A0A077ZKD0_TRITR Loading...

CCHC-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZKD0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 459 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
1M39.7Very low72.3Confident234 Ų234109.3 Ų109.3100%1.15363%0.628SS**  0117.70-66.3-176.6-172.100106.9T3M1-T3 PolarHBondContact O-N 3.18Å; M1-T3 VanDerWaalsContact O-N 3.08Å
2T47.1Very low74.3Confident146 Ų146100.8 Ų100.890%0.89658%0.578SS**  trans-65.5103.1165.418.50000106.4A4T2-A4 PolarHBondContact O-N 3.27Å
3T57.1Low75.9Confident110 Ų11099.2 Ų99.268%0.67557%0.567SS**  trans-60107170.736.30000106.9M1 H5M1-T3 PolarHBondContact O-N 3.18Å; M1-T3 VanDerWaalsContact O-N 3.08Å; T3-H5 PolarHBondContact O-N 3.2Å; T3-H5 VanDerWaalsContact O-N 3.14Å
4A62.5Low77Confident76 Ų7695 Ų9563%0.62854%0.544SS*.  trans-62.8115.2172.900000107.2T2 H6T2-A4 PolarHBondContact O-N 3.27Å; A4-H6 PolarHBondContact O-N 3.25Å
5H67.4Low77.9Confident125 Ų12595.1 Ų95.158%0.57955%0.553SS**  trans-72.2126.6172.3-73.5-59.9000109.1T3 G7 N35T3-H5 PolarHBondContact O-N 3.2Å; T3-H5 VanDerWaalsContact O-N 3.14Å; H5-G7 PolarHBondContact O-N 3.35Å; H5-N35 VanDerWaalsContact CA-OD1 3.24Å; H5-N35 WeakPolarHBondContact CA-OD1 3.42Å; H5-N35 PolarHBondContact ND1-OD1 3.17Å
6H73.5Confident78.6Confident127 Ų12793 Ų9359%0.58854%0.542SS*.  trans-84.9101.5179.1-69.8-67.4000109.5A4 F31 N35A4-H6 PolarHBondContact O-N 3.25Å; H6-F31 WeakPolarHBondContact O-CE2 3.22Å; H6-N35 PolarHBondContact N-OD1 3.49Å; H6-N35 PolarHBondContact O-ND2 3.36Å
7G80.7Confident79.2Confident62 Ų6288.8 Ų88.864%0.63952%0.523SS*.  trans84.1-177.2163.600000116.2H5H5-G7 PolarHBondContact O-N 3.35Å
8N86.5Confident79.6Confident140 Ų14084.5 Ų84.575%0.74950%0.498SS*.  trans-121.3141176.6-173.818.8000108.3
9L91.6Very high79.7Confident10 Ų1082.5 Ų82.55%0.05249%0.485CS..  trans-111.6120.9172.6-176.674.2000107.4W24 R27 F28 F31 Y49L9-W24 HydrophobicContact CD2-CH2 4.3Å; L9-W24 HydrophobicContact CD2-CZ2 3.72Å; L9-W24 HydrophobicContact CG-CZ2 4.36Å; L9-R27 HydrophobicContact CD1-CB 4.26Å; L9-F28 HydrophobicContact CD2-CB 3.98Å; L9-F28 HydrophobicContact CD2-CD2 3.79Å; L9-F28 HydrophobicContact CD2-CG 4.38Å; L9-F31 HydrophobicContact CB-CD1 4.39Å; L9-F31 HydrophobicContact CB-CD2 4.14Å; L9-F31 HydrophobicContact CB-CE2 4.35Å; L9-F31 HydrophobicContact CB-CG 4.16Å; L9-F31 HydrophobicContact CD2-CB 4.37Å; L9-F31 HydrophobicContact CD2-CD1 4.34Å; L9-F31 HydrophobicContact CD2-CG 4.38Å; L9-Y49 HydrophobicContact CB-CD1 3.82Å; L9-Y49 HydrophobicContact CB-CE1 4.34Å; L9-Y49 WeakPolarHBondContact O-CD1 3.41Å
10E93.9Very high80.3Confident93 Ų9379.2 Ų79.244%0.43547%0.468SS..PPolyproline II helixtrans-67150.2179.175.1-80.6-165.400111.7W24 R27E10-W24 PolarHBondContact O-NE1 3.28Å; E10-R27 IonicContact OE1-CZ 2.65Å; E10-R27 IonicContact OE1-NH1 3.88Å; E10-R27 PolarHBondContact OE1-NH1 3.42Å; E10-R27 IonicContact OE1-NH2 3.07Å; E10-R27 PolarHBondContact OE1-NH2 3.07Å; E10-R27 IonicContact OE2-CZ 2.73Å; E10-R27 IonicContact OE2-NH1 3.27Å; E10-R27 PolarHBondContact OE2-NH1 3.41Å; E10-R27 IonicContact OE2-NH2 3.52Å; E10-R27 PolarHBondContact OE2-NH2 3.28Å
11P95.8Very high80.9Confident79 Ų7975.5 Ų75.551%0.51345%0.446SS..PPolyproline II helixtrans-52.2144.7171.8-29.537.5000113.2N13 Y49P11-N13 PolarHBondContact O-N 3.34Å; P11-Y49 WeakPolarHBondContact CA-O 3.37Å
12F96.2Very high83.3Confident7 Ų767.6 Ų67.63%0.03141%0.407CS..PPolyproline II helixtrans-64.6129.6173.6172.9-119.9000110.3V14 T16 G20 W21 W24 G50 L54 F83F12-V14 HydrophobicContact CD1-CG1 4.02Å; F12-V14 HydrophobicContact CE1-CB 4.32Å; F12-V14 HydrophobicContact CE1-CG1 3.96Å; F12-T16 WeakPolarHBondContact CE2-OG1 3.38Å; F12-G20 VanDerWaalsContact CE2-C 3.44Å; F12-G20 WeakPolarHBondContact CE2-O 3.3Å; F12-W21 HydrophobicContact CD1-CE3 4.19Å; F12-W21 HydrophobicContact CD2-CE3 4.4Å; F12-W21 HydrophobicContact CE1-CB 4.48Å; F12-W21 HydrophobicContact CE1-CE3 4.18Å; F12-W21 HydrophobicContact CE2-CB 4.06Å; F12-W21 HydrophobicContact CE2-CE3 4.46Å; F12-W21 HydrophobicContact CG-CE3 4.29Å; F12-W21 HydrophobicContact CZ-CB 3.75Å; F12-W21 HydrophobicContact CZ-CE3 4.34Å; F12-W24 HydrophobicContact CB-CD2 3.81Å; F12-W24 HydrophobicContact CB-CE3 4.33Å; F12-W24 HydrophobicContact CB-CG 3.97Å; F12-W24 HydrophobicContact CB-CZ2 4.38Å; F12-W24 HydrophobicContact CD2-CB 3.75Å; F12-W24 HydrophobicContact CD2-CD2 4.39Å; F12-W24 AromaticContact CD2-CG 3.85Å; F12-W24 HydrophobicContact CD2-CG 3.85Å; F12-W24 HydrophobicContact CE2-CB 4.43Å; F12-W24 HydrophobicContact CG-CD2 4.42Å; F12-W24 HydrophobicContact CG-CG 4.31Å; F12-G50 PolarHBondContact N-O 3Å; F12-G50 VanDerWaalsContact N-O 3.16Å; F12-L54 HydrophobicContact CB-CB 4.43Å; F12-L54 HydrophobicContact CB-CD2 3.91Å; F12-L54 HydrophobicContact CD1-CB 4.12Å; F12-L54 HydrophobicContact CD1-CD1 3.9Å; F12-L54 HydrophobicContact CD1-CD2 4.04Å; F12-L54 HydrophobicContact CD1-CG 4.21Å; F12-L54 HydrophobicContact CE1-CD1 4.35Å; F12-L54 HydrophobicContact CG-CD2 4.3Å; F12-F83 AromaticContact CE1-CE2 3.68Å; F12-F83 HydrophobicContact CE1-CE2 3.68Å; F12-F83 AromaticContact CE1-CZ 3.63Å; F12-F83 HydrophobicContact CE1-CZ 3.63Å; F12-F83 AromaticContact CZ-CE2 3.95Å; F12-F83 HydrophobicContact CZ-CE2 3.95Å; F12-F83 AromaticContact CZ-CZ 3.98Å; F12-F83 HydrophobicContact CZ-CZ 3.98Å
