 IonicContact NH2-OD2 3.47Å; R21-D23 PolarHBondContact NH2-OD2 2.88Å; R21-D23 PolarHBondContact O-N 3.44Å; D23-V25 VanDerWaalsContact C-N 3.3Å; D23-D26 CarbonylContact O-C 3.42Å; D23-P27 WeakPolarHBondContact O-CA 3.32Å; D23-P27 WeakPolarHBondContact O-CD 2.95Å; D23-P68 HydrophobicContact CB-CB 3.97Å; D23-P68 HydrophobicContact CB-CG 4.15Å; D23-P68 VanDerWaalsContact CG-CG 3.4Å; D23-P68 WeakPolarHBondContact OD1-CB 3.41Å; D23-P68 WeakPolarHBondContact OD1-CG 3.28Å
24E96Very high97.4Very high86 Ų8635 Ų3540%0.40217%0.174SC..Hα-helixtrans-69.1-31.8169.5-70167.7153.700111R17 R21 H236R17-E24 IonicContact NH2-OE1 3.3Å; R21-E24 HydrophobicContact CB-CB 4.38Å; R21-E24 HydrophobicContact CB-CG 4.06Å; R21-E24 VanDerWaalsContact CB-OE2 3.27Å; R21-E24 WeakPolarHBondContact CB-OE2 3.4Å; R21-E24 WeakPolarHBondContact CG-OE2 3.11Å; R21-E24 PolarHBondContact N-OE2 2.69Å; R21-E24 PolarHBondContact O-N 2.85Å; E24-H236 IonicContact OE1-CE1 3.53Å; E24-H236 IonicContact OE2-CE1 3.44Å; E24-H236 PolarHBondContact OE2-CE1 2.87Å; E24-H236 IonicContact OE2-NE2 2.72Å; E24-H236 PolarHBondContact OE2-NE2 3.33Å; E24-H236 VanDerWaalsContact OE2-NE2 3.13Å
25V95.9Very high97.2Very high55 Ų5543.3 Ų43.333%0.33321%0.211SC..Hα-helixtrans-76.5-45.5176.8177.80000111.7E20 R21 V22 D23 N45 M46E20-V25 HydrophobicContact CG-CG2 3.86Å; E20-V25 VanDerWaalsContact OE2-CG2 3.25Å; E20-V25 WeakPolarHBondContact OE2-CG2 3.27Å; R21-V25 PolarHBondContact O-N 3.17Å; V22-V25 PolarHBondContact O-N 3.22Å; D23-V25 VanDerWaalsContact C-N 3.3Å; V25-N45 HydrophobicContact CG1-CB 4.45Å; V25-N45 WeakPolarHBondContact CG2-ND2 3.31Å; V25-M46 HydrophobicContact CB-CE 4.43Å; V25-M46 HydrophobicContact CG1-CE 3.92Å
26D96.1Very high97Very high21 Ų2147.1 Ų47.111%0.11223%0.234CC..  trans-146.9105.7175.5-167.7-31000110.1V22 D23 Q28 W29 K32 Y42 M46V22-D26 PolarHBondContact O-N 3.26Å; D23-D26 CarbonylContact O-C 3.42Å; D26-Q28 PolarHBondContact O-N 3.34Å; D26-Q28 PolarHBondContact OD1-N 2.69Å; D26-W29 HydrophobicContact CB-CB 4.23Å; D26-W29 VanDerWaalsContact O-CB 3.25Å; D26-W29 WeakPolarHBondContact O-CB 3.36Å; D26-W29 PolarHBondContact O-N 3.19Å; D26-K32 IonicContact OD1-NZ 3.5Å; D26-K32 PolarHBondContact OD1-NZ 2.98Å; D26-K32 WeakPolarHBondContact OD2-CD 3.42Å; D26-K32 IonicContact OD2-NZ 2.93Å; D26-K32 PolarHBondContact OD2-NZ 2.99Å; D26-Y42 WeakPolarHBondContact CB-OH 3.49Å; D26-Y42 PolarHBondContact OD2-OH 3.25Å; D26-Y42 VanDerWaalsContact OD2-OH 3.07Å; D26-M46 HydrophobicContact CB-CE 3.8Å
27P96.6Very high96.8Very high113 Ų11348.7 Ų48.773%0.73425%0.25SS*.THydrogen-bonded Turntrans-60.1-18.1179.7-27.535.3000114.4D23D23-P27 WeakPolarHBondContact O-CA 3.32Å; D23-P27 WeakPolarHBondContact O-CD 2.95Å
28Q96.6Very high96.6Very high126 Ų12653 Ų5359%0.58927%0.27SS*.THydrogen-bonded Turntrans-101.315.2178.1-59.9179.5-35.800112.5D26 V30 E31 K32D26-Q28 PolarHBondContact O-N 3.34Å; D26-Q28 PolarHBondContact OD1-N 2.69Å; Q28-V30 VanDerWaalsContact C-N 3.25Å; Q28-V30 PolarHBondContact O-N 3.05Å; Q28-E31 PolarHBondContact O-N 3.45Å; Q28-K32 HydrophobicContact CB-CD 4.13Å; Q28-K32 HydrophobicContact CB-CG 4.47Å; Q28-K32 WeakPolarHBondContact O-CG 3.4Å; Q28-K32 PolarHBondContact O-N 2.81Å; Q28-K32 VanDerWaalsContact OE1-CE 3.32Å
29W97.5Very high96.5Very high2 Ų255 Ų551%0.00828%0.278CS..Hα-helixtrans-57.9-38-172.279.6-80.5000112.9V22 D26 K32 S33 Y39 Y42 M46 P47 A50 W64V22-W29 HydrophobicContact CB-CD2 4.32Å; V22-W29 HydrophobicContact CG1-CD2 3.8Å; V22-W29 HydrophobicContact CG1-CE3 4.4Å; V22-W29 HydrophobicContact CG1-CG 4.22Å; V22-W29 HydrophobicContact CG1-CH2 4.23Å; V22-W29 HydrophobicContact CG1-CZ2 3.6Å; V22-W29 HydrophobicContact CG2-CB 4.06Å; V22-W29 HydrophobicContact CG2-CD2 3.53Å; V22-W29 HydrophobicContact CG2-CE3 3.78Å; V22-W29 HydrophobicContact CG2-CG 3.65Å; V22-W29 HydrophobicContact CG2-CZ3 4.44Å; D26-W29 HydrophobicContact CB-CB 4.23Å; D26-W29 VanDerWaalsContact O-CB 3.25Å; D26-W29 WeakPolarHBondContact O-CB 3.36Å; D26-W29 PolarHBondContact O-N 3.19Å; W29-K32 PolarHBondContact O-N 2.9Å; W29-S33 WeakPolarHBondContact O-CB 3.46Å; W29-S33 PolarHBondContact O-N 3.36Å; W29-S33 PolarHBondContact O-OG 2.84Å; W29-Y39 HydrophobicContact CZ3-CE2 4.11Å; W29-Y42 WeakPolarHBondContact CA-OH 3.29Å; W29-M46 HydrophobicContact CB-CE 4.33Å; W29-M46 HydrophobicContact CB-SD 3.6Å; W29-M46 HydrophobicContact CE3-SD 4.4Å; W29-M46 HydrophobicContact CG-SD 4.39Å; W29-P47 HydrophobicContact CZ3-CG 4.37Å; W29-A50 HydrophobicContact CH2-CB 4.29Å; W29-A50 HydrophobicContact CZ3-CB 4.22Å; W29-W64 HydrophobicContact CH2-CB 4.17Å; W29-W64 AromaticContact CH2-CD2 3.76Å; W29-W64 HydrophobicContact CH2-CD2 3.76Å; W29-W64 AromaticContact CH2-CE3 3.48Å; W29-W64 HydrophobicContact CH2-CE3 3.48Å; W29-W64 VanDerWaalsContact CH2-CE3 3.48Å; W29-W64 HydrophobicContact CH2-CG 4.06Å; W29-W64 HydrophobicContact CH2-CZ3 4.08Å; W29-W64 HydrophobicContact CZ2-CB 3.89Å; W29-W64 HydrophobicContact CZ2-CD2 4.11Å; W29-W64 AromaticContact CZ2-CE3 3.65Å; W29-W64 HydrophobicContact CZ2-CE3 3.65Å; W29-W64 HydrophobicContact CZ2-CG 4.23Å; W29-W64 HydrophobicContact CZ2-CZ3 4.47Å
30V97.7Very high96.4Very high3 Ų358.7 Ų58.72%0.01830%0.295CS..Hα-helixtrans-60.5-52.6179.6178.60000110.6Q28 K32 S33 F34 K61 W64 C65Q28-V30 VanDerWaalsContact C-N 3.25Å; Q28-V30 PolarHBondContact O-N 3.05Å; V30-K32 VanDerWaalsContact C-N 3.32Å; V30-K32 PolarHBondContact O-N 3.3Å; V30-S33 PolarHBondContact O-N 3.41Å; V30-F34 HydrophobicContact CG1-CD2 4.13Å; V30-F34 WeakPolarHBondContact O-CB 3.45Å; V30-F34 WeakPolarHBondContact O-CD2 3.48Å; V30-F34 PolarHBondContact O-N 2.97Å; V30-K61 HydrophobicContact CG1-CB 3.64Å; V30-K61 HydrophobicContact CG1-CD 4.32Å; V30-K61 HydrophobicContact CG1-CG 3.62Å; V30-W64 HydrophobicContact CG2-CB 3.83Å; V30-C65 VanDerWaalsContact CG2-SG 3.6Å
31E97.1Very high96.4Very high109 Ų10961.6 Ų61.651%0.50931%0.305SS..Hα-helixtrans-64.1-38.4-179.9-69.1-52142.600112.5Q28 K35 K61Q28-E31 PolarHBondContact O-N 3.45Å; E31-K35 PolarHBondContact O-N 2.75Å; E31-K61 IonicContact OE1-NZ 3.61Å; E31-K61 IonicContact OE2-NZ 2.75Å; E31-K61 PolarHBondContact OE2-NZ 3.5Å
32K96.8Very high96.2Very high71 Ų7163.3 Ų63.331%0.30931%0.312SS..Hα-helixtrans-68.3-39.5177.6-70.8168.7-179.61610112.1D26 Q28 W29 V30 Y42D26-K32 IonicContact OD1-NZ 3.5Å; D26-K32 PolarHBondContact OD1-NZ 2.98Å; D26-K32 WeakPolarHBondContact OD2-CD 3.42Å; D26-K32 IonicContact OD2-NZ 2.93Å; D26-K32 PolarHBondContact OD2-NZ 2.99Å; Q28-K32 HydrophobicContact CB-CD 4.13Å; Q28-K32 HydrophobicContact CB-CG 4.47Å; Q28-K32 WeakPolarHBondContact O-CG 3.4Å; Q28-K32 PolarHBondContact O-N 2.81Å; Q28-K32 VanDerWaalsContact OE1-CE 3.32Å; W29-K32 PolarHBondContact O-N 2.9Å; V30-K32 VanDerWaalsContact C-N 3.32Å; V30-K32 PolarHBondContact O-N 3.3Å; K32-Y42 HydrophobicContact CB-CD1 3.75Å; K32-Y42 HydrophobicContact CB-CE1 3.39Å; K32-Y42 HydrophobicContact CB-CE2 4.28Å; K32-Y42 HydrophobicContact CB-CG 4.36Å; K32-Y42 HydrophobicContact CD-CE1 4.42Å; K32-Y42 HydrophobicContact CD-CE2 4.04Å
33S97.5Very high96.1Very high0 Ų065.9 Ų65.90%033%0.325CS..Hα-helixtrans-79.8-23.8-177.6-83.50000113.9W29 V30 K38 Y39 E40 Y42W29-S33 WeakPolarHBondContact O-CB 3.46Å; W29-S33 PolarHBondContact O-N 3.36Å; W29-S33 PolarHBondContact O-OG 2.84Å; V30-S33 PolarHBondContact O-N 3.41Å; S33-K38 VanDerWaalsContact O-O 3.11Å; S33-Y39 CarbonylContact O-C 3.53Å; S33-Y39 WeakPolarHBondContact O-CA 3.32Å; S33-Y39 WeakPolarHBondContact OG-CE2 3.44Å; S33-E40 WeakPolarHBondContact CA-O 3.2Å; S33-E40 PolarHBondContact O-N 3.03Å; S33-E40 PolarHBondContact OG-O 2.68Å; S33-Y42 WeakPolarHBondContact OG-CD1 3.45Å; S33-Y42 VanDerWaalsContact OG-CE1 3.26Å; S33-Y42 WeakPolarHBondContact OG-CE1 3.46Å
34F96.6Very high96Very high2 Ų270.7 Ų70.71%0.00935%0.35CS..THydrogen-bonded Turntrans-111.324-178.5-71.9-86.4000112.9V30 T36 G37 Y39 A50 F52 L57 K61V30-F34 HydrophobicContact CG1-CD2 4.13Å; V30-F34 WeakPolarHBondContact O-CB 3.45Å; V30-F34 WeakPolarHBondContact O-CD2 3.48Å; V30-F34 PolarHBondContact O-N 2.97Å; F34-T36 VanDerWaalsContact C-N 3.26Å; F34-T36 PolarHBondContact O-N 3.09Å; F34-G37 PolarHBondContact O-N 2.87Å; F34-G37 VanDerWaalsContact O-N 3.1Å; F34-Y39 HydrophobicContact CD2-CD2 4.49Å; F34-Y39 HydrophobicContact CE1-CD2 4.41Å; F34-Y39 AromaticContact CE2-CD2 3.92Å; F34-Y39 HydrophobicContact CE2-CD2 3.92Å; F34-Y39 AromaticContact CZ-CD2 3.88Å; F34-Y39 HydrophobicContact CZ-CD2 3.88Å; F34-Y39 HydrophobicContact CZ-CG 4.36Å; F34-A50 HydrophobicContact CE2-CB 4.25Å; F34-A50 HydrophobicContact CZ-CB 3.91Å; F34-A50 WeakPolarHBondContact CZ-O 3.28Å; F34-F52 HydrophobicContact CE1-CE2 4.17Å; F34-L57 HydrophobicContact CB-CD1 4.21Å; F34-L57 HydrophobicContact CD1-CD1 3.72Å; F34-L57 HydrophobicContact CE1-CD1 4.43Å; F34-L57 HydrophobicContact CG-CD1 4.21Å; F34-K61 VanDerWaalsContact CB-CE 3.46Å; F34-K61 HydrophobicContact CB-CG 4.44Å
35K93.9Very high96Very high178 Ų17867.7 Ų67.777%0.77434%0.337SS*.THydrogen-bonded Turntrans-58.8-34.4-176-173.8179.7177.2-175.10113.5E31E31-K35 PolarHBondContact O-N 2.75Å
36T94Very high96.1Very high80 Ų8065.1 Ų65.149%0.49132%0.322SS..THydrogen-bonded Turntrans-94.38.5-178.760.40000113.2F34 K38 E40F34-T36 VanDerWaalsContact C-N 3.26Å; F34-T36 PolarHBondContact O-N 3.09Å; T36-K38 VanDerWaalsContact C-N 3.27Å; T36-K38 PolarHBondContact O-N 3.49Å; T36-K38 WeakPolarHBondContact OG1-CG 3.28Å; T36-E40 WeakPolarHBondContact CB-OE1 3.43Å; T36-E40 VanDerWaalsContact CG2-OE1 3.27Å; T36-E40 WeakPolarHBondContact CG2-OE1 3.48Å; T36-E40 WeakPolarHBondContact CG2-OE2 3.5Å; T36-E40 PolarHBondContact OG1-OE1 2.75Å
37G93.5Very high96.1Very high33 Ų3364.3 Ų64.334%0.3432%0.317SS..SBendtrans85-7-175.400000114.7F34 F52F34-G37 PolarHBondContact O-N 2.87Å; F34-G37 VanDerWaalsContact O-N 3.1Å; G37-F52 WeakPolarHBondContact O-CZ 3.48Å
38K94.2Very high96Very high128 Ų12865 Ų6556%0.55731%0.314SS*.SBendtrans-127.9161.1173.161.9-179.5179.7-177.90110.2S33 T36 E40S33-K38 VanDerWaalsContact O-O 3.11Å; T36-K38 VanDerWaalsContact C-N 3.27Å; T36-K38 PolarHBondContact O-N 3.49Å; T36-K38 WeakPolarHBondContact OG1-CG 3.28Å; K38-E40 WeakPolarHBondContact CE-OE1 3.35Å; K38-E40 HydrophobicContact CG-CG 4.44Å; K38-E40 PolarHBondContact O-N 2.98Å
39Y96.9Very high95.9Very high44 Ų4463.6 Ų63.617%0.17331%0.314CS..  trans-66.6124.2177.2-178.8-110.1000111.5W29 S33 F34 R41 P47 A50W29-Y39 HydrophobicContact CZ3-CE2 4.11Å; S33-Y39 CarbonylContact O-C 3.53Å; S33-Y39 WeakPolarHBondContact O-CA 3.32Å; S33-Y39 WeakPolarHBondContact OG-CE2 3.44Å; F34-Y39 HydrophobicContact CD2-CD2 4.49Å; F34-Y39 HydrophobicContact CE1-CD2 4.41Å; F34-Y39 AromaticContact CE2-CD2 3.92Å; F34-Y39 HydrophobicContact CE2-CD2 3.92Å; F34-Y39 AromaticContact CZ-CD2 3.88Å; F34-Y39 HydrophobicContact CZ-CD2 3.88Å; F34-Y39 HydrophobicContact CZ-CG 4.36Å; Y39-R41 HydrophobicContact CE1-CB 4.22Å; Y39-P47 PolarHBondContact OH-O 3.47Å; Y39-A50 HydrophobicContact CD1-CB 4.33Å; Y39-A50 HydrophobicContact CD2-CB 3.48Å; Y39-A50 VanDerWaalsContact CD2-CB 3.48Å; Y39-A50 HydrophobicContact CE1-CB 4.46Å; Y39-A50 HydrophobicContact CE2-CB 3.65Å; Y39-A50 HydrophobicContact CG-CB 3.85Å
40E96.6Very high95.8Very high76 Ų7663.7 Ų63.736%0.35532%0.316SS..  trans-128.6122.4174.6-69.2-178-176.800109.9S33 T36 K38 Y42S33-E40 WeakPolarHBondContact CA-O 3.2Å; S33-E40 PolarHBondContact O-N 3.03Å; S33-E40 PolarHBondContact OG-O 2.68Å; T36-E40 WeakPolarHBondContact CB-OE1 3.43Å; T36-E40 VanDerWaalsContact CG2-OE1 3.27Å; T36-E40 WeakPolarHBondContact CG2-OE1 3.48Å; T36-E40 WeakPolarHBondContact CG2-OE2 3.5Å; T36-E40 PolarHBondContact OG1-OE1 2.75Å; K38-E40 WeakPolarHBondContact CE-OE1 3.35Å; K38-E40 HydrophobicContact CG-CG 4.44Å; K38-E40 PolarHBondContact O-N 2.98Å; E40-Y42 PolarHBondContact O-N 2.71Å; E40-Y42 VanDerWaalsContact O-N 3.14Å
41R96.1Very high95.6Very high91 Ų9167.5 Ų67.534%0.34334%0.34SS..  trans-81.294.4179.5-169.5-177179.8-1680.3109.8Y39 N43 L44 M46 P47 T72Y39-R41 HydrophobicContact CE1-CB 4.22Å; R41-N43 WeakPolarHBondContact CG-O 3.47Å; R41-L44 PolarHBondContact NH2-O 2.84Å; R41-M46 HydrophobicContact CG-CB 4.01Å; R41-M46 PolarHBondContact NE-O 3.49Å; R41-P47 WeakPolarHBondContact CD-O 3.37Å; R41-T72 PolarHBondContact NH2-OG1 2.96Å
42Y94.7Very high95.4Very high76 Ų7667 Ų6730%0.29834%0.336SS..  trans-84.1-14.6-17768.9-91000114.4D26 W29 K32 S33 E40 M46D26-Y42 WeakPolarHBondContact CB-OH 3.49Å; D26-Y42 PolarHBondContact OD2-OH 3.25Å; D26-Y42 VanDerWaalsContact OD2-OH 3.07Å; W29-Y42 WeakPolarHBondContact CA-OH 3.29Å; K32-Y42 HydrophobicContact CB-CD1 3.75Å; K32-Y42 HydrophobicContact CB-CE1 3.39Å; K32-Y42 HydrophobicContact CB-CE2 4.28Å; K32-Y42 HydrophobicContact CB-CG 4.36Å; K32-Y42 HydrophobicContact CD-CE1 4.42Å; K32-Y42 HydrophobicContact CD-CE2 4.04Å; S33-Y42 WeakPolarHBondContact OG-CD1 3.45Å; S33-Y42 VanDerWaalsContact OG-CE1 3.26Å; S33-Y42 WeakPolarHBondContact OG-CE1 3.46Å; E40-Y42 PolarHBondContact O-N 2.71Å; E40-Y42 VanDerWaalsContact O-N 3.14Å; Y42-M46 HydrophobicContact CD1-CG 4.24Å; Y42-M46 HydrophobicContact CE1-CG 3.72Å; Y42-M46 HydrophobicContact CE1-SD 3.96Å; Y42-M46 HydrophobicContact CE2-CE 4.48Å; Y42-M46 HydrophobicContact CE2-CG 4.34Å; Y42-M46 VanDerWaalsContact OH-CE 3.29Å; Y42-M46 WeakPolarHBondContact OH-CE 3.3Å; Y42-M46 PolarHBondContact OH-SD 3.28Å; Y42-M46 VanDerWaalsContact OH-SD 3.35Å
43N95.2Very high95.3Very high53 Ų5365.2 Ų65.228%0.28333%0.328SS..SBendtrans-139.6140175.9-178.5-48.4000108.2R41 N45 M46R41-N43 WeakPolarHBondContact CG-O 3.47Å; N43-N45 PolarHBondContact O-N 3.33Å; N43-N45 VanDerWaalsContact O-N 3.17Å; N43-N45 PolarHBondContact OD1-N 2.91Å; N43-M46 HydrophobicContact CB-CG 4.02Å; N43-M46 VanDerWaalsContact O-CB 3.27Å; N43-M46 WeakPolarHBondContact O-CB 3.2Å; N43-M46 PolarHBondContact O-N 3.48Å
44L96.1Very high95.1Very high138 Ų13866.1 Ų66.172%0.72334%0.335SS*.THydrogen-bonded Turntrans-63.7-18-179.4-65.4-179.8000113.4R41 M46 T72R41-L44 PolarHBondContact NH2-O 2.84Å; L44-M46 VanDerWaalsContact C-N 3.32Å; L44-T72 VanDerWaalsContact O-CB 3.29Å; L44-T72 WeakPolarHBondContact O-CB 3.31Å; L44-T72 PolarHBondContact O-OG1 3.37Å; L44-T72 VanDerWaalsContact O-OG1 3.07Å
45N97.3Very high94.9Very high23 Ų2375.6 Ų75.612%0.12338%0.379CS..THydrogen-bonded Turntrans-81.7-9.9171.4-154.921.3000113.5E20 V25 N43 S71 T72 I73E20-N45 PolarHBondContact OE2-ND2 2.9Å; V25-N45 HydrophobicContact CG1-CB 4.45Å; V25-N45 WeakPolarHBondContact CG2-ND2 3.31Å; N43-N45 PolarHBondContact O-N 3.33Å; N43-N45 VanDerWaalsContact O-N 3.17Å; N43-N45 PolarHBondContact OD1-N 2.91Å; N45-S71 CarbonylContact O-C 3.53Å; N45-S71 WeakPolarHBondContact O-CA 3.17Å; N45-S71 VanDerWaalsContact O-CB 3.3Å; N45-S71 WeakPolarHBondContact O-CB 3.5Å; N45-S71 WeakPolarHBondContact OD1-CB 3.31Å; N45-S71 PolarHBondContact OD1-OG 2.92Å; N45-T72 PolarHBondContact O-N 2.87Å; N45-T72 PolarHBondContact OD1-N 3.27Å; N45-I73 WeakPolarHBondContact OD1-CB 3.31Å; N45-I73 WeakPolarHBondContact OD1-CG1 3.36Å; N45-I73 PolarHBondContact OD1-N 2.92Å
46M97.7Very high95Very high1 Ų170.3 Ų70.31%0.00536%0.36CS..SBendtrans-71.7153171.4-59.6-63.513000110.3V22 V25 D26 W29 R41 Y42 N43 L44 T72V22-M46 HydrophobicContact CG2-CE 4.23Å; V22-M46 HydrophobicContact CG2-SD 3.43Å; V22-M46 WeakPolarHBondContact CG2-SD 3.26Å; V25-M46 HydrophobicContact CB-CE 4.43Å; V25-M46 HydrophobicContact CG1-CE 3.92Å; D26-M46 HydrophobicContact CB-CE 3.8Å; W29-M46 HydrophobicContact CB-CE 4.33Å; W29-M46 HydrophobicContact CB-SD 3.6Å; W29-M46 HydrophobicContact CE3-SD 4.4Å; W29-M46 HydrophobicContact CG-SD 4.39Å; R41-M46 HydrophobicContact CG-CB 4.01Å; R41-M46 PolarHBondContact NE-O 3.49Å; Y42-M46 HydrophobicContact CD1-CG 4.24Å; Y42-M46 HydrophobicContact CE1-CG 3.72Å; Y42-M46 HydrophobicContact CE1-SD 3.96Å; Y42-M46 HydrophobicContact CE2-CE 4.48Å; Y42-M46 HydrophobicContact CE2-CG 4.34Å; Y42-M46 VanDerWaalsContact OH-CE 3.29Å; Y42-M46 WeakPolarHBondContact OH-CE 3.3Å; Y42-M46 PolarHBondContact OH-SD 3.28Å; Y42-M46 VanDerWaalsContact OH-SD 3.35Å; N43-M46 HydrophobicContact CB-CG 4.02Å; N43-M46 VanDerWaalsContact O-CB 3.27Å; N43-M46 WeakPolarHBondContact O-CB 3.2Å; N43-M46 PolarHBondContact O-N 3.48Å; L44-M46 VanDerWaalsContact C-N 3.32Å; M46-T72 PolarHBondContact O-OG1 3.03Å
47P96.1Very high95Very high3 Ų368.7 Ų68.72%0.01935%0.348CS..  trans-49.5153.6179.3-26.631.2000113.3V22 W29 Y39 R41 T49 L70V22-P47 HydrophobicContact CB-CG 4.45Å; V22-P47 HydrophobicContact CG2-CG 4.25Å; W29-P47 HydrophobicContact CZ3-CG 4.37Å; Y39-P47 PolarHBondContact OH-O 3.47Å; R41-P47 WeakPolarHBondContact CD-O 3.37Å; P47-T49 VanDerWaalsContact C-N 3.28Å; P47-T49 WeakPolarHBondContact CB-O 3.18Å; P47-T49 PolarHBondContact O-N 3.03Å; P47-L70 WeakPolarHBondContact CG-O 3.32Å
48L94.9Very high95.2Very high127 Ų12771.6 Ų71.667%0.66536%0.359SS*.SBendtrans-66-37.2172.6-176.362.4000111.2
49T94.2Very high95.3Very high98 Ų9868.9 Ų68.960%0.60135%0.351SS*.  trans-137.8147.617958.40000110.3P47P47-T49 VanDerWaalsContact C-N 3.28Å; P47-T49 WeakPolarHBondContact CB-O 3.18Å; P47-T49 PolarHBondContact O-N 3.03Å
50A95Very high95.2Very high4 Ų466.8 Ų66.83%0.03334%0.343CS..  trans-138.687.8165.800000107.6W29 F34 Y39 W64W29-A50 HydrophobicContact CH2-CB 4.29Å; W29-A50 HydrophobicContact CZ3-CB 4.22Å; F34-A50 HydrophobicContact CE2-CB 4.25Å; F34-A50 HydrophobicContact CZ-CB 3.91Å; F34-A50 WeakPolarHBondContact CZ-O 3.28Å; Y39-A50 HydrophobicContact CD1-CB 4.33Å; Y39-A50 HydrophobicContact CD2-CB 3.48Å; Y39-A50 VanDerWaalsContact CD2-CB 3.48Å; Y39-A50 HydrophobicContact CE1-CB 4.46Å; Y39-A50 HydrophobicContact CE2-CB 3.65Å; Y39-A50 HydrophobicContact CG-CB 3.85Å; A50-W64 HydrophobicContact CB-CD2 4.5Å; A50-W64 HydrophobicContact CB-CH2 4.24Å; A50-W64 HydrophobicContact CB-CZ2 3.79Å
51P93.4Very high95.3Very high83 Ų8365 Ų6554%0.53933%0.334SS..  trans-64.5162.7-179.627.4-35.9000111.5R53 W64P51-R53 PolarHBondContact O-N 3.29Å; P51-W64 PolarHBondContact O-NE1 2.96Å
52F93.8Very high95.3Very high97 Ų9765.6 Ų65.643%0.42534%0.343SS..  trans-65.2133.4171.2-83.2-132.2000109.1F34 G37 L57 S60F34-F52 HydrophobicContact CE1-CE2 4.17Å; G37-F52 WeakPolarHBondContact O-CZ 3.48Å; F52-L57 HydrophobicContact CE1-CB 3.99Å; F52-L57 HydrophobicContact CE1-CD1 4.18Å; F52-L57 HydrophobicContact CE2-CD1 4.28Å; F52-L57 HydrophobicContact CZ-CB 4.22Å; F52-L57 HydrophobicContact CZ-CD1 3.71Å; F52-S60 WeakPolarHBondContact CA-OG 3.45Å
53R93.1Very high95.4Very high35 Ų3562.6 Ų62.613%0.13233%0.332CS..SBendtrans-103.8-6.1176.3-65.1-177.1179.6-172.24.6112.8P51 S60 D63 W64 D67 M101 R144 V146P51-R53 PolarHBondContact O-N 3.29Å; R53-S60 PolarHBondContact N-OG 3.09Å; R53-D63 HydrophobicContact CB-CB 4.03Å; R53-D63 WeakPolarHBondContact CB-OD2 3.39Å; R53-D63 PolarHBondContact NH1-O 3.23Å; R53-W64 HydrophobicContact CG-CZ2 4.39Å; R53-W64 VanDerWaalsContact NE-CE2 3.29Å; R53-D67 PolarHBondContact NH1-O 3.02Å; R53-D67 IonicContact NH1-OD2 3.59Å; R53-D67 PolarHBondContact NH2-O 3.42Å; R53-M101 VanDerWaalsContact NH2-CG 3.29Å; R53-R144 PolarHBondContact O-NH2 2.99Å; R53-V146 HydrophobicContact CG-CG2 4.41Å
54A93.7Very high95.5Very high18 Ų1860.3 Ų60.315%0.14932%0.319CS..SBendtrans-138.3166.1178.100000109.5N56 D59A54-N56 PolarHBondContact O-N 3.34Å; A54-D59 HydrophobicContact CB-CB 3.52Å
55E92.6Very high95.5Very high201 Ų20157.1 Ų57.194%0.93931%0.308SS*.SBendtrans-63.1-33.6177.6-62.9-177172.800112.3
56N95.2Very high95.5Very high68 Ų6858.7 Ų58.736%0.36432%0.321SS..SBendtrans-113.8155.9179.572.781000112.1A54 T58 D59 S60A54-N56 PolarHBondContact O-N 3.34Å; N56-T58 PolarHBondContact O-N 2.88Å; N56-T58 WeakPolarHBondContact OD1-CB 3.19Å; N56-T58 PolarHBondContact OD1-N 2.8Å; N56-T58 VanDerWaalsContact OD1-N 3.13Å; N56-D59 PolarHBondContact ND2-OD2 2.9Å; N56-D59 PolarHBondContact OD1-N 2.94Å; N56-S60 WeakPolarHBondContact O-CB 3.5Å; N56-S60 PolarHBondContact O-N 3.39Å; N56-S60 VanDerWaalsContact O-N 3.13Å
57L95.4Very high95.4Very high46 Ų4658.7 Ų58.724%0.24132%0.321CS..Hα-helixtrans-63-39.3-177.1176.564000112.7F34 F52 S60 K61F34-L57 HydrophobicContact CB-CD1 4.21Å; F34-L57 HydrophobicContact CD1-CD1 3.72Å; F34-L57 HydrophobicContact CE1-CD1 4.43Å; F34-L57 HydrophobicContact CG-CD1 4.21Å; F52-L57 HydrophobicContact CE1-CB 3.99Å; F52-L57 HydrophobicContact CE1-CD1 4.18Å; F52-L57 HydrophobicContact CE2-CD1 4.28Å; F52-L57 HydrophobicContact CZ-CB 4.22Å; F52-L57 HydrophobicContact CZ-CD1 3.71Å; L57-S60 PolarHBondContact O-N 2.84Å; L57-K61 HydrophobicContact CD1-CG 4.14Å; L57-K61 HydrophobicContact CG-CD 4.33Å; L57-K61 HydrophobicContact CG-CG 4.36Å; L57-K61 WeakPolarHBondContact O-CG 3.25Å; L57-K61 PolarHBondContact O-N 2.88Å