13N94.6Very high85.4Confident81 Ų8164.8 Ų64.843%0.43339%0.386SS..  trans-90.9103.4175.6178.4-1.1000110.3P11 S15 T16P11-N13 PolarHBondContact O-N 3.34Å; N13-S15 VanDerWaalsContact CG-OG 3.24Å; N13-S15 PolarHBondContact ND2-OG 3.36Å; N13-S15 PolarHBondContact O-N 2.81Å; N13-S15 WeakPolarHBondContact OD1-CB 3.07Å; N13-S15 PolarHBondContact OD1-N 3.1Å; N13-S15 VanDerWaalsContact OD1-N 3.08Å; N13-S15 PolarHBondContact OD1-OG 3.06Å; N13-T16 HydrophobicContact CB-CG2 4.02Å; N13-T16 WeakPolarHBondContact O-CB 3.41Å; N13-T16 PolarHBondContact O-N 2.86Å; N13-T16 PolarHBondContact O-OG1 2.9Å
14V91.7Very high87.3Confident40 Ų4060.1 Ų60.124%0.24236%0.356CS..G310 helixtrans-61-20.6-176.6-55.70000114.2F12 T16 G17 E53 F83F12-V14 HydrophobicContact CD1-CG1 4.02Å; F12-V14 HydrophobicContact CE1-CB 4.32Å; F12-V14 HydrophobicContact CE1-CG1 3.96Å; V14-T16 PolarHBondContact O-N 2.79Å; V14-G17 PolarHBondContact O-N 3.05Å; V14-E53 HydrophobicContact CG1-CB 3.69Å; V14-E53 HydrophobicContact CG2-CB 4.36Å; V14-E53 WeakPolarHBondContact CG2-OE2 3.42Å; V14-F83 HydrophobicContact CB-CZ 4.26Å
15S90.4Very high88.8Confident97 Ų9757.7 Ų57.768%0.67833%0.333SS*.G310 helixtrans-69.8-13.4176.4700000113.6N13 G17N13-S15 VanDerWaalsContact CG-OG 3.24Å; N13-S15 PolarHBondContact ND2-OG 3.36Å; N13-S15 PolarHBondContact O-N 2.81Å; N13-S15 WeakPolarHBondContact OD1-CB 3.07Å; N13-S15 PolarHBondContact OD1-N 3.1Å; N13-S15 VanDerWaalsContact OD1-N 3.08Å; N13-S15 PolarHBondContact OD1-OG 3.06Å; S15-G17 VanDerWaalsContact C-N 3.29Å
16T89.2Confident90.1Very high61 Ų6156.6 Ų56.637%0.37433%0.328SS..G310 helixtrans-80.7-8177.862.60000113.6F12 N13 V14 G20F12-T16 WeakPolarHBondContact CE2-OG1 3.38Å; N13-T16 HydrophobicContact CB-CG2 4.02Å; N13-T16 WeakPolarHBondContact O-CB 3.41Å; N13-T16 PolarHBondContact O-N 2.86Å; N13-T16 PolarHBondContact O-OG1 2.9Å; V14-T16 PolarHBondContact O-N 2.79Å; T16-G20 PolarHBondContact O-N 2.87Å; T16-G20 WeakPolarHBondContact OG1-CA 2.94Å
17G88.5Confident91.2Very high22 Ų2255 Ų5523%0.22732%0.316CS..Hα-helixtrans66.8-155.6175.300000113.7V14 S15 D19 W21V14-G17 PolarHBondContact O-N 3.05Å; S15-G17 VanDerWaalsContact C-N 3.29Å; G17-D19 VanDerWaalsContact C-N 3.26Å; G17-D19 PolarHBondContact O-N 2.72Å; G17-W21 WeakPolarHBondContact O-CB 3.38Å; G17-W21 PolarHBondContact O-N 3.3Å; G17-W21 VanDerWaalsContact O-N 3.08Å
18V86.4Confident91.9Very high11 Ų1152 Ų527%0.06729%0.286CS..Hα-helixtrans-63.4-33.4-177.266.90000112.2W21 E22 R80 F83 D84V18-W21 WeakPolarHBondContact O-CB 3.5Å; V18-W21 PolarHBondContact O-N 2.8Å; V18-E22 WeakPolarHBondContact O-CG 3.41Å; V18-E22 PolarHBondContact O-N 3.27Å; V18-R80 HydrophobicContact CG2-CG 4.37Å; V18-F83 HydrophobicContact CB-CB 3.71Å; V18-F83 HydrophobicContact CG2-CB 4.44Å; V18-D84 HydrophobicContact CB-CB 4.48Å; V18-D84 HydrophobicContact CG2-CB 4.25Å
19D82Confident92.2Very high47 Ų4749.8 Ų49.825%0.25127%0.271SS..Hα-helixtrans-69.2-49.4-176.1-49.3-21.6000110.8G17 W21 E22 D23 H116 R120G17-D19 VanDerWaalsContact C-N 3.26Å; G17-D19 PolarHBondContact O-N 2.72Å; D19-W21 PolarHBondContact O-N 3.05Å; D19-E22 PolarHBondContact O-N 3.11Å; D19-D23 PolarHBondContact O-N 3.18Å; D19-H116 IonicContact OD1-CE1 3.12Å; D19-H116 PolarHBondContact OD1-CE1 3.14Å; D19-H116 IonicContact OD1-NE2 3.98Å; D19-H116 PolarHBondContact OD1-NE2 3.24Å; D19-H116 IonicContact OD2-CD2 3.53Å; D19-H116 IonicContact OD2-CE1 3.03Å; D19-H116 IonicContact OD2-NE2 2.85Å; D19-H116 PolarHBondContact OD2-NE2 3.27Å; D19-H116 VanDerWaalsContact OD2-NE2 3.12Å; D19-R120 IonicContact OD1-CZ 3.62Å; D19-R120 IonicContact OD1-NH1 3.85Å; D19-R120 PolarHBondContact OD1-NH1 2.95Å; D19-R120 IonicContact OD2-NH1 2.92Å
20G90.2Very high92.3Very high15 Ų1555.3 Ų55.316%0.15530%0.295CS..Hα-helixtrans-69.1-23.7175.300000112.6F12 T16 W24F12-G20 VanDerWaalsContact CE2-C 3.44Å; F12-G20 WeakPolarHBondContact CE2-O 3.3Å; T16-G20 PolarHBondContact O-N 2.87Å; T16-G20 WeakPolarHBondContact OG1-CA 2.94Å; G20-W24 WeakPolarHBondContact O-CB 3.15Å; G20-W24 PolarHBondContact O-N 2.96Å
21W93.6Very high92.3Very high2 Ų252 Ų521%0.00828%0.279CS..Hα-helixtrans-66.2-45.9171.7171-118.9000111.4F12 G17 V18 D19 W24 L25 L46 L54 T76 V79 F83F12-W21 HydrophobicContact CD1-CE3 4.19Å; F12-W21 HydrophobicContact CD2-CE3 4.4Å; F12-W21 HydrophobicContact CE1-CB 4.48Å; F12-W21 HydrophobicContact CE1-CE3 4.18Å; F12-W21 HydrophobicContact CE2-CB 4.06Å; F12-W21 HydrophobicContact CE2-CE3 4.46Å; F12-W21 HydrophobicContact CG-CE3 4.29Å; F12-W21 HydrophobicContact CZ-CB 3.75Å; F12-W21 HydrophobicContact CZ-CE3 4.34Å; G17-W21 WeakPolarHBondContact O-CB 3.38Å; G17-W21 PolarHBondContact O-N 3.3Å; G17-W21 VanDerWaalsContact O-N 3.08Å; V18-W21 WeakPolarHBondContact O-CB 3.5Å; V18-W21 PolarHBondContact O-N 2.8Å; D19-W21 PolarHBondContact O-N 3.05Å; W21-W24 HydrophobicContact CE3-CE3 4.21Å; W21-W24 HydrophobicContact CH2-CE3 4.49Å; W21-W24 HydrophobicContact CH2-CZ3 4.42Å; W21-W24 AromaticContact CZ3-CE3 3.65Å; W21-W24 HydrophobicContact CZ3-CE3 3.65Å; W21-W24 AromaticContact CZ3-CZ3 3.86Å; W21-W24 HydrophobicContact CZ3-CZ3 3.86Å; W21-W24 PolarHBondContact O-N 3.29Å; W21-L25 HydrophobicContact CH2-CD1 4.07Å; W21-L25 HydrophobicContact CZ2-CD1 4.13Å; W21-L25 HydrophobicContact CZ2-CD2 4.11Å; W21-L25 HydrophobicContact CZ2-CG 4.49Å; W21-L25 WeakPolarHBondContact O-CB 3.43Å; W21-L25 PolarHBondContact O-N 3.02Å; W21-L46 HydrophobicContact CH2-CD1 4.1Å; W21-L46 HydrophobicContact CZ3-CD1 4.47Å; W21-L54 HydrophobicContact CE3-CD1 4.48Å; W21-L54 HydrophobicContact CE3-CD2 4.35Å; W21-L54 HydrophobicContact CH2-CD2 4.21Å; W21-L54 HydrophobicContact CZ3-CD1 4.14Å; W21-L54 HydrophobicContact CZ3-CD2 3.53Å; W21-T76 HydrophobicContact CH2-CG2 4.46Å; W21-T76 HydrophobicContact CZ2-CG2 3.94Å; W21-V79 HydrophobicContact CD2-CB 4.49Å; W21-V79 HydrophobicContact CD2-CG1 3.59Å; W21-V79 HydrophobicContact CE3-CG1 3.98Å; W21-V79 HydrophobicContact CG-CG1 4.04Å; W21-V79 HydrophobicContact CH2-CG1 4.25Å; W21-V79 HydrophobicContact CZ2-CB 3.95Å; W21-V79 HydrophobicContact CZ2-CG1 3.88Å; W21-V79 HydrophobicContact CZ2-CG2 4.44Å; W21-V79 HydrophobicContact CZ3-CG1 4.3Å; W21-F83 HydrophobicContact CB-CD2 4.16Å; W21-F83 HydrophobicContact CB-CE2 4.28Å; W21-F83 HydrophobicContact CG-CD2 4.37Å
22E90.3Very high92.2Very high69 Ų6948.2 Ų48.232%0.32226%0.255SS..Hα-helixtrans-62.8-48.1176.9-70.4-175.8162.800111.7V18 D19 W24 L25 E26 R80V18-E22 WeakPolarHBondContact O-CG 3.41Å; V18-E22 PolarHBondContact O-N 3.27Å; D19-E22 PolarHBondContact O-N 3.11Å; E22-W24 VanDerWaalsContact C-N 3.35Å; E22-W24 PolarHBondContact O-N 2.94Å; E22-L25 PolarHBondContact O-N 3.15Å; E22-E26 PolarHBondContact O-N 3.35Å; E22-R80 IonicContact OE1-CZ 3.6Å; E22-R80 IonicContact OE1-NE 3.79Å; E22-R80 IonicContact OE1-NH2 3.54Å; E22-R80 PolarHBondContact OE1-NH2 3.29Å
23D91.8Very high92Very high87 Ų8752 Ų5247%0.46528%0.275SS..Hα-helixtrans-62.6-41.3178.1-71.1-12.1000111.6D19 R27D19-D23 PolarHBondContact O-N 3.18Å; D23-R27 WeakPolarHBondContact O-CG 3.3Å; D23-R27 PolarHBondContact O-N 2.89Å
24W96.3Very high91.8Very high11 Ų1151.1 Ų51.14%0.04228%0.279CS..Hα-helixtrans-69.3-39.3178.2-173.494.8000111.6L9 E10 F12 G20 W21 E22 R27 F28 L46 L54L9-W24 HydrophobicContact CD2-CH2 4.3Å; L9-W24 HydrophobicContact CD2-CZ2 3.72Å; L9-W24 HydrophobicContact CG-CZ2 4.36Å; E10-W24 PolarHBondContact O-NE1 3.28Å; F12-W24 HydrophobicContact CB-CD2 3.81Å; F12-W24 HydrophobicContact CB-CE3 4.33Å; F12-W24 HydrophobicContact CB-CG 3.97Å; F12-W24 HydrophobicContact CB-CZ2 4.38Å; F12-W24 HydrophobicContact CD2-CB 3.75Å; F12-W24 HydrophobicContact CD2-CD2 4.39Å; F12-W24 AromaticContact CD2-CG 3.85Å; F12-W24 HydrophobicContact CD2-CG 3.85Å; F12-W24 HydrophobicContact CE2-CB 4.43Å; F12-W24 HydrophobicContact CG-CD2 4.42Å; F12-W24 HydrophobicContact CG-CG 4.31Å; G20-W24 WeakPolarHBondContact O-CB 3.15Å; G20-W24 PolarHBondContact O-N 2.96Å; W21-W24 HydrophobicContact CE3-CE3 4.21Å; W21-W24 HydrophobicContact CH2-CE3 4.49Å; W21-W24 HydrophobicContact CH2-CZ3 4.42Å; W21-W24 AromaticContact CZ3-CE3 3.65Å; W21-W24 HydrophobicContact CZ3-CE3 3.65Å; W21-W24 AromaticContact CZ3-CZ3 3.86Å; W21-W24 HydrophobicContact CZ3-CZ3 3.86Å; W21-W24 PolarHBondContact O-N 3.29Å; E22-W24 VanDerWaalsContact C-N 3.35Å; E22-W24 PolarHBondContact O-N 2.94Å; W24-R27 PolarHBondContact O-N 2.85Å; W24-F28 HydrophobicContact CE3-CB 4.03Å; W24-F28 HydrophobicContact CH2-CB 4.09Å; W24-F28 AromaticContact CH2-CD2 3.61Å; W24-F28 HydrophobicContact CH2-CD2 3.61Å; W24-F28 HydrophobicContact CH2-CE2 4.37Å; W24-F28 HydrophobicContact CH2-CG 4.05Å; W24-F28 HydrophobicContact CZ2-CD2 4.36Å; W24-F28 HydrophobicContact CZ3-CB 3.76Å; W24-F28 AromaticContact CZ3-CD2 3.96Å; W24-F28 HydrophobicContact CZ3-CD2 3.96Å; W24-F28 AromaticContact CZ3-CG 3.91Å; W24-F28 HydrophobicContact CZ3-CG 3.91Å; W24-F28 VanDerWaalsContact O-CB 3.31Å; W24-F28 WeakPolarHBondContact O-CB 3.49Å; W24-F28 PolarHBondContact O-N 3.24Å; W24-L46 HydrophobicContact CH2-CD1 3.82Å; W24-L46 HydrophobicContact CZ3-CD1 3.54Å; W24-L54 HydrophobicContact CH2-CD2 4.45Å; W24-L54 HydrophobicContact CZ3-CD2 4.24Å
25L95.4Very high91.8Very high26 Ų2650.1 Ų50.114%0.13627%0.272CS..Hα-helixtrans-64.6-41.3178.1-176.662.8000111.7W21 E22 F28 Q29 M72 T76W21-L25 HydrophobicContact CH2-CD1 4.07Å; W21-L25 HydrophobicContact CZ2-CD1 4.13Å; W21-L25 HydrophobicContact CZ2-CD2 4.11Å; W21-L25 HydrophobicContact CZ2-CG 4.49Å; W21-L25 WeakPolarHBondContact O-CB 3.43Å; W21-L25 PolarHBondContact O-N 3.02Å; E22-L25 PolarHBondContact O-N 3.15Å; L25-F28 HydrophobicContact CD1-CD1 4.35Å; L25-F28 WeakPolarHBondContact O-CB 3.49Å; L25-F28 PolarHBondContact O-N 2.66Å; L25-Q29 WeakPolarHBondContact O-CG 3.44Å; L25-Q29 PolarHBondContact O-N 2.88Å; L25-M72 HydrophobicContact CD1-CE 3.97Å; L25-T76 HydrophobicContact CD1-CG2 3.74Å; L25-T76 HydrophobicContact CD2-CG2 3.93Å