58T96.4Very high95.5Very high93 Ų9358.6 Ų58.657%0.57132%0.32SS*.Hα-helixtrans-62.4-51.3-175.7-57.70000110.9N56 S60 K61 L62N56-T58 PolarHBondContact O-N 2.88Å; N56-T58 WeakPolarHBondContact OD1-CB 3.19Å; N56-T58 PolarHBondContact OD1-N 2.8Å; N56-T58 VanDerWaalsContact OD1-N 3.13Å; T58-S60 VanDerWaalsContact C-N 3.31Å; T58-S60 PolarHBondContact O-N 3.34Å; T58-K61 WeakPolarHBondContact O-CB 3.45Å; T58-K61 PolarHBondContact O-N 3.46Å; T58-K61 VanDerWaalsContact O-N 3.16Å; T58-L62 WeakPolarHBondContact O-CG 3.48Å; T58-L62 PolarHBondContact O-N 2.78Å
59D96.5Very high95.7Very high72 Ų7252.5 Ų52.539%0.38529%0.288SS..Hα-helixtrans-65.3-39.2178.2-67.1-16000110.9A54 N56 K61 L62 D63A54-D59 HydrophobicContact CB-CB 3.52Å; N56-D59 PolarHBondContact ND2-OD2 2.9Å; N56-D59 PolarHBondContact OD1-N 2.94Å; D59-K61 VanDerWaalsContact C-N 3.28Å; D59-K61 PolarHBondContact O-N 3.17Å; D59-L62 WeakPolarHBondContact O-CB 3.17Å; D59-L62 PolarHBondContact O-N 3.35Å; D59-L62 VanDerWaalsContact O-N 3.12Å; D59-D63 PolarHBondContact O-N 2.72Å
60S96.1Very high95.9Very high0 Ų047.9 Ų47.90%026%0.26CS..Hα-helixtrans-62.3-35.9175.4-172.30000112.4F52 R53 N56 L57 T58 W64F52-S60 WeakPolarHBondContact CA-OG 3.45Å; R53-S60 PolarHBondContact N-OG 3.09Å; N56-S60 WeakPolarHBondContact O-CB 3.5Å; N56-S60 PolarHBondContact O-N 3.39Å; N56-S60 VanDerWaalsContact O-N 3.13Å; L57-S60 PolarHBondContact O-N 2.84Å; T58-S60 VanDerWaalsContact C-N 3.31Å; T58-S60 PolarHBondContact O-N 3.34Å; S60-W64 PolarHBondContact O-N 3.08Å; S60-W64 VanDerWaalsContact O-N 3.15Å
61K97Very high96Very high38 Ų3847.7 Ų47.717%0.16526%0.258CS..Hα-helixtrans-65.5-43.7173.7-75.9-179.6167.9-167.90110.8V30 E31 F34 L57 T58 D59 D63 W64 C65V30-K61 HydrophobicContact CG1-CB 3.64Å; V30-K61 HydrophobicContact CG1-CD 4.32Å; V30-K61 HydrophobicContact CG1-CG 3.62Å; E31-K61 IonicContact OE1-NZ 3.61Å; E31-K61 IonicContact OE2-NZ 2.75Å; E31-K61 PolarHBondContact OE2-NZ 3.5Å; F34-K61 VanDerWaalsContact CB-CE 3.46Å; F34-K61 HydrophobicContact CB-CG 4.44Å; L57-K61 HydrophobicContact CD1-CG 4.14Å; L57-K61 HydrophobicContact CG-CD 4.33Å; L57-K61 HydrophobicContact CG-CG 4.36Å; L57-K61 WeakPolarHBondContact O-CG 3.25Å; L57-K61 PolarHBondContact O-N 2.88Å; T58-K61 WeakPolarHBondContact O-CB 3.45Å; T58-K61 PolarHBondContact O-N 3.46Å; T58-K61 VanDerWaalsContact O-N 3.16Å; D59-K61 VanDerWaalsContact C-N 3.28Å; D59-K61 PolarHBondContact O-N 3.17Å; K61-D63 VanDerWaalsContact C-N 3.34Å; K61-D63 PolarHBondContact O-N 2.85Å; K61-W64 PolarHBondContact O-N 2.87Å; K61-C65 PolarHBondContact O-N 3.3Å; K61-C65 PolarHBondContact O-SG 3.31Å; K61-C65 VanDerWaalsContact O-SG 3.34Å
62L96.8Very high96.2Very high104 Ų10444.7 Ų44.755%0.54524%0.239SC..Hα-helixtrans-60.7-41.5176.8-68.7172.6000112.1T58 D59 W64 C65 S66T58-L62 WeakPolarHBondContact O-CG 3.48Å; T58-L62 PolarHBondContact O-N 2.78Å; D59-L62 WeakPolarHBondContact O-CB 3.17Å; D59-L62 PolarHBondContact O-N 3.35Å; D59-L62 VanDerWaalsContact O-N 3.12Å; L62-W64 PolarHBondContact O-N 3.32Å; L62-C65 PolarHBondContact O-N 2.93Å; L62-S66 WeakPolarHBondContact O-CB 3.32Å; L62-S66 PolarHBondContact O-N 2.86Å; L62-S66 PolarHBondContact O-OG 3.39Å
63D96.9Very high96.4Very high12 Ų1243 Ų436%0.06423%0.233CC..Hα-helixtrans-63.4-40.9175.3-62.9-40.3000111.9R53 D59 K61 S66 D67 R144R53-D63 HydrophobicContact CB-CB 4.03Å; R53-D63 WeakPolarHBondContact CB-OD2 3.39Å; R53-D63 PolarHBondContact NH1-O 3.23Å; D59-D63 PolarHBondContact O-N 2.72Å; K61-D63 VanDerWaalsContact C-N 3.34Å; K61-D63 PolarHBondContact O-N 2.85Å; D63-S66 PolarHBondContact O-N 2.9Å; D63-S66 PolarHBondContact O-OG 2.74Å; D63-D67 PolarHBondContact O-N 3.07Å; D63-R144 IonicContact OD1-CZ 2.76Å; D63-R144 IonicContact OD1-NE 3.14Å; D63-R144 PolarHBondContact OD1-NE 3.44Å; D63-R144 VanDerWaalsContact OD1-NE 3.14Å; D63-R144 IonicContact OD1-NH2 3.97Å; D63-R144 IonicContact OD2-CZ 2.89Å; D63-R144 IonicContact OD2-NE 3.71Å; D63-R144 IonicContact OD2-NH2 2.93Å; D63-R144 PolarHBondContact OD2-NH2 3.36Å
64W97.4Very high96.6Very high5 Ų541.3 Ų41.32%0.01923%0.227CC..Hα-helixtrans-70.5-30.9177.2-82116.7000113.2W29 V30 A50 P51 R53 S60 K61 L62 P68 M101W29-W64 HydrophobicContact CH2-CB 4.17Å; W29-W64 AromaticContact CH2-CD2 3.76Å; W29-W64 HydrophobicContact CH2-CD2 3.76Å; W29-W64 AromaticContact CH2-CE3 3.48Å; W29-W64 HydrophobicContact CH2-CE3 3.48Å; W29-W64 VanDerWaalsContact CH2-CE3 3.48Å; W29-W64 HydrophobicContact CH2-CG 4.06Å; W29-W64 HydrophobicContact CH2-CZ3 4.08Å; W29-W64 HydrophobicContact CZ2-CB 3.89Å; W29-W64 HydrophobicContact CZ2-CD2 4.11Å; W29-W64 AromaticContact CZ2-CE3 3.65Å; W29-W64 HydrophobicContact CZ2-CE3 3.65Å; W29-W64 HydrophobicContact CZ2-CG 4.23Å; W29-W64 HydrophobicContact CZ2-CZ3 4.47Å; V30-W64 HydrophobicContact CG2-CB 3.83Å; A50-W64 HydrophobicContact CB-CD2 4.5Å; A50-W64 HydrophobicContact CB-CH2 4.24Å; A50-W64 HydrophobicContact CB-CZ2 3.79Å; P51-W64 PolarHBondContact O-NE1 2.96Å; R53-W64 HydrophobicContact CG-CZ2 4.39Å; R53-W64 VanDerWaalsContact NE-CE2 3.29Å; S60-W64 PolarHBondContact O-N 3.08Å; S60-W64 VanDerWaalsContact O-N 3.15Å; K61-W64 PolarHBondContact O-N 2.87Å; L62-W64 PolarHBondContact O-N 3.32Å; W64-P68 WeakPolarHBondContact O-CA 3.44Å; W64-M101 HydrophobicContact CZ3-CG 4.45Å
65C96.7Very high96.8Very high72 Ų7241.8 Ų41.849%0.48623%0.226SC..Hα-helixtrans-70.6-40.7173.1-73.60000112.1V30 K61 L62V30-C65 VanDerWaalsContact CG2-SG 3.6Å; K61-C65 PolarHBondContact O-N 3.3Å; K61-C65 PolarHBondContact O-SG 3.31Å; K61-C65 VanDerWaalsContact O-SG 3.34Å; L62-C65 PolarHBondContact O-N 2.93Å
66S95.7Very high97Very high55 Ų5540.5 Ų40.539%0.38521%0.213SC..Hα-helixtrans-82.5-31.5-177.257.30000113.7L62 D63 P143L62-S66 WeakPolarHBondContact O-CB 3.32Å; L62-S66 PolarHBondContact O-N 2.86Å; L62-S66 PolarHBondContact O-OG 3.39Å; D63-S66 PolarHBondContact O-N 2.9Å; D63-S66 PolarHBondContact O-OG 2.74Å; S66-P143 VanDerWaalsContact O-CG 3.3Å; S66-P143 WeakPolarHBondContact O-CG 3.37Å
67D97.4Very high97.1Very high1 Ų137.9 Ų37.91%0.00520%0.199CC..SBendtrans-129.572.7175.7-173.838.3000112.4R53 D63 A100 M101 R102 P143R53-D67 PolarHBondContact NH1-O 3.02Å; R53-D67 IonicContact NH1-OD2 3.59Å; R53-D67 PolarHBondContact NH2-O 3.42Å; D63-D67 PolarHBondContact O-N 3.07Å; D67-A100 WeakPolarHBondContact OD1-CA 3.29Å; D67-M101 VanDerWaalsContact CG-N 3.33Å; D67-M101 PolarHBondContact OD1-N 2.8Å; D67-M101 VanDerWaalsContact OD2-CB 3.23Å; D67-M101 WeakPolarHBondContact OD2-CB 3.47Å; D67-M101 PolarHBondContact OD2-N 3.43Å; D67-R102 IonicContact OD1-NH1 3.06Å; D67-R102 PolarHBondContact OD1-NH1 2.49Å; D67-P143 HydrophobicContact CB-CB 3.68Å; D67-P143 HydrophobicContact CB-CG 4.23Å
68P97.8Very high97.3Very high1 Ų135.7 Ų35.71%0.00619%0.188CC..  trans-65.5145.4179.827.4-34.4000111.3V22 D23 W64 R102V22-P68 HydrophobicContact CG1-CB 3.98Å; D23-P68 HydrophobicContact CB-CB 3.97Å; D23-P68 HydrophobicContact CB-CG 4.15Å; D23-P68 VanDerWaalsContact CG-CG 3.4Å; D23-P68 WeakPolarHBondContact OD1-CB 3.41Å; D23-P68 WeakPolarHBondContact OD1-CG 3.28Å; W64-P68 WeakPolarHBondContact O-CA 3.44Å; P68-R102 PolarHBondContact O-N 2.9Å
69G98.1Very high97.3Very high0 Ų031.7 Ų31.70%016%0.163CC..  trans-84.9-167.9173.100000113.2R21 V22R21-G69 WeakPolarHBondContact CA-O 3.5Å; V22-G69 PolarHBondContact N-O 2.81Å
70L98.6Very high97.3Very high0 Ų032.5 Ų32.50%017%0.167CC..BIsolated β-bridgetrans-76.8151.6171.5-62.5-178.7000111.6G19 E20 P47 R102 Q105G19-L70 WeakPolarHBondContact O-CD2 3.28Å; E20-L70 VanDerWaalsContact O-CA 3.3Å; E20-L70 WeakPolarHBondContact O-CA 3.21Å; E20-L70 WeakPolarHBondContact O-CD2 3.49Å; P47-L70 WeakPolarHBondContact CG-O 3.32Å; L70-R102 HydrophobicContact CD2-CB 4.06Å; L70-Q105 HydrophobicContact CD1-CB 3.77Å; L70-Q105 HydrophobicContact CG-CB 3.94Å
71S98Very high97.3Very high0 Ų032.9 Ų32.90%017%0.169CC..  trans-69.8173.8161750000111E20 N45 I73 G74 H75E20-S71 PolarHBondContact O-N 3.35Å; E20-S71 WeakPolarHBondContact OE2-CB 3.4Å; E20-S71 PolarHBondContact OE2-OG 3.33Å; N45-S71 CarbonylContact O-C 3.53Å; N45-S71 WeakPolarHBondContact O-CA 3.17Å; N45-S71 VanDerWaalsContact O-CB 3.3Å; N45-S71 WeakPolarHBondContact O-CB 3.5Å; N45-S71 WeakPolarHBondContact OD1-CB 3.31Å; N45-S71 PolarHBondContact OD1-OG 2.92Å; S71-I73 VanDerWaalsContact C-N 3.32Å; S71-I73 PolarHBondContact O-N 2.98Å; S71-I73 PolarHBondContact OG-N 3.24Å; S71-G74 PolarHBondContact O-N 3.23Å; S71-G74 PolarHBondContact OG-N 2.75Å; S71-H75 PolarHBondContact O-CD2 3.35Å; S71-H75 PolarHBondContact O-N 3.34Å
72T97.8Very high97.3Very high21 Ų2131 Ų3113%0.12916%0.161CC..Hα-helixtrans-59.9-44.3170.7-71.10000110.9R41 L44 N45 M46 G74 H75 W76R41-T72 PolarHBondContact NH2-OG1 2.96Å; L44-T72 VanDerWaalsContact O-CB 3.29Å; L44-T72 WeakPolarHBondContact O-CB 3.31Å; L44-T72 PolarHBondContact O-OG1 3.37Å; L44-T72 VanDerWaalsContact O-OG1 3.07Å; N45-T72 PolarHBondContact O-N 2.87Å; N45-T72 PolarHBondContact OD1-N 3.27Å; M46-T72 PolarHBondContact O-OG1 3.03Å; T72-G74 VanDerWaalsContact C-N 3.32Å; T72-G74 PolarHBondContact O-N 2.88Å; T72-H75 PolarHBondContact O-N 3.26Å; T72-W76 PolarHBondContact O-N 3.49Å; T72-W76 VanDerWaalsContact O-N 3.09Å
73I97.1Very high97.2Very high60 Ų6029.4 Ų29.431%0.30815%0.151SC..Hα-helixtrans-61-42.4174.8-73.2166.7000110.6N45 S71 H75 W76 T77N45-I73 WeakPolarHBondContact OD1-CB 3.31Å; N45-I73 WeakPolarHBondContact OD1-CG1 3.36Å; N45-I73 PolarHBondContact OD1-N 2.92Å; S71-I73 VanDerWaalsContact C-N 3.32Å; S71-I73 PolarHBondContact O-N 2.98Å; S71-I73 PolarHBondContact OG-N 3.24Å; I73-H75 VanDerWaalsContact C-N 3.3Å; I73-H75 PolarHBondContact O-N 3.09Å; I73-W76 PolarHBondContact O-N 3.26Å; I73-T77 HydrophobicContact CG2-CG2 3.85Å; I73-T77 WeakPolarHBondContact O-CB 3.18Å; I73-T77 WeakPolarHBondContact O-CG2 3.36Å; I73-T77 PolarHBondContact O-N 3.46Å; I73-T77 PolarHBondContact O-OG1 2.88Å
74G97.8Very high97.1Very high0 Ų032.4 Ų32.40%016%0.164CC..Hα-helixtrans-56.7-42.4176.400000112.5S71 T72 T77 A78S71-G74 PolarHBondContact O-N 3.23Å; S71-G74 PolarHBondContact OG-N 2.75Å; T72-G74 VanDerWaalsContact C-N 3.32Å; T72-G74 PolarHBondContact O-N 2.88Å; G74-T77 PolarHBondContact O-OG1 3.02Å; G74-A78 VanDerWaalsContact O-CB 3.29Å; G74-A78 WeakPolarHBondContact O-CB 3.42Å; G74-A78 PolarHBondContact O-N 2.8Å; G74-A78 VanDerWaalsContact O-N 3.1Å
75H98.3Very high97.1Very high28 Ų2832.2 Ų32.213%0.1316%0.163CC..Hα-helixtrans-65-48.2175.6-79.7-68.8000112.9S71 T72 I73 A78 S79 R109S71-H75 PolarHBondContact O-CD2 3.35Å; S71-H75 PolarHBondContact O-N 3.34Å; T72-H75 PolarHBondContact O-N 3.26Å; I73-H75 VanDerWaalsContact C-N 3.3Å; I73-H75 PolarHBondContact O-N 3.09Å; H75-A78 PolarHBondContact O-N 2.76Å; H75-S79 PolarHBondContact O-N 2.89Å; H75-S79 VanDerWaalsContact O-N 3.09Å; H75-R109 HydrophobicContact CB-CG 4.19Å; H75-R109 WeakPolarHBondContact ND1-CG 3.47Å; H75-R109 PolarHBondContact ND1-NE 3.33Å
76W97Very high96.9Very high175 Ų17529 Ų2966%0.66314%0.142SC*.Hα-helixtrans-63.8-43.2-179-78.6112.4000112.2T72 I73 S79 L80T72-W76 PolarHBondContact O-N 3.49Å; T72-W76 VanDerWaalsContact O-N 3.09Å; I73-W76 PolarHBondContact O-N 3.26Å; W76-S79 PolarHBondContact O-N 3.1Å; W76-L80 PolarHBondContact O-N 2.89Å
77T97.3Very high96.8Very high13 Ų1333 Ų338%0.0815%0.152CC..Hα-helixtrans-68.7-39.3-178.254.20000111I73 G74 S79 L80 M81 L237 F260I73-T77 HydrophobicContact CG2-CG2 3.85Å; I73-T77 WeakPolarHBondContact O-CB 3.18Å; I73-T77 WeakPolarHBondContact O-CG2 3.36Å; I73-T77 PolarHBondContact O-N 3.46Å; I73-T77 PolarHBondContact O-OG1 2.88Å; G74-T77 PolarHBondContact O-OG1 3.02Å; T77-S79 PolarHBondContact O-N 3.49Å; T77-L80 WeakPolarHBondContact O-CB 3.48Å; T77-L80 PolarHBondContact O-N 3.35Å; T77-M81 VanDerWaalsContact O-CG 3.32Å; T77-M81 WeakPolarHBondContact O-CG 3.3Å; T77-M81 PolarHBondContact O-N 3.19Å; T77-L237 WeakPolarHBondContact OG1-CD1 3.28Å; T77-F260 HydrophobicContact CG2-CD1 4.4Å; T77-F260 HydrophobicContact CG2-CE1 3.32Å; T77-F260 HydrophobicContact CG2-CE2 4.17Å; T77-F260 HydrophobicContact CG2-CZ 3.2Å
78A98.2Very high96.6Very high0 Ų033.5 Ų33.50%016%0.155CC..Hα-helixtrans-59.7-43.8171.200000112.6G74 H75 L80 M81 G82 T106 R109 V110 L237G74-A78 VanDerWaalsContact O-CB 3.29Å; G74-A78 WeakPolarHBondContact O-CB 3.42Å; G74-A78 PolarHBondContact O-N 2.8Å; G74-A78 VanDerWaalsContact O-N 3.1Å; H75-A78 PolarHBondContact O-N 2.76Å; A78-L80 PolarHBondContact O-N 3.31Å; A78-M81 WeakPolarHBondContact O-CB 3.43Å; A78-M81 PolarHBondContact O-N 2.87Å; A78-G82 PolarHBondContact O-N 3.48Å; A78-T106 HydrophobicContact CB-CG2 4Å; A78-R109 HydrophobicContact CB-CB 3.75Å; A78-V110 HydrophobicContact CB-CG2 4.31Å; A78-V110 VanDerWaalsContact O-CG2 3.31Å; A78-V110 WeakPolarHBondContact O-CG2 3.37Å; A78-L237 HydrophobicContact CB-CD2 4.23Å
79S97.2Very high96.4Very high8 Ų839.6 Ų39.66%0.05618%0.181CC..Hα-helixtrans-62.7-41.7175.2-178.90000112.5H75 W76 T77 M81 G82 M83 R109 G113H75-S79 PolarHBondContact O-N 2.89Å; H75-S79 VanDerWaalsContact O-N 3.09Å; W76-S79 PolarHBondContact O-N 3.1Å; T77-S79 PolarHBondContact O-N 3.49Å; S79-M81 VanDerWaalsContact C-N 3.29Å; S79-M81 PolarHBondContact O-N 2.68Å; S79-G82 WeakPolarHBondContact O-CA 3.29Å; S79-G82 PolarHBondContact O-N 3.29Å; S79-G82 VanDerWaalsContact O-N 3.08Å; S79-M83 PolarHBondContact O-N 2.81Å; S79-M83 VanDerWaalsContact OG-CE 3.28Å; S79-M83 WeakPolarHBondContact OG-CE 3.37Å; S79-R109 VanDerWaalsContact CA-O 3.29Å; S79-R109 WeakPolarHBondContact CA-O 3.37Å; S79-G113 WeakPolarHBondContact O-CA 3.3Å
80L96.3Very high96.2Very high89 Ų8939.7 Ų39.747%0.46618%0.181SC..Hα-helixtrans-59.8-38.3174.8-179.763.8000112.4W76 T77 A78 M83 K84 F260W76-L80 PolarHBondContact O-N 2.89Å; T77-L80 WeakPolarHBondContact O-CB 3.48Å; T77-L80 PolarHBondContact O-N 3.35Å; A78-L80 PolarHBondContact O-N 3.31Å; L80-M83 PolarHBondContact O-N 3.42Å; L80-K84 WeakPolarHBondContact O-CB 3.33Å; L80-K84 PolarHBondContact O-N 2.82Å; L80-F260 HydrophobicContact CD2-CE2 4.17Å
81M97.2Very high95.9Very high8 Ų842.4 Ų42.44%0.03919%0.194CC..Hα-helixtrans-61.2-45173.7-62.4-59.8-75.700111T77 A78 S79 K84 L85 V110 L237 M239 I257 F260T77-M81 VanDerWaalsContact O-CG 3.32Å; T77-M81 WeakPolarHBondContact O-CG 3.3Å; T77-M81 PolarHBondContact O-N 3.19Å; A78-M81 WeakPolarHBondContact O-CB 3.43Å; A78-M81 PolarHBondContact O-N 2.87Å; S79-M81 VanDerWaalsContact C-N 3.29Å; S79-M81 PolarHBondContact O-N 2.68Å; M81-K84 PolarHBondContact O-N 3.33Å; M81-L85 VanDerWaalsContact O-CG 3.28Å; M81-L85 WeakPolarHBondContact O-CG 3.05Å; M81-L85 PolarHBondContact O-N 2.75Å; M81-V110 HydrophobicContact CB-CG2 4.46Å; M81-L237 HydrophobicContact CE-CB 4.26Å; M81-L237 HydrophobicContact CG-CB 4.13Å; M81-L237 HydrophobicContact CG-CD1 3.74Å; M81-L237 HydrophobicContact CG-CD2 4.3Å; M81-L237 HydrophobicContact CG-CG 4.27Å; M81-L237 HydrophobicContact SD-CB 4.42Å; M81-L237 HydrophobicContact SD-CD1 4.48Å; M81-M239 HydrophobicContact CE-CE 3.19Å; M81-I257 HydrophobicContact CE-CB 3.92Å; M81-I257 HydrophobicContact CE-CD1 3.65Å; M81-I257 HydrophobicContact CE-CG1 4.38Å; M81-I257 HydrophobicContact CE-CG2 3.69Å; M81-I257 HydrophobicContact SD-CD1 4.15Å; M81-I257 HydrophobicContact SD-CG2 4.22Å; M81-F260 HydrophobicContact SD-CB 4.26Å
82G96.5Very high95.8Very high0 Ų042.8 Ų42.80%020%0.196CC..Hα-helixtrans-55.1-53.2174.200000113.1A78 S79 K84 L85 S86 V110 G113 Y114A78-G82 PolarHBondContact O-N 3.48Å; S79-G82 WeakPolarHBondContact O-CA 3.29Å; S79-G82 PolarHBondContact O-N 3.29Å; S79-G82 VanDerWaalsContact O-N 3.08Å; G82-K84 PolarHBondContact O-N 2.82Å; G82-L85 PolarHBondContact O-N 3.27Å; G82-L85 VanDerWaalsContact O-N 3.17Å; G82-S86 PolarHBondContact O-N 2.91Å; G82-V110 WeakPolarHBondContact CA-O 3.42Å; G82-G113 VanDerWaalsContact C-C 3.43Å; G82-Y114 WeakPolarHBondContact O-CA 3.35Å
83M95Very high95.7Very high69 Ų6945.1 Ų45.134%0.3421%0.208SC..Hα-helixtrans-56.6-40.8177.2-67.7179.9-12600111.7S79 L80 S86 K87 G113S79-M83 PolarHBondContact O-N 2.81Å; S79-M83 VanDerWaalsContact OG-CE 3.28Å; S79-M83 WeakPolarHBondContact OG-CE 3.37Å; L80-M83 PolarHBondContact O-N 3.42Å; M83-S86 PolarHBondContact O-N 3.25Å; M83-K87 WeakPolarHBondContact O-CB 3.47Å; M83-K87 PolarHBondContact O-N 3.46Å; M83-G113 VanDerWaalsContact CA-O 3.27Å; M83-G113 WeakPolarHBondContact CA-O 3.4Å; M83-G113 WeakPolarHBondContact CG-O 3.27Å; M83-G113 VanDerWaalsContact N-C 3.31Å; M83-G113 PolarHBondContact N-O 3.24Å
84K95Very high95.6Very high75 Ų7543 Ų4333%0.32620%0.196SC..Hα-helixtrans-68.5-42.3179.3-17959.9177176.30112.1L80 M81 G82 S86 K87 L88 I257L80-K84 WeakPolarHBondContact O-CB 3.33Å; L80-K84 PolarHBondContact O-N 2.82Å; M81-K84 PolarHBondContact O-N 3.33Å; G82-K84 PolarHBondContact O-N 2.82Å; K84-S86 VanDerWaalsContact C-N 3.33Å; K84-K87 PolarHBondContact O-N 2.99Å; K84-L88 HydrophobicContact CD-CD1 4.29Å; K84-L88 HydrophobicContact CD-CG 4.26Å; K84-L88 HydrophobicContact CG-CD1 4.21Å; K84-L88 WeakPolarHBondContact O-CB 3.33Å; K84-L88 VanDerWaalsContact O-CG 3.28Å; K84-L88 WeakPolarHBondContact O-CG 3.3Å; K84-L88 PolarHBondContact O-N 3.31Å; K84-I257 HydrophobicContact CB-CD1 3.7Å; K84-I257 HydrophobicContact CB-CG1 4.49Å; K84-I257 HydrophobicContact CG-CD1 3.51Å; K84-I257 HydrophobicContact CG-CG1 3.75Å
85L95.4Very high95.6Very high1 Ų143 Ų431%0.00520%0.197CC..Hα-helixtrans-59.1-45.5175.2-70.7170.4000110.9M16 M81 G82 L88 K89 V90 I92 V110 Y114 M239 P256 I257M16-L85 HydrophobicContact CE-CD1 4.22Å; M81-L85 VanDerWaalsContact O-CG 3.28Å; M81-L85 WeakPolarHBondContact O-CG 3.05Å; M81-L85 PolarHBondContact O-N 2.75Å; G82-L85 PolarHBondContact O-N 3.27Å; G82-L85 VanDerWaalsContact O-N 3.17Å; L85-L88 CarbonylContact O-C 3.56Å; L85-L88 PolarHBondContact O-N 3.45Å; L85-K89 PolarHBondContact O-N 3.06Å; L85-V90 HydrophobicContact CB-CB 4.38Å; L85-V90 HydrophobicContact CB-CG2 4.49Å; L85-V90 HydrophobicContact CD2-CB 4.19Å; L85-V90 HydrophobicContact CD2-CG1 4.25Å; L85-V90 HydrophobicContact CD2-CG2 3.89Å; L85-V90 PolarHBondContact O-N 3.45Å; L85-I92 HydrophobicContact CB-CD1 4.46Å; L85-I92 HydrophobicContact CD1-CD1 3.96Å; L85-V110 HydrophobicContact CD1-CG1 4.07Å; L85-Y114 HydrophobicContact CB-CD2 3.87Å; L85-Y114 HydrophobicContact CB-CE2 4.25Å; L85-M239 HydrophobicContact CD1-CE 4.41Å; L85-M239 HydrophobicContact CD2-CE 4.31Å; L85-P256 HydrophobicContact CD2-CB 3.93Å; L85-P256 HydrophobicContact CD2-CG 3.47Å; L85-P256 VanDerWaalsContact CD2-CG 3.47Å; L85-I257 HydrophobicContact CD2-CD1 3.84Å; L85-I257 HydrophobicContact CD2-CG1 4.2Å; L85-I257 HydrophobicContact CG-CD1 3.83Å
86S94.2Very high95.7Very high5 Ų541.7 Ų41.74%0.03519%0.191CC..Hα-helixtrans-64.6-44.9178.1-175.10000112.1G82 M83 K84 L88 K89 Y114 L117G82-S86 PolarHBondContact O-N 2.91Å; M83-S86 PolarHBondContact O-N 3.25Å; K84-S86 VanDerWaalsContact C-N 3.33Å; S86-L88 PolarHBondContact O-N 2.93Å; S86-K89 WeakPolarHBondContact O-CA 3.36Å; S86-K89 PolarHBondContact O-N 3.22Å; S86-Y114 WeakPolarHBondContact CB-O 3.45Å; S86-Y114 PolarHBondContact OG-O 2.81Å; S86-L117 WeakPolarHBondContact OG-CB 3.41Å
87K93.1Very high95.7Very high140 Ų14033.3 Ų33.361%0.60916%0.159SC*.Hα-helixtrans-60.8-31.5174.3-174171.3-175.2169.40113.3M83 K84 K89 L117M83-K87 WeakPolarHBondContact O-CB 3.47Å; M83-K87 PolarHBondContact O-N 3.46Å; K84-K87 PolarHBondContact O-N 2.99Å; K87-K89 VanDerWaalsContact C-N 3.25Å; K87-L117 HydrophobicContact CB-CD1 4.14Å
88L93.4Very high95.8Very high11 Ų1132.7 Ų32.76%0.05816%0.155CC..THydrogen-bonded Turntrans-81.2-2.8175.2-72.2176.3000113.4Y5 K84 L85 S86 V90 P256 I257Y5-L88 PolarHBondContact N-O 3.41Å; K84-L88 HydrophobicContact CD-CD1 4.29Å; K84-L88 HydrophobicContact CD-CG 4.26Å; K84-L88 HydrophobicContact CG-CD1 4.21Å; K84-L88 WeakPolarHBondContact O-CB 3.33Å; K84-L88 VanDerWaalsContact O-CG 3.28Å; K84-L88 WeakPolarHBondContact O-CG 3.3Å; K84-L88 PolarHBondContact O-N 3.31Å; L85-L88 CarbonylContact O-C 3.56Å; L85-L88 PolarHBondContact O-N 3.45Å; S86-L88 PolarHBondContact O-N 2.93Å; L88-V90 HydrophobicContact CB-CG2 3.86Å; L88-V90 PolarHBondContact O-N 2.78Å; L88-P256 HydrophobicContact CD1-CB 4.37Å; L88-P256 WeakPolarHBondContact CD1-O 3.46Å; L88-I257 HydrophobicContact CD1-CG1 4.17Å