26E94.7Very high91.9Very high102 Ų10250.8 Ų50.848%0.47728%0.277SS..Hα-helixtrans-61.1-47.8174.5-173.3-177.4-165.200111.1E22 F28 Q29 F30E22-E26 PolarHBondContact O-N 3.35Å; E26-F28 VanDerWaalsContact C-N 3.31Å; E26-F28 PolarHBondContact O-N 3.1Å; E26-Q29 WeakPolarHBondContact O-CB 3.44Å; E26-Q29 PolarHBondContact O-N 3.04Å; E26-Q29 VanDerWaalsContact O-N 3.14Å; E26-F30 HydrophobicContact CG-CD2 4.22Å; E26-F30 HydrophobicContact CG-CE2 3.55Å; E26-F30 HydrophobicContact CG-CZ 3.93Å; E26-F30 WeakPolarHBondContact O-CD2 3.48Å; E26-F30 PolarHBondContact O-N 2.93Å
27R95.1Very high91.8Very high92 Ų9249.4 Ų49.435%0.34727%0.267SS..Hα-helixtrans-63-36.5175.2-72.2169.110.1128.220.2112.9L9 E10 D23 W24 Q29 F30 F31L9-R27 HydrophobicContact CD1-CB 4.26Å; E10-R27 IonicContact OE1-CZ 2.65Å; E10-R27 IonicContact OE1-NH1 3.88Å; E10-R27 PolarHBondContact OE1-NH1 3.42Å; E10-R27 IonicContact OE1-NH2 3.07Å; E10-R27 PolarHBondContact OE1-NH2 3.07Å; E10-R27 IonicContact OE2-CZ 2.73Å; E10-R27 IonicContact OE2-NH1 3.27Å; E10-R27 PolarHBondContact OE2-NH1 3.41Å; E10-R27 IonicContact OE2-NH2 3.52Å; E10-R27 PolarHBondContact OE2-NH2 3.28Å; D23-R27 WeakPolarHBondContact O-CG 3.3Å; D23-R27 PolarHBondContact O-N 2.89Å; W24-R27 PolarHBondContact O-N 2.85Å; R27-Q29 VanDerWaalsContact C-N 3.32Å; R27-F30 PolarHBondContact O-N 3.11Å; R27-F31 VanDerWaalsContact O-CB 3.31Å; R27-F31 WeakPolarHBondContact O-CB 3Å; R27-F31 PolarHBondContact O-N 3.19Å
28F95.4Very high92Very high1 Ų150.1 Ų50.10%0.00427%0.269CS..Hα-helixtrans-62.2-40.7173.8171.1-90.8000111.2L9 W24 L25 E26 F31 A32 R42 L45 L46 M72L9-F28 HydrophobicContact CD2-CB 3.98Å; L9-F28 HydrophobicContact CD2-CD2 3.79Å; L9-F28 HydrophobicContact CD2-CG 4.38Å; W24-F28 HydrophobicContact CE3-CB 4.03Å; W24-F28 HydrophobicContact CH2-CB 4.09Å; W24-F28 AromaticContact CH2-CD2 3.61Å; W24-F28 HydrophobicContact CH2-CD2 3.61Å; W24-F28 HydrophobicContact CH2-CE2 4.37Å; W24-F28 HydrophobicContact CH2-CG 4.05Å; W24-F28 HydrophobicContact CZ2-CD2 4.36Å; W24-F28 HydrophobicContact CZ3-CB 3.76Å; W24-F28 AromaticContact CZ3-CD2 3.96Å; W24-F28 HydrophobicContact CZ3-CD2 3.96Å; W24-F28 AromaticContact CZ3-CG 3.91Å; W24-F28 HydrophobicContact CZ3-CG 3.91Å; W24-F28 VanDerWaalsContact O-CB 3.31Å; W24-F28 WeakPolarHBondContact O-CB 3.49Å; W24-F28 PolarHBondContact O-N 3.24Å; L25-F28 HydrophobicContact CD1-CD1 4.35Å; L25-F28 WeakPolarHBondContact O-CB 3.49Å; L25-F28 PolarHBondContact O-N 2.66Å; E26-F28 VanDerWaalsContact C-N 3.31Å; E26-F28 PolarHBondContact O-N 3.1Å; F28-F31 PolarHBondContact O-N 3.31Å; F28-A32 WeakPolarHBondContact O-CB 3.31Å; F28-A32 PolarHBondContact O-N 2.87Å; F28-R42 WeakPolarHBondContact CZ-O 3.46Å; F28-L45 HydrophobicContact CE2-CB 4Å; F28-L45 HydrophobicContact CE2-CD2 3.77Å; F28-L45 HydrophobicContact CE2-CG 3.81Å; F28-L45 HydrophobicContact CZ-CB 3.99Å; F28-L45 HydrophobicContact CZ-CD2 3.98Å; F28-L45 HydrophobicContact CZ-CG 4.2Å; F28-L46 HydrophobicContact CE2-CB 4.27Å; F28-L46 HydrophobicContact CZ-CB 3.98Å; F28-M72 HydrophobicContact CD1-CE 3.92Å; F28-M72 HydrophobicContact CE1-CE 3.39Å; F28-M72 HydrophobicContact CE1-SD 4.49Å; F28-M72 HydrophobicContact CZ-CE 4.19Å
29Q93.9Very high92Very high92 Ų9255.7 Ų55.743%0.4329%0.294SS..Hα-helixtrans-62.8-49.3174.2-70.4171.8-0.500111.1L25 E26 R27 F31 A32 D33L25-Q29 WeakPolarHBondContact O-CG 3.44Å; L25-Q29 PolarHBondContact O-N 2.88Å; E26-Q29 WeakPolarHBondContact O-CB 3.44Å; E26-Q29 PolarHBondContact O-N 3.04Å; E26-Q29 VanDerWaalsContact O-N 3.14Å; R27-Q29 VanDerWaalsContact C-N 3.32Å; Q29-F31 VanDerWaalsContact C-N 3.27Å; Q29-F31 PolarHBondContact O-N 3.2Å; Q29-A32 PolarHBondContact O-N 2.93Å; Q29-A32 VanDerWaalsContact O-N 3.16Å; Q29-D33 VanDerWaalsContact O-CG 3.26Å; Q29-D33 PolarHBondContact O-N 3.33Å
30F93.3Very high92.3Very high127 Ų12761 Ų6156%0.55732%0.317SS*.Hα-helixtrans-58.1-39.6174.8-65.5-42.3000112.7E26 R27 D33 A34E26-F30 HydrophobicContact CG-CD2 4.22Å; E26-F30 HydrophobicContact CG-CE2 3.55Å; E26-F30 HydrophobicContact CG-CZ 3.93Å; E26-F30 WeakPolarHBondContact O-CD2 3.48Å; E26-F30 PolarHBondContact O-N 2.93Å; R27-F30 PolarHBondContact O-N 3.11Å; F30-D33 PolarHBondContact O-N 2.86Å; F30-A34 VanDerWaalsContact O-CB 3.24Å; F30-A34 WeakPolarHBondContact O-CB 3.29Å; F30-A34 PolarHBondContact O-N 3.25Å
31F93.7Very high92.3Very high23 Ų2368.5 Ų68.510%0.10134%0.341CS..Hα-helixtrans-65.1-44.1176.6178-97.1000112H6 L9 R27 F28 Q29 N35 L45 Y49H6-F31 WeakPolarHBondContact O-CE2 3.22Å; L9-F31 HydrophobicContact CB-CD1 4.39Å; L9-F31 HydrophobicContact CB-CD2 4.14Å; L9-F31 HydrophobicContact CB-CE2 4.35Å; L9-F31 HydrophobicContact CB-CG 4.16Å; L9-F31 HydrophobicContact CD2-CB 4.37Å; L9-F31 HydrophobicContact CD2-CD1 4.34Å; L9-F31 HydrophobicContact CD2-CG 4.38Å; R27-F31 VanDerWaalsContact O-CB 3.31Å; R27-F31 WeakPolarHBondContact O-CB 3Å; R27-F31 PolarHBondContact O-N 3.19Å; F28-F31 PolarHBondContact O-N 3.31Å; Q29-F31 VanDerWaalsContact C-N 3.27Å; Q29-F31 PolarHBondContact O-N 3.2Å; F31-N35 WeakPolarHBondContact O-CB 2.92Å; F31-N35 PolarHBondContact O-N 3.46Å; F31-N35 PolarHBondContact O-ND2 3.45Å; F31-L45 HydrophobicContact CD1-CD2 4.04Å; F31-L45 HydrophobicContact CE1-CD1 4.41Å; F31-L45 HydrophobicContact CE1-CD2 4.09Å; F31-Y49 HydrophobicContact CE1-CD1 4.46Å; F31-Y49 HydrophobicContact CE1-CD2 4.49Å; F31-Y49 HydrophobicContact CE1-CE1 4.11Å; F31-Y49 HydrophobicContact CE1-CE2 4.17Å; F31-Y49 AromaticContact CE1-CZ 3.94Å; F31-Y49 AromaticContact CZ-CE1 3.9Å; F31-Y49 HydrophobicContact CZ-CE1 3.9Å; F31-Y49 HydrophobicContact CZ-CE2 4.49Å; F31-Y49 AromaticContact CZ-CZ 3.83Å
32A92.8Very high92.2Very high0 Ų070.9 Ų70.90%035%0.35CS..Hα-helixtrans-62.5-43.3176.800000111.4F28 Q29 N35 S36 I37 R42 L45F28-A32 WeakPolarHBondContact O-CB 3.31Å; F28-A32 PolarHBondContact O-N 2.87Å; Q29-A32 PolarHBondContact O-N 2.93Å; Q29-A32 VanDerWaalsContact O-N 3.16Å; A32-N35 CarbonylContact O-C 3.48Å; A32-N35 PolarHBondContact O-N 2.78Å; A32-S36 PolarHBondContact O-N 3.31Å; A32-S36 VanDerWaalsContact O-N 3.12Å; A32-I37 HydrophobicContact CB-CB 4.2Å; A32-I37 WeakPolarHBondContact O-CB 3.33Å; A32-I37 WeakPolarHBondContact O-CG1 3.37Å; A32-I37 PolarHBondContact O-N 3.24Å; A32-R42 HydrophobicContact CB-CG 4.46Å; A32-L45 HydrophobicContact CB-CD2 4.24Å
33D91.9Very high92.4Very high87 Ų8768.8 Ų68.847%0.46534%0.342SS..Hα-helixtrans-69.1-44.7-179-66.9-12.7000111.8Q29 F30 N35 S36 R42Q29-D33 VanDerWaalsContact O-CG 3.26Å; Q29-D33 PolarHBondContact O-N 3.33Å; F30-D33 PolarHBondContact O-N 2.86Å; D33-N35 PolarHBondContact O-N 2.89Å; D33-S36 PolarHBondContact O-N 2.83Å; D33-R42 IonicContact OD1-CZ 2.71Å; D33-R42 IonicContact OD1-NH2 2.82Å; D33-R42 PolarHBondContact OD1-NH2 3.49Å
34A91.6Very high92.4Very high61 Ų6166.4 Ų66.450%0.50434%0.338SS..Hα-helixtrans-60.2-28175.600000112.7F30F30-A34 VanDerWaalsContact O-CB 3.24Å; F30-A34 WeakPolarHBondContact O-CB 3.29Å; F30-A34 PolarHBondContact O-N 3.25Å
35N91.4Very high92.2Very high19 Ų1967 Ų6710%0.10234%0.342CS..THydrogen-bonded Turntrans-95.97.8175.9-73.8-84.2000113.4H5 H6 F31 A32 D33 I37H5-N35 VanDerWaalsContact CA-OD1 3.24Å; H5-N35 WeakPolarHBondContact CA-OD1 3.42Å; H5-N35 PolarHBondContact ND1-OD1 3.17Å; H6-N35 PolarHBondContact N-OD1 3.49Å; H6-N35 PolarHBondContact O-ND2 3.36Å; F31-N35 WeakPolarHBondContact O-CB 2.92Å; F31-N35 PolarHBondContact O-N 3.46Å; F31-N35 PolarHBondContact O-ND2 3.45Å; A32-N35 CarbonylContact O-C 3.48Å; A32-N35 PolarHBondContact O-N 2.78Å; D33-N35 PolarHBondContact O-N 2.89Å; N35-I37 HydrophobicContact CB-CD1 4.01Å; N35-I37 HydrophobicContact CB-CG1 3.79Å; N35-I37 PolarHBondContact O-N 3.23Å
36S91.7Very high92.2Very high111 Ų11165.8 Ų65.878%0.77634%0.336SS*.THydrogen-bonded Turntrans51.439.1-179.6-57.90000113.2A32 D33 S38A32-S36 PolarHBondContact O-N 3.31Å; A32-S36 VanDerWaalsContact O-N 3.12Å; D33-S36 PolarHBondContact O-N 2.83Å; S36-S38 PolarHBondContact O-N 2.95Å
37I88.9Confident92.2Very high32 Ų3263 Ų6316%0.16432%0.322CS..  trans-76.8122.2-179.6-55.8-60.9000109.1A32 N35 R41 R42 L45A32-I37 HydrophobicContact CB-CB 4.2Å; A32-I37 WeakPolarHBondContact O-CB 3.33Å; A32-I37 WeakPolarHBondContact O-CG1 3.37Å; A32-I37 PolarHBondContact O-N 3.24Å; N35-I37 HydrophobicContact CB-CD1 4.01Å; N35-I37 HydrophobicContact CB-CG1 3.79Å; N35-I37 PolarHBondContact O-N 3.23Å; I37-R41 HydrophobicContact CG2-CB 3.69Å; I37-R42 HydrophobicContact CG2-CG 4.29Å; I37-L45 HydrophobicContact CG1-CD2 4.23Å; I37-L45 HydrophobicContact CG2-CD2 4.41Å
38S91.3Very high92Very high38 Ų3863.6 Ų63.627%0.26634%0.337SS..  trans-66.5153.417673.10000111.8S36 E40 R41 R42S36-S38 PolarHBondContact O-N 2.95Å; S38-E40 WeakPolarHBondContact CB-OE2 3.3Å; S38-E40 PolarHBondContact O-N 3.09Å; S38-E40 PolarHBondContact OG-OE2 3.43Å; S38-R41 PolarHBondContact O-N 3.42Å; S38-R42 PolarHBondContact O-N 3.47Å
39E86.8Confident91.9Very high128 Ų12866.7 Ų66.760%0.59835%0.348SS*.Hα-helixtrans-58-35.5-174.5-65.3-159.314000112.9R41 R42E39-R41 PolarHBondContact O-N 3.25Å; E39-R42 WeakPolarHBondContact O-CB 3.41Å; E39-R42 PolarHBondContact O-N 3.21Å; E39-R42 VanDerWaalsContact O-N 3.09Å; E39-R42 IonicContact OE1-NH1 2.73Å; E39-R42 PolarHBondContact OE1-NH1 3.33Å
40E87.5Confident91.9Very high158 Ų15862.3 Ų62.374%0.73833%0.328SS*.Hα-helixtrans-66-21.8-179.7-45.976.5-163.300112.4S38S38-E40 WeakPolarHBondContact CB-OE2 3.3Å; S38-E40 PolarHBondContact O-N 3.09Å; S38-E40 PolarHBondContact OG-OE2 3.43Å
41R90.9Very high91.9Very high173 Ų17356.7 Ų56.765%0.65331%0.306SS*.Hα-helixtrans-93.2-12.2178.3-68.1-174175.5116.5-4.6113.2I37 S38 E39 C43 G44 L45I37-R41 HydrophobicContact CG2-CB 3.69Å; S38-R41 PolarHBondContact O-N 3.42Å; E39-R41 PolarHBondContact O-N 3.25Å; R41-C43 PolarHBondContact O-N 2.79Å; R41-G44 PolarHBondContact O-N 3.02Å; R41-L45 PolarHBondContact O-N 3.07Å
42R92Very high92Very high51 Ų5160.3 Ų60.319%0.19233%0.332CS..Hα-helixtrans-64.6-37.7-175.3-71.1-178.6175168-7.5112.7F28 A32 D33 I37 S38 E39 G44 L45 L46 M72F28-R42 WeakPolarHBondContact CZ-O 3.46Å; A32-R42 HydrophobicContact CB-CG 4.46Å; D33-R42 IonicContact OD1-CZ 2.71Å; D33-R42 IonicContact OD1-NH2 2.82Å; D33-R42 PolarHBondContact OD1-NH2 3.49Å; I37-R42 HydrophobicContact CG2-CG 4.29Å; S38-R42 PolarHBondContact O-N 3.47Å; E39-R42 WeakPolarHBondContact O-CB 3.41Å; E39-R42 PolarHBondContact O-N 3.21Å; E39-R42 VanDerWaalsContact O-N 3.09Å; E39-R42 IonicContact OE1-NH1 2.73Å; E39-R42 PolarHBondContact OE1-NH1 3.33Å; R42-G44 PolarHBondContact O-N 3.28Å; R42-L45 WeakPolarHBondContact O-CB 3.32Å; R42-L45 PolarHBondContact O-N 3.27Å; R42-L46 WeakPolarHBondContact O-CB 3.48Å; R42-L46 PolarHBondContact O-N 2.74Å; R42-M72 HydrophobicContact CB-SD 4.33Å