89K92.1Very high95.8Very high129 Ų12933.1 Ų33.156%0.56116%0.158SC*.THydrogen-bonded Turntrans53.738.8-173.3-59.3-171.4176.3-1720112.7L4 L85 S86 K87 Q91L4-K89 HydrophobicContact CD1-CD 4.08Å; L4-K89 HydrophobicContact CD2-CB 4.26Å; L4-K89 HydrophobicContact CD2-CD 3.93Å; L4-K89 HydrophobicContact CD2-CG 3.93Å; L85-K89 PolarHBondContact O-N 3.06Å; S86-K89 WeakPolarHBondContact O-CA 3.36Å; S86-K89 PolarHBondContact O-N 3.22Å; K87-K89 VanDerWaalsContact C-N 3.25Å; K89-Q91 PolarHBondContact O-N 3.25Å
90V94.2Very high95.8Very high1 Ų132.7 Ų32.71%0.00616%0.155CC..  trans-69.4117.1172.8-1790000107.6Y5 I14 L85 L88 I92 Y114 P256Y5-V90 HydrophobicContact CD1-CB 4.4Å; Y5-V90 HydrophobicContact CD1-CG1 4.11Å; Y5-V90 HydrophobicContact CD1-CG2 3.87Å; Y5-V90 HydrophobicContact CE1-CG1 4.43Å; Y5-V90 HydrophobicContact CG-CG2 3.9Å; I14-V90 HydrophobicContact CD1-CG1 3.76Å; L85-V90 HydrophobicContact CB-CB 4.38Å; L85-V90 HydrophobicContact CB-CG2 4.49Å; L85-V90 HydrophobicContact CD2-CB 4.19Å; L85-V90 HydrophobicContact CD2-CG1 4.25Å; L85-V90 HydrophobicContact CD2-CG2 3.89Å; L85-V90 PolarHBondContact O-N 3.45Å; L88-V90 HydrophobicContact CB-CG2 3.86Å; L88-V90 PolarHBondContact O-N 2.78Å; V90-I92 HydrophobicContact CG1-CG1 4.36Å; V90-I92 PolarHBondContact O-N 3.17Å; V90-Y114 WeakPolarHBondContact O-CE2 3.41Å; V90-Y114 PolarHBondContact O-OH 3.04Å; V90-P256 HydrophobicContact CG1-CG 4.44Å; V90-P256 HydrophobicContact CG2-CB 3.47Å; V90-P256 VanDerWaalsContact CG2-CB 3.47Å; V90-P256 HydrophobicContact CG2-CG 4.17Å
91Q93.7Very high95.9Very high58 Ų5829.2 Ų29.227%0.27114%0.137SC..  trans-61.9130.6172.2-175.7-176.3-19.900109.9K89 D93 K198 S200K89-Q91 PolarHBondContact O-N 3.25Å; Q91-D93 WeakPolarHBondContact CG-OD2 3.5Å; Q91-D93 PolarHBondContact NE2-OD1 3.3Å; Q91-D93 PolarHBondContact NE2-OD2 3.06Å; Q91-K198 PolarHBondContact NE2-O 3.07Å; Q91-S200 WeakPolarHBondContact O-CB 3.38Å; Q91-S200 PolarHBondContact O-OG 3.08Å
92I95.3Very high96Very high7 Ų729 Ų294%0.03614%0.135CC..  trans-136.1118.5171.3-55.7178.2000106.2L85 V90 V95 Y114 L123 L202L85-I92 HydrophobicContact CB-CD1 4.46Å; L85-I92 HydrophobicContact CD1-CD1 3.96Å; V90-I92 HydrophobicContact CG1-CG1 4.36Å; V90-I92 PolarHBondContact O-N 3.17Å; I92-V95 HydrophobicContact CG2-CG2 3.87Å; I92-Y114 HydrophobicContact CB-CE2 4.48Å; I92-Y114 HydrophobicContact CD1-CD2 3.75Å; I92-Y114 HydrophobicContact CD1-CE2 3.66Å; I92-Y114 HydrophobicContact CD1-CG 4.35Å; I92-Y114 HydrophobicContact CG1-CE2 3.98Å; I92-L123 HydrophobicContact CB-CD1 4.29Å; I92-L123 HydrophobicContact CG2-CD1 3.91Å; I92-L123 HydrophobicContact CG2-CD2 4.34Å; I92-L202 HydrophobicContact CD1-CD2 4.47Å; I92-L202 HydrophobicContact CG2-CB 4.07Å
93D94.7Very high96.1Very high70 Ų7029 Ų2937%0.37414%0.135SC..  trans-112.2-29-178.3-51.1-80.6000111.9Q91 S199 S200Q91-D93 WeakPolarHBondContact CG-OD2 3.5Å; Q91-D93 PolarHBondContact NE2-OD1 3.3Å; Q91-D93 PolarHBondContact NE2-OD2 3.06Å; D93-S199 WeakPolarHBondContact OD2-CA 3.46Å; D93-S199 WeakPolarHBondContact OD2-CB 3.49Å; D93-S200 PolarHBondContact N-O 3.01Å; D93-S200 PolarHBondContact OD2-N 3.09Å
94Q96.2Very high96.3Very high15 Ų1525.8 Ų25.87%0.0712%0.12CC..EExtended strand (participates in β ladder)trans-135.7140.8-179.4-66.3172.5-69.600109.7F96 S200 A201 L202Q94-F96 HydrophobicContact CB-CD2 4.46Å; Q94-F96 HydrophobicContact CB-CE2 3.77Å; Q94-F96 HydrophobicContact CB-CZ 4.44Å; Q94-S200 PolarHBondContact N-O 2.68Å; Q94-A201 HydrophobicContact CB-CB 4.36Å; Q94-A201 CarbonylContact O-C 3.58Å; Q94-A201 VanDerWaalsContact O-CA 3.31Å; Q94-A201 WeakPolarHBondContact O-CA 3.37Å; Q94-L202 PolarHBondContact O-N 3.23Å
95V98.3Very high96.5Very high1 Ų123.8 Ų23.81%0.00611%0.111CC..EExtended strand (participates in β ladder)trans-123.8118.8175.6-176.80000108.5I92 A107 I111 L123 I125 Q126 L202I92-V95 HydrophobicContact CG2-CG2 3.87Å; V95-A107 HydrophobicContact CG1-CB 4.08Å; V95-I111 HydrophobicContact CB-CD1 4.26Å; V95-I111 HydrophobicContact CG1-CD1 4.27Å; V95-I111 HydrophobicContact CG2-CD1 4.07Å; V95-I111 HydrophobicContact CG2-CG1 4.16Å; V95-L123 HydrophobicContact CG2-CB 4.34Å; V95-L123 HydrophobicContact CG2-CD1 4.12Å; V95-I125 HydrophobicContact CG1-CG1 4.35Å; V95-I125 WeakPolarHBondContact O-CA 3.26Å; V95-Q126 PolarHBondContact O-N 3.03Å; V95-L202 CarbonylContact C-O 3.56Å; V95-L202 WeakPolarHBondContact CA-O 3.48Å; V95-L202 HydrophobicContact CG1-CD2 4.47Å; V95-L202 HydrophobicContact CG2-CB 4.41Å
96F98.5Very high96.6Very high0 Ų023.7 Ų23.70%011%0.111CC..EExtended strand (participates in β ladder)trans-108.3147.6172.2-60.7-94.1000109.3Q94 Q126 L131 Y162 I191 A201 L202 I203 V204Q94-F96 HydrophobicContact CB-CD2 4.46Å; Q94-F96 HydrophobicContact CB-CE2 3.77Å; Q94-F96 HydrophobicContact CB-CZ 4.44Å; F96-Q126 CarbonylContact C-O 3.6Å; F96-Q126 VanDerWaalsContact CA-O 3.27Å; F96-Q126 WeakPolarHBondContact CA-O 3.41Å; F96-Q126 HydrophobicContact CD1-CB 3.64Å; F96-Q126 HydrophobicContact CE1-CB 3.91Å; F96-Q126 HydrophobicContact CE1-CG 4.44Å; F96-Q126 HydrophobicContact CG-CB 4.31Å; F96-L131 HydrophobicContact CB-CD1 4.08Å; F96-Y162 HydrophobicContact CD1-CE2 4.34Å; F96-Y162 AromaticContact CE1-CE2 3.76Å; F96-Y162 HydrophobicContact CE1-CE2 3.76Å; F96-Y162 AromaticContact CE1-CZ 3.86Å; F96-I191 HydrophobicContact CB-CD1 4.45Å; F96-I191 HydrophobicContact CD1-CD1 4.36Å; F96-I191 HydrophobicContact CD1-CG1 4.13Å; F96-I191 HydrophobicContact CD2-CG2 3.95Å; F96-I191 HydrophobicContact CE1-CG1 4.22Å; F96-I191 HydrophobicContact CE1-CG2 4.4Å; F96-I191 HydrophobicContact CE2-CG2 3.74Å; F96-I191 HydrophobicContact CG-CD1 4.3Å; F96-I191 HydrophobicContact CG-CG1 4.41Å; F96-I191 HydrophobicContact CG-CG2 4.38Å; F96-I191 HydrophobicContact CZ-CG2 3.99Å; F96-A201 HydrophobicContact CD2-CB 4.21Å; F96-A201 HydrophobicContact CE2-CB 4.07Å; F96-L202 PolarHBondContact N-O 3.4Å; F96-I203 HydrophobicContact CB-CG1 4.38Å; F96-I203 CarbonylContact O-C 3.56Å; F96-I203 WeakPolarHBondContact O-CA 3.27Å; F96-V204 PolarHBondContact O-N 3Å
97C98.8Very high96.9Very high0 Ų023.5 Ų23.50%011%0.109CC..EExtended strand (participates in β ladder)trans-143.3157.3168.7780000113.5C103 A107 I125 Q126 E128 V204C97-C103 HydrophobicContact CB-CB 4.44Å; C97-A107 HydrophobicContact CB-CB 4.1Å; C97-I125 HydrophobicContact CB-CG2 4.14Å; C97-I125 WeakPolarHBondContact SG-CG2 3.24Å; C97-Q126 PolarHBondContact N-O 3.41Å; C97-E128 PolarHBondContact O-N 2.63Å; C97-V204 CarbonylContact C-O 3.54Å; C97-V204 WeakPolarHBondContact CA-O 3.21Å; C97-V204 HydrophobicContact CB-CB 4Å; C97-V204 WeakPolarHBondContact CB-O 3.39Å
98S98.6Very high97.1Very high0 Ų017.9 Ų17.90%09%0.088CC..  trans-58.4149163177.50000110.9A100 C103 L131 Y132 V204 H206S98-A100 PolarHBondContact O-N 3.2Å; S98-C103 WeakPolarHBondContact O-CB 3.44Å; S98-L131 WeakPolarHBondContact CB-O 3.48Å; S98-L131 PolarHBondContact OG-O 2.83Å; S98-Y132 WeakPolarHBondContact OG-CA 3.49Å; S98-V204 PolarHBondContact N-O 3.42Å; S98-H206 WeakPolarHBondContact CB-NE2 3.42Å; S98-H206 PolarHBondContact OG-NE2 3Å
99P98.1Very high97.3Very high8 Ų821.5 Ų21.55%0.05210%0.1CC..SBendtrans-69.4-11.9179.230.8-40.3000113.9M101 I127 E128 Q129 Y132 F145P99-M101 PolarHBondContact O-N 3.4Å; P99-I127 HydrophobicContact CB-CG2 3.78Å; P99-E128 WeakPolarHBondContact CD-O 3.45Å; P99-Q129 HydrophobicContact CB-CG 4.26Å; P99-Q129 HydrophobicContact CG-CB 4.41Å; P99-Q129 HydrophobicContact CG-CG 4.23Å; P99-Y132 HydrophobicContact CG-CD2 4.39Å; P99-F145 HydrophobicContact CB-CB 4.1Å; P99-F145 HydrophobicContact CB-CD1 4.03Å; P99-F145 HydrophobicContact CB-CD2 3.74Å; P99-F145 HydrophobicContact CB-CE1 4.42Å; P99-F145 HydrophobicContact CB-CE2 4.14Å; P99-F145 HydrophobicContact CB-CG 3.68Å; P99-F145 HydrophobicContact CB-CZ 4.47Å; P99-F145 HydrophobicContact CG-CD1 4.25Å; P99-F145 HydrophobicContact CG-CD2 3.74Å; P99-F145 HydrophobicContact CG-CE1 4.15Å; P99-F145 HydrophobicContact CG-CE2 3.61Å; P99-F145 HydrophobicContact CG-CG 4.07Å; P99-F145 HydrophobicContact CG-CZ 3.83Å; P99-F145 WeakPolarHBondContact O-CD1 3.34Å
100A98.2Very high97.6Very high0 Ų015.4 Ų15.40%07%0.074CC..SBendtrans-58.5134.8177.100000111.6D67 S98 R102 C103 V104 Y132D67-A100 WeakPolarHBondContact OD1-CA 3.29Å; S98-A100 PolarHBondContact O-N 3.2Å; A100-R102 VanDerWaalsContact C-N 3.26Å; A100-R102 HydrophobicContact CB-CG 4.09Å; A100-R102 PolarHBondContact O-N 2.92Å; A100-R102 VanDerWaalsContact O-N 3.17Å; A100-C103 HydrophobicContact CB-CB 4.45Å; A100-C103 WeakPolarHBondContact O-CA 3.12Å; A100-C103 WeakPolarHBondContact O-CB 3.31Å; A100-C103 PolarHBondContact O-N 3.13Å; A100-V104 PolarHBondContact O-N 3.05Å; A100-Y132 HydrophobicContact CB-CD2 4.13Å; A100-Y132 HydrophobicContact CB-CE2 3.96Å
101M98.4Very high97.8Very high16 Ų1615.5 Ų15.58%0.0798%0.075CC..Hα-helixtrans-53.5-43.2-176.9-17762.760.600112.3R53 W64 D67 P99 C103 V104 Q105 V146 L151R53-M101 VanDerWaalsContact NH2-CG 3.29Å; W64-M101 HydrophobicContact CZ3-CG 4.45Å; D67-M101 VanDerWaalsContact CG-N 3.33Å; D67-M101 PolarHBondContact OD1-N 2.8Å; D67-M101 VanDerWaalsContact OD2-CB 3.23Å; D67-M101 WeakPolarHBondContact OD2-CB 3.47Å; D67-M101 PolarHBondContact OD2-N 3.43Å; P99-M101 PolarHBondContact O-N 3.4Å; M101-C103 VanDerWaalsContact C-N 3.25Å; M101-C103 PolarHBondContact O-N 3.37Å; M101-V104 PolarHBondContact O-N 3.26Å; M101-Q105 HydrophobicContact CG-CG 4.03Å; M101-Q105 VanDerWaalsContact O-CB 3.28Å; M101-Q105 WeakPolarHBondContact O-CB 3.22Å; M101-Q105 VanDerWaalsContact O-CG 3.28Å; M101-Q105 WeakPolarHBondContact O-CG 3.48Å; M101-Q105 PolarHBondContact O-N 2.95Å; M101-Q105 HydrophobicContact SD-CG 3.76Å; M101-V146 HydrophobicContact CE-CB 4.04Å; M101-V146 HydrophobicContact CE-CG2 3.44Å; M101-V146 VanDerWaalsContact CE-CG2 3.44Å; M101-L151 HydrophobicContact CE-CD2 4Å; M101-L151 HydrophobicContact SD-CD2 4.38Å
102R98.6Very high97.9Very high3 Ų317.2 Ų17.21%0.0118%0.083CC..Hα-helixtrans-55.7-36.3175.160.5-171.5169.2-75.6-0.7113.5H18 R21 D67 P68 L70 A100 T106 E133 H206H18-R102 HydrophobicContact CB-CB 4.2Å; H18-R102 HydrophobicContact CB-CG 4.11Å; R21-R102 VanDerWaalsContact CD-CD 3.47Å; R21-R102 HydrophobicContact CG-CB 4.28Å; D67-R102 IonicContact OD1-NH1 3.06Å; D67-R102 PolarHBondContact OD1-NH1 2.49Å; P68-R102 PolarHBondContact O-N 2.9Å; L70-R102 HydrophobicContact CD2-CB 4.06Å; A100-R102 VanDerWaalsContact C-N 3.26Å; A100-R102 HydrophobicContact CB-CG 4.09Å; A100-R102 PolarHBondContact O-N 2.92Å; A100-R102 VanDerWaalsContact O-N 3.17Å; R102-T106 VanDerWaalsContact O-CB 3.31Å; R102-T106 WeakPolarHBondContact O-CB 3.48Å; R102-T106 PolarHBondContact O-N 3.09Å; R102-T106 VanDerWaalsContact O-N 3.09Å; R102-T106 PolarHBondContact O-OG1 3.29Å; R102-E133 IonicContact CZ-OE1 2.62Å; R102-E133 IonicContact NE-OE1 3.53Å; R102-E133 IonicContact NH2-OE1 3.77Å; R102-E133 PolarHBondContact NH2-OE1 2.96Å; R102-H206 PolarHBondContact NE-CE1 2.78Å; R102-H206 PolarHBondContact NH2-CE1 2.88Å; R102-H206 VanDerWaalsContact NH2-CE1 3.29Å
103C98.9Very high98Very high0 Ų016.9 Ų16.90%08%0.081CC..Hα-helixtrans-77.5-45.4178-66.30000111.4C97 S98 A100 M101 Q105 T106 A107 V204 H206C97-C103 HydrophobicContact CB-CB 4.44Å; S98-C103 WeakPolarHBondContact O-CB 3.44Å; A100-C103 HydrophobicContact CB-CB 4.45Å; A100-C103 WeakPolarHBondContact O-CA 3.12Å; A100-C103 WeakPolarHBondContact O-CB 3.31Å; A100-C103 PolarHBondContact O-N 3.13Å; M101-C103 VanDerWaalsContact C-N 3.25Å; M101-C103 PolarHBondContact O-N 3.37Å; C103-Q105 VanDerWaalsContact C-N 3.35Å; C103-Q105 PolarHBondContact O-N 3.39Å; C103-T106 PolarHBondContact O-N 3.06Å; C103-A107 WeakPolarHBondContact O-CB 3.15Å; C103-A107 PolarHBondContact O-N 3.4Å; C103-V204 HydrophobicContact CB-CG1 4.31Å; C103-V204 WeakPolarHBondContact O-CG1 3.31Å; C103-H206 PolarHBondContact SG-CE1 3.47Å
104V98.8Very high98.1Very high2 Ų214.7 Ų14.71%0.0127%0.068CC..Hα-helixtrans-56.9-48.9175.4175.30000110.7A100 M101 T106 A107 S108 I127 L151 T156 I158A100-V104 PolarHBondContact O-N 3.05Å; M101-V104 PolarHBondContact O-N 3.26Å; V104-T106 PolarHBondContact O-N 3.21Å; V104-A107 PolarHBondContact O-N 2.97Å; V104-S108 WeakPolarHBondContact O-CB 3.5Å; V104-S108 PolarHBondContact O-N 3.3Å; V104-I127 HydrophobicContact CG2-CD1 4.19Å; V104-I127 HydrophobicContact CG2-CG1 4.46Å; V104-L151 HydrophobicContact CG1-CD1 4.01Å; V104-L151 HydrophobicContact CG1-CD2 4.25Å; V104-L151 HydrophobicContact CG2-CD1 4.43Å; V104-T156 HydrophobicContact CG1-CG2 3.99Å; V104-I158 HydrophobicContact CG1-CD1 4.24Å
105Q98.6Very high98Very high32 Ų3216.8 Ų16.815%0.158%0.078CC..Hα-helixtrans-65.1-38.1178.1-73.1178-27.100112.3L70 M101 C103 S108 R109L70-Q105 HydrophobicContact CD1-CB 3.77Å; L70-Q105 HydrophobicContact CG-CB 3.94Å; M101-Q105 HydrophobicContact CG-CG 4.03Å; M101-Q105 VanDerWaalsContact O-CB 3.28Å; M101-Q105 WeakPolarHBondContact O-CB 3.22Å; M101-Q105 VanDerWaalsContact O-CG 3.28Å; M101-Q105 WeakPolarHBondContact O-CG 3.48Å; M101-Q105 PolarHBondContact O-N 2.95Å; M101-Q105 HydrophobicContact SD-CG 3.76Å; C103-Q105 VanDerWaalsContact C-N 3.35Å; C103-Q105 PolarHBondContact O-N 3.39Å; Q105-S108 PolarHBondContact O-N 3.15Å; Q105-R109 WeakPolarHBondContact O-CG 3.47Å; Q105-R109 PolarHBondContact O-N 3.48Å
106T98.9Very high97.6Very high0 Ų020.2 Ų20.20%010%0.101CC..Hα-helixtrans-62.6-49.9175.1-62.10000110.1M16 H18 G19 A78 R102 C103 V104 S108 R109 V110 V204 L237M16-T106 HydrophobicContact SD-CG2 4.26Å; H18-T106 WeakPolarHBondContact CA-OG1 3.25Å; G19-T106 PolarHBondContact N-OG1 2.95Å; A78-T106 HydrophobicContact CB-CG2 4Å; R102-T106 VanDerWaalsContact O-CB 3.31Å; R102-T106 WeakPolarHBondContact O-CB 3.48Å; R102-T106 PolarHBondContact O-N 3.09Å; R102-T106 VanDerWaalsContact O-N 3.09Å; R102-T106 PolarHBondContact O-OG1 3.29Å; C103-T106 PolarHBondContact O-N 3.06Å; V104-T106 PolarHBondContact O-N 3.21Å; T106-S108 VanDerWaalsContact C-N 3.33Å; T106-S108 PolarHBondContact O-N 3.01Å; T106-R109 PolarHBondContact O-N 2.99Å; T106-V110 HydrophobicContact CG2-CG2 4.28Å; T106-V110 WeakPolarHBondContact O-CB 3.08Å; T106-V110 VanDerWaalsContact O-CG2 3.27Å; T106-V110 WeakPolarHBondContact O-CG2 3.27Å; T106-V110 PolarHBondContact O-N 3.23Å; T106-V204 HydrophobicContact CG2-CG1 3.67Å; T106-L237 HydrophobicContact CG2-CD2 3.82Å
107A98.9Very high96.8Very high0 Ų023 Ų230%012%0.116CC..Hα-helixtrans-59.1-44.6178.800000111.8V95 C97 C103 V104 R109 V110 I111 I125 V204V95-A107 HydrophobicContact CG1-CB 4.08Å; C97-A107 HydrophobicContact CB-CB 4.1Å; C103-A107 WeakPolarHBondContact O-CB 3.15Å; C103-A107 PolarHBondContact O-N 3.4Å; V104-A107 PolarHBondContact O-N 2.97Å; A107-R109 PolarHBondContact O-N 2.95Å; A107-V110 PolarHBondContact O-N 3.28Å; A107-I111 WeakPolarHBondContact O-CG1 3.18Å; A107-I111 PolarHBondContact O-N 2.77Å; A107-I125 HydrophobicContact CB-CD1 3.8Å; A107-I125 HydrophobicContact CB-CG1 4.07Å; A107-I125 HydrophobicContact CB-CG2 4.33Å; A107-V204 HydrophobicContact CB-CB 4.11Å; A107-V204 HydrophobicContact CB-CG1 4.49Å; A107-V204 HydrophobicContact CB-CG2 3.88Å
108S98.4Very high95.4Very high22 Ų2229.2 Ų29.215%0.15416%0.157CC..Hα-helixtrans-58-48.9177-177.40000112.2V104 Q105 T106 I111 E112 P157V104-S108 WeakPolarHBondContact O-CB 3.5Å; V104-S108 PolarHBondContact O-N 3.3Å; Q105-S108 PolarHBondContact O-N 3.15Å; T106-S108 VanDerWaalsContact C-N 3.33Å; T106-S108 PolarHBondContact O-N 3.01Å; S108-I111 PolarHBondContact O-N 3.07Å; S108-E112 PolarHBondContact O-N 2.94Å; S108-P157 WeakPolarHBondContact OG-CD 3.39Å
109R98.3Very high94.1Very high87 Ų8733.8 Ų33.833%0.32818%0.178SC..Hα-helixtrans-68.3-36178-66.1-54.5-176.9171.5-2.6112.8H75 A78 S79 Q105 T106 A107 I111 E112 G113H75-R109 HydrophobicContact CB-CG 4.19Å; H75-R109 WeakPolarHBondContact ND1-CG 3.47Å; H75-R109 PolarHBondContact ND1-NE 3.33Å; A78-R109 HydrophobicContact CB-CB 3.75Å; S79-R109 VanDerWaalsContact CA-O 3.29Å; S79-R109 WeakPolarHBondContact CA-O 3.37Å; Q105-R109 WeakPolarHBondContact O-CG 3.47Å; Q105-R109 PolarHBondContact O-N 3.48Å; T106-R109 PolarHBondContact O-N 2.99Å; A107-R109 PolarHBondContact O-N 2.95Å; R109-I111 VanDerWaalsContact C-N 3.34Å; R109-E112 WeakPolarHBondContact CD-OE2 3.43Å; R109-E112 IonicContact CZ-OE2 2.78Å; R109-E112 IonicContact NE-OE2 3.4Å; R109-E112 IonicContact NH1-OE1 3.69Å; R109-E112 PolarHBondContact NH1-OE1 2.91Å; R109-E112 IonicContact NH1-OE2 3.49Å; R109-E112 PolarHBondContact NH1-OE2 2.97Å; R109-E112 PolarHBondContact O-N 3.45Å; R109-G113 PolarHBondContact O-N 3.1Å
110V98.1Very high92.5Very high1 Ų138.9 Ų38.91%0.00622%0.221CC..Hα-helixtrans-61.9-43.6173.8170.80000110.6M16 A78 M81 G82 L85 T106 A107 G113 Y114 L202M16-V110 HydrophobicContact CE-CG1 4.34Å; M16-V110 HydrophobicContact CE-CG2 4.01Å; M16-V110 HydrophobicContact SD-CG2 3.98Å; A78-V110 HydrophobicContact CB-CG2 4.31Å; A78-V110 VanDerWaalsContact O-CG2 3.31Å; A78-V110 WeakPolarHBondContact O-CG2 3.37Å; M81-V110 HydrophobicContact CB-CG2 4.46Å; G82-V110 WeakPolarHBondContact CA-O 3.42Å; L85-V110 HydrophobicContact CD1-CG1 4.07Å; T106-V110 HydrophobicContact CG2-CG2 4.28Å; T106-V110 WeakPolarHBondContact O-CB 3.08Å; T106-V110 VanDerWaalsContact O-CG2 3.27Å; T106-V110 WeakPolarHBondContact O-CG2 3.27Å; T106-V110 PolarHBondContact O-N 3.23Å; A107-V110 PolarHBondContact O-N 3.28Å; V110-G113 PolarHBondContact O-N 2.91Å; V110-Y114 WeakPolarHBondContact O-CB 3.38Å; V110-Y114 PolarHBondContact O-N 3.17Å; V110-L202 HydrophobicContact CG1-CD2 3.66Å
111I97.7Very high91.7Very high4 Ų441.6 Ų41.62%0.02124%0.237CC..Hα-helixtrans-61.1-50.4175.2-70.5170.3000110.4V95 A107 S108 R109 G113 Y114 E115 L123 I125 P157V95-I111 HydrophobicContact CB-CD1 4.26Å; V95-I111 HydrophobicContact CG1-CD1 4.27Å; V95-I111 HydrophobicContact CG2-CD1 4.07Å; V95-I111 HydrophobicContact CG2-CG1 4.16Å; A107-I111 WeakPolarHBondContact O-CG1 3.18Å; A107-I111 PolarHBondContact O-N 2.77Å; S108-I111 PolarHBondContact O-N 3.07Å; R109-I111 VanDerWaalsContact C-N 3.34Å; I111-G113 VanDerWaalsContact C-N 3.32Å; I111-G113 PolarHBondContact O-N 2.84Å; I111-Y114 PolarHBondContact O-N 2.64Å; I111-E115 HydrophobicContact CG2-CG 4.25Å; I111-E115 WeakPolarHBondContact O-CB 3.29Å; I111-E115 PolarHBondContact O-N 3.21Å; I111-L123 HydrophobicContact CD1-CB 3.9Å; I111-L123 HydrophobicContact CG1-CB 3.95Å; I111-L123 HydrophobicContact CG1-CD1 4.19Å; I111-L123 HydrophobicContact CG2-CB 4.01Å; I111-I125 HydrophobicContact CD1-CD1 4.09Å; I111-I125 HydrophobicContact CD1-CG1 3.46Å; I111-I125 VanDerWaalsContact CD1-CG1 3.46Å; I111-P157 HydrophobicContact CD1-CG 4.09Å; I111-P157 HydrophobicContact CG2-CG 4.28Å
112E96.2Very high91.4Very high93 Ų9346.3 Ų46.344%0.43526%0.263SS..Hα-helixtrans-53.2-48.9177.7179.9-168156.700111.9S108 R109 S116S108-E112 PolarHBondContact O-N 2.94Å; R109-E112 WeakPolarHBondContact CD-OE2 3.43Å; R109-E112 IonicContact CZ-OE2 2.78Å; R109-E112 IonicContact NE-OE2 3.4Å; R109-E112 IonicContact NH1-OE1 3.69Å; R109-E112 PolarHBondContact NH1-OE1 2.91Å; R109-E112 IonicContact NH1-OE2 3.49Å; R109-E112 PolarHBondContact NH1-OE2 2.97Å; R109-E112 PolarHBondContact O-N 3.45Å; E112-S116 WeakPolarHBondContact O-CB 3.49Å; E112-S116 PolarHBondContact O-N 2.95Å; E112-S116 VanDerWaalsContact O-N 3.09Å
113G96.6Very high91.3Very high1 Ų146.6 Ų46.61%0.0126%0.264CS..Hα-helixtrans-65.5-38.417700000112.8S79 G82 M83 R109 V110 I111 S116S79-G113 WeakPolarHBondContact O-CA 3.3Å; G82-G113 VanDerWaalsContact C-C 3.43Å; M83-G113 VanDerWaalsContact CA-O 3.27Å; M83-G113 WeakPolarHBondContact CA-O 3.4Å; M83-G113 WeakPolarHBondContact CG-O 3.27Å; M83-G113 VanDerWaalsContact N-C 3.31Å; M83-G113 PolarHBondContact N-O 3.24Å; R109-G113 PolarHBondContact O-N 3.1Å; V110-G113 PolarHBondContact O-N 2.91Å; I111-G113 VanDerWaalsContact C-N 3.32Å; I111-G113 PolarHBondContact O-N 2.84Å; G113-S116 PolarHBondContact O-N 2.97Å; G113-S116 PolarHBondContact O-OG 2.65Å
114Y96.2Very high91.2Very high23 Ų2350.4 Ų50.49%0.0928%0.281CS..Hα-helixtrans-67.1-41.1-179.2-177.2-94000112.3G82 L85 S86 V90 I92 V110 I111 V121 L123G82-Y114 WeakPolarHBondContact O-CA 3.35Å; L85-Y114 HydrophobicContact CB-CD2 3.87Å; L85-Y114 HydrophobicContact CB-CE2 4.25Å; S86-Y114 WeakPolarHBondContact CB-O 3.45Å; S86-Y114 PolarHBondContact OG-O 2.81Å; V90-Y114 WeakPolarHBondContact O-CE2 3.41Å; V90-Y114 PolarHBondContact O-OH 3.04Å; I92-Y114 HydrophobicContact CB-CE2 4.48Å; I92-Y114 HydrophobicContact CD1-CD2 3.75Å; I92-Y114 HydrophobicContact CD1-CE2 3.66Å; I92-Y114 HydrophobicContact CD1-CG 4.35Å; I92-Y114 HydrophobicContact CG1-CE2 3.98Å; V110-Y114 WeakPolarHBondContact O-CB 3.38Å; V110-Y114 PolarHBondContact O-N 3.17Å; I111-Y114 PolarHBondContact O-N 2.64Å; Y114-V121 HydrophobicContact CE1-CG2 4.5Å; Y114-L123 HydrophobicContact CD1-CD1 3.82Å; Y114-L123 HydrophobicContact CE1-CD1 4.07Å