43C93.5Very high92.2Very high25 Ų2564.9 Ų64.917%0.16935%0.353CS..Hα-helixtrans-61-45.8175-66.90000112.1R41 L45 L46 F47 M72 L75R41-C43 PolarHBondContact O-N 2.79Å; C43-L45 VanDerWaalsContact C-N 3.28Å; C43-L45 PolarHBondContact O-N 3.14Å; C43-L46 WeakPolarHBondContact O-CB 3.46Å; C43-L46 PolarHBondContact O-N 2.85Å; C43-F47 HydrophobicContact CB-CE2 4.16Å; C43-F47 HydrophobicContact CB-CZ 4.24Å; C43-F47 WeakPolarHBondContact O-CD2 3.43Å; C43-F47 WeakPolarHBondContact O-CG 3.41Å; C43-F47 PolarHBondContact O-N 2.81Å; C43-M72 PolarHBondContact SG-N 2.73Å; C43-M72 VanDerWaalsContact SG-N 3.43Å; C43-L75 HydrophobicContact CB-CD1 4.33Å
44G92.4Very high92.3Very high37 Ų3760.7 Ų60.738%0.38133%0.331SS..Hα-helixtrans-61.5-38.4176.400000112.4R41 R42 F47 T48R41-G44 PolarHBondContact O-N 3.02Å; R42-G44 PolarHBondContact O-N 3.28Å; G44-F47 PolarHBondContact O-N 3.12Å; G44-T48 PolarHBondContact O-N 3.49Å; G44-T48 PolarHBondContact O-OG1 2.93Å
45L92.5Very high92.5Very high25 Ų2562.3 Ų62.313%0.13133%0.325CS..Hα-helixtrans-66-42.1174.9-162.173.6000111.6F28 F31 A32 I37 R41 R42 C43 F47 T48 Y49F28-L45 HydrophobicContact CE2-CB 4Å; F28-L45 HydrophobicContact CE2-CD2 3.77Å; F28-L45 HydrophobicContact CE2-CG 3.81Å; F28-L45 HydrophobicContact CZ-CB 3.99Å; F28-L45 HydrophobicContact CZ-CD2 3.98Å; F28-L45 HydrophobicContact CZ-CG 4.2Å; F31-L45 HydrophobicContact CD1-CD2 4.04Å; F31-L45 HydrophobicContact CE1-CD1 4.41Å; F31-L45 HydrophobicContact CE1-CD2 4.09Å; A32-L45 HydrophobicContact CB-CD2 4.24Å; I37-L45 HydrophobicContact CG1-CD2 4.23Å; I37-L45 HydrophobicContact CG2-CD2 4.41Å; R41-L45 PolarHBondContact O-N 3.07Å; R42-L45 WeakPolarHBondContact O-CB 3.32Å; R42-L45 PolarHBondContact O-N 3.27Å; C43-L45 VanDerWaalsContact C-N 3.28Å; C43-L45 PolarHBondContact O-N 3.14Å; L45-F47 PolarHBondContact O-N 3.48Å; L45-T48 PolarHBondContact O-N 2.67Å; L45-Y49 HydrophobicContact CD1-CD2 3.4Å; L45-Y49 HydrophobicContact CD1-CE2 3.33Å; L45-Y49 HydrophobicContact CG-CD2 3.75Å; L45-Y49 HydrophobicContact CG-CE2 4.18Å; L45-Y49 WeakPolarHBondContact O-CB 3.33Å; L45-Y49 PolarHBondContact O-N 2.84Å
46L94.5Very high92.7Very high0 Ų068.4 Ų68.40%035%0.346CS..Hα-helixtrans-60.4-43.9176.217964.4000111.5W21 W24 F28 R42 C43 T48 G50 L54 M58 M72 L75W21-L46 HydrophobicContact CH2-CD1 4.1Å; W21-L46 HydrophobicContact CZ3-CD1 4.47Å; W24-L46 HydrophobicContact CH2-CD1 3.82Å; W24-L46 HydrophobicContact CZ3-CD1 3.54Å; F28-L46 HydrophobicContact CE2-CB 4.27Å; F28-L46 HydrophobicContact CZ-CB 3.98Å; R42-L46 WeakPolarHBondContact O-CB 3.48Å; R42-L46 PolarHBondContact O-N 2.74Å; C43-L46 WeakPolarHBondContact O-CB 3.46Å; C43-L46 PolarHBondContact O-N 2.85Å; L46-T48 VanDerWaalsContact C-N 3.26Å; L46-T48 PolarHBondContact O-N 3.04Å; L46-G50 VanDerWaalsContact O-CA 3.27Å; L46-G50 WeakPolarHBondContact O-CA 3.41Å; L46-G50 PolarHBondContact O-N 2.74Å; L46-L54 HydrophobicContact CD1-CD2 4.05Å; L46-M58 HydrophobicContact CD2-SD 3.73Å; L46-M58 HydrophobicContact CG-CE 4.24Å; L46-M58 HydrophobicContact CG-SD 4.11Å; L46-M72 HydrophobicContact CB-CE 4.37Å; L46-M72 HydrophobicContact CB-SD 4.29Å; L46-M72 HydrophobicContact CD1-CE 4.41Å; L46-M72 HydrophobicContact CD2-CE 3.87Å; L46-M72 HydrophobicContact CD2-SD 3.78Å; L46-M72 HydrophobicContact CG-CE 4.44Å; L46-L75 HydrophobicContact CD2-CB 4.22Å; L46-L75 HydrophobicContact CD2-CD1 4.36Å
47F94.7Very high92.8Very high42 Ų4264.1 Ų64.118%0.18431%0.314CS..Hα-helixtrans-63.8-32.1176.8-57.3-32.8000113.1C43 G44 L45 Y55 M58 P67 L75C43-F47 HydrophobicContact CB-CE2 4.16Å; C43-F47 HydrophobicContact CB-CZ 4.24Å; C43-F47 WeakPolarHBondContact O-CD2 3.43Å; C43-F47 WeakPolarHBondContact O-CG 3.41Å; C43-F47 PolarHBondContact O-N 2.81Å; G44-F47 PolarHBondContact O-N 3.12Å; L45-F47 PolarHBondContact O-N 3.48Å; F47-Y55 HydrophobicContact CB-CD2 3.9Å; F47-Y55 HydrophobicContact CB-CE2 4.07Å; F47-Y55 AromaticContact CD1-CD2 3.77Å; F47-Y55 HydrophobicContact CD1-CD2 3.77Å; F47-Y55 AromaticContact CD1-CE2 3.87Å; F47-Y55 HydrophobicContact CD1-CE2 3.87Å; F47-Y55 HydrophobicContact CE1-CE2 4.48Å; F47-Y55 HydrophobicContact CG-CD2 4.02Å; F47-Y55 AromaticContact CG-CE2 3.91Å; F47-Y55 HydrophobicContact CG-CE2 3.91Å; F47-M58 HydrophobicContact CD1-CE 3.59Å; F47-M58 HydrophobicContact CD1-SD 4.19Å; F47-M58 HydrophobicContact CE1-CE 4.02Å; F47-M58 HydrophobicContact CE1-SD 4.03Å; F47-P67 HydrophobicContact CE1-CB 3.75Å; F47-P67 HydrophobicContact CZ-CB 3.76Å; F47-P67 WeakPolarHBondContact CZ-O 3.31Å; F47-L75 HydrophobicContact CE1-CD1 3.6Å; F47-L75 HydrophobicContact CE1-CD2 4.17Å; F47-L75 HydrophobicContact CZ-CD1 3.6Å
48T91.6Very high93.1Very high106 Ų10662.7 Ų62.765%0.6531%0.307SS*.Hα-helixtrans-85-52.2-176.1-520000111.6G44 L45 L46G44-T48 PolarHBondContact O-N 3.49Å; G44-T48 PolarHBondContact O-OG1 2.93Å; L45-T48 PolarHBondContact O-N 2.67Å; L46-T48 VanDerWaalsContact C-N 3.26Å; L46-T48 PolarHBondContact O-N 3.04Å
49Y92.6Very high93.4Very high65 Ų6567 Ų6726%0.25532%0.321SS..Hα-helixtrans-84.7-22.3-176.1-78.6-91.9000113.4L9 P11 F31 L45 G51L9-Y49 HydrophobicContact CB-CD1 3.82Å; L9-Y49 HydrophobicContact CB-CE1 4.34Å; L9-Y49 WeakPolarHBondContact O-CD1 3.41Å; P11-Y49 WeakPolarHBondContact CA-O 3.37Å; F31-Y49 HydrophobicContact CE1-CD1 4.46Å; F31-Y49 HydrophobicContact CE1-CD2 4.49Å; F31-Y49 HydrophobicContact CE1-CE1 4.11Å; F31-Y49 HydrophobicContact CE1-CE2 4.17Å; F31-Y49 AromaticContact CE1-CZ 3.94Å; F31-Y49 AromaticContact CZ-CE1 3.9Å; F31-Y49 HydrophobicContact CZ-CE1 3.9Å; F31-Y49 HydrophobicContact CZ-CE2 4.49Å; F31-Y49 AromaticContact CZ-CZ 3.83Å; L45-Y49 HydrophobicContact CD1-CD2 3.4Å; L45-Y49 HydrophobicContact CD1-CE2 3.33Å; L45-Y49 HydrophobicContact CG-CD2 3.75Å; L45-Y49 HydrophobicContact CG-CE2 4.18Å; L45-Y49 WeakPolarHBondContact O-CB 3.33Å; L45-Y49 PolarHBondContact O-N 2.84Å; Y49-G51 PolarHBondContact O-N 3.17Å
50G93.6Very high93.7Very high0 Ų066.4 Ų66.40%032%0.318CS..SBendtrans-60.9-24.4174.600000113.7F12 L46 L54F12-G50 PolarHBondContact N-O 3Å; F12-G50 VanDerWaalsContact N-O 3.16Å; L46-G50 VanDerWaalsContact O-CA 3.27Å; L46-G50 WeakPolarHBondContact O-CA 3.41Å; L46-G50 PolarHBondContact O-N 2.74Å; G50-L54 WeakPolarHBondContact O-CB 3.43Å
51G95.1Very high94Very high9 Ų960.9 Ų60.99%0.09330%0.299CS..Hα-helixtrans82.3172.7-178.200000114Y49 E53 L54 Y55Y49-G51 PolarHBondContact O-N 3.17Å; G51-E53 VanDerWaalsContact C-N 3.34Å; G51-E53 PolarHBondContact O-N 3.42Å; G51-L54 PolarHBondContact O-N 3.45Å; G51-Y55 PolarHBondContact O-N 3.01Å
52P95.8Very high94.1Very high99 Ų9953.1 Ų53.164%0.64327%0.272SS*.Hα-helixtrans-66.2-33.1-170.324.8-34000113.6R56P52-R56 WeakPolarHBondContact O-CB 3.36Å; P52-R56 PolarHBondContact O-N 3.36Å
53E95.5Very high94.2Very high96 Ų9653.9 Ų53.945%0.44929%0.288SS..Hα-helixtrans-73.1-43.4-179.1-63.8-174.8166.300111.9V14 G51 R56 L57V14-E53 HydrophobicContact CG1-CB 3.69Å; V14-E53 HydrophobicContact CG2-CB 4.36Å; V14-E53 WeakPolarHBondContact CG2-OE2 3.42Å; G51-E53 VanDerWaalsContact C-N 3.34Å; G51-E53 PolarHBondContact O-N 3.42Å; E53-R56 PolarHBondContact O-N 3.06Å; E53-L57 WeakPolarHBondContact O-CB 3.41Å; E53-L57 PolarHBondContact O-N 2.94Å
54L95.4Very high94.3Very high0 Ų058.8 Ų58.80%032%0.32CS..Hα-helixtrans-65.3-42174.9-176.554.7000111.1F12 W21 W24 L46 G50 G51 R56 L57 M58 V79F12-L54 HydrophobicContact CB-CB 4.43Å; F12-L54 HydrophobicContact CB-CD2 3.91Å; F12-L54 HydrophobicContact CD1-CB 4.12Å; F12-L54 HydrophobicContact CD1-CD1 3.9Å; F12-L54 HydrophobicContact CD1-CD2 4.04Å; F12-L54 HydrophobicContact CD1-CG 4.21Å; F12-L54 HydrophobicContact CE1-CD1 4.35Å; F12-L54 HydrophobicContact CG-CD2 4.3Å; W21-L54 HydrophobicContact CE3-CD1 4.48Å; W21-L54 HydrophobicContact CE3-CD2 4.35Å; W21-L54 HydrophobicContact CH2-CD2 4.21Å; W21-L54 HydrophobicContact CZ3-CD1 4.14Å; W21-L54 HydrophobicContact CZ3-CD2 3.53Å; W24-L54 HydrophobicContact CH2-CD2 4.45Å; W24-L54 HydrophobicContact CZ3-CD2 4.24Å; L46-L54 HydrophobicContact CD1-CD2 4.05Å; G50-L54 WeakPolarHBondContact O-CB 3.43Å; G51-L54 PolarHBondContact O-N 3.45Å; L54-R56 VanDerWaalsContact C-N 3.33Å; L54-R56 PolarHBondContact O-N 3.12Å; L54-L57 WeakPolarHBondContact O-CB 3.41Å; L54-L57 PolarHBondContact O-N 3.19Å; L54-M58 HydrophobicContact CD1-CG 4.47Å; L54-M58 HydrophobicContact CG-CE 3.99Å; L54-M58 WeakPolarHBondContact O-CG 3.11Å; L54-M58 PolarHBondContact O-N 3.48Å; L54-V79 HydrophobicContact CD1-CG1 3.78Å; L54-V79 HydrophobicContact CD1-CG2 3.88Å
55Y95.8Very high94.5Very high95 Ų9561 Ų6137%0.37332%0.323SS..Hα-helixtrans-61.6-41176.1-174.3-106000112.3F47 G51 M58 K59 P67F47-Y55 HydrophobicContact CB-CD2 3.9Å; F47-Y55 HydrophobicContact CB-CE2 4.07Å; F47-Y55 AromaticContact CD1-CD2 3.77Å; F47-Y55 HydrophobicContact CD1-CD2 3.77Å; F47-Y55 AromaticContact CD1-CE2 3.87Å; F47-Y55 HydrophobicContact CD1-CE2 3.87Å; F47-Y55 HydrophobicContact CE1-CE2 4.48Å; F47-Y55 HydrophobicContact CG-CD2 4.02Å; F47-Y55 AromaticContact CG-CE2 3.91Å; F47-Y55 HydrophobicContact CG-CE2 3.91Å; G51-Y55 PolarHBondContact O-N 3.01Å; Y55-M58 HydrophobicContact CD2-CE 4.22Å; Y55-M58 PolarHBondContact O-N 3.3Å; Y55-K59 WeakPolarHBondContact O-CB 3.28Å; Y55-K59 PolarHBondContact O-N 2.86Å; Y55-P67 HydrophobicContact CE2-CB 4.4Å; Y55-P67 HydrophobicContact CE2-CG 4.42Å
56R95.6Very high94.5Very high147 Ų14766.6 Ų66.656%0.55535%0.348SS*.Hα-helixtrans-60.9-45.8173.3-173.1-175-59.3144.44.2111.4P52 E53 L54 M58 K59 E60P52-R56 WeakPolarHBondContact O-CB 3.36Å; P52-R56 PolarHBondContact O-N 3.36Å; E53-R56 PolarHBondContact O-N 3.06Å; L54-R56 VanDerWaalsContact C-N 3.33Å; L54-R56 PolarHBondContact O-N 3.12Å; R56-M58 PolarHBondContact O-N 3.12Å; R56-K59 PolarHBondContact O-N 3.34Å; R56-E60 WeakPolarHBondContact CG-OE1 3.38Å; R56-E60 WeakPolarHBondContact O-CG 3.31Å; R56-E60 PolarHBondContact O-N 2.94Å