115E94.9Very high91.2Very high60 Ų6050.3 Ų50.328%0.2828%0.28SS..Hα-helixtrans-85.1-7.4-179.4-65.2179.2173.600113.4I111 L117 N122 L123I111-E115 HydrophobicContact CG2-CG 4.25Å; I111-E115 WeakPolarHBondContact O-CB 3.29Å; I111-E115 PolarHBondContact O-N 3.21Å; E115-L117 PolarHBondContact O-N 2.99Å; E115-N122 WeakPolarHBondContact OE1-CA 3.3Å; E115-L123 WeakPolarHBondContact OE1-CB 3.43Å; E115-L123 PolarHBondContact OE1-N 3.24Å
116S90.7Very high91.2Very high72 Ų7249.8 Ų49.850%0.50328%0.278SS..THydrogen-bonded Turntrans-65.9-16.1174.972.60000114.3E112 G113E112-S116 WeakPolarHBondContact O-CB 3.49Å; E112-S116 PolarHBondContact O-N 2.95Å; E112-S116 VanDerWaalsContact O-N 3.09Å; G113-S116 PolarHBondContact O-N 2.97Å; G113-S116 PolarHBondContact O-OG 2.65Å
117L81Confident91.2Very high60 Ų6050.3 Ų50.331%0.31428%0.28SS..SBendtrans-100.5155.2176.3-61.8-175.8000109.8S86 K87 E115 H119S86-L117 WeakPolarHBondContact OG-CB 3.41Å; K87-L117 HydrophobicContact CB-CD1 4.14Å; E115-L117 PolarHBondContact O-N 2.99Å; L117-H119 PolarHBondContact O-N 2.9Å
118P69.1Low91.1Very high130 Ų13050.3 Ų50.384%0.84428%0.28SS*.SBendtrans-73.149.6-16127.1-36.4000116.4
119H72Confident91.1Very high96 Ų9651.4 Ų51.444%0.44428%0.283SS..  trans-120112.8175.9-58.649.4000106.6L117 V121L117-H119 PolarHBondContact O-N 2.9Å; H119-V121 PolarHBondContact O-N 3.02Å
120A63.8Low91.1Very high115 Ų11547.2 Ų47.295%0.9527%0.267SS*.  trans-71.989.8-178.400000110
121V81.9Confident91Very high56 Ų5647.2 Ų47.234%0.33927%0.267SS..  trans-121.5143.8167.4-164.90000106.6Y114 H119 L123Y114-V121 HydrophobicContact CE1-CG2 4.5Å; H119-V121 PolarHBondContact O-N 3.02Å; V121-L123 HydrophobicContact CG1-CD2 3.7Å; V121-L123 HydrophobicContact CG1-CG 3.75Å
122N91.7Very high91Very high116 Ų11648.3 Ų48.362%0.6227%0.271SS*.  trans-124.176.7176.517725.1000107.6E115 K124E115-N122 WeakPolarHBondContact OE1-CA 3.3Å; N122-K124 VanDerWaalsContact OD1-CE 3.25Å; N122-K124 WeakPolarHBondContact OD1-CE 3.39Å; N122-K124 PolarHBondContact OD1-NZ 3.5Å; N122-K124 VanDerWaalsContact OD1-NZ 3.07Å
123L96.2Very high91Very high8 Ų845.1 Ų45.14%0.04226%0.256CS..  trans-69.9141.3-179.7-65175.3000110.1I92 V95 I111 Y114 E115 V121I92-L123 HydrophobicContact CB-CD1 4.29Å; I92-L123 HydrophobicContact CG2-CD1 3.91Å; I92-L123 HydrophobicContact CG2-CD2 4.34Å; V95-L123 HydrophobicContact CG2-CB 4.34Å; V95-L123 HydrophobicContact CG2-CD1 4.12Å; I111-L123 HydrophobicContact CD1-CB 3.9Å; I111-L123 HydrophobicContact CG1-CB 3.95Å; I111-L123 HydrophobicContact CG1-CD1 4.19Å; I111-L123 HydrophobicContact CG2-CB 4.01Å; Y114-L123 HydrophobicContact CD1-CD1 3.82Å; Y114-L123 HydrophobicContact CE1-CD1 4.07Å; E115-L123 WeakPolarHBondContact OE1-CB 3.43Å; E115-L123 PolarHBondContact OE1-N 3.24Å; V121-L123 HydrophobicContact CG1-CD2 3.7Å; V121-L123 HydrophobicContact CG1-CG 3.75Å
124K97.8Very high90.9Very high81 Ų8146 Ų4635%0.35226%0.259SS..  trans-123.9144.6172.2-59.8-63.6176-160.20110.1N122 P157 D159N122-K124 VanDerWaalsContact OD1-CE 3.25Å; N122-K124 WeakPolarHBondContact OD1-CE 3.39Å; N122-K124 PolarHBondContact OD1-NZ 3.5Å; N122-K124 VanDerWaalsContact OD1-NZ 3.07Å; K124-P157 CarbonylContact C-O 3.53Å; K124-P157 VanDerWaalsContact CA-O 3.26Å; K124-P157 WeakPolarHBondContact CA-O 3.39Å; K124-P157 HydrophobicContact CD-CB 4.14Å; K124-D159 HydrophobicContact CB-CB 3.86Å
125I98.7Very high90.5Very high0 Ų046.6 Ų46.60%027%0.273CS..EExtended strand (participates in β ladder)trans-88.5121.3-178.3-58.1167.6000108.8V95 C97 A107 I111 I127 T156 P157 I158 D159V95-I125 HydrophobicContact CG1-CG1 4.35Å; V95-I125 WeakPolarHBondContact O-CA 3.26Å; C97-I125 HydrophobicContact CB-CG2 4.14Å; C97-I125 WeakPolarHBondContact SG-CG2 3.24Å; A107-I125 HydrophobicContact CB-CD1 3.8Å; A107-I125 HydrophobicContact CB-CG1 4.07Å; A107-I125 HydrophobicContact CB-CG2 4.33Å; I111-I125 HydrophobicContact CD1-CD1 4.09Å; I111-I125 HydrophobicContact CD1-CG1 3.46Å; I111-I125 VanDerWaalsContact CD1-CG1 3.46Å; I125-I127 HydrophobicContact CG2-CG1 4.24Å; I125-T156 HydrophobicContact CD1-CG2 4.08Å; I125-P157 HydrophobicContact CD1-CG 4.1Å; I125-P157 HydrophobicContact CG1-CG 4.45Å; I125-P157 PolarHBondContact N-O 3.28Å; I125-I158 HydrophobicContact CB-CD1 3.88Å; I125-I158 HydrophobicContact CD1-CD1 4.14Å; I125-I158 HydrophobicContact CG2-CD1 4.19Å; I125-D159 PolarHBondContact O-N 3.37Å
126Q98.3Very high90.2Very high21 Ų2147.9 Ų47.910%0.09828%0.276CS..EExtended strand (participates in β ladder)trans-93.8104.3173.2-67.4165.549.600108V95 F96 C97 E128 D159 Y162V95-Q126 PolarHBondContact O-N 3.03Å; F96-Q126 CarbonylContact C-O 3.6Å; F96-Q126 VanDerWaalsContact CA-O 3.27Å; F96-Q126 WeakPolarHBondContact CA-O 3.41Å; F96-Q126 HydrophobicContact CD1-CB 3.64Å; F96-Q126 HydrophobicContact CE1-CB 3.91Å; F96-Q126 HydrophobicContact CE1-CG 4.44Å; F96-Q126 HydrophobicContact CG-CB 4.31Å; C97-Q126 PolarHBondContact N-O 3.41Å; Q126-E128 PolarHBondContact O-N 3.21Å; Q126-D159 HydrophobicContact CG-CB 4.02Å; Q126-Y162 HydrophobicContact CB-CD1 3.7Å; Q126-Y162 HydrophobicContact CB-CD2 3.69Å; Q126-Y162 HydrophobicContact CB-CE1 3.95Å; Q126-Y162 HydrophobicContact CB-CE2 3.96Å; Q126-Y162 HydrophobicContact CB-CG 3.55Å; Q126-Y162 HydrophobicContact CG-CD1 4.39Å; Q126-Y162 HydrophobicContact CG-CD2 3.66Å; Q126-Y162 HydrophobicContact CG-CE2 4.26Å; Q126-Y162 HydrophobicContact CG-CG 3.72Å
127I98.6Very high89.7Confident11 Ų1146.4 Ų46.46%0.05627%0.271CS..EExtended strand (participates in β ladder)trans-76.8109.3-179.8-63.7174.9000108.5P99 V104 I125 P148 L151 I158 Y162 S164P99-I127 HydrophobicContact CB-CG2 3.78Å; V104-I127 HydrophobicContact CG2-CD1 4.19Å; V104-I127 HydrophobicContact CG2-CG1 4.46Å; I125-I127 HydrophobicContact CG2-CG1 4.24Å; I127-P148 HydrophobicContact CD1-CB 4.3Å; I127-P148 HydrophobicContact CD1-CG 4.15Å; I127-L151 HydrophobicContact CD1-CD1 3.61Å; I127-I158 HydrophobicContact CD1-CD1 3.87Å; I127-I158 HydrophobicContact CD1-CG2 4.3Å; I127-I158 HydrophobicContact CG1-CD1 4.3Å; I127-Y162 WeakPolarHBondContact O-CD1 3.28Å; I127-Y162 VanDerWaalsContact O-CE1 3.23Å; I127-Y162 WeakPolarHBondContact O-CE1 3.38Å; I127-S164 PolarHBondContact O-OG 3.31Å
128E98Very high89.9Confident0 Ų051.7 Ų51.70%029%0.287CS..  trans-105.5106.9177.517354.5-10700109.4C97 P99 Q126 G130 L131 Y162 V165 I166 V187 I191C97-E128 PolarHBondContact O-N 2.63Å; P99-E128 WeakPolarHBondContact CD-O 3.45Å; Q126-E128 PolarHBondContact O-N 3.21Å; E128-G130 PolarHBondContact O-N 3.09Å; E128-G130 PolarHBondContact OE1-N 2.83Å; E128-L131 HydrophobicContact CB-CD1 3.87Å; E128-L131 HydrophobicContact CB-CG 4.04Å; E128-L131 HydrophobicContact CG-CD1 4.19Å; E128-L131 HydrophobicContact CG-CG 3.84Å; E128-L131 WeakPolarHBondContact O-CB 3.31Å; E128-L131 PolarHBondContact O-N 3.02Å; E128-Y162 HydrophobicContact CB-CE1 4.1Å; E128-Y162 PolarHBondContact OE2-OH 3.45Å; E128-V165 PolarHBondContact OE1-N 2.98Å; E128-V165 PolarHBondContact OE2-N 3.38Å; E128-I166 PolarHBondContact OE1-N 3.48Å; E128-V187 HydrophobicContact CG-CG2 3.35Å; E128-I191 HydrophobicContact CG-CD1 4.46Å
129Q97.4Very high90.8Very high44 Ų4447 Ų4721%0.20626%0.262CS..G310 helixtrans-61.6-30.5-177.3-69.3170.617.900112.4P99 L131 Y132 S164 I166 N167 S168P99-Q129 HydrophobicContact CB-CG 4.26Å; P99-Q129 HydrophobicContact CG-CB 4.41Å; P99-Q129 HydrophobicContact CG-CG 4.23Å; Q129-L131 PolarHBondContact O-N 2.96Å; Q129-L131 VanDerWaalsContact O-N 3.12Å; Q129-Y132 WeakPolarHBondContact O-CB 3.45Å; Q129-Y132 PolarHBondContact O-N 3.01Å; Q129-Y132 VanDerWaalsContact O-N 3.12Å; Q129-S164 WeakPolarHBondContact CG-OG 3.45Å; Q129-S164 PolarHBondContact N-OG 2.88Å; Q129-S164 VanDerWaalsContact N-OG 3.08Å; Q129-I166 WeakPolarHBondContact CB-O 3.28Å; Q129-N167 VanDerWaalsContact OE1-CA 3.23Å; Q129-S168 PolarHBondContact OE1-OG 3.46Å
130G97.2Very high91.4Very high0 Ų050.2 Ų50.20%027%0.271CS..G310 helixtrans-61.5-16.4173.200000115.4E128 Y132 I166 R183E128-G130 PolarHBondContact O-N 3.09Å; E128-G130 PolarHBondContact OE1-N 2.83Å; G130-Y132 VanDerWaalsContact C-N 3.31Å; G130-I166 PolarHBondContact N-O 3.29Å; G130-R183 PolarHBondContact O-NH1 3.29Å
131L97.9Very high92.7Very high0 Ų049.7 Ų49.70%026%0.258CS..G310 helixtrans-84.42.5176.2-67.1175000113.7F96 S98 E128 Q129 V187 M188 I191 I203 T205F96-L131 HydrophobicContact CB-CD1 4.08Å; S98-L131 WeakPolarHBondContact CB-O 3.48Å; S98-L131 PolarHBondContact OG-O 2.83Å; E128-L131 HydrophobicContact CB-CD1 3.87Å; E128-L131 HydrophobicContact CB-CG 4.04Å; E128-L131 HydrophobicContact CG-CD1 4.19Å; E128-L131 HydrophobicContact CG-CG 3.84Å; E128-L131 WeakPolarHBondContact O-CB 3.31Å; E128-L131 PolarHBondContact O-N 3.02Å; Q129-L131 PolarHBondContact O-N 2.96Å; Q129-L131 VanDerWaalsContact O-N 3.12Å; L131-V187 HydrophobicContact CD2-CG1 4Å; L131-V187 HydrophobicContact CD2-CG2 4.01Å; L131-V187 HydrophobicContact CG-CG2 4.04Å; L131-M188 HydrophobicContact CD2-CE 3.55Å; L131-I191 HydrophobicContact CD1-CD1 4.08Å; L131-I191 HydrophobicContact CD2-CD1 4.05Å; L131-I191 HydrophobicContact CG-CD1 4.26Å; L131-I203 HydrophobicContact CD1-CG2 3.6Å; L131-I203 HydrophobicContact CD2-CG2 3.93Å; L131-I203 HydrophobicContact CG-CG2 4.42Å; L131-T205 PolarHBondContact O-OG1 2.85Å
132Y97.2Very high93.2Very high27 Ų2748.9 Ų48.911%0.10625%0.252CS..SBendtrans-65.4147.3173.3-167.5-111.3000112S98 P99 A100 Q129 G130 L142 P143 F145 R183 H206S98-Y132 WeakPolarHBondContact OG-CA 3.49Å; P99-Y132 HydrophobicContact CG-CD2 4.39Å; A100-Y132 HydrophobicContact CB-CD2 4.13Å; A100-Y132 HydrophobicContact CB-CE2 3.96Å; Q129-Y132 WeakPolarHBondContact O-CB 3.45Å; Q129-Y132 PolarHBondContact O-N 3.01Å; Q129-Y132 VanDerWaalsContact O-N 3.12Å; G130-Y132 VanDerWaalsContact C-N 3.31Å; Y132-L142 HydrophobicContact CD1-CD2 3.95Å; Y132-L142 HydrophobicContact CD1-CG 4.12Å; Y132-L142 HydrophobicContact CE1-CD2 4.42Å; Y132-L142 HydrophobicContact CE1-CG 4.11Å; Y132-P143 VanDerWaalsContact OH-CD 3.31Å; Y132-P143 WeakPolarHBondContact OH-CD 3.15Å; Y132-P143 WeakPolarHBondContact OH-CG 3.37Å; Y132-F145 HydrophobicContact CD1-CZ 4.16Å; Y132-F145 AromaticContact CD2-CE1 3.82Å; Y132-F145 HydrophobicContact CD2-CE1 3.82Å; Y132-F145 HydrophobicContact CD2-CE2 4.47Å; Y132-F145 AromaticContact CD2-CZ 3.43Å; Y132-F145 HydrophobicContact CD2-CZ 3.43Å; Y132-F145 VanDerWaalsContact CD2-CZ 3.43Å; Y132-F145 HydrophobicContact CE1-CZ 4.19Å; Y132-F145 AromaticContact CE2-CE1 3.6Å; Y132-F145 HydrophobicContact CE2-CE1 3.6Å; Y132-F145 AromaticContact CE2-CZ 3.48Å; Y132-F145 HydrophobicContact CE2-CZ 3.48Å; Y132-F145 VanDerWaalsContact CE2-CZ 3.48Å; Y132-F145 AromaticContact CG-CZ 3.8Å; Y132-F145 HydrophobicContact CG-CZ 3.8Å; Y132-F145 AromaticContact CZ-CZ 3.87Å; Y132-R183 PolarHBondContact O-NH1 3.37Å; Y132-R183 PolarHBondContact O-NH2 2.91Å; Y132-H206 AromaticContact CD2-NE2 3.94Å
133E95.2Very high93.4Very high27 Ų2744.1 Ų44.113%0.12623%0.227CC..PPolyproline II helixtrans-67.2169.5-177.962.4-176.1123.100113R102 R183 H206 P208R102-E133 IonicContact CZ-OE1 2.62Å; R102-E133 IonicContact NE-OE1 3.53Å; R102-E133 IonicContact NH2-OE1 3.77Å; R102-E133 PolarHBondContact NH2-OE1 2.96Å; E133-R183 PolarHBondContact O-NH2 2.54Å; E133-H206 HydrophobicContact CB-CB 3.81Å; E133-H206 PolarHBondContact N-CD2 3.48Å; E133-H206 IonicContact OE1-CE1 2.77Å; E133-H206 IonicContact OE1-CG 3.54Å; E133-H206 IonicContact OE1-ND1 3.56Å; E133-H206 PolarHBondContact OE1-ND1 3.37Å; E133-P208 HydrophobicContact CB-CB 4.38Å; E133-P208 HydrophobicContact CB-CG 4.18Å
134W94.3Very high93.3Very high19 Ų1950.4 Ų50.47%0.07225%0.251CS..PPolyproline II helixtrans-74.2135.9175.5-17434.5000110.8Y136 E175 Y177 F180 L224 W227W134-Y136 HydrophobicContact CD2-CD1 4.39Å; W134-Y136 HydrophobicContact CD2-CG 4.49Å; W134-Y136 VanDerWaalsContact CE2-CA 3.47Å; W134-Y136 AromaticContact CE3-CD1 3.58Å; W134-Y136 HydrophobicContact CE3-CD1 3.58Å; W134-Y136 HydrophobicContact CE3-CE1 4.04Å; W134-Y136 HydrophobicContact CE3-CG 4.1Å; W134-Y136 AromaticContact CZ3-CD1 3.72Å; W134-Y136 HydrophobicContact CZ3-CD1 3.72Å; W134-Y136 HydrophobicContact CZ3-CE1 4.4Å; W134-Y136 HydrophobicContact CZ3-CG 4.4Å; W134-Y136 WeakPolarHBondContact O-CD2 3.31Å; W134-Y136 VanDerWaalsContact O-CE2 3.27Å; W134-Y136 WeakPolarHBondContact O-CE2 3.34Å; W134-Y136 PolarHBondContact O-N 3.34Å; W134-E175 PolarHBondContact NE1-O 2.97Å; W134-Y177 HydrophobicContact CE3-CD2 4.21Å; W134-Y177 HydrophobicContact CH2-CD2 4.39Å; W134-Y177 HydrophobicContact CZ3-CD2 4.01Å; W134-F180 HydrophobicContact CB-CB 4.35Å; W134-F180 HydrophobicContact CB-CD1 4.07Å; W134-F180 HydrophobicContact CB-CD2 3.57Å; W134-F180 HydrophobicContact CB-CE1 4.3Å; W134-F180 HydrophobicContact CB-CE2 3.82Å; W134-F180 HydrophobicContact CB-CG 3.7Å; W134-F180 HydrophobicContact CB-CZ 4.18Å; W134-F180 HydrophobicContact CD2-CB 4.43Å; W134-F180 HydrophobicContact CD2-CG 4.45Å; W134-F180 HydrophobicContact CG-CB 3.93Å; W134-F180 HydrophobicContact CG-CD1 4.26Å; W134-F180 HydrophobicContact CG-CD2 4.07Å; W134-F180 AromaticContact CG-CG 3.79Å; W134-F180 HydrophobicContact CG-CG 3.79Å; W134-L224 HydrophobicContact CH2-CD1 4.18Å; W134-L224 HydrophobicContact CZ3-CD1 3.81Å; W134-W227 AromaticContact CE3-CH2 3.88Å; W134-W227 HydrophobicContact CE3-CH2 3.88Å; W134-W227 AromaticContact CE3-CZ3 3.89Å; W134-W227 HydrophobicContact CE3-CZ3 3.89Å; W134-W227 HydrophobicContact CZ3-CZ3 4.12Å
135G89.3Confident93.3Very high36 Ų3648.2 Ų48.237%0.37124%0.241SC..  trans-74.84.5173.200000114.7G137 R138G135-G137 PolarHBondContact O-N 3.45Å; G135-R138 PolarHBondContact O-N 3.45Å
136Y88.5Confident93.1Very high87 Ų8749.9 Ų49.934%0.34125%0.251SS..THydrogen-bonded Turntrans56.329.2-177.3-56.7-89.8000113.8W134 R138 W227W134-Y136 HydrophobicContact CD2-CD1 4.39Å; W134-Y136 HydrophobicContact CD2-CG 4.49Å; W134-Y136 VanDerWaalsContact CE2-CA 3.47Å; W134-Y136 AromaticContact CE3-CD1 3.58Å; W134-Y136 HydrophobicContact CE3-CD1 3.58Å; W134-Y136 HydrophobicContact CE3-CE1 4.04Å; W134-Y136 HydrophobicContact CE3-CG 4.1Å; W134-Y136 AromaticContact CZ3-CD1 3.72Å; W134-Y136 HydrophobicContact CZ3-CD1 3.72Å; W134-Y136 HydrophobicContact CZ3-CE1 4.4Å; W134-Y136 HydrophobicContact CZ3-CG 4.4Å; W134-Y136 WeakPolarHBondContact O-CD2 3.31Å; W134-Y136 VanDerWaalsContact O-CE2 3.27Å; W134-Y136 WeakPolarHBondContact O-CE2 3.34Å; W134-Y136 PolarHBondContact O-N 3.34Å; Y136-R138 PolarHBondContact O-N 2.98Å; Y136-R138 VanDerWaalsContact O-N 3.14Å; Y136-W227 HydrophobicContact CE1-CH2 4.16Å; Y136-W227 AromaticContact CE1-CZ3 3.93Å; Y136-W227 HydrophobicContact CE1-CZ3 3.93Å
137G80.6Confident93Very high40 Ų4054.8 Ų54.841%0.41227%0.274SS..THydrogen-bonded Turntrans59.921.3-178.200000114.2G135 G139G135-G137 PolarHBondContact O-N 3.45Å; G137-G139 VanDerWaalsContact C-N 3.28Å; G137-G139 PolarHBondContact O-N 2.95Å
138R84.8Confident92.9Very high172 Ų17256.6 Ų56.665%0.64929%0.286SS*.  trans-79.8-6.7-175.1-64.1-169.2-177.4-142.21.9113.9G135 Y136 Y140G135-R138 PolarHBondContact O-N 3.45Å; Y136-R138 PolarHBondContact O-N 2.98Å; Y136-R138 VanDerWaalsContact O-N 3.14Å; R138-Y140 HydrophobicContact CB-CD2 3.53Å; R138-Y140 HydrophobicContact CB-CE2 3.71Å; R138-Y140 HydrophobicContact CB-CG 4.37Å; R138-Y140 HydrophobicContact CG-CD2 4.46Å; R138-Y140 HydrophobicContact CG-CE2 4.36Å; R138-Y140 PolarHBondContact O-N 3.23Å
139G87.2Confident92.9Very high31 Ų3162.6 Ų62.632%0.3231%0.313SS..  trans69.711.7-178.500000113.8G137 P173G137-G139 VanDerWaalsContact C-N 3.28Å; G137-G139 PolarHBondContact O-N 2.95Å; G139-P173 WeakPolarHBondContact CA-O 3.31Å; G139-P173 PolarHBondContact N-O 3.44Å; G139-P173 VanDerWaalsContact N-O 3.16Å
140Y85.8Confident92.8Very high163 Ų16365 Ų6564%0.63933%0.326SS*.PPolyproline II helixtrans-76.2129.3174.3-64.9-52.7000109.6R138 P173R138-Y140 HydrophobicContact CB-CD2 3.53Å; R138-Y140 HydrophobicContact CB-CE2 3.71Å; R138-Y140 HydrophobicContact CB-CG 4.37Å; R138-Y140 HydrophobicContact CG-CD2 4.46Å; R138-Y140 HydrophobicContact CG-CE2 4.36Å; R138-Y140 PolarHBondContact O-N 3.23Å; Y140-P173 WeakPolarHBondContact O-CB 3.27Å
141P89.9Confident92.8Very high104 Ų10465.7 Ų65.768%0.67533%0.33SS*.PPolyproline II helixtrans-59.2149.8178.526.4-34.3000110.3
142L93.7Very high92.8Very high40 Ų4067.3 Ų67.321%0.20934%0.343CS..PPolyproline II helixtrans-60.8146172.8-81.672.6000109.5Y132 F145 I171Y132-L142 HydrophobicContact CD1-CD2 3.95Å; Y132-L142 HydrophobicContact CD1-CG 4.12Å; Y132-L142 HydrophobicContact CE1-CD2 4.42Å; Y132-L142 HydrophobicContact CE1-CG 4.11Å; L142-F145 HydrophobicContact CB-CE2 4.42Å; L142-F145 HydrophobicContact CD2-CE2 4.26Å; L142-I171 HydrophobicContact CD1-CB 4.42Å; L142-I171 HydrophobicContact CD1-CG2 4.24Å; L142-I171 HydrophobicContact CD2-CB 3.99Å; L142-I171 HydrophobicContact CD2-CD1 4.16Å; L142-I171 HydrophobicContact CD2-CG2 4.19Å
143P95Very high92.8Very high15 Ų1572.1 Ų72.110%0.09737%0.367CS..PPolyproline II helixtrans-59152.8174.9-21.431.8000112.1S66 D67 Y132 F145S66-P143 VanDerWaalsContact O-CG 3.3Å; S66-P143 WeakPolarHBondContact O-CG 3.37Å; D67-P143 HydrophobicContact CB-CB 3.68Å; D67-P143 HydrophobicContact CB-CG 4.23Å; Y132-P143 VanDerWaalsContact OH-CD 3.31Å; Y132-P143 WeakPolarHBondContact OH-CD 3.15Å; Y132-P143 WeakPolarHBondContact OH-CG 3.37Å; P143-F145 VanDerWaalsContact C-N 3.35Å; P143-F145 HydrophobicContact CB-CD1 4.29Å; P143-F145 HydrophobicContact CB-CE1 3.94Å; P143-F145 HydrophobicContact CB-CZ 4.41Å; P143-F145 HydrophobicContact CG-CE1 4.02Å; P143-F145 HydrophobicContact CG-CZ 4.31Å; P143-F145 PolarHBondContact O-N 2.94Å
144R94.8Very high92.7Very high141 Ų14174 Ų7453%0.53239%0.393SS..  trans-75.389.1170.2-168.7170.870.1110.11.1109.4R53 D63R53-R144 PolarHBondContact O-NH2 2.99Å; D63-R144 IonicContact OD1-CZ 2.76Å; D63-R144 IonicContact OD1-NE 3.14Å; D63-R144 PolarHBondContact OD1-NE 3.44Å; D63-R144 VanDerWaalsContact OD1-NE 3.14Å; D63-R144 IonicContact OD1-NH2 3.97Å; D63-R144 IonicContact OD2-CZ 2.89Å; D63-R144 IonicContact OD2-NE 3.71Å; D63-R144 IonicContact OD2-NH2 2.93Å; D63-R144 PolarHBondContact OD2-NH2 3.36Å
145F96.4Very high92.7Very high34 Ų3476.2 Ų76.215%0.14942%0.422CS..PPolyproline II helixtrans-64.3147.1-179.6-55.2-60.5000111.7P99 Y132 L142 P143P99-F145 HydrophobicContact CB-CB 4.1Å; P99-F145 HydrophobicContact CB-CD1 4.03Å; P99-F145 HydrophobicContact CB-CD2 3.74Å; P99-F145 HydrophobicContact CB-CE1 4.42Å; P99-F145 HydrophobicContact CB-CE2 4.14Å; P99-F145 HydrophobicContact CB-CG 3.68Å; P99-F145 HydrophobicContact CB-CZ 4.47Å; P99-F145 HydrophobicContact CG-CD1 4.25Å; P99-F145 HydrophobicContact CG-CD2 3.74Å; P99-F145 HydrophobicContact CG-CE1 4.15Å; P99-F145 HydrophobicContact CG-CE2 3.61Å; P99-F145 HydrophobicContact CG-CG 4.07Å; P99-F145 HydrophobicContact CG-CZ 3.83Å; P99-F145 WeakPolarHBondContact O-CD1 3.34Å; Y132-F145 HydrophobicContact CD1-CZ 4.16Å; Y132-F145 AromaticContact CD2-CE1 3.82Å; Y132-F145 HydrophobicContact CD2-CE1 3.82Å; Y132-F145 HydrophobicContact CD2-CE2 4.47Å; Y132-F145 AromaticContact CD2-CZ 3.43Å; Y132-F145 HydrophobicContact CD2-CZ 3.43Å; Y132-F145 VanDerWaalsContact CD2-CZ 3.43Å; Y132-F145 HydrophobicContact CE1-CZ 4.19Å; Y132-F145 AromaticContact CE2-CE1 3.6Å; Y132-F145 HydrophobicContact CE2-CE1 3.6Å; Y132-F145 AromaticContact CE2-CZ 3.48Å; Y132-F145 HydrophobicContact CE2-CZ 3.48Å; Y132-F145 VanDerWaalsContact CE2-CZ 3.48Å; Y132-F145 AromaticContact CG-CZ 3.8Å; Y132-F145 HydrophobicContact CG-CZ 3.8Å; Y132-F145 AromaticContact CZ-CZ 3.87Å; L142-F145 HydrophobicContact CB-CE2 4.42Å; L142-F145 HydrophobicContact CD2-CE2 4.26Å; P143-F145 VanDerWaalsContact C-N 3.35Å; P143-F145 HydrophobicContact CB-CD1 4.29Å; P143-F145 HydrophobicContact CB-CE1 3.94Å; P143-F145 HydrophobicContact CB-CZ 4.41Å; P143-F145 HydrophobicContact CG-CE1 4.02Å; P143-F145 HydrophobicContact CG-CZ 4.31Å; P143-F145 PolarHBondContact O-N 2.94Å
146V96Very high93.1Very high35 Ų3575.8 Ų75.821%0.21241%0.412CS..PPolyproline II helixtrans-71.2134.7176.9-175.10000109.7R53 M101 L150 L151R53-V146 HydrophobicContact CG-CG2 4.41Å; M101-V146 HydrophobicContact CE-CB 4.04Å; M101-V146 HydrophobicContact CE-CG2 3.44Å; M101-V146 VanDerWaalsContact CE-CG2 3.44Å; V146-L150 HydrophobicContact CG1-CB 4.07Å; V146-L151 HydrophobicContact CB-CD1 4.41Å; V146-L151 HydrophobicContact CB-CD2 4.15Å; V146-L151 HydrophobicContact CB-CG 4.12Å; V146-L151 HydrophobicContact CG1-CD2 3.98Å; V146-L151 HydrophobicContact CG1-CG 3.82Å
147E95.4Very high93.5Very high125 Ų12572.8 Ų72.858%0.58440%0.403SS*.PPolyproline II helixtrans-61.7140.3-178.8-66.5-172175.300112.4K149 L150 L151E147-K149 PolarHBondContact O-N 3.46Å; E147-K149 VanDerWaalsContact O-N 3.14Å; E147-L150 HydrophobicContact CB-CD1 4.24Å; E147-L150 HydrophobicContact CB-CG 4.29Å; E147-L150 PolarHBondContact O-N 3.16Å; E147-L150 VanDerWaalsContact O-N 3.1Å; E147-L151 PolarHBondContact O-N 2.91Å; E147-L151 VanDerWaalsContact O-N 3.07Å
148P97.3Very high94.4Very high48 Ų4871.5 Ų71.531%0.31239%0.387SS..Hα-helixtrans-50.4-39177.4-30.435.9000114.2I127 L151 A152 I158I127-P148 HydrophobicContact CD1-CB 4.3Å; I127-P148 HydrophobicContact CD1-CG 4.15Å; P148-L151 PolarHBondContact O-N 2.77Å; P148-A152 WeakPolarHBondContact O-CB 3.48Å; P148-A152 PolarHBondContact O-N 2.86Å; P148-I158 HydrophobicContact CB-CG2 3.81Å
149K97.1Very high95Very high127 Ų12765.5 Ų65.555%0.55237%0.367SS*.Hα-helixtrans-65.9-45.7179.7-171.8-177.2176.6-1650112.1E147 L151 A152 E153E147-K149 PolarHBondContact O-N 3.46Å; E147-K149 VanDerWaalsContact O-N 3.14Å; K149-L151 VanDerWaalsContact C-N 3.31Å; K149-L151 PolarHBondContact O-N 3.37Å; K149-A152 WeakPolarHBondContact O-CB 3.46Å; K149-A152 PolarHBondContact O-N 3.34Å; K149-A152 VanDerWaalsContact O-N 3.15Å; K149-E153 WeakPolarHBondContact CE-OE1 3.41Å; K149-E153 IonicContact NZ-OE1 2.73Å; K149-E153 WeakPolarHBondContact O-CG 3.16Å; K149-E153 PolarHBondContact O-N 3.27Å
150L95.9Very high95.5Very high93 Ų9368 Ų6849%0.48737%0.373SS..Hα-helixtrans-64-38.5177.3-66.3175.8000111.5V146 E147 A152 E153 G154V146-L150 HydrophobicContact CG1-CB 4.07Å; E147-L150 HydrophobicContact CB-CD1 4.24Å; E147-L150 HydrophobicContact CB-CG 4.29Å; E147-L150 PolarHBondContact O-N 3.16Å; E147-L150 VanDerWaalsContact O-N 3.1Å; L150-A152 VanDerWaalsContact C-N 3.33Å; L150-A152 PolarHBondContact O-N 3Å; L150-E153 PolarHBondContact O-N 3.46Å; L150-G154 PolarHBondContact O-N 3.28Å
151L97.1Very high96.1Very high16 Ų1669.4 Ų69.48%0.08438%0.378CS..Hα-helixtrans-61.4-41.8173.2-71167.3000111.8M101 V104 I127 V146 E147 P148 K149 G154 G155 T156 I158M101-L151 HydrophobicContact CE-CD2 4Å; M101-L151 HydrophobicContact SD-CD2 4.38Å; V104-L151 HydrophobicContact CG1-CD1 4.01Å; V104-L151 HydrophobicContact CG1-CD2 4.25Å; V104-L151 HydrophobicContact CG2-CD1 4.43Å; I127-L151 HydrophobicContact CD1-CD1 3.61Å; V146-L151 HydrophobicContact CB-CD1 4.41Å; V146-L151 HydrophobicContact CB-CD2 4.15Å; V146-L151 HydrophobicContact CB-CG 4.12Å; V146-L151 HydrophobicContact CG1-CD2 3.98Å; V146-L151 HydrophobicContact CG1-CG 3.82Å; E147-L151 PolarHBondContact O-N 2.91Å; E147-L151 VanDerWaalsContact O-N 3.07Å; P148-L151 PolarHBondContact O-N 2.77Å; K149-L151 VanDerWaalsContact C-N 3.31Å; K149-L151 PolarHBondContact O-N 3.37Å; L151-G154 CarbonylContact O-C 3.58Å; L151-G154 PolarHBondContact O-N 3.27Å; L151-G155 PolarHBondContact O-N 2.98Å; L151-T156 WeakPolarHBondContact O-CB 3.37Å; L151-T156 PolarHBondContact O-N 2.87Å; L151-T156 PolarHBondContact O-OG1 3.42Å; L151-I158 HydrophobicContact CB-CD1 4.33Å; L151-I158 HydrophobicContact CB-CG1 3.76Å
152A97.6Very high96.4Very high33 Ų3366 Ų6627%0.27335%0.352SS..Hα-helixtrans-66-44177.300000112.6P148 K149 L150 G154 G155 T156 I158 I160P148-A152 WeakPolarHBondContact O-CB 3.48Å; P148-A152 PolarHBondContact O-N 2.86Å; K149-A152 WeakPolarHBondContact O-CB 3.46Å; K149-A152 PolarHBondContact O-N 3.34Å; K149-A152 VanDerWaalsContact O-N 3.15Å; L150-A152 VanDerWaalsContact C-N 3.33Å; L150-A152 PolarHBondContact O-N 3Å; A152-G154 PolarHBondContact O-N 3.38Å; A152-G155 WeakPolarHBondContact O-CA 3.35Å; A152-G155 PolarHBondContact O-N 3.2Å; A152-T156 WeakPolarHBondContact CA-O 3.44Å; A152-I158 HydrophobicContact CB-CB 4.17Å; A152-I160 HydrophobicContact CB-CG2 3.68Å
153E96.1Very high96.5Very high129 Ų12972.6 Ų72.660%0.60338%0.379SS*.Hα-helixtrans-60.3-32.9173.7-71.7170.4-174.800111.6K149 L150 G155K149-E153 WeakPolarHBondContact CE-OE1 3.41Å; K149-E153 IonicContact NZ-OE1 2.73Å; K149-E153 WeakPolarHBondContact O-CG 3.16Å; K149-E153 PolarHBondContact O-N 3.27Å; L150-E153 PolarHBondContact O-N 3.46Å; E153-G155 PolarHBondContact O-N 3.32Å
154G94Very high96.6Very high66 Ų6672.8 Ų72.868%0.6838%0.381SS*.THydrogen-bonded Turntrans-74.74.2171.100000115.3L150 L151 A152L150-G154 PolarHBondContact O-N 3.28Å; L151-G154 CarbonylContact O-C 3.58Å; L151-G154 PolarHBondContact O-N 3.27Å; A152-G154 PolarHBondContact O-N 3.38Å
155G95.1Very high96.6Very high65 Ų6569.5 Ų69.567%0.6738%0.376SS*.THydrogen-bonded Turntrans86.46.8177.400000115.2L151 A152 E153L151-G155 PolarHBondContact O-N 2.98Å; A152-G155 WeakPolarHBondContact O-CA 3.35Å; A152-G155 PolarHBondContact O-N 3.2Å; E153-G155 PolarHBondContact O-N 3.32Å
156T97.1Very high96.5Very high28 Ų2869 Ų6917%0.17238%0.375CS..  trans-72.9135172.9-51.90000109.1V104 I125 L151 A152 I158V104-T156 HydrophobicContact CG1-CG2 3.99Å; I125-T156 HydrophobicContact CD1-CG2 4.08Å; L151-T156 WeakPolarHBondContact O-CB 3.37Å; L151-T156 PolarHBondContact O-N 2.87Å; L151-T156 PolarHBondContact O-OG1 3.42Å; A152-T156 WeakPolarHBondContact CA-O 3.44Å; T156-I158 HydrophobicContact CG2-CD1 3.51Å; T156-I158 HydrophobicContact CG2-CG1 3.87Å; T156-I158 PolarHBondContact O-N 3.39Å
157P97.7Very high96.4Very high24 Ų2470.7 Ų70.716%0.15638%0.383CS..  trans-76.469.6-176.532.2-36.5000111.3S108 I111 K124 I125S108-P157 WeakPolarHBondContact OG-CD 3.39Å; I111-P157 HydrophobicContact CD1-CG 4.09Å; I111-P157 HydrophobicContact CG2-CG 4.28Å; K124-P157 CarbonylContact C-O 3.53Å; K124-P157 VanDerWaalsContact CA-O 3.26Å; K124-P157 WeakPolarHBondContact CA-O 3.39Å; K124-P157 HydrophobicContact CD-CB 4.14Å; I125-P157 HydrophobicContact CD1-CG 4.1Å; I125-P157 HydrophobicContact CG1-CG 4.45Å; I125-P157 PolarHBondContact N-O 3.28Å
158I98.5Very high96.2Very high13 Ų1366.6 Ų66.67%0.06737%0.368CS..BIsolated β-bridgetrans-88.2141.2-178.7-56.4-56.6000110.9V104 I125 I127 P148 L151 A152 T156 I160V104-I158 HydrophobicContact CG1-CD1 4.24Å; I125-I158 HydrophobicContact CB-CD1 3.88Å; I125-I158 HydrophobicContact CD1-CD1 4.14Å; I125-I158 HydrophobicContact CG2-CD1 4.19Å; I127-I158 HydrophobicContact CD1-CD1 3.87Å; I127-I158 HydrophobicContact CD1-CG2 4.3Å; I127-I158 HydrophobicContact CG1-CD1 4.3Å; P148-I158 HydrophobicContact CB-CG2 3.81Å; L151-I158 HydrophobicContact CB-CD1 4.33Å; L151-I158 HydrophobicContact CB-CG1 3.76Å; A152-I158 HydrophobicContact CB-CB 4.17Å; T156-I158 HydrophobicContact CG2-CD1 3.51Å; T156-I158 HydrophobicContact CG2-CG1 3.87Å; T156-I158 PolarHBondContact O-N 3.39Å; I158-I160 HydrophobicContact CG2-CG2 4.28Å; I158-I160 PolarHBondContact O-N 3.34Å
159D98.1Very high95.9Very high45 Ų4569 Ų6924%0.24139%0.386CS..  trans-82.697.4161.9-175.8-8.5000108.8K124 I125 Q126 Y161 Y162K124-D159 HydrophobicContact CB-CB 3.86Å; I125-D159 PolarHBondContact O-N 3.37Å; Q126-D159 HydrophobicContact CG-CB 4.02Å; D159-Y161 PolarHBondContact O-N 3.24Å; D159-Y161 PolarHBondContact OD1-N 3.03Å; D159-Y162 PolarHBondContact O-N 2.93Å; D159-Y162 PolarHBondContact OD1-N 3.28Å
160I97.6Very high95.7Very high84 Ų8468 Ų6843%0.43139%0.387SS..THydrogen-bonded Turntrans-71.7-10.2-178.263.3169.7000113.5A152 I158A152-I160 HydrophobicContact CB-CG2 3.68Å; I158-I160 HydrophobicContact CG2-CG2 4.28Å; I158-I160 PolarHBondContact O-N 3.34Å
161Y97.2Very high95.7Very high193 Ų19364 Ų6476%0.75737%0.366SS*.THydrogen-bonded Turntrans-96.3-14.9179-59.3-70.5000112.4D159 K163D159-Y161 PolarHBondContact O-N 3.24Å; D159-Y161 PolarHBondContact OD1-N 3.03Å; Y161-K163 PolarHBondContact O-N 2.98Å
162Y97.3Very high95.5Very high31 Ų3165.9 Ų65.912%0.12238%0.38CS..  trans-62.9130.6173.2-177.4-101.4000111F96 Q126 I127 E128 D159F96-Y162 HydrophobicContact CD1-CE2 4.34Å; F96-Y162 AromaticContact CE1-CE2 3.76Å; F96-Y162 HydrophobicContact CE1-CE2 3.76Å; F96-Y162 AromaticContact CE1-CZ 3.86Å; Q126-Y162 HydrophobicContact CB-CD1 3.7Å; Q126-Y162 HydrophobicContact CB-CD2 3.69Å; Q126-Y162 HydrophobicContact CB-CE1 3.95Å; Q126-Y162 HydrophobicContact CB-CE2 3.96Å; Q126-Y162 HydrophobicContact CB-CG 3.55Å; Q126-Y162 HydrophobicContact CG-CD1 4.39Å; Q126-Y162 HydrophobicContact CG-CD2 3.66Å; Q126-Y162 HydrophobicContact CG-CE2 4.26Å; Q126-Y162 HydrophobicContact CG-CG 3.72Å; I127-Y162 WeakPolarHBondContact O-CD1 3.28Å; I127-Y162 VanDerWaalsContact O-CE1 3.23Å; I127-Y162 WeakPolarHBondContact O-CE1 3.38Å; E128-Y162 HydrophobicContact CB-CE1 4.1Å; E128-Y162 PolarHBondContact OE2-OH 3.45Å; D159-Y162 PolarHBondContact O-N 2.93Å; D159-Y162 PolarHBondContact OD1-N 3.28Å
163K95.6Very high95.3Very high180 Ų18066 Ų6678%0.78338%0.378SS*.  trans-110.4123.5173.8-64-176.5-179.7-178.50108.4Y161Y161-K163 PolarHBondContact O-N 2.98Å
164S96.8Very high95.2Very high18 Ų1865.1 Ų65.113%0.12637%0.374CS..  trans-56.6140.5173.5-58.90000110.2I127 Q129I127-S164 PolarHBondContact O-OG 3.31Å; Q129-S164 WeakPolarHBondContact CG-OG 3.45Å; Q129-S164 PolarHBondContact N-OG 2.88Å; Q129-S164 VanDerWaalsContact N-OG 3.08Å
165V94.8Very high95.2Very high72 Ų7262.6 Ų62.644%0.43634%0.344SS..SBendtrans-77.4-32.3177.6-177.80000110.7E128 A190E128-V165 PolarHBondContact OE1-N 2.98Å; E128-V165 PolarHBondContact OE2-N 3.38Å; V165-A190 HydrophobicContact CB-CB 3.95Å; V165-A190 HydrophobicContact CG1-CB 3.61Å; V165-A190 HydrophobicContact CG2-CB 3.79Å
166I94.8Very high95.2Very high24 Ų2462.8 Ų62.812%0.12333%0.332CS..SBendtrans-118.6119.8175.2-56.6-178.1000107E128 Q129 G130 I171 R183 N186 V187E128-I166 PolarHBondContact OE1-N 3.48Å; Q129-I166 WeakPolarHBondContact CB-O 3.28Å; G130-I166 PolarHBondContact N-O 3.29Å; I166-I171 HydrophobicContact CG2-CG1 4.2Å; I166-R183 HydrophobicContact CD1-CG 3.81Å; I166-N186 HydrophobicContact CD1-CB 4.07Å; I166-V187 HydrophobicContact CD1-CB 4.01Å
167N94.4Very high95.2Very high71 Ų7163 Ų6338%0.3833%0.33SS..  trans-82.1150.6176.6-60.1-74.4000110.6Q129 S169 D170Q129-N167 VanDerWaalsContact OE1-CA 3.23Å; N167-S169 WeakPolarHBondContact CB-OG 3.29Å; N167-S169 PolarHBondContact O-N 3.5Å; N167-D170 WeakPolarHBondContact CB-OD2 3.27Å; N167-D170 PolarHBondContact N-OD2 3.03Å; N167-D170 WeakPolarHBondContact O-CB 3.38Å; N167-D170 PolarHBondContact O-N 3.42Å
168S91.2Very high95.1Very high38 Ų3865.1 Ų65.127%0.26635%0.35SS..G310 helixtrans-63.3-26.3177.157.10000112.1Q129 D170 I171Q129-S168 PolarHBondContact OE1-OG 3.46Å; S168-D170 PolarHBondContact O-N 3.25Å; S168-I171 PolarHBondContact O-N 3.36Å
169S90.8Very high95Very high99 Ų9967.9 Ų67.969%0.69236%0.363SS*.G310 helixtrans-62.2-24.2170.955.20000113.2N167N167-S169 WeakPolarHBondContact CB-OG 3.29Å; N167-S169 PolarHBondContact O-N 3.5Å
170D93.2Very high94.9Very high107 Ų10765.8 Ų65.857%0.57235%0.351SS*.G310 helixtrans-93.1-2.9-177.2-49.1-31.5000111.7N167 S168N167-D170 WeakPolarHBondContact CB-OD2 3.27Å; N167-D170 PolarHBondContact N-OD2 3.03Å; N167-D170 WeakPolarHBondContact O-CB 3.38Å; N167-D170 PolarHBondContact O-N 3.42Å; S168-D170 PolarHBondContact O-N 3.25Å
171I94.3Very high94.8Very high9 Ų962.5 Ų62.55%0.04634%0.335CS..SBendtrans-96.3109.6178-53.1178.7000108.5L142 I166 S168L142-I171 HydrophobicContact CD1-CB 4.42Å; L142-I171 HydrophobicContact CD1-CG2 4.24Å; L142-I171 HydrophobicContact CD2-CB 3.99Å; L142-I171 HydrophobicContact CD2-CD1 4.16Å; L142-I171 HydrophobicContact CD2-CG2 4.19Å; I166-I171 HydrophobicContact CG2-CG1 4.2Å; S168-I171 PolarHBondContact O-N 3.36Å
172S94Very high94.8Very high54 Ų5460.4 Ų60.438%0.37833%0.326SS..  trans-65.9134.2177.4165.60000111.4E174 E175S172-E174 PolarHBondContact O-N 3.48Å; S172-E174 PolarHBondContact OG-N 3.05Å; S172-E174 PolarHBondContact OG-OE2 3.3Å; S172-E175 WeakPolarHBondContact O-CB 3.05Å; S172-E175 PolarHBondContact O-N 3.43Å; S172-E175 VanDerWaalsContact O-N 3.1Å; S172-E175 PolarHBondContact OG-N 3.37Å
173P92.2Very high94.8Very high36 Ų3659.6 Ų59.623%0.23432%0.322CS..THydrogen-bonded Turntrans-58.1-26.3168.6-27.337.2000114.2G139 Y140G139-P173 WeakPolarHBondContact CA-O 3.31Å; G139-P173 PolarHBondContact N-O 3.44Å; G139-P173 VanDerWaalsContact N-O 3.16Å; Y140-P173 WeakPolarHBondContact O-CB 3.27Å
174E93.8Very high94.8Very high111 Ų11151 Ų5152%0.51929%0.285SS..THydrogen-bonded Turntrans-96.18.6178.9-55.473.3-158.100112.8S172 T176S172-E174 PolarHBondContact O-N 3.48Å; S172-E174 PolarHBondContact OG-N 3.05Å; S172-E174 PolarHBondContact OG-OE2 3.3Å; E174-T176 PolarHBondContact O-N 3.34Å
175E95.2Very high94.9Very high12 Ų1253.6 Ų53.66%0.05629%0.294CS..  trans-42.9126.6179.8179.3-179.7-124.700110.5W134 S172 E179 F180 R183W134-E175 PolarHBondContact NE1-O 2.97Å; S172-E175 WeakPolarHBondContact O-CB 3.05Å; S172-E175 PolarHBondContact O-N 3.43Å; S172-E175 VanDerWaalsContact O-N 3.1Å; S172-E175 PolarHBondContact OG-N 3.37Å; E175-E179 HydrophobicContact CG-CB 3.69Å; E175-F180 VanDerWaalsContact CD-CA 3.44Å; E175-F180 HydrophobicContact CG-CB 4.09Å; E175-F180 WeakPolarHBondContact OE1-CA 3.43Å; E175-F180 PolarHBondContact OE1-N 3.04Å; E175-R183 IonicContact OE1-CZ 2.95Å; E175-R183 IonicContact OE1-NE 3.63Å; E175-R183 PolarHBondContact OE1-NE 2.93Å; E175-R183 IonicContact OE1-NH2 3.74Å; E175-R183 IonicContact OE2-CZ 3.13Å; E175-R183 IonicContact OE2-NE 3.58Å; E175-R183 PolarHBondContact OE2-NE 3.45Å; E175-R183 IonicContact OE2-NH2 3.09Å; E175-R183 PolarHBondContact OE2-NH2 3.48Å
176T95.5Very high95Very high69 Ų6953.4 Ų53.442%0.42329%0.291SS..  trans-78.2163.7175.762.90000110.8E174 A178 E179 F180E174-T176 PolarHBondContact O-N 3.34Å; T176-A178 PolarHBondContact O-N 3.4Å; T176-E179 WeakPolarHBondContact CB-OE2 3.46Å; T176-E179 WeakPolarHBondContact CG2-OE2 3.36Å; T176-E179 PolarHBondContact N-OE2 2.89Å; T176-E179 PolarHBondContact O-N 2.77Å; T176-E179 VanDerWaalsContact O-N 3.1Å; T176-E179 VanDerWaalsContact OG1-CD 3.3Å; T176-E179 VanDerWaalsContact OG1-CG 3.24Å; T176-E179 WeakPolarHBondContact OG1-CG 3.45Å; T176-E179 PolarHBondContact OG1-N 3.14Å; T176-E179 PolarHBondContact OG1-OE2 2.95Å; T176-F180 WeakPolarHBondContact O-CB 3.41Å; T176-F180 PolarHBondContact O-N 3.48Å
177Y95.7Very high95.1Very high32 Ų3252.3 Ų52.313%0.12529%0.285CS..Hα-helixtrans-57.7-35175.6-178.2-120000112.9W134 F180 N181 K222 L224 W227W134-Y177 HydrophobicContact CE3-CD2 4.21Å; W134-Y177 HydrophobicContact CH2-CD2 4.39Å; W134-Y177 HydrophobicContact CZ3-CD2 4.01Å; Y177-F180 HydrophobicContact CD2-CD1 4.2Å; Y177-F180 HydrophobicContact CE2-CD1 4.28Å; Y177-N181 WeakPolarHBondContact CE1-ND2 3.39Å; Y177-N181 VanDerWaalsContact CZ-ND2 3.31Å; Y177-N181 WeakPolarHBondContact O-CB 3.47Å; Y177-N181 VanDerWaalsContact O-CG 3.29Å; Y177-N181 PolarHBondContact O-N 3.35Å; Y177-N181 PolarHBondContact O-ND2 3.38Å; Y177-N181 VanDerWaalsContact O-ND2 3.12Å; Y177-K222 WeakPolarHBondContact CE1-O 3.43Å; Y177-K222 PolarHBondContact OH-O 3.03Å; Y177-L224 HydrophobicContact CD1-CB 4.31Å; Y177-L224 HydrophobicContact CD1-CD1 4.13Å; Y177-L224 HydrophobicContact CD2-CD1 3.77Å; Y177-L224 HydrophobicContact CE1-CB 4.42Å; Y177-L224 HydrophobicContact CE1-CD1 4.42Å; Y177-L224 HydrophobicContact CE2-CD1 4.11Å; Y177-L224 HydrophobicContact CG-CD1 3.79Å; Y177-W227 AromaticContact CE2-CD2 3.66Å; Y177-W227 HydrophobicContact CE2-CD2 3.66Å; Y177-W227 AromaticContact CE2-CE2 3.88Å; Y177-W227 AromaticContact CE2-CE3 3.94Å; Y177-W227 HydrophobicContact CE2-CE3 3.94Å; Y177-W227 AromaticContact CE2-CG 3.93Å; Y177-W227 HydrophobicContact CE2-CG 3.93Å; Y177-W227 HydrophobicContact CE2-CZ2 4.31Å; Y177-W227 HydrophobicContact CE2-CZ3 4.41Å; Y177-W227 AromaticContact CZ-CG 3.88Å; Y177-W227 WeakPolarHBondContact OH-CB 3.37Å; Y177-W227 VanDerWaalsContact OH-CD1 3.28Å
178A95.5Very high95.2Very high70 Ų7049 Ų4958%0.57927%0.267SS*.Hα-helixtrans-67.3-41.3176.800000111.9T176 N181 R182T176-A178 PolarHBondContact O-N 3.4Å; A178-N181 PolarHBondContact O-N 3.29Å; A178-R182 PolarHBondContact O-N 3.47Å
179E96.2Very high95.5Very high70 Ų7050.2 Ų50.233%0.32727%0.269SS..Hα-helixtrans-69.5-40.1177.4-68.1167.7135.500111.7E175 T176 N181 R182 R183E175-E179 HydrophobicContact CG-CB 3.69Å; T176-E179 WeakPolarHBondContact CB-OE2 3.46Å; T176-E179 WeakPolarHBondContact CG2-OE2 3.36Å; T176-E179 PolarHBondContact N-OE2 2.89Å; T176-E179 PolarHBondContact O-N 2.77Å; T176-E179 VanDerWaalsContact O-N 3.1Å; T176-E179 VanDerWaalsContact OG1-CD 3.3Å; T176-E179 VanDerWaalsContact OG1-CG 3.24Å; T176-E179 WeakPolarHBondContact OG1-CG 3.45Å; T176-E179 PolarHBondContact OG1-N 3.14Å; T176-E179 PolarHBondContact OG1-OE2 2.95Å; E179-N181 VanDerWaalsContact C-N 3.33Å; E179-N181 PolarHBondContact O-N 3.38Å; E179-R182 CarbonylContact O-C 3.6Å; E179-R182 WeakPolarHBondContact O-CB 3.48Å; E179-R182 PolarHBondContact O-N 3.21Å; E179-R182 VanDerWaalsContact O-N 3.11Å; E179-R182 IonicContact OE1-NH2 3.99Å; E179-R183 PolarHBondContact O-N 3.24Å
180F96.5Very high95.8Very high1 Ų146.1 Ų46.10%0.00424%0.241CC..Hα-helixtrans-57.2-44.8171.1170.1-109.4000112W134 E175 T176 Y177 R182 R183 S184 P208 L209 W227W134-F180 HydrophobicContact CB-CB 4.35Å; W134-F180 HydrophobicContact CB-CD1 4.07Å; W134-F180 HydrophobicContact CB-CD2 3.57Å; W134-F180 HydrophobicContact CB-CE1 4.3Å; W134-F180 HydrophobicContact CB-CE2 3.82Å; W134-F180 HydrophobicContact CB-CG 3.7Å; W134-F180 HydrophobicContact CB-CZ 4.18Å; W134-F180 HydrophobicContact CD2-CB 4.43Å; W134-F180 HydrophobicContact CD2-CG 4.45Å; W134-F180 HydrophobicContact CG-CB 3.93Å; W134-F180 HydrophobicContact CG-CD1 4.26Å; W134-F180 HydrophobicContact CG-CD2 4.07Å; W134-F180 AromaticContact CG-CG 3.79Å; W134-F180 HydrophobicContact CG-CG 3.79Å; E175-F180 VanDerWaalsContact CD-CA 3.44Å; E175-F180 HydrophobicContact CG-CB 4.09Å; E175-F180 WeakPolarHBondContact OE1-CA 3.43Å; E175-F180 PolarHBondContact OE1-N 3.04Å; T176-F180 WeakPolarHBondContact O-CB 3.41Å; T176-F180 PolarHBondContact O-N 3.48Å; Y177-F180 HydrophobicContact CD2-CD1 4.2Å; Y177-F180 HydrophobicContact CE2-CD1 4.28Å; F180-R182 VanDerWaalsContact C-N 3.33Å; F180-R182 PolarHBondContact O-N 3.42Å; F180-R183 PolarHBondContact O-N 3.48Å; F180-S184 WeakPolarHBondContact CZ-OG 3.35Å; F180-S184 VanDerWaalsContact O-CB 3.24Å; F180-S184 WeakPolarHBondContact O-CB 3.5Å; F180-S184 PolarHBondContact O-N 2.84Å; F180-S184 PolarHBondContact O-OG 3.17Å; F180-P208 HydrophobicContact CE1-CB 4.4Å; F180-P208 HydrophobicContact CZ-CB 3.86Å; F180-L209 HydrophobicContact CE2-CD1 4.33Å; F180-L209 HydrophobicContact CE2-CD2 3.83Å; F180-L209 HydrophobicContact CZ-CD1 4.27Å; F180-L209 HydrophobicContact CZ-CD2 3.83Å; F180-W227 HydrophobicContact CD1-CZ2 4.39Å; F180-W227 HydrophobicContact CE1-CH2 4.33Å; F180-W227 AromaticContact CE1-CZ2 3.62Å; F180-W227 HydrophobicContact CE1-CZ2 3.62Å; F180-W227 HydrophobicContact CZ-CZ2 4.29Å
181N96.8Very high95.9Very high16 Ų1641 Ų419%0.08621%0.214CC..Hα-helixtrans-63.1-39.3175.2-75.8-35.5000111.9Y177 A178 E179 S184 F185 L215Y177-N181 WeakPolarHBondContact CE1-ND2 3.39Å; Y177-N181 VanDerWaalsContact CZ-ND2 3.31Å; Y177-N181 WeakPolarHBondContact O-CB 3.47Å; Y177-N181 VanDerWaalsContact O-CG 3.29Å; Y177-N181 PolarHBondContact O-N 3.35Å; Y177-N181 PolarHBondContact O-ND2 3.38Å; Y177-N181 VanDerWaalsContact O-ND2 3.12Å; A178-N181 PolarHBondContact O-N 3.29Å; E179-N181 VanDerWaalsContact C-N 3.33Å; E179-N181 PolarHBondContact O-N 3.38Å; N181-S184 WeakPolarHBondContact O-CB 3.4Å; N181-S184 PolarHBondContact O-N 2.84Å; N181-F185 PolarHBondContact O-N 3.12Å; N181-L215 HydrophobicContact CB-CD1 3.79Å
182R96.5Very high96Very high149 Ų14941 Ų4156%0.56221%0.214SC*.Hα-helixtrans-64.3-46.1175.5-175.2177.866.6-148.5-1111.5A178 E179 F180 S184 F185 N186A178-R182 PolarHBondContact O-N 3.47Å; E179-R182 CarbonylContact O-C 3.6Å; E179-R182 WeakPolarHBondContact O-CB 3.48Å; E179-R182 PolarHBondContact O-N 3.21Å; E179-R182 VanDerWaalsContact O-N 3.11Å; E179-R182 IonicContact OE1-NH2 3.99Å; F180-R182 VanDerWaalsContact C-N 3.33Å; F180-R182 PolarHBondContact O-N 3.42Å; R182-S184 VanDerWaalsContact C-N 3.32Å; R182-S184 PolarHBondContact O-N 3.27Å; R182-F185 PolarHBondContact O-N 3.46Å; R182-N186 PolarHBondContact O-N 3.12Å; R182-N186 PolarHBondContact O-OD1 2.98Å