57L93.9Very high94.5Very high20 Ų2066.8 Ų66.811%0.10535%0.35CS..Hα-helixtrans-60.2-45.8178.3-172.5155.3000111.4E53 L54 K59 E60 A61 V79 R82 F83E53-L57 WeakPolarHBondContact O-CB 3.41Å; E53-L57 PolarHBondContact O-N 2.94Å; L54-L57 WeakPolarHBondContact O-CB 3.41Å; L54-L57 PolarHBondContact O-N 3.19Å; L57-K59 PolarHBondContact O-N 2.93Å; L57-E60 PolarHBondContact O-N 3.04Å; L57-A61 VanDerWaalsContact O-CB 3.23Å; L57-A61 WeakPolarHBondContact O-CB 3.02Å; L57-A61 PolarHBondContact O-N 2.94Å; L57-V79 HydrophobicContact CD2-CB 4.11Å; L57-V79 HydrophobicContact CD2-CG1 4Å; L57-V79 HydrophobicContact CD2-CG2 3.81Å; L57-R82 HydrophobicContact CD1-CG 3.98Å; L57-R82 HydrophobicContact CD2-CB 4.09Å; L57-R82 HydrophobicContact CD2-CG 4.11Å; L57-R82 HydrophobicContact CG-CG 4.04Å; L57-F83 HydrophobicContact CD1-CE1 4.12Å; L57-F83 HydrophobicContact CD1-CE2 4.01Å; L57-F83 HydrophobicContact CD1-CZ 3.52Å
58M95.4Very high94.4Very high2 Ų267.8 Ų67.81%0.0137%0.372CS..Hα-helixtrans-59.9-47.1175-73.4-176.8-67.600111.3L46 F47 L54 Y55 R56 E60 A61 V62 L75 V79L46-M58 HydrophobicContact CD2-SD 3.73Å; L46-M58 HydrophobicContact CG-CE 4.24Å; L46-M58 HydrophobicContact CG-SD 4.11Å; F47-M58 HydrophobicContact CD1-CE 3.59Å; F47-M58 HydrophobicContact CD1-SD 4.19Å; F47-M58 HydrophobicContact CE1-CE 4.02Å; F47-M58 HydrophobicContact CE1-SD 4.03Å; L54-M58 HydrophobicContact CD1-CG 4.47Å; L54-M58 HydrophobicContact CG-CE 3.99Å; L54-M58 WeakPolarHBondContact O-CG 3.11Å; L54-M58 PolarHBondContact O-N 3.48Å; Y55-M58 HydrophobicContact CD2-CE 4.22Å; Y55-M58 PolarHBondContact O-N 3.3Å; R56-M58 PolarHBondContact O-N 3.12Å; M58-E60 PolarHBondContact O-N 2.75Å; M58-A61 PolarHBondContact O-N 2.92Å; M58-A61 VanDerWaalsContact O-N 3.15Å; M58-V62 WeakPolarHBondContact O-CG2 3.18Å; M58-V62 PolarHBondContact O-N 2.87Å; M58-L75 HydrophobicContact CB-CD2 4.34Å; M58-L75 HydrophobicContact CG-CD2 4.35Å; M58-L75 HydrophobicContact SD-CB 4.27Å; M58-L75 HydrophobicContact SD-CD2 4.05Å; M58-V79 HydrophobicContact CG-CG2 3.5Å; M58-V79 HydrophobicContact SD-CG2 4.33Å
59K95.5Very high94.5Very high128 Ų12867 Ų6756%0.55737%0.367SS*.Hα-helixtrans-59.8-43.7179.3-171.3179.1-179.4179.10112.7Y55 R56 L57 A61 A63 P67Y55-K59 WeakPolarHBondContact O-CB 3.28Å; Y55-K59 PolarHBondContact O-N 2.86Å; R56-K59 PolarHBondContact O-N 3.34Å; L57-K59 PolarHBondContact O-N 2.93Å; K59-A61 VanDerWaalsContact C-N 3.31Å; K59-A63 PolarHBondContact O-N 3.24Å; K59-P67 HydrophobicContact CB-CG 4.11Å; K59-P67 HydrophobicContact CG-CG 4.43Å
60E95Very high94.6Very high116 Ų11666.3 Ų66.354%0.54237%0.365SS..Hα-helixtrans-64.2-39.1175.9-74.4174-164.900111.7R56 L57 M58R56-E60 WeakPolarHBondContact CG-OE1 3.38Å; R56-E60 WeakPolarHBondContact O-CG 3.31Å; R56-E60 PolarHBondContact O-N 2.94Å; L57-E60 PolarHBondContact O-N 3.04Å; M58-E60 PolarHBondContact O-N 2.75Å
61A92Very high94.6Very high42 Ų4269.3 Ų69.335%0.34738%0.384SS..Hα-helixtrans-82.5-21.1-170.700000114L57 M58 K59 T78L57-A61 VanDerWaalsContact O-CB 3.23Å; L57-A61 WeakPolarHBondContact O-CB 3.02Å; L57-A61 PolarHBondContact O-N 2.94Å; M58-A61 PolarHBondContact O-N 2.92Å; M58-A61 VanDerWaalsContact O-N 3.15Å; K59-A61 VanDerWaalsContact C-N 3.31Å; A61-T78 HydrophobicContact CB-CG2 3.28Å
62V94.6Very high94.5Very high11 Ų1170.1 Ų70.17%0.06739%0.385CS..Hα-helixtrans-101.3-2.2176-54.30000114.1M58 D65 P67 K70 L75 T78M58-V62 WeakPolarHBondContact O-CG2 3.18Å; M58-V62 PolarHBondContact O-N 2.87Å; V62-D65 WeakPolarHBondContact CG2-O 3.29Å; V62-D65 WeakPolarHBondContact O-CA 3.15Å; V62-D65 WeakPolarHBondContact O-CB 3.17Å; V62-D65 PolarHBondContact O-N 2.96Å; V62-P67 HydrophobicContact CG2-CB 4.39Å; V62-P67 HydrophobicContact CG2-CG 3.89Å; V62-K70 HydrophobicContact CB-CG 4.24Å; V62-K70 HydrophobicContact CG1-CG 4.03Å; V62-L75 HydrophobicContact CG1-CD2 4.28Å; V62-T78 HydrophobicContact CG1-CG2 4.2Å
63A94.2Very high94.4Very high66 Ų6671.2 Ų71.255%0.54538%0.382SS..THydrogen-bonded Turntrans-57.1140.9179.900000111.7K59K59-A63 PolarHBondContact O-N 3.24Å
64P94.9Very high94.3Very high129 Ų12971 Ų7184%0.83838%0.381SS*.THydrogen-bonded Turncis-83.8-1.59.435.4-37.5000115.2
65D96.1Very high94.3Very high82 Ų8271 Ų7144%0.43938%0.381SS..SBendtrans-71.6157179.7-57.5-37.8000111.4V62 K70V62-D65 WeakPolarHBondContact CG2-O 3.29Å; V62-D65 WeakPolarHBondContact O-CA 3.15Å; V62-D65 WeakPolarHBondContact O-CB 3.17Å; V62-D65 PolarHBondContact O-N 2.96Å; D65-K70 WeakPolarHBondContact OD2-CE 3.43Å; D65-K70 IonicContact OD2-NZ 2.69Å; D65-K70 PolarHBondContact OD2-NZ 2.72Å
66E93.9Very high94.2Very high143 Ų14367.7 Ų67.767%0.66837%0.371SS*.  trans-85139.6175.1-64.3-171.1159.200111.1G68 T69E66-G68 PolarHBondContact O-N 3.21Å; E66-G68 VanDerWaalsContact O-N 3.09Å; E66-T69 HydrophobicContact CB-CG2 4.2Å; E66-T69 WeakPolarHBondContact O-CB 3.45Å; E66-T69 PolarHBondContact O-N 3.39Å; E66-T69 PolarHBondContact O-OG1 2.63Å
67P93.6Very high94Very high5 Ų565.2 Ų65.23%0.03237%0.365CS..G310 helixtrans-51.9-35.7177.5-29.135000114F47 Y55 K59 V62 T69 K70 L75F47-P67 HydrophobicContact CE1-CB 3.75Å; F47-P67 HydrophobicContact CZ-CB 3.76Å; F47-P67 WeakPolarHBondContact CZ-O 3.31Å; Y55-P67 HydrophobicContact CE2-CB 4.4Å; Y55-P67 HydrophobicContact CE2-CG 4.42Å; K59-P67 HydrophobicContact CB-CG 4.11Å; K59-P67 HydrophobicContact CG-CG 4.43Å