183R96.6Very high96.1Very high13 Ų1345.1 Ų45.15%0.04923%0.225CC..Hα-helixtrans-60.3-43.3174.5178.4168.86089.9-14.8111.6G130 Y132 E133 I166 E175 E179 F180 F185 N186 V187G130-R183 PolarHBondContact O-NH1 3.29Å; Y132-R183 PolarHBondContact O-NH1 3.37Å; Y132-R183 PolarHBondContact O-NH2 2.91Å; E133-R183 PolarHBondContact O-NH2 2.54Å; I166-R183 HydrophobicContact CD1-CG 3.81Å; E175-R183 IonicContact OE1-CZ 2.95Å; E175-R183 IonicContact OE1-NE 3.63Å; E175-R183 PolarHBondContact OE1-NE 2.93Å; E175-R183 IonicContact OE1-NH2 3.74Å; E175-R183 IonicContact OE2-CZ 3.13Å; E175-R183 IonicContact OE2-NE 3.58Å; E175-R183 PolarHBondContact OE2-NE 3.45Å; E175-R183 IonicContact OE2-NH2 3.09Å; E175-R183 PolarHBondContact OE2-NH2 3.48Å; E179-R183 PolarHBondContact O-N 3.24Å; F180-R183 PolarHBondContact O-N 3.48Å; R183-F185 VanDerWaalsContact C-N 3.34Å; R183-F185 PolarHBondContact O-N 2.91Å; R183-N186 PolarHBondContact O-N 3.28Å; R183-V187 WeakPolarHBondContact O-CG1 3.4Å; R183-V187 PolarHBondContact O-N 3.38Å
184S97Very high96.1Very high1 Ų146.9 Ų46.91%0.00723%0.23CC..Hα-helixtrans-59.9-41176.4-65.40000112.5F180 N181 R182 V187 M188 L209F180-S184 WeakPolarHBondContact CZ-OG 3.35Å; F180-S184 VanDerWaalsContact O-CB 3.24Å; F180-S184 WeakPolarHBondContact O-CB 3.5Å; F180-S184 PolarHBondContact O-N 2.84Å; F180-S184 PolarHBondContact O-OG 3.17Å; N181-S184 WeakPolarHBondContact O-CB 3.4Å; N181-S184 PolarHBondContact O-N 2.84Å; R182-S184 VanDerWaalsContact C-N 3.32Å; R182-S184 PolarHBondContact O-N 3.27Å; S184-V187 WeakPolarHBondContact O-CG1 3.34Å; S184-M188 VanDerWaalsContact O-CG 3.24Å; S184-M188 WeakPolarHBondContact O-CG 3.48Å; S184-M188 PolarHBondContact O-N 2.85Å; S184-L209 WeakPolarHBondContact OG-CD1 3.36Å
185F97Very high96.1Very high72 Ų7242.1 Ų42.132%0.31621%0.208SC..Hα-helixtrans-62.8-52.1171.6173.7-84.4000111.2N181 R182 R183 V187 M188 E189 F216N181-F185 PolarHBondContact O-N 3.12Å; R182-F185 PolarHBondContact O-N 3.46Å; R183-F185 VanDerWaalsContact C-N 3.34Å; R183-F185 PolarHBondContact O-N 2.91Å; F185-V187 PolarHBondContact O-N 2.98Å; F185-M188 PolarHBondContact O-N 3.22Å; F185-E189 HydrophobicContact CE1-CB 4.35Å; F185-E189 PolarHBondContact O-N 3.04Å; F185-F216 HydrophobicContact CD2-CB 4.5Å; F185-F216 HydrophobicContact CE2-CD2 4.42Å
186N97Very high95.9Very high68 Ų6848.2 Ų48.236%0.36424%0.235SC..Hα-helixtrans-60-43.9-174.5-69.8-11.9000112I166 R182 R183 E189 A190I166-N186 HydrophobicContact CD1-CB 4.07Å; R182-N186 PolarHBondContact O-N 3.12Å; R182-N186 PolarHBondContact O-OD1 2.98Å; R183-N186 PolarHBondContact O-N 3.28Å; N186-E189 PolarHBondContact O-N 2.93Å; N186-A190 WeakPolarHBondContact O-CB 3.23Å; N186-A190 PolarHBondContact O-N 2.77Å
187V97.4Very high95.5Very high0 Ų055.1 Ų55.10%025%0.253CS..Hα-helixtrans-66.4-40.4179.972.80000111.7E128 L131 I166 R183 S184 F185 A190 I191E128-V187 HydrophobicContact CG-CG2 3.35Å; L131-V187 HydrophobicContact CD2-CG1 4Å; L131-V187 HydrophobicContact CD2-CG2 4.01Å; L131-V187 HydrophobicContact CG-CG2 4.04Å; I166-V187 HydrophobicContact CD1-CB 4.01Å; R183-V187 WeakPolarHBondContact O-CG1 3.4Å; R183-V187 PolarHBondContact O-N 3.38Å; S184-V187 WeakPolarHBondContact O-CG1 3.34Å; F185-V187 PolarHBondContact O-N 2.98Å; V187-A190 PolarHBondContact O-N 2.92Å; V187-I191 HydrophobicContact CG2-CD1 4.19Å; V187-I191 VanDerWaalsContact O-CG1 3.31Å; V187-I191 WeakPolarHBondContact O-CG1 3.37Å; V187-I191 PolarHBondContact O-N 2.76Å
188M97.4Very high95.2Very high1 Ų160.3 Ų60.31%0.00528%0.276CS..Hα-helixtrans-67.6-41.6177.6-68.1-62.5157.500111.5I15 L131 S184 F185 A190 I191 V192 I203 A212 F213 F216I15-M188 HydrophobicContact CD1-CE 4.32Å; I15-M188 HydrophobicContact CD1-SD 4.44Å; L131-M188 HydrophobicContact CD2-CE 3.55Å; S184-M188 VanDerWaalsContact O-CG 3.24Å; S184-M188 WeakPolarHBondContact O-CG 3.48Å; S184-M188 PolarHBondContact O-N 2.85Å; F185-M188 PolarHBondContact O-N 3.22Å; M188-A190 VanDerWaalsContact C-N 3.32Å; M188-A190 PolarHBondContact O-N 2.78Å; M188-I191 PolarHBondContact O-N 3.42Å; M188-V192 WeakPolarHBondContact O-CB 3.44Å; M188-V192 VanDerWaalsContact O-CG2 3.3Å; M188-V192 WeakPolarHBondContact O-CG2 3.48Å; M188-V192 PolarHBondContact O-N 3.01Å; M188-I203 HydrophobicContact CE-CD1 4.38Å; M188-I203 HydrophobicContact SD-CD1 3.92Å; M188-A212 HydrophobicContact CE-CB 3.72Å; M188-A212 HydrophobicContact CG-CB 3.69Å; M188-A212 HydrophobicContact SD-CB 4.43Å; M188-F213 HydrophobicContact CB-CD2 4.43Å; M188-F213 HydrophobicContact CG-CD2 4.38Å; M188-F213 HydrophobicContact SD-CD2 3.97Å; M188-F216 HydrophobicContact CB-CB 3.87Å; M188-F216 HydrophobicContact CB-CG 4.17Å
189E97Very high95.1Very high64 Ų6457.1 Ų57.130%0.29925%0.25SC..Hα-helixtrans-58.9-45.8174.7-169.2-163.1-150.900111.2F185 N186 V192 K193 F216F185-E189 HydrophobicContact CE1-CB 4.35Å; F185-E189 PolarHBondContact O-N 3.04Å; N186-E189 PolarHBondContact O-N 2.93Å; E189-V192 PolarHBondContact O-N 3.45Å; E189-K193 HydrophobicContact CG-CD 4.25Å; E189-K193 WeakPolarHBondContact O-CG 3.5Å; E189-K193 PolarHBondContact O-N 3.08Å; E189-K193 WeakPolarHBondContact OE1-CE 3.45Å; E189-K193 IonicContact OE1-NZ 3.45Å; E189-K193 PolarHBondContact OE1-NZ 3.44Å; E189-K193 IonicContact OE2-NZ 3.64Å; E189-K193 PolarHBondContact OE2-NZ 3.07Å; E189-F216 HydrophobicContact CB-CD2 3.92Å; E189-F216 HydrophobicContact CB-CE2 3.94Å; E189-F216 HydrophobicContact CG-CD2 4.36Å; E189-F216 HydrophobicContact CG-CE2 3.94Å
190A96.4Very high95.1Very high13 Ų1353.9 Ų53.911%0.10724%0.235CC..Hα-helixtrans-68.5-38.7-178.200000113.2V165 N186 V187 M188 K193 Q194V165-A190 HydrophobicContact CB-CB 3.95Å; V165-A190 HydrophobicContact CG1-CB 3.61Å; V165-A190 HydrophobicContact CG2-CB 3.79Å; N186-A190 WeakPolarHBondContact O-CB 3.23Å; N186-A190 PolarHBondContact O-N 2.77Å; V187-A190 PolarHBondContact O-N 2.92Å; M188-A190 VanDerWaalsContact C-N 3.32Å; M188-A190 PolarHBondContact O-N 2.78Å; A190-K193 PolarHBondContact O-N 3.15Å; A190-Q194 WeakPolarHBondContact O-CG 3.23Å; A190-Q194 PolarHBondContact O-N 3.45Å; A190-Q194 PolarHBondContact O-NE2 3.43Å
191I96.4Very high95.1Very high1 Ų153.9 Ų53.91%0.00524%0.235CC..Hα-helixtrans-61.2-49.4172-71.7169.2000109.7F96 E128 L131 V187 M188 K193 Q194 M195 I203F96-I191 HydrophobicContact CB-CD1 4.45Å; F96-I191 HydrophobicContact CD1-CD1 4.36Å; F96-I191 HydrophobicContact CD1-CG1 4.13Å; F96-I191 HydrophobicContact CD2-CG2 3.95Å; F96-I191 HydrophobicContact CE1-CG1 4.22Å; F96-I191 HydrophobicContact CE1-CG2 4.4Å; F96-I191 HydrophobicContact CE2-CG2 3.74Å; F96-I191 HydrophobicContact CG-CD1 4.3Å; F96-I191 HydrophobicContact CG-CG1 4.41Å; F96-I191 HydrophobicContact CG-CG2 4.38Å; F96-I191 HydrophobicContact CZ-CG2 3.99Å; E128-I191 HydrophobicContact CG-CD1 4.46Å; L131-I191 HydrophobicContact CD1-CD1 4.08Å; L131-I191 HydrophobicContact CD2-CD1 4.05Å; L131-I191 HydrophobicContact CG-CD1 4.26Å; V187-I191 HydrophobicContact CG2-CD1 4.19Å; V187-I191 VanDerWaalsContact O-CG1 3.31Å; V187-I191 WeakPolarHBondContact O-CG1 3.37Å; V187-I191 PolarHBondContact O-N 2.76Å; M188-I191 PolarHBondContact O-N 3.42Å; I191-K193 VanDerWaalsContact C-N 3.29Å; I191-K193 PolarHBondContact O-N 3.28Å; I191-Q194 WeakPolarHBondContact O-CB 3.36Å; I191-Q194 PolarHBondContact O-N 3.31Å; I191-M195 WeakPolarHBondContact O-CG 3.36Å; I191-M195 PolarHBondContact O-N 2.91Å; I191-I203 HydrophobicContact CD1-CD1 4.07Å; I191-I203 HydrophobicContact CG2-CD1 4.16Å
192V95.9Very high95.2Very high7 Ų753.1 Ų53.14%0.04223%0.231CC..Hα-helixtrans-61.7-36.6-178.7169.50000112R11 M188 E189 Q194 M195 F213 F216 W250R11-V192 PolarHBondContact NH1-O 3.49Å; M188-V192 WeakPolarHBondContact O-CB 3.44Å; M188-V192 VanDerWaalsContact O-CG2 3.3Å; M188-V192 WeakPolarHBondContact O-CG2 3.48Å; M188-V192 PolarHBondContact O-N 3.01Å; E189-V192 PolarHBondContact O-N 3.45Å; V192-Q194 PolarHBondContact O-N 3.01Å; V192-M195 HydrophobicContact CG2-SD 4.23Å; V192-M195 PolarHBondContact O-N 3.27Å; V192-F213 HydrophobicContact CG2-CE2 3.82Å; V192-F213 HydrophobicContact CG2-CZ 4.1Å; V192-F216 HydrophobicContact CB-CE1 4.29Å; V192-F216 HydrophobicContact CB-CZ 3.95Å; V192-F216 HydrophobicContact CG1-CE1 4.22Å; V192-F216 HydrophobicContact CG1-CZ 3.8Å; V192-F216 HydrophobicContact CG2-CD1 4.44Å; V192-F216 HydrophobicContact CG2-CE1 3.81Å; V192-F216 HydrophobicContact CG2-CZ 3.98Å; V192-W250 HydrophobicContact CG1-CZ2 3.73Å; V192-W250 HydrophobicContact CG2-CH2 4.47Å; V192-W250 HydrophobicContact CG2-CZ2 4.1Å
193K95.2Very high95.3Very high141 Ų14146 Ų4661%0.61320%0.204SC*.Hα-helixtrans-61.8-28.2174.4-78.2170.5178.5166.10113.1E189 A190 I191E189-K193 HydrophobicContact CG-CD 4.25Å; E189-K193 WeakPolarHBondContact O-CG 3.5Å; E189-K193 PolarHBondContact O-N 3.08Å; E189-K193 WeakPolarHBondContact OE1-CE 3.45Å; E189-K193 IonicContact OE1-NZ 3.45Å; E189-K193 PolarHBondContact OE1-NZ 3.44Å; E189-K193 IonicContact OE2-NZ 3.64Å; E189-K193 PolarHBondContact OE2-NZ 3.07Å; A190-K193 PolarHBondContact O-N 3.15Å; I191-K193 VanDerWaalsContact C-N 3.29Å; I191-K193 PolarHBondContact O-N 3.28Å
194Q92.9Very high95.4Very high73 Ų7345.4 Ų45.434%0.34120%0.202SC..Hα-helixtrans-89.8-10.1179.5-66.4172.571.300113.5A190 I191 V192A190-Q194 WeakPolarHBondContact O-CG 3.23Å; A190-Q194 PolarHBondContact O-N 3.45Å; A190-Q194 PolarHBondContact O-NE2 3.43Å; I191-Q194 WeakPolarHBondContact O-CB 3.36Å; I191-Q194 PolarHBondContact O-N 3.31Å; V192-Q194 PolarHBondContact O-N 3.01Å
195M94.4Very high95.4Very high12 Ų1245.4 Ų45.46%0.05920%0.201CC..PPolyproline II helixtrans-75.6135-179.6-70.7175.370.700112.2R11 R12 V13 I191 V192 A201R11-M195 HydrophobicContact CB-CE 3.91Å; R11-M195 HydrophobicContact CG-CB 4.41Å; R11-M195 HydrophobicContact CG-CE 4.32Å; R12-M195 WeakPolarHBondContact O-CE 3.5Å; V13-M195 HydrophobicContact CG2-CE 3.87Å; V13-M195 HydrophobicContact CG2-SD 3.64Å; I191-M195 WeakPolarHBondContact O-CG 3.36Å; I191-M195 PolarHBondContact O-N 2.91Å; V192-M195 HydrophobicContact CG2-SD 4.23Å; V192-M195 PolarHBondContact O-N 3.27Å; M195-A201 HydrophobicContact CE-CB 3.78Å; M195-A201 HydrophobicContact CG-CB 4.33Å; M195-A201 HydrophobicContact SD-CB 4.01Å
196F90.1Very high95.5Very high140 Ų14042 Ų4261%0.61419%0.187SC*.PPolyproline II helixtrans-65.8156.7171.1-51.3-67.1000112.1R11 K198 S199R11-F196 WeakPolarHBondContact CG-O 3.46Å; F196-K198 PolarHBondContact O-N 3.12Å; F196-S199 PolarHBondContact N-OG 2.94Å; F196-S199 PolarHBondContact O-N 3.35Å; F196-S199 PolarHBondContact O-OG 2.97Å
197R87.5Confident95.5Very high214 Ų21439 Ų3981%0.80817%0.172SC*.THydrogen-bonded Turntrans-64.7138.5172.9-72.4-175.566.782.8-1.1110S199R197-S199 PolarHBondContact O-N 2.66Å
198K89.1Confident95.4Very high140 Ų14039.2 Ų39.261%0.60917%0.173SC*.THydrogen-bonded Turntrans5825.3-177.5-54.8-178.5177.7-178.50114Q91 F196Q91-K198 PolarHBondContact NE2-O 3.07Å; F196-K198 PolarHBondContact O-N 3.12Å
199S93.6Very high95.3Very high4 Ų439.2 Ų39.23%0.02817%0.173CC..  trans-94.5162.3170.673.30000112.4R11 R12 D93 F196 R197R11-S199 CarbonylContact C-O 3.54Å; R11-S199 VanDerWaalsContact CA-O 3.3Å; R11-S199 WeakPolarHBondContact CA-O 3.4Å; R12-S199 PolarHBondContact N-O 2.75Å; D93-S199 WeakPolarHBondContact OD2-CA 3.46Å; D93-S199 WeakPolarHBondContact OD2-CB 3.49Å; F196-S199 PolarHBondContact N-OG 2.94Å; F196-S199 PolarHBondContact O-N 3.35Å; F196-S199 PolarHBondContact O-OG 2.97Å; R197-S199 PolarHBondContact O-N 2.66Å
200S95.9Very high95.2Very high1 Ų136.9 Ų36.91%0.00716%0.162CC..EExtended strand (participates in β ladder)trans-119.5125.4173.8-61.90000110R12 Q91 D93 Q94R12-S200 CarbonylContact O-C 3.58Å; R12-S200 VanDerWaalsContact O-CA 3.26Å; R12-S200 WeakPolarHBondContact O-CA 3.2Å; Q91-S200 WeakPolarHBondContact O-CB 3.38Å; Q91-S200 PolarHBondContact O-OG 3.08Å; D93-S200 PolarHBondContact N-O 3.01Å; D93-S200 PolarHBondContact OD2-N 3.09Å; Q94-S200 PolarHBondContact N-O 2.68Å
201A97Very high95Very high1 Ų137.3 Ų37.31%0.00816%0.162CC..EExtended strand (participates in β ladder)trans-104.5131.8173.500000110.5R12 V13 I14 Q94 F96 M195R12-A201 PolarHBondContact O-N 3.44Å; V13-A201 WeakPolarHBondContact CA-O 3.46Å; I14-A201 PolarHBondContact N-O 3.06Å; Q94-A201 HydrophobicContact CB-CB 4.36Å; Q94-A201 CarbonylContact O-C 3.58Å; Q94-A201 VanDerWaalsContact O-CA 3.31Å; Q94-A201 WeakPolarHBondContact O-CA 3.37Å; F96-A201 HydrophobicContact CD2-CB 4.21Å; F96-A201 HydrophobicContact CE2-CB 4.07Å; M195-A201 HydrophobicContact CE-CB 3.78Å; M195-A201 HydrophobicContact CG-CB 4.33Å; M195-A201 HydrophobicContact SD-CB 4.01Å
202L98.2Very high94.9Very high1 Ų137.3 Ų37.31%0.00516%0.162CC..EExtended strand (participates in β ladder)trans-95.1127.2165174.864.9000108.8I14 M16 I92 Q94 V95 F96 V110 V204I14-L202 HydrophobicContact CB-CD1 4.23Å; I14-L202 HydrophobicContact CG2-CD1 3.98Å; I14-L202 CarbonylContact O-C 3.6Å; I14-L202 WeakPolarHBondContact O-CA 3.18Å; M16-L202 HydrophobicContact CB-CD1 4.12Å; M16-L202 HydrophobicContact CE-CD1 3.88Å; M16-L202 HydrophobicContact CE-CD2 4.32Å; I92-L202 HydrophobicContact CD1-CD2 4.47Å; I92-L202 HydrophobicContact CG2-CB 4.07Å; Q94-L202 PolarHBondContact O-N 3.23Å; V95-L202 CarbonylContact C-O 3.56Å; V95-L202 WeakPolarHBondContact CA-O 3.48Å; V95-L202 HydrophobicContact CG1-CD2 4.47Å; V95-L202 HydrophobicContact CG2-CB 4.41Å; F96-L202 PolarHBondContact N-O 3.4Å; V110-L202 HydrophobicContact CG1-CD2 3.66Å; L202-V204 HydrophobicContact CD2-CG2 4.15Å; L202-V204 HydrophobicContact CG-CG2 4.06Å
203I98.6Very high94.8Very high0 Ų037 Ų370%016%0.16CC..EExtended strand (participates in β ladder)trans-115.4113.5177.8-55.9-178.7000108.4V13 I14 I15 M16 F96 L131 M188 I191 T205V13-I203 HydrophobicContact CG1-CD1 3.56Å; V13-I203 HydrophobicContact CG1-CG1 4.16Å; I14-I203 PolarHBondContact O-N 2.9Å; I15-I203 CarbonylContact C-O 3.56Å; I15-I203 WeakPolarHBondContact CA-O 3.19Å; I15-I203 HydrophobicContact CG1-CB 4.35Å; I15-I203 HydrophobicContact CG1-CD1 4.47Å; I15-I203 HydrophobicContact CG2-CB 4.44Å; I15-I203 HydrophobicContact CG2-CG2 4.48Å; M16-I203 PolarHBondContact N-O 2.64Å; F96-I203 HydrophobicContact CB-CG1 4.38Å; F96-I203 CarbonylContact O-C 3.56Å; F96-I203 WeakPolarHBondContact O-CA 3.27Å; L131-I203 HydrophobicContact CD1-CG2 3.6Å; L131-I203 HydrophobicContact CD2-CG2 3.93Å; L131-I203 HydrophobicContact CG-CG2 4.42Å; M188-I203 HydrophobicContact CE-CD1 4.38Å; M188-I203 HydrophobicContact SD-CD1 3.92Å; I191-I203 HydrophobicContact CD1-CD1 4.07Å; I191-I203 HydrophobicContact CG2-CD1 4.16Å; I203-T205 HydrophobicContact CG2-CG2 4.24Å
204V98.8Very high94.7Very high0 Ų031.4 Ų31.40%014%0.137CC..EExtended strand (participates in β ladder)trans-100.8111.1178.1-176.10000110M16 F96 C97 S98 C103 T106 A107 L202M16-V204 WeakPolarHBondContact O-CA 3.46Å; F96-V204 PolarHBondContact O-N 3Å; C97-V204 CarbonylContact C-O 3.54Å; C97-V204 WeakPolarHBondContact CA-O 3.21Å; C97-V204 HydrophobicContact CB-CB 4Å; C97-V204 WeakPolarHBondContact CB-O 3.39Å; S98-V204 PolarHBondContact N-O 3.42Å; C103-V204 HydrophobicContact CB-CG1 4.31Å; C103-V204 WeakPolarHBondContact O-CG1 3.31Å; T106-V204 HydrophobicContact CG2-CG1 3.67Å; A107-V204 HydrophobicContact CB-CB 4.11Å; A107-V204 HydrophobicContact CB-CG1 4.49Å; A107-V204 HydrophobicContact CB-CG2 3.88Å; L202-V204 HydrophobicContact CD2-CG2 4.15Å; L202-V204 HydrophobicContact CG-CG2 4.06Å
205T98.5Very high94.8Very high0 Ų028.8 Ų28.80%013%0.125CC..EExtended strand (participates in β ladder)trans-145.8-150.9-172-1760000110.3I15 M16 R17 H18 L131 I203 L209I15-T205 HydrophobicContact CG2-CG2 3.52Å; M16-T205 PolarHBondContact O-N 3.38Å; R17-T205 CarbonylContact C-O 3.52Å; R17-T205 WeakPolarHBondContact CA-O 3.37Å; H18-T205 PolarHBondContact N-O 3.24Å; L131-T205 PolarHBondContact O-OG1 2.85Å; I203-T205 HydrophobicContact CG2-CG2 4.24Å; T205-L209 HydrophobicContact CG2-CB 3.72Å; T205-L209 HydrophobicContact CG2-CG 4.44Å; T205-L209 WeakPolarHBondContact OG1-CG 3.4Å
206H98Very high94.9Very high1 Ų130 Ų301%0.00513%0.13CC..  trans-113.4159.3-173.5-48.8-83.5000110.5H18 S98 R102 C103 Y132 E133 P208 L209 F210H18-H206 AromaticContact CD2-ND1 3.48Å; H18-H206 PolarHBondContact CD2-ND1 3.22Å; H18-H206 AromaticContact NE2-ND1 3.89Å; S98-H206 WeakPolarHBondContact CB-NE2 3.42Å; S98-H206 PolarHBondContact OG-NE2 3Å; R102-H206 PolarHBondContact NE-CE1 2.78Å; R102-H206 PolarHBondContact NH2-CE1 2.88Å; R102-H206 VanDerWaalsContact NH2-CE1 3.29Å; C103-H206 PolarHBondContact SG-CE1 3.47Å; Y132-H206 AromaticContact CD2-NE2 3.94Å; E133-H206 HydrophobicContact CB-CB 3.81Å; E133-H206 PolarHBondContact N-CD2 3.48Å; E133-H206 IonicContact OE1-CE1 2.77Å; E133-H206 IonicContact OE1-CG 3.54Å; E133-H206 IonicContact OE1-ND1 3.56Å; E133-H206 PolarHBondContact OE1-ND1 3.37Å; H206-P208 VanDerWaalsContact C-CD 3.44Å; H206-P208 VanDerWaalsContact C-N 3.3Å; H206-L209 PolarHBondContact O-N 3.38Å; H206-F210 WeakPolarHBondContact O-CD1 3.25Å
207A96.5Very high95.1Very high6 Ų625.5 Ų25.55%0.0511%0.112CC..G310 helixtrans-53-39.9176.100000113.9L209 F210 V231 T234A207-L209 PolarHBondContact O-N 3.11Å; A207-L209 VanDerWaalsContact O-N 3.09Å; A207-F210 WeakPolarHBondContact O-CB 3.43Å; A207-F210 PolarHBondContact O-N 3.29Å; A207-F210 VanDerWaalsContact O-N 3.15Å; A207-V231 HydrophobicContact CB-CG1 4Å; A207-T234 HydrophobicContact CB-CG2 3.84Å
208P95.5Very high95.4Very high4 Ų418.4 Ų18.43%0.02611%0.106CC..G310 helixtrans-49-32.6172.9-37.342.8000116.1E133 F180 H206 F210 W227 V231E133-P208 HydrophobicContact CB-CB 4.38Å; E133-P208 HydrophobicContact CB-CG 4.18Å; F180-P208 HydrophobicContact CE1-CB 4.4Å; F180-P208 HydrophobicContact CZ-CB 3.86Å; H206-P208 VanDerWaalsContact C-CD 3.44Å; H206-P208 VanDerWaalsContact C-N 3.3Å; P208-F210 VanDerWaalsContact C-N 3.34Å; P208-F210 PolarHBondContact O-N 2.78Å; P208-W227 VanDerWaalsContact CA-CZ2 3.45Å; P208-W227 HydrophobicContact CB-CH2 3.81Å; P208-W227 HydrophobicContact CB-CZ2 3.5Å; P208-W227 VanDerWaalsContact CB-CZ2 3.5Å; P208-W227 HydrophobicContact CG-CH2 4.07Å; P208-W227 HydrophobicContact CG-CZ2 4.18Å; P208-W227 PolarHBondContact O-NE1 3.21Å; P208-V231 HydrophobicContact CG-CG1 3.87Å; P208-V231 HydrophobicContact CG-CG2 4.32Å
209L95.4Very high95.6Very high0 Ų017.9 Ų17.90%010%0.1CC..G310 helixtrans-85.80.1-174.7-87.9-59.6000113.7F180 S184 T205 H206 A207 D211 A212F180-L209 HydrophobicContact CE2-CD1 4.33Å; F180-L209 HydrophobicContact CE2-CD2 3.83Å; F180-L209 HydrophobicContact CZ-CD1 4.27Å; F180-L209 HydrophobicContact CZ-CD2 3.83Å; S184-L209 WeakPolarHBondContact OG-CD1 3.36Å; T205-L209 HydrophobicContact CG2-CB 3.72Å; T205-L209 HydrophobicContact CG2-CG 4.44Å; T205-L209 WeakPolarHBondContact OG1-CG 3.4Å; H206-L209 PolarHBondContact O-N 3.38Å; A207-L209 PolarHBondContact O-N 3.11Å; A207-L209 VanDerWaalsContact O-N 3.09Å; L209-D211 VanDerWaalsContact C-N 3.25Å; L209-D211 PolarHBondContact O-N 3.36Å; L209-A212 HydrophobicContact CD1-CB 3.81Å; L209-A212 WeakPolarHBondContact O-CB 3.47Å; L209-A212 PolarHBondContact O-N 2.88Å
210F94.5Very high95.6Very high15 Ų1522.7 Ų22.77%0.06613%0.134CC..G310 helixtrans-69.3-25.1-174.3-85.944.7000113.2I15 R17 H206 A207 P208 T234 F238 V240I15-F210 HydrophobicContact CG2-CD1 4.22Å; I15-F210 HydrophobicContact CG2-CE1 4Å; I15-F210 HydrophobicContact CG2-CZ 4.5Å; R17-F210 HydrophobicContact CB-CE1 4.13Å; R17-F210 HydrophobicContact CB-CZ 3.99Å; H206-F210 WeakPolarHBondContact O-CD1 3.25Å; A207-F210 WeakPolarHBondContact O-CB 3.43Å; A207-F210 PolarHBondContact O-N 3.29Å; A207-F210 VanDerWaalsContact O-N 3.15Å; P208-F210 VanDerWaalsContact C-N 3.34Å; P208-F210 PolarHBondContact O-N 2.78Å; F210-T234 HydrophobicContact CD2-CG2 4.46Å; F210-T234 HydrophobicContact CE2-CG2 4.36Å; F210-F238 AromaticContact CD2-CD1 3.68Å; F210-F238 HydrophobicContact CD2-CD1 3.68Å; F210-F238 AromaticContact CD2-CE1 3.84Å; F210-F238 HydrophobicContact CD2-CE1 3.84Å; F210-F238 HydrophobicContact CE2-CB 4.41Å; F210-F238 AromaticContact CE2-CD1 3.21Å; F210-F238 HydrophobicContact CE2-CD1 3.21Å; F210-F238 AromaticContact CE2-CE1 3.74Å; F210-F238 HydrophobicContact CE2-CE1 3.74Å; F210-F238 HydrophobicContact CE2-CG 4.16Å; F210-F238 HydrophobicContact CZ-CD1 4.21Å; F210-F238 VanDerWaalsContact CZ-O 3.3Å; F210-F238 WeakPolarHBondContact CZ-O 3.36Å; F210-V240 HydrophobicContact CD2-CB 4.43Å; F210-V240 HydrophobicContact CD2-CG1 3.75Å; F210-V240 HydrophobicContact CD2-CG2 3.88Å; F210-V240 HydrophobicContact CE2-CG1 4.11Å; F210-V240 HydrophobicContact CE2-CG2 4.14Å; F210-V240 HydrophobicContact CG-CG2 4.36Å
211D92.5Very high95.5Very high23 Ų2326.3 Ų26.312%0.12316%0.157CC..G310 helixtrans-85.7-9.2172.3-81.6-35.1000113.4L209 F213 N214 L215 K222L209-D211 VanDerWaalsContact C-N 3.25Å; L209-D211 PolarHBondContact O-N 3.36Å; D211-F213 VanDerWaalsContact C-N 3.25Å; D211-F213 PolarHBondContact O-N 3.3Å; D211-N214 WeakPolarHBondContact O-CA 3.22Å; D211-N214 VanDerWaalsContact O-CB 3.31Å; D211-N214 WeakPolarHBondContact O-CB 3.5Å; D211-N214 PolarHBondContact O-N 3.17Å; D211-N214 PolarHBondContact OD1-ND2 2.78Å; D211-L215 WeakPolarHBondContact O-CG 3.42Å; D211-L215 PolarHBondContact O-N 3.36Å; D211-K222 WeakPolarHBondContact OD1-CE 3.45Å; D211-K222 WeakPolarHBondContact OD2-CD 3.16Å; D211-K222 WeakPolarHBondContact OD2-CE 3.31Å
212A93.9Very high95.4Very high1 Ų128.7 Ų28.71%0.00817%0.168CC..Hα-helixtrans-56.6-40.4-178.200000112.3M188 L209 L215 F216M188-A212 HydrophobicContact CE-CB 3.72Å; M188-A212 HydrophobicContact CG-CB 3.69Å; M188-A212 HydrophobicContact SD-CB 4.43Å; L209-A212 HydrophobicContact CD1-CB 3.81Å; L209-A212 WeakPolarHBondContact O-CB 3.47Å; L209-A212 PolarHBondContact O-N 2.88Å; A212-L215 WeakPolarHBondContact O-CB 3.24Å; A212-L215 PolarHBondContact O-N 2.77Å; A212-F216 PolarHBondContact O-N 2.82Å
213F94Very high95.2Very high0 Ų033.4 Ų33.40%019%0.193CC..Hα-helixtrans-73.8-29.4177.7-147.3-88.8000112.5V13 I15 M188 V192 D211 L215 F216 I217 Y242 W250V13-F213 HydrophobicContact CB-CD2 4.37Å; V13-F213 HydrophobicContact CB-CE2 3.82Å; V13-F213 HydrophobicContact CB-CZ 4.07Å; V13-F213 HydrophobicContact CG1-CD2 4.01Å; V13-F213 HydrophobicContact CG1-CE2 3.87Å; V13-F213 HydrophobicContact CG2-CE2 3.67Å; V13-F213 HydrophobicContact CG2-CZ 3.91Å; I15-F213 HydrophobicContact CD1-CB 3.85Å; I15-F213 HydrophobicContact CD1-CD2 4.41Å; I15-F213 HydrophobicContact CD1-CG 4.45Å; M188-F213 HydrophobicContact CB-CD2 4.43Å; M188-F213 HydrophobicContact CG-CD2 4.38Å; M188-F213 HydrophobicContact SD-CD2 3.97Å; V192-F213 HydrophobicContact CG2-CE2 3.82Å; V192-F213 HydrophobicContact CG2-CZ 4.1Å; D211-F213 VanDerWaalsContact C-N 3.25Å; D211-F213 PolarHBondContact O-N 3.3Å; F213-L215 VanDerWaalsContact C-N 3.32Å; F213-F216 HydrophobicContact CD1-CD1 4.29Å; F213-F216 HydrophobicContact CD2-CD1 4.26Å; F213-F216 AromaticContact CE1-CD1 3.94Å; F213-F216 HydrophobicContact CE1-CD1 3.94Å; F213-F216 HydrophobicContact CE1-CE1 4.31Å; F213-F216 AromaticContact CE2-CD1 3.88Å; F213-F216 HydrophobicContact CE2-CD1 3.88Å; F213-F216 HydrophobicContact CE2-CE1 4.26Å; F213-F216 HydrophobicContact CG-CD1 4.46Å; F213-F216 AromaticContact CZ-CD1 3.73Å; F213-F216 HydrophobicContact CZ-CD1 3.73Å; F213-F216 AromaticContact CZ-CE1 3.87Å; F213-F216 HydrophobicContact CZ-CE1 3.87Å; F213-F216 PolarHBondContact O-N 3.45Å; F213-I217 HydrophobicContact CD1-CG2 3.8Å; F213-I217 HydrophobicContact CE1-CG2 3.7Å; F213-I217 WeakPolarHBondContact O-CG1 3.38Å; F213-I217 WeakPolarHBondContact O-CG2 3.26Å; F213-I217 PolarHBondContact O-N 3.42Å; F213-I217 VanDerWaalsContact O-N 3.1Å; F213-Y242 HydrophobicContact CB-CD2 3.89Å; F213-Y242 HydrophobicContact CB-CE1 4.46Å; F213-Y242 HydrophobicContact CB-CE2 3.55Å; F213-Y242 HydrophobicContact CB-CG 4.49Å; F213-Y242 AromaticContact CD1-CD1 3.53Å; F213-Y242 HydrophobicContact CD1-CD1 3.53Å; F213-Y242 AromaticContact CD1-CD2 3.44Å; F213-Y242 HydrophobicContact CD1-CD2 3.44Å; F213-Y242 VanDerWaalsContact CD1-CD2 3.44Å; F213-Y242 AromaticContact CD1-CE1 3.98Å; F213-Y242 HydrophobicContact CD1-CE1 3.98Å; F213-Y242 AromaticContact CD1-CE2 3.91Å; F213-Y242 HydrophobicContact CD1-CE2 3.91Å; F213-Y242 AromaticContact CD1-CG 3.25Å; F213-Y242 HydrophobicContact CD1-CG 3.25Å; F213-Y242 VanDerWaalsContact CE1-CB 3.44Å; F213-Y242 HydrophobicContact CE1-CD1 4.08Å; F213-Y242 HydrophobicContact CE1-CD2 4.12Å; F213-Y242 AromaticContact CE1-CG 3.63Å; F213-Y242 HydrophobicContact CE1-CG 3.63Å; F213-Y242 HydrophobicContact CG-CD1 4.48Å; F213-Y242 AromaticContact CG-CD2 3.7Å; F213-Y242 HydrophobicContact CG-CD2 3.7Å; F213-Y242 AromaticContact CG-CE2 3.93Å; F213-Y242 HydrophobicContact CG-CE2 3.93Å; F213-Y242 HydrophobicContact CG-CG 4.01Å; F213-W250 HydrophobicContact CE1-CB 4.22Å; F213-W250 AromaticContact CE1-CD2 3.76Å; F213-W250 HydrophobicContact CE1-CD2 3.76Å; F213-W250 AromaticContact CE1-CE3 3.53Å; F213-W250 HydrophobicContact CE1-CE3 3.53Å; F213-W250 HydrophobicContact CE1-CG 4.08Å; F213-W250 HydrophobicContact CE1-CZ3 4.11Å; F213-W250 AromaticContact CZ-CD2 3.72Å; F213-W250 HydrophobicContact CZ-CD2 3.72Å; F213-W250 AromaticContact CZ-CE3 3.49Å; F213-W250 HydrophobicContact CZ-CE3 3.49Å; F213-W250 VanDerWaalsContact CZ-CE3 3.49Å; F213-W250 HydrophobicContact CZ-CG 4.39Å; F213-W250 HydrophobicContact CZ-CH2 4Å; F213-W250 HydrophobicContact CZ-CZ2 4.24Å; F213-W250 AromaticContact CZ-CZ3 3.64Å; F213-W250 HydrophobicContact CZ-CZ3 3.64Å
214N94.1Very high95Very high23 Ų2337.1 Ų37.112%0.12321%0.212CC..Hα-helixtrans-62.6-42.4170.5-77.5-46.6000110.4D211 I217 R219 Y242D211-N214 WeakPolarHBondContact O-CA 3.22Å; D211-N214 VanDerWaalsContact O-CB 3.31Å; D211-N214 WeakPolarHBondContact O-CB 3.5Å; D211-N214 PolarHBondContact O-N 3.17Å; D211-N214 PolarHBondContact OD1-ND2 2.78Å; N214-I217 VanDerWaalsContact O-CG1 3.28Å; N214-I217 WeakPolarHBondContact O-CG1 3.49Å; N214-I217 PolarHBondContact O-N 3.38Å; N214-R219 HydrophobicContact CB-CB 4.25Å; N214-R219 WeakPolarHBondContact O-CB 3.36Å; N214-R219 PolarHBondContact O-N 2.73Å; N214-R219 WeakPolarHBondContact OD1-CD 3.36Å; N214-R219 PolarHBondContact OD1-NH1 2.92Å; N214-Y242 PolarHBondContact ND2-OH 2.85Å; N214-Y242 PolarHBondContact OD1-OH 3.38Å
215L94.6Very high94.8Very high18 Ų1845 Ų459%0.09425%0.249CC..Hα-helixtrans-61.7-48.1174.8-60174.1000111.2N181 D211 A212 F213 I217 G218 P221N181-L215 HydrophobicContact CB-CD1 3.79Å; D211-L215 WeakPolarHBondContact O-CG 3.42Å; D211-L215 PolarHBondContact O-N 3.36Å; A212-L215 WeakPolarHBondContact O-CB 3.24Å; A212-L215 PolarHBondContact O-N 2.77Å; F213-L215 VanDerWaalsContact C-N 3.32Å; L215-I217 VanDerWaalsContact C-N 3.28Å; L215-I217 PolarHBondContact O-N 2.61Å; L215-G218 PolarHBondContact O-N 3.35Å; L215-P221 HydrophobicContact CD2-CB 3.79Å; L215-P221 HydrophobicContact CD2-CG 4.47Å
216F95.7Very high94.7Very high37 Ų3747.6 Ų47.616%0.16226%0.263CS..Hα-helixtrans-54.7-41.1178.5168.4-110.7000113.1F185 M188 E189 V192 A212 F213 G218 W250F185-F216 HydrophobicContact CD2-CB 4.5Å; F185-F216 HydrophobicContact CE2-CD2 4.42Å; M188-F216 HydrophobicContact CB-CB 3.87Å; M188-F216 HydrophobicContact CB-CG 4.17Å; E189-F216 HydrophobicContact CB-CD2 3.92Å; E189-F216 HydrophobicContact CB-CE2 3.94Å; E189-F216 HydrophobicContact CG-CD2 4.36Å; E189-F216 HydrophobicContact CG-CE2 3.94Å; V192-F216 HydrophobicContact CB-CE1 4.29Å; V192-F216 HydrophobicContact CB-CZ 3.95Å; V192-F216 HydrophobicContact CG1-CE1 4.22Å; V192-F216 HydrophobicContact CG1-CZ 3.8Å; V192-F216 HydrophobicContact CG2-CD1 4.44Å; V192-F216 HydrophobicContact CG2-CE1 3.81Å; V192-F216 HydrophobicContact CG2-CZ 3.98Å; A212-F216 PolarHBondContact O-N 2.82Å; F213-F216 HydrophobicContact CD1-CD1 4.29Å; F213-F216 HydrophobicContact CD2-CD1 4.26Å; F213-F216 AromaticContact CE1-CD1 3.94Å; F213-F216 HydrophobicContact CE1-CD1 3.94Å; F213-F216 HydrophobicContact CE1-CE1 4.31Å; F213-F216 AromaticContact CE2-CD1 3.88Å; F213-F216 HydrophobicContact CE2-CD1 3.88Å; F213-F216 HydrophobicContact CE2-CE1 4.26Å; F213-F216 HydrophobicContact CG-CD1 4.46Å; F213-F216 AromaticContact CZ-CD1 3.73Å; F213-F216 HydrophobicContact CZ-CD1 3.73Å; F213-F216 AromaticContact CZ-CE1 3.87Å; F213-F216 HydrophobicContact CZ-CE1 3.87Å; F213-F216 PolarHBondContact O-N 3.45Å; F216-G218 PolarHBondContact O-N 2.74Å; F216-W250 AromaticContact CE1-CD1 3.88Å; F216-W250 HydrophobicContact CE1-CG 4.38Å; F216-W250 AromaticContact CE1-NE1 3.72Å
217I94.7Very high94.5Very high46 Ų4647.6 Ų47.624%0.23626%0.263CS..THydrogen-bonded Turntrans-82.311179.871.2177.4000113.5F213 N214 L215 R219 Y242 W250F213-I217 HydrophobicContact CD1-CG2 3.8Å; F213-I217 HydrophobicContact CE1-CG2 3.7Å; F213-I217 WeakPolarHBondContact O-CG1 3.38Å; F213-I217 WeakPolarHBondContact O-CG2 3.26Å; F213-I217 PolarHBondContact O-N 3.42Å; F213-I217 VanDerWaalsContact O-N 3.1Å; N214-I217 VanDerWaalsContact O-CG1 3.28Å; N214-I217 WeakPolarHBondContact O-CG1 3.49Å; N214-I217 PolarHBondContact O-N 3.38Å; L215-I217 VanDerWaalsContact C-N 3.28Å; L215-I217 PolarHBondContact O-N 2.61Å; I217-R219 HydrophobicContact CD1-CG 4.48Å; I217-R219 HydrophobicContact CG1-CG 4.18Å; I217-Y242 HydrophobicContact CD1-CD1 4.43Å; I217-Y242 HydrophobicContact CD1-CE1 4.29Å; I217-W250 HydrophobicContact CB-CB 4.27Å; I217-W250 HydrophobicContact CG2-CB 3.36Å; I217-W250 HydrophobicContact CG2-CG 3.94Å
218G93.8Very high94.4Very high66 Ų6649.1 Ų49.168%0.6827%0.273SS*.THydrogen-bonded Turntrans86.518.2173.800000115.1L215 F216L215-G218 PolarHBondContact O-N 3.35Å; F216-G218 PolarHBondContact O-N 2.74Å
219R94.1Very high94.4Very high128 Ų12849.8 Ų49.848%0.48328%0.281SS..PPolyproline II helixtrans-82.2147.2169.9-60178.8170-174.8-8.2110.1N214 I217N214-R219 HydrophobicContact CB-CB 4.25Å; N214-R219 WeakPolarHBondContact O-CB 3.36Å; N214-R219 PolarHBondContact O-N 2.73Å; N214-R219 WeakPolarHBondContact OD1-CD 3.36Å; N214-R219 PolarHBondContact OD1-NH1 2.92Å; I217-R219 HydrophobicContact CD1-CG 4.48Å; I217-R219 HydrophobicContact CG1-CG 4.18Å
220S93.2Very high94.3Very high106 Ų10655.1 Ų55.174%0.74130%0.301SS*.PPolyproline II helixtrans-66.6147.2176.7-53.20000111.7
221P94Very high94.3Very high76 Ų7655.2 Ų55.249%0.49430%0.303SS..PPolyproline II helixtrans-59.4147.8170.426.4-33.7000110.3L215L215-P221 HydrophobicContact CD2-CB 3.79Å; L215-P221 HydrophobicContact CD2-CG 4.47Å
222K94.2Very high94.4Very high52 Ų5262 Ų6223%0.22633%0.333CS..PPolyproline II helixtrans-69.2157.5170.6-65.6-175.8-176.8-65.90109.5Y177 D211 D226 W227 R230Y177-K222 WeakPolarHBondContact CE1-O 3.43Å; Y177-K222 PolarHBondContact OH-O 3.03Å; D211-K222 WeakPolarHBondContact OD1-CE 3.45Å; D211-K222 WeakPolarHBondContact OD2-CD 3.16Å; D211-K222 WeakPolarHBondContact OD2-CE 3.31Å; K222-D226 IonicContact NZ-OD2 3.87Å; K222-W227 HydrophobicContact CB-CB 4.06Å; K222-R230 VanDerWaalsContact CE-CD 3.46Å; K222-R230 VanDerWaalsContact CE-NE 3.3Å; K222-R230 VanDerWaalsContact NZ-NH2 3.18Å
223N95.1Very high94.4Very high99 Ų9970.9 Ų70.953%0.52937%0.367SS..PPolyproline II helixtrans-63.4151.1162.969.976.3000109.1E225 D226 W227N223-E225 VanDerWaalsContact C-N 3.26Å; N223-E225 PolarHBondContact O-N 2.97Å; N223-E225 PolarHBondContact OD1-N 3.37Å; N223-D226 PolarHBondContact O-N 2.87Å; N223-D226 PolarHBondContact OD1-N 3.48Å; N223-W227 WeakPolarHBondContact O-CB 3.49Å; N223-W227 PolarHBondContact O-N 3.1Å
224L94.2Very high94.4Very high78 Ų7871.7 Ų71.741%0.40837%0.372SS..Hα-helixtrans-59.4-35.8-172.2179.659.2000112.7W134 Y177 W227 C228W134-L224 HydrophobicContact CH2-CD1 4.18Å; W134-L224 HydrophobicContact CZ3-CD1 3.81Å; Y177-L224 HydrophobicContact CD1-CB 4.31Å; Y177-L224 HydrophobicContact CD1-CD1 4.13Å; Y177-L224 HydrophobicContact CD2-CD1 3.77Å; Y177-L224 HydrophobicContact CE1-CB 4.42Å; Y177-L224 HydrophobicContact CE1-CD1 4.42Å; Y177-L224 HydrophobicContact CE2-CD1 4.11Å; Y177-L224 HydrophobicContact CG-CD1 3.79Å; L224-W227 HydrophobicContact CD1-CE3 4.1Å; L224-W227 PolarHBondContact O-N 3.14Å; L224-C228 WeakPolarHBondContact O-CB 3.4Å; L224-C228 PolarHBondContact O-N 3.06Å; L224-C228 PolarHBondContact O-SG 3.19Å
225E95Very high94.5Very high166 Ų16673.9 Ų73.978%0.77639%0.387SS*.Hα-helixtrans-69.6-49.9-178.6-170.4178.7179.800112.6N223 W227 C228 G229N223-E225 VanDerWaalsContact C-N 3.26Å; N223-E225 PolarHBondContact O-N 2.97Å; N223-E225 PolarHBondContact OD1-N 3.37Å; E225-W227 VanDerWaalsContact C-N 3.26Å; E225-W227 PolarHBondContact O-N 3.27Å; E225-C228 PolarHBondContact O-N 3.26Å; E225-G229 PolarHBondContact O-N 3.2Å
226D94.7Very high94.6Very high54 Ų5475.2 Ų75.229%0.28939%0.393SS..Hα-helixtrans-59.9-40.1174.1179.333.6000110.6K222 N223 G229 R230K222-D226 IonicContact NZ-OD2 3.87Å; N223-D226 PolarHBondContact O-N 2.87Å; N223-D226 PolarHBondContact OD1-N 3.48Å; D226-G229 PolarHBondContact O-N 2.69Å; D226-R230 VanDerWaalsContact CG-NE 3.33Å; D226-R230 VanDerWaalsContact O-CG 3.31Å; D226-R230 WeakPolarHBondContact O-CG 3.27Å; D226-R230 PolarHBondContact O-N 3.21Å; D226-R230 VanDerWaalsContact O-N 3.08Å; D226-R230 IonicContact OD1-CZ 3.97Å; D226-R230 IonicContact OD1-NE 3.62Å; D226-R230 PolarHBondContact OD1-NE 3.27Å; D226-R230 IonicContact OD1-NH2 2.64Å; D226-R230 PolarHBondContact OD1-NH2 3.39Å; D226-R230 IonicContact OD2-CZ 3.35Å; D226-R230 IonicContact OD2-NE 3.63Å; D226-R230 PolarHBondContact OD2-NE 2.96Å; D226-R230 VanDerWaalsContact OD2-NE 3.09Å; D226-R230 IonicContact OD2-NH2 3.72Å; D226-R230 PolarHBondContact OD2-NH2 3.34Å
227W95.1Very high94.7Very high2 Ų273.7 Ų73.71%0.00839%0.386CS..Hα-helixtrans-61.9-51.3176.5-17886.4000112W134 Y136 Y177 F180 P208 K222 N223 L224 E225 G229 R230 V231W134-W227 AromaticContact CE3-CH2 3.88Å; W134-W227 HydrophobicContact CE3-CH2 3.88Å; W134-W227 AromaticContact CE3-CZ3 3.89Å; W134-W227 HydrophobicContact CE3-CZ3 3.89Å; W134-W227 HydrophobicContact CZ3-CZ3 4.12Å; Y136-W227 HydrophobicContact CE1-CH2 4.16Å; Y136-W227 AromaticContact CE1-CZ3 3.93Å; Y136-W227 HydrophobicContact CE1-CZ3 3.93Å; Y177-W227 AromaticContact CE2-CD2 3.66Å; Y177-W227 HydrophobicContact CE2-CD2 3.66Å; Y177-W227 AromaticContact CE2-CE2 3.88Å; Y177-W227 AromaticContact CE2-CE3 3.94Å; Y177-W227 HydrophobicContact CE2-CE3 3.94Å; Y177-W227 AromaticContact CE2-CG 3.93Å; Y177-W227 HydrophobicContact CE2-CG 3.93Å; Y177-W227 HydrophobicContact CE2-CZ2 4.31Å; Y177-W227 HydrophobicContact CE2-CZ3 4.41Å; Y177-W227 AromaticContact CZ-CG 3.88Å; Y177-W227 WeakPolarHBondContact OH-CB 3.37Å; Y177-W227 VanDerWaalsContact OH-CD1 3.28Å; F180-W227 HydrophobicContact CD1-CZ2 4.39Å; F180-W227 HydrophobicContact CE1-CH2 4.33Å; F180-W227 AromaticContact CE1-CZ2 3.62Å; F180-W227 HydrophobicContact CE1-CZ2 3.62Å; F180-W227 HydrophobicContact CZ-CZ2 4.29Å; P208-W227 VanDerWaalsContact CA-CZ2 3.45Å; P208-W227 HydrophobicContact CB-CH2 3.81Å; P208-W227 HydrophobicContact CB-CZ2 3.5Å; P208-W227 VanDerWaalsContact CB-CZ2 3.5Å; P208-W227 HydrophobicContact CG-CH2 4.07Å; P208-W227 HydrophobicContact CG-CZ2 4.18Å; P208-W227 PolarHBondContact O-NE1 3.21Å; K222-W227 HydrophobicContact CB-CB 4.06Å; N223-W227 WeakPolarHBondContact O-CB 3.49Å; N223-W227 PolarHBondContact O-N 3.1Å; L224-W227 HydrophobicContact CD1-CE3 4.1Å; L224-W227 PolarHBondContact O-N 3.14Å; E225-W227 VanDerWaalsContact C-N 3.26Å; E225-W227 PolarHBondContact O-N 3.27Å; W227-G229 VanDerWaalsContact C-N 3.3Å; W227-G229 PolarHBondContact O-N 3.1Å; W227-R230 WeakPolarHBondContact O-CB 3.47Å; W227-R230 PolarHBondContact O-N 2.81Å; W227-V231 HydrophobicContact CD2-CG2 3.9Å; W227-V231 HydrophobicContact CE3-CG2 4.14Å; W227-V231 HydrophobicContact CH2-CG2 3.93Å; W227-V231 HydrophobicContact CZ2-CG2 3.71Å; W227-V231 HydrophobicContact CZ3-CG2 4.14Å; W227-V231 WeakPolarHBondContact O-CG2 3.37Å; W227-V231 PolarHBondContact O-N 3.14Å
228C94.1Very high94.8Very high37 Ų3774.5 Ų74.525%0.2539%0.388CS..Hα-helixtrans-56.2-45.1177-78.50000111.4L224 E225 R230 V231 Q232L224-C228 WeakPolarHBondContact O-CB 3.4Å; L224-C228 PolarHBondContact O-N 3.06Å; L224-C228 PolarHBondContact O-SG 3.19Å; E225-C228 PolarHBondContact O-N 3.26Å; C228-R230 VanDerWaalsContact C-N 3.26Å; C228-R230 PolarHBondContact O-N 3.31Å; C228-V231 PolarHBondContact O-N 3.22Å; C228-Q232 WeakPolarHBondContact O-CG 3.38Å; C228-Q232 PolarHBondContact O-N 3.49Å
229G95Very high95Very high19 Ų1971.5 Ų71.520%0.19636%0.356CS..Hα-helixtrans-63.2-28.6177.800000113.7E225 D226 W227 R233E225-G229 PolarHBondContact O-N 3.2Å; D226-G229 PolarHBondContact O-N 2.69Å; W227-G229 VanDerWaalsContact C-N 3.3Å; W227-G229 PolarHBondContact O-N 3.1Å; G229-R233 WeakPolarHBondContact O-CG 3.47Å; G229-R233 PolarHBondContact O-NE 2.91Å; G229-R233 PolarHBondContact O-NH2 3.1Å
230R94.4Very high95.1Very high111 Ų11166.8 Ų66.842%0.41934%0.342SS..Hα-helixtrans-77.2-44.1173.9-71.1167.6-172.4-106.30.1112K222 D226 W227 C228 Q232 R233 T234K222-R230 VanDerWaalsContact CE-CD 3.46Å; K222-R230 VanDerWaalsContact CE-NE 3.3Å; K222-R230 VanDerWaalsContact NZ-NH2 3.18Å; D226-R230 VanDerWaalsContact CG-NE 3.33Å; D226-R230 VanDerWaalsContact O-CG 3.31Å; D226-R230 WeakPolarHBondContact O-CG 3.27Å; D226-R230 PolarHBondContact O-N 3.21Å; D226-R230 VanDerWaalsContact O-N 3.08Å; D226-R230 IonicContact OD1-CZ 3.97Å; D226-R230 IonicContact OD1-NE 3.62Å; D226-R230 PolarHBondContact OD1-NE 3.27Å; D226-R230 IonicContact OD1-NH2 2.64Å; D226-R230 PolarHBondContact OD1-NH2 3.39Å; D226-R230 IonicContact OD2-CZ 3.35Å; D226-R230 IonicContact OD2-NE 3.63Å; D226-R230 PolarHBondContact OD2-NE 2.96Å; D226-R230 VanDerWaalsContact OD2-NE 3.09Å; D226-R230 IonicContact OD2-NH2 3.72Å; D226-R230 PolarHBondContact OD2-NH2 3.34Å; W227-R230 WeakPolarHBondContact O-CB 3.47Å; W227-R230 PolarHBondContact O-N 2.81Å; C228-R230 VanDerWaalsContact C-N 3.26Å; C228-R230 PolarHBondContact O-N 3.31Å; R230-Q232 VanDerWaalsContact C-N 3.34Å; R230-Q232 PolarHBondContact O-N 2.78Å; R230-R233 PolarHBondContact O-N 2.95Å; R230-T234 PolarHBondContact O-N 3.41Å; R230-T234 PolarHBondContact O-OG1 3.38Å
231V94.7Very high95.2Very high18 Ų1861.9 Ų61.911%0.10931%0.308CS..Hα-helixtrans-57.1-49.2178.4169.90000110.6A207 P208 W227 C228 R233 T234A207-V231 HydrophobicContact CB-CG1 4Å; P208-V231 HydrophobicContact CG-CG1 3.87Å; P208-V231 HydrophobicContact CG-CG2 4.32Å; W227-V231 HydrophobicContact CD2-CG2 3.9Å; W227-V231 HydrophobicContact CE3-CG2 4.14Å; W227-V231 HydrophobicContact CH2-CG2 3.93Å; W227-V231 HydrophobicContact CZ2-CG2 3.71Å; W227-V231 HydrophobicContact CZ3-CG2 4.14Å; W227-V231 WeakPolarHBondContact O-CG2 3.37Å; W227-V231 PolarHBondContact O-N 3.14Å; C228-V231 PolarHBondContact O-N 3.22Å; V231-R233 VanDerWaalsContact C-N 3.25Å; V231-R233 PolarHBondContact O-N 3.33Å; V231-T234 PolarHBondContact O-N 3.25Å
232Q93.6Very high95.4Very high164 Ų16458.7 Ų58.777%0.76629%0.286SS*.Hα-helixtrans-61.9-29.5-179.4-71.5175-2.600113.8C228 R230C228-Q232 WeakPolarHBondContact O-CG 3.38Å; C228-Q232 PolarHBondContact O-N 3.49Å; R230-Q232 VanDerWaalsContact C-N 3.34Å; R230-Q232 PolarHBondContact O-N 2.78Å
233R94.2Very high95.5Very high188 Ų18857.5 Ų57.571%0.70928%0.281SS*.Hα-helixtrans-90.8-8.1-179.2-72.3-177.3-72.2-167-3.1114.1G229 R230 V231 P235G229-R233 WeakPolarHBondContact O-CG 3.47Å; G229-R233 PolarHBondContact O-NE 2.91Å; G229-R233 PolarHBondContact O-NH2 3.1Å; R230-R233 PolarHBondContact O-N 2.95Å; V231-R233 VanDerWaalsContact C-N 3.25Å; V231-R233 PolarHBondContact O-N 3.33Å; R233-P235 VanDerWaalsContact O-CD 3.29Å; R233-P235 WeakPolarHBondContact O-CD 3.36Å
234T94.8Very high95.5Very high18 Ų1853.7 Ų53.711%0.1126%0.26CS..  trans-77.7114.3-175.5-63.80000109.7R17 A207 F210 R230 V231 F238R17-T234 PolarHBondContact NH1-O 3.21Å; A207-T234 HydrophobicContact CB-CG2 3.84Å; F210-T234 HydrophobicContact CD2-CG2 4.46Å; F210-T234 HydrophobicContact CE2-CG2 4.36Å; R230-T234 PolarHBondContact O-N 3.41Å; R230-T234 PolarHBondContact O-OG1 3.38Å; V231-T234 PolarHBondContact O-N 3.25Å; T234-F238 HydrophobicContact CG2-CB 3.96Å; T234-F238 HydrophobicContact CG2-CD1 3.64Å; T234-F238 HydrophobicContact CG2-CG 4.15Å
235P95.9Very high95.5Very high69 Ų6952.5 Ų52.545%0.44826%0.256SS..  trans-76.4167.1-176.830.8-33.1000112.4R17 R233 F238R17-P235 VanDerWaalsContact CD-O 3.31Å; R17-P235 WeakPolarHBondContact CD-O 3.49Å; R233-P235 VanDerWaalsContact O-CD 3.29Å; R233-P235 WeakPolarHBondContact O-CD 3.36Å; P235-F238 HydrophobicContact CG-CB 4.05Å; P235-F238 VanDerWaalsContact O-CB 3.31Å; P235-F238 WeakPolarHBondContact O-CB 3.22Å; P235-F238 PolarHBondContact O-N 3.22Å
236H96.8Very high95.1Very high46 Ų4655.6 Ų55.621%0.21326%0.261CS..THydrogen-bonded Turntrans-54.8145.1170.7-62.6-51000111.6H18 G19 E24 F238H18-H236 AromaticContact CE1-ND1 3.92Å; H18-H236 AromaticContact ND1-ND1 3.97Å; H18-H236 WeakPolarHBondContact O-CA 3.4Å; H18-H236 PolarHBondContact O-ND1 3.16Å; G19-H236 PolarHBondContact O-ND1 3.27Å; E24-H236 IonicContact OE1-CE1 3.53Å; E24-H236 IonicContact OE2-CE1 3.44Å; E24-H236 PolarHBondContact OE2-CE1 2.87Å; E24-H236 IonicContact OE2-NE2 2.72Å; E24-H236 PolarHBondContact OE2-NE2 3.33Å; E24-H236 VanDerWaalsContact OE2-NE2 3.13Å; H236-F238 PolarHBondContact O-N 3.46Å
237L97.8Very high94.8Very high4 Ų462.2 Ų62.22%0.02129%0.287CS..THydrogen-bonded Turntrans59.67.9178.2-52.8170.1000115.3M16 R17 H18 T77 A78 M81 T106 F260M16-L237 HydrophobicContact SD-CD2 3.91Å; R17-L237 WeakPolarHBondContact O-CA 3.18Å; R17-L237 PolarHBondContact O-N 3.15Å; H18-L237 PolarHBondContact O-N 3.28Å; T77-L237 WeakPolarHBondContact OG1-CD1 3.28Å; A78-L237 HydrophobicContact CB-CD2 4.23Å; M81-L237 HydrophobicContact CE-CB 4.26Å; M81-L237 HydrophobicContact CG-CB 4.13Å; M81-L237 HydrophobicContact CG-CD1 3.74Å; M81-L237 HydrophobicContact CG-CD2 4.3Å; M81-L237 HydrophobicContact CG-CG 4.27Å; M81-L237 HydrophobicContact SD-CB 4.42Å; M81-L237 HydrophobicContact SD-CD1 4.48Å; T106-L237 HydrophobicContact CG2-CD2 3.82Å; L237-F260 HydrophobicContact CD1-CD1 4.29Å
238F97.1Very high94.5Very high64 Ų6464 Ų6428%0.28131%0.306SS..  trans-57146.8171-177.5-116.5000110.2M16 R17 F210 T234 P235 H236 V240M16-F238 WeakPolarHBondContact CA-O 3.24Å; R17-F238 PolarHBondContact N-O 2.87Å; F210-F238 AromaticContact CD2-CD1 3.68Å; F210-F238 HydrophobicContact CD2-CD1 3.68Å; F210-F238 AromaticContact CD2-CE1 3.84Å; F210-F238 HydrophobicContact CD2-CE1 3.84Å; F210-F238 HydrophobicContact CE2-CB 4.41Å; F210-F238 AromaticContact CE2-CD1 3.21Å; F210-F238 HydrophobicContact CE2-CD1 3.21Å; F210-F238 AromaticContact CE2-CE1 3.74Å; F210-F238 HydrophobicContact CE2-CE1 3.74Å; F210-F238 HydrophobicContact CE2-CG 4.16Å; F210-F238 HydrophobicContact CZ-CD1 4.21Å; F210-F238 VanDerWaalsContact CZ-O 3.3Å; F210-F238 WeakPolarHBondContact CZ-O 3.36Å; T234-F238 HydrophobicContact CG2-CB 3.96Å; T234-F238 HydrophobicContact CG2-CD1 3.64Å; T234-F238 HydrophobicContact CG2-CG 4.15Å; P235-F238 HydrophobicContact CG-CB 4.05Å; P235-F238 VanDerWaalsContact O-CB 3.31Å; P235-F238 WeakPolarHBondContact O-CB 3.22Å; P235-F238 PolarHBondContact O-N 3.22Å; H236-F238 PolarHBondContact O-N 3.46Å; F238-V240 HydrophobicContact CE1-CG1 3.84Å; F238-V240 HydrophobicContact CZ-CG1 4.29Å
239M97.1Very high94.5Very high2 Ų269.5 Ų69.51%0.0133%0.326CS..EExtended strand (participates in β ladder)trans-128.2145.8-179.7-63.8-167.5-148.500113.3I14 I15 M16 M81 L85 P255 P256 I257I14-M239 HydrophobicContact CG2-CB 4.43Å; I14-M239 HydrophobicContact CG2-CG 4.35Å; I14-M239 HydrophobicContact CG2-SD 3.54Å; I14-M239 VanDerWaalsContact CG2-SD 3.54Å; I15-M239 CarbonylContact O-C 3.54Å; I15-M239 WeakPolarHBondContact O-CA 3.48Å; M16-M239 HydrophobicContact CB-CG 4.06Å; M16-M239 HydrophobicContact CE-CE 3.17Å; M16-M239 HydrophobicContact CE-CG 4.49Å; M16-M239 HydrophobicContact CE-SD 3.99Å; M16-M239 HydrophobicContact CG-CE 4.29Å; M16-M239 HydrophobicContact CG-CG 3.91Å; M16-M239 HydrophobicContact SD-CE 4.21Å; M81-M239 HydrophobicContact CE-CE 3.19Å; L85-M239 HydrophobicContact CD1-CE 4.41Å; L85-M239 HydrophobicContact CD2-CE 4.31Å; M239-P255 HydrophobicContact CB-CB 3.87Å; M239-P256 HydrophobicContact SD-CG 4.21Å; M239-I257 HydrophobicContact CE-CB 4.28Å; M239-I257 HydrophobicContact CE-CD1 4Å; M239-I257 HydrophobicContact CE-CG1 4.46Å
240V95.9Very high94.6Very high29 Ų2970 Ų7018%0.17632%0.322CS..EExtended strand (participates in β ladder)trans-121150.6159.7-66.30000109.2I14 I15 F210 F238 Y242I14-V240 WeakPolarHBondContact CA-O 3.3Å; I15-V240 HydrophobicContact CB-CG2 3.77Å; I15-V240 HydrophobicContact CD1-CG2 4.23Å; I15-V240 HydrophobicContact CG1-CG2 4.22Å; I15-V240 PolarHBondContact N-O 2.9Å; I15-V240 PolarHBondContact O-N 3.49Å; F210-V240 HydrophobicContact CD2-CB 4.43Å; F210-V240 HydrophobicContact CD2-CG1 3.75Å; F210-V240 HydrophobicContact CD2-CG2 3.88Å; F210-V240 HydrophobicContact CE2-CG1 4.11Å; F210-V240 HydrophobicContact CE2-CG2 4.14Å; F210-V240 HydrophobicContact CG-CG2 4.36Å; F238-V240 HydrophobicContact CE1-CG1 3.84Å; F238-V240 HydrophobicContact CZ-CG1 4.29Å; V240-Y242 HydrophobicContact CB-CE2 4.2Å; V240-Y242 HydrophobicContact CG2-CE2 3.9Å
241A96.6Very high94.6Very high3 Ų367.3 Ų67.33%0.02532%0.319CS..EExtended strand (participates in β ladder)trans-137144.7-178.300000111.4V13 I14 P252 I253 P255V13-A241 CarbonylContact O-C 3.48Å; V13-A241 VanDerWaalsContact O-CA 3.28Å; V13-A241 WeakPolarHBondContact O-CA 3.45Å; I14-A241 HydrophobicContact CG1-CB 4.2Å; A241-P252 WeakPolarHBondContact O-CA 3.43Å; A241-I253 HydrophobicContact CB-CD1 4.2Å; A241-I253 HydrophobicContact CB-CG1 3.7Å; A241-I253 PolarHBondContact O-N 3.06Å; A241-P255 HydrophobicContact CB-CB 4.37Å
242Y96.9Very high94.6Very high9 Ų969.7 Ų69.74%0.03534%0.335CS..EExtended strand (participates in β ladder)trans-135.1147.3179.2-58.1-96000109.9R12 V13 I15 F213 N214 I217 V240 C251 P252R12-Y242 CarbonylContact C-O 3.58Å; R12-Y242 WeakPolarHBondContact CA-O 3.34Å; R12-Y242 WeakPolarHBondContact CG-O 3.43Å; V13-Y242 PolarHBondContact N-O 3.26Å; V13-Y242 PolarHBondContact O-N 2.98Å; I15-Y242 HydrophobicContact CD1-CE2 4.42Å; F213-Y242 HydrophobicContact CB-CD2 3.89Å; F213-Y242 HydrophobicContact CB-CE1 4.46Å; F213-Y242 HydrophobicContact CB-CE2 3.55Å; F213-Y242 HydrophobicContact CB-CG 4.49Å; F213-Y242 AromaticContact CD1-CD1 3.53Å; F213-Y242 HydrophobicContact CD1-CD1 3.53Å; F213-Y242 AromaticContact CD1-CD2 3.44Å; F213-Y242 HydrophobicContact CD1-CD2 3.44Å; F213-Y242 VanDerWaalsContact CD1-CD2 3.44Å; F213-Y242 AromaticContact CD1-CE1 3.98Å; F213-Y242 HydrophobicContact CD1-CE1 3.98Å; F213-Y242 AromaticContact CD1-CE2 3.91Å; F213-Y242 HydrophobicContact CD1-CE2 3.91Å; F213-Y242 AromaticContact CD1-CG 3.25Å; F213-Y242 HydrophobicContact CD1-CG 3.25Å; F213-Y242 VanDerWaalsContact CE1-CB 3.44Å; F213-Y242 HydrophobicContact CE1-CD1 4.08Å; F213-Y242 HydrophobicContact CE1-CD2 4.12Å; F213-Y242 AromaticContact CE1-CG 3.63Å; F213-Y242 HydrophobicContact CE1-CG 3.63Å; F213-Y242 HydrophobicContact CG-CD1 4.48Å; F213-Y242 AromaticContact CG-CD2 3.7Å; F213-Y242 HydrophobicContact CG-CD2 3.7Å; F213-Y242 AromaticContact CG-CE2 3.93Å; F213-Y242 HydrophobicContact CG-CE2 3.93Å; F213-Y242 HydrophobicContact CG-CG 4.01Å; N214-Y242 PolarHBondContact ND2-OH 2.85Å; N214-Y242 PolarHBondContact OD1-OH 3.38Å; I217-Y242 HydrophobicContact CD1-CD1 4.43Å; I217-Y242 HydrophobicContact CD1-CE1 4.29Å; V240-Y242 HydrophobicContact CB-CE2 4.2Å; V240-Y242 HydrophobicContact CG2-CE2 3.9Å; Y242-C251 CarbonylContact C-O 3.58Å; Y242-C251 VanDerWaalsContact CA-O 3.28Å; Y242-C251 WeakPolarHBondContact CA-O 3.45Å; Y242-P252 HydrophobicContact CD1-CB 4.04Å; Y242-P252 HydrophobicContact CE1-CB 3.97Å
243E96.2Very high94.6Very high27 Ų2764.3 Ų64.313%0.12631%0.311CS..EExtended strand (participates in β ladder)trans-133.4138.1176.3-176.8168.611200111.1K9 R11 R12 W250 C251 I253K9-E243 WeakPolarHBondContact CB-OE1 3.38Å; K9-E243 PolarHBondContact N-OE1 3.32Å; R11-E243 WeakPolarHBondContact O-CA 3.36Å; R12-E243 IonicContact CZ-OE2 3.26Å; R12-E243 VanDerWaalsContact CZ-OE2 3.26Å; R12-E243 IonicContact NE-OE2 3.05Å; R12-E243 PolarHBondContact NE-OE2 2.86Å; R12-E243 IonicContact NH2-OE2 2.69Å; R12-E243 PolarHBondContact NH2-OE2 3.37Å; E243-W250 WeakPolarHBondContact O-CA 3.5Å; E243-C251 PolarHBondContact N-O 3.26Å; E243-C251 PolarHBondContact O-N 3.16Å; E243-I253 HydrophobicContact CB-CD1 4Å; E243-I253 HydrophobicContact CB-CG1 4.48Å; E243-I253 HydrophobicContact CB-CG2 4Å
244E96.2Very high94.7Very high20 Ų2063.8 Ų63.89%0.09331%0.314CS..EExtended strand (participates in β ladder)trans-78121.7172.1-170.5-176.2-149.700109.9G10 R11 W250G10-E244 WeakPolarHBondContact CA-O 3.46Å; R11-E244 HydrophobicContact CB-CB 4.15Å; R11-E244 IonicContact CZ-OE1 3.58Å; R11-E244 IonicContact CZ-OE2 2.75Å; R11-E244 IonicContact NE-OE1 2.68Å; R11-E244 IonicContact NE-OE2 2.66Å; R11-E244 PolarHBondContact NE-OE2 3.48Å; R11-E244 VanDerWaalsContact NH2-CD 3.31Å; R11-E244 IonicContact NH2-OE1 3.44Å; R11-E244 PolarHBondContact NH2-OE1 3.26Å; R11-E244 IonicContact NH2-OE2 3.48Å; R11-E244 PolarHBondContact NH2-OE2 2.95Å; R11-E244 WeakPolarHBondContact O-CB 3.34Å; R11-E244 PolarHBondContact O-N 2.93Å; E244-W250 HydrophobicContact CB-CD2 3.94Å; E244-W250 HydrophobicContact CB-CE3 4.09Å; E244-W250 HydrophobicContact CB-CH2 4.1Å; E244-W250 HydrophobicContact CB-CZ2 3.92Å; E244-W250 HydrophobicContact CB-CZ3 4.17Å; E244-W250 HydrophobicContact CG-CZ2 4.45Å
245T92.5Very high94.7Very high53 Ų5364.3 Ų64.333%0.32532%0.317SS..  trans-69.9163.5172.965.20000111.1K247 G248 K249T245-K247 PolarHBondContact O-N 2.88Å; T245-G248 PolarHBondContact O-N 3.14Å; T245-K249 WeakPolarHBondContact CB-O 3.46Å; T245-K249 VanDerWaalsContact CG2-O 3.31Å; T245-K249 WeakPolarHBondContact CG2-O 3.48Å; T245-K249 PolarHBondContact N-O 2.62Å; T245-K249 PolarHBondContact OG1-N 3.38Å; T245-K249 PolarHBondContact OG1-O 3.43Å
246R87Confident94.7Very high231 Ų23161.8 Ų61.887%0.87230%0.301SS*.THydrogen-bonded Turntrans-55.8-20.9174.1-66.1-176.5179.5177.5-0.7114.3
247K89.3Confident94.6Very high192 Ų19260.4 Ų60.484%0.83530%0.295SS*.THydrogen-bonded Turntrans-91.67.6178-62.8-175.2178-177.10113.3T245 K249T245-K247 PolarHBondContact O-N 2.88Å; K247-K249 VanDerWaalsContact C-N 3.25Å; K247-K249 PolarHBondContact O-N 3.25Å
248G89.4Confident94Very high39 Ų3962.3 Ų62.340%0.40232%0.316SS..SBendtrans77.32.8-178.500000114.9T245T245-G248 PolarHBondContact O-N 3.14Å
249K93.5Very high93.4Very high154 Ų15464.4 Ų64.467%0.6733%0.334SS*.  trans-83.6139173.7-66.2-169.3175.6-170.20110.3T245 K247T245-K249 WeakPolarHBondContact CB-O 3.46Å; T245-K249 VanDerWaalsContact CG2-O 3.31Å; T245-K249 WeakPolarHBondContact CG2-O 3.48Å; T245-K249 PolarHBondContact N-O 2.62Å; T245-K249 PolarHBondContact OG1-N 3.38Å; T245-K249 PolarHBondContact OG1-O 3.43Å; K247-K249 VanDerWaalsContact C-N 3.25Å; K247-K249 PolarHBondContact O-N 3.25Å
250W96.2Very high93Very high29 Ų2967.2 Ų67.211%0.1135%0.346CS..EExtended strand (participates in β ladder)trans-92.3141.5174.8-71.788.3000111.8R11 V13 V192 F213 F216 I217 E243 E244R11-W250 HydrophobicContact CB-CH2 3.53Å; R11-W250 HydrophobicContact CB-CZ2 3.92Å; R11-W250 HydrophobicContact CB-CZ3 4.44Å; R11-W250 WeakPolarHBondContact O-CZ3 3.47Å; V13-W250 HydrophobicContact CB-CZ3 4.43Å; V13-W250 HydrophobicContact CG2-CH2 3.91Å; V13-W250 HydrophobicContact CG2-CZ3 3.99Å; V192-W250 HydrophobicContact CG1-CZ2 3.73Å; V192-W250 HydrophobicContact CG2-CH2 4.47Å; V192-W250 HydrophobicContact CG2-CZ2 4.1Å; F213-W250 HydrophobicContact CE1-CB 4.22Å; F213-W250 AromaticContact CE1-CD2 3.76Å; F213-W250 HydrophobicContact CE1-CD2 3.76Å; F213-W250 AromaticContact CE1-CE3 3.53Å; F213-W250 HydrophobicContact CE1-CE3 3.53Å; F213-W250 HydrophobicContact CE1-CG 4.08Å; F213-W250 HydrophobicContact CE1-CZ3 4.11Å; F213-W250 AromaticContact CZ-CD2 3.72Å; F213-W250 HydrophobicContact CZ-CD2 3.72Å; F213-W250 AromaticContact CZ-CE3 3.49Å; F213-W250 HydrophobicContact CZ-CE3 3.49Å; F213-W250 VanDerWaalsContact CZ-CE3 3.49Å; F213-W250 HydrophobicContact CZ-CG 4.39Å; F213-W250 HydrophobicContact CZ-CH2 4Å; F213-W250 HydrophobicContact CZ-CZ2 4.24Å; F213-W250 AromaticContact CZ-CZ3 3.64Å; F213-W250 HydrophobicContact CZ-CZ3 3.64Å; F216-W250 AromaticContact CE1-CD1 3.88Å; F216-W250 HydrophobicContact CE1-CG 4.38Å; F216-W250 AromaticContact CE1-NE1 3.72Å; I217-W250 HydrophobicContact CB-CB 4.27Å; I217-W250 HydrophobicContact CG2-CB 3.36Å; I217-W250 HydrophobicContact CG2-CG 3.94Å; E243-W250 WeakPolarHBondContact O-CA 3.5Å; E244-W250 HydrophobicContact CB-CD2 3.94Å; E244-W250 HydrophobicContact CB-CE3 4.09Å; E244-W250 HydrophobicContact CB-CH2 4.1Å; E244-W250 HydrophobicContact CB-CZ2 3.92Å; E244-W250 HydrophobicContact CB-CZ3 4.17Å; E244-W250 HydrophobicContact CG-CZ2 4.45Å
251C94.4Very high92.7Very high55 Ų5570.7 Ų70.737%0.37237%0.371SS..EExtended strand (participates in β ladder)trans-134.6142.9176.6-63.60000110.8Y242 E243Y242-C251 CarbonylContact C-O 3.58Å; Y242-C251 VanDerWaalsContact CA-O 3.28Å; Y242-C251 WeakPolarHBondContact CA-O 3.45Å; E243-C251 PolarHBondContact N-O 3.26Å; E243-C251 PolarHBondContact O-N 3.16Å
252P94.5Very high92.4Very high67 Ų6775.3 Ų75.344%0.43539%0.392SS..EExtended strand (participates in β ladder)trans-64.3141169.228.8-33.6000109.9A241 Y242A241-P252 WeakPolarHBondContact O-CA 3.43Å; Y242-P252 HydrophobicContact CD1-CB 4.04Å; Y242-P252 HydrophobicContact CE1-CB 3.97Å
253I94.9Very high92.1Very high52 Ų5279 Ų7927%0.26742%0.424SS..EExtended strand (participates in β ladder)trans-127.6164.1175.559.6165.9000109.8Y5 R12 A241 E243Y5-I253 WeakPolarHBondContact OH-CD1 3.28Å; R12-I253 HydrophobicContact CG-CD1 4.4Å; A241-I253 HydrophobicContact CB-CD1 4.2Å; A241-I253 HydrophobicContact CB-CG1 3.7Å; A241-I253 PolarHBondContact O-N 3.06Å; E243-I253 HydrophobicContact CB-CD1 4Å; E243-I253 HydrophobicContact CB-CG1 4.48Å; E243-I253 HydrophobicContact CB-CG2 4Å
254K95Very high91.8Very high177 Ų17787 Ų8777%0.7746%0.461SS*.  trans-63.4126.8174.7-177.4180178.9177.20109.2Y5Y5-K254 WeakPolarHBondContact CE2-O 3.4Å; Y5-K254 PolarHBondContact OH-O 3.37Å
255P95.8Very high91.5Very high28 Ų2893.5 Ų93.518%0.18250%0.497CS..  trans-63.6154.1176.527.6-34.9000111.4M239 A241 I257M239-P255 HydrophobicContact CB-CB 3.87Å; A241-P255 HydrophobicContact CB-CB 4.37Å; P255-I257 VanDerWaalsContact C-N 3.26Å; P255-I257 PolarHBondContact O-N 3.1Å
256P95.2Very high91.3Very high17 Ų1793.9 Ų93.911%0.1151%0.511CS..SBendtrans-65.3-29.9-17726.1-34.6000113.4Y5 I14 L85 L88 V90 M239Y5-P256 HydrophobicContact CD1-CB 4.2Å; Y5-P256 HydrophobicContact CD2-CB 3.68Å; Y5-P256 HydrophobicContact CE1-CB 4.16Å; Y5-P256 HydrophobicContact CE2-CB 3.66Å; Y5-P256 HydrophobicContact CG-CB 3.96Å; I14-P256 HydrophobicContact CD1-CG 4.17Å; L85-P256 HydrophobicContact CD2-CB 3.93Å; L85-P256 HydrophobicContact CD2-CG 3.47Å; L85-P256 VanDerWaalsContact CD2-CG 3.47Å; L88-P256 HydrophobicContact CD1-CB 4.37Å; L88-P256 WeakPolarHBondContact CD1-O 3.46Å; V90-P256 HydrophobicContact CG1-CG 4.44Å; V90-P256 HydrophobicContact CG2-CB 3.47Å; V90-P256 VanDerWaalsContact CG2-CB 3.47Å; V90-P256 HydrophobicContact CG2-CG 4.17Å; M239-P256 HydrophobicContact SD-CG 4.21Å
257I94.9Very high91.3Very high17 Ų1790 Ų909%0.08750%0.5CS..SBendtrans-121.9126.3176.4-55.8172000106.8M81 K84 L85 L88 M239 P255M81-I257 HydrophobicContact CE-CB 3.92Å; M81-I257 HydrophobicContact CE-CD1 3.65Å; M81-I257 HydrophobicContact CE-CG1 4.38Å; M81-I257 HydrophobicContact CE-CG2 3.69Å; M81-I257 HydrophobicContact SD-CD1 4.15Å; M81-I257 HydrophobicContact SD-CG2 4.22Å; K84-I257 HydrophobicContact CB-CD1 3.7Å; K84-I257 HydrophobicContact CB-CG1 4.49Å; K84-I257 HydrophobicContact CG-CD1 3.51Å; K84-I257 HydrophobicContact CG-CG1 3.75Å; L85-I257 HydrophobicContact CD2-CD1 3.84Å; L85-I257 HydrophobicContact CD2-CG1 4.2Å; L85-I257 HydrophobicContact CG-CD1 3.83Å; L88-I257 HydrophobicContact CD1-CG1 4.17Å; M239-I257 HydrophobicContact CE-CB 4.28Å; M239-I257 HydrophobicContact CE-CD1 4Å; M239-I257 HydrophobicContact CE-CG1 4.46Å; P255-I257 VanDerWaalsContact C-N 3.26Å; P255-I257 PolarHBondContact O-N 3.1Å
258G85.1Confident91.2Very high44 Ų4487.4 Ų87.445%0.45449%0.489SS..  trans-75.3-60.5-174.200000112.6
259T84.2Confident91.1Very high108 Ų10887.7 Ų87.766%0.66349%0.485SS*.  trans-148156.3179.858.60000110.5
260F88.4Confident90.8Very high61 Ų6187.6 Ų87.627%0.26848%0.482SS..  trans-125.5120.4163.6170.2-103000106.6T77 L80 M81 L237 H262T77-F260 HydrophobicContact CG2-CD1 4.4Å; T77-F260 HydrophobicContact CG2-CE1 3.32Å; T77-F260 HydrophobicContact CG2-CE2 4.17Å; T77-F260 HydrophobicContact CG2-CZ 3.2Å; L80-F260 HydrophobicContact CD2-CE2 4.17Å; M81-F260 HydrophobicContact SD-CB 4.26Å; L237-F260 HydrophobicContact CD1-CD1 4.29Å; F260-H262 AromaticContact CE1-CD2 3.17Å; F260-H262 WeakPolarHBondContact CE1-CD2 3.49Å; F260-H262 AromaticContact CE1-NE2 3.62Å; F260-H262 AromaticContact CZ-CD2 3.52Å
261C90.2Very high90.4Very high101 Ų10192.8 Ų92.868%0.68251%0.505SS*.  trans-129.3135.9-174.6-56.70000109.8
262H91Very high89.8Confident101 Ų10194.8 Ų94.847%0.46851%0.51SS..  trans-149159.3167.661.994.9000109.3F260F260-H262 AromaticContact CE1-CD2 3.17Å; F260-H262 WeakPolarHBondContact CE1-CD2 3.49Å; F260-H262 AromaticContact CE1-NE2 3.62Å; F260-H262 AromaticContact CZ-CD2 3.52Å
263A90.2Very high89.2Confident87 Ų8796.1 Ų96.172%0.71951%0.513SS*.  trans-82.8161.9171.500000110.8
264E88.9Confident88.3Confident194 Ų194101.7 Ų101.791%0.90754%0.535SS*.  trans-68.1152.3170.4-66.1178.6-176.100111.3
265N91.1Very high86.7Confident157 Ų157102.4 Ų102.484%0.8454%0.538SS*.  trans-122.6102.7173.5-170.11.3000110
266G88.1Confident84.6Confident60 Ų60110.7 Ų110.762%0.61958%0.58SS**  trans-66150.5-171.800000113.9F268G266-F268 PolarHBondContact O-N 2.75Å
267K86.6Confident84.1Confident150 Ų150115.4 Ų115.465%0.65260%0.604SS**  trans-66.6128.7173.6-175.8178.6-178.5176.40110.3
268F88.1Confident83.5Confident138 Ų138120.6 Ų120.661%0.60563%0.631SS**  trans-119.7149172.6-164.2-99.5000111.5G266 M272 L273G266-F268 PolarHBondContact O-N 2.75Å; F268-M272 HydrophobicContact CD2-CE 3.62Å; F268-M272 HydrophobicContact CE2-CE 3.88Å; F268-M272 HydrophobicContact CG-CE 4.1Å; F268-L273 HydrophobicContact CE1-CD1 4.12Å; F268-L273 HydrophobicContact CE1-CD2 4.31Å; F268-L273 HydrophobicContact CE1-CG 4Å; F268-L273 HydrophobicContact CZ-CD1 4.44Å; F268-L273 HydrophobicContact CZ-CD2 3.8Å; F268-L273 HydrophobicContact CZ-CG 3.9Å
269S87.3Confident83.5Confident45 Ų45124.8 Ų124.832%0.31564%0.641SS.*  trans-132.9125176.9173.70000108.4K271 M272S269-K271 PolarHBondContact O-N 2.96Å; S269-K271 PolarHBondContact OG-N 3.05Å; S269-M272 VanDerWaalsContact N-CE 3.28Å; S269-M272 WeakPolarHBondContact O-CB 3.46Å; S269-M272 PolarHBondContact O-N 3.12Å
270Y86.5Confident83.4Confident151 Ų151125.8 Ų125.859%0.59264%0.64SS**G310 helixtrans-57.6-22.9177.976.9-91.1000112.6M272 L273Y270-M272 PolarHBondContact O-N 3.44Å; Y270-L273 WeakPolarHBondContact O-CB 3.43Å; Y270-L273 PolarHBondContact O-N 3.35Å
271K87.5Confident83.1Confident138 Ų138129.9 Ų129.960%0.666%0.663SS**G310 helixtrans-63.1-23.9175.6-64.3-174.2-180-177.80112.7S269 L273 K274S269-K271 PolarHBondContact O-N 2.96Å; S269-K271 PolarHBondContact OG-N 3.05Å; K271-L273 VanDerWaalsContact C-N 3.27Å; K271-K274 PolarHBondContact O-N 3.13Å
272M82.7Confident82.6Confident98 Ų98131.8 Ų131.848%0.48366%0.662SS.*G310 helixtrans-69.8-26.6175.1-62.1-169.1-74.200112.1F268 S269 Y270 K274 K275F268-M272 HydrophobicContact CD2-CE 3.62Å; F268-M272 HydrophobicContact CE2-CE 3.88Å; F268-M272 HydrophobicContact CG-CE 4.1Å; S269-M272 VanDerWaalsContact N-CE 3.28Å; S269-M272 WeakPolarHBondContact O-CB 3.46Å; S269-M272 PolarHBondContact O-N 3.12Å; Y270-M272 PolarHBondContact O-N 3.44Å; M272-K274 VanDerWaalsContact C-N 3.26Å; M272-K274 PolarHBondContact O-N 2.92Å; M272-K275 PolarHBondContact O-N 3.13Å
273L82.5Confident82Confident94 Ų94134 Ų13449%0.49268%0.675SS.*G310 helixtrans-69.4-23.4176.2-62.9172.3000112.7F268 Y270 K271 K275 L276F268-L273 HydrophobicContact CE1-CD1 4.12Å; F268-L273 HydrophobicContact CE1-CD2 4.31Å; F268-L273 HydrophobicContact CE1-CG 4Å; F268-L273 HydrophobicContact CZ-CD1 4.44Å; F268-L273 HydrophobicContact CZ-CD2 3.8Å; F268-L273 HydrophobicContact CZ-CG 3.9Å; Y270-L273 WeakPolarHBondContact O-CB 3.43Å; Y270-L273 PolarHBondContact O-N 3.35Å; K271-L273 VanDerWaalsContact C-N 3.27Å; L273-K275 PolarHBondContact O-N 3.43Å; L273-L276 HydrophobicContact CD2-CD1 4.34Å; L273-L276 PolarHBondContact O-N 2.73Å
274K75.4Confident81.4Confident169 Ų169137.6 Ų137.674%0.73567%0.672SS**G310 helixtrans-73.5-1.6177.2-65.1-169.8174.4-169.40113.9K271 M272K271-K274 PolarHBondContact O-N 3.13Å; M272-K274 VanDerWaalsContact C-N 3.26Å; M272-K274 PolarHBondContact O-N 2.92Å
275K62.1Low80.8Confident192 Ų192132.9 Ų132.984%0.83565%0.652SS**G310 helixtrans-102.92.2175-69.2-171.3174.3-172.40113M272 L273M272-K275 PolarHBondContact O-N 3.13Å; L273-K275 PolarHBondContact O-N 3.43Å
276L51.4Low79.8Confident203 Ų203130.7 Ų130.7100%1.06364%0.635SS**  trans-101.70169.9-64.9172000108.8L273L273-L276 HydrophobicContact CD2-CD1 4.34Å; L273-L276 PolarHBondContact O-N 2.73Å

Retrieved 276 of 276 residues in 440.1 ms (Link to these results)

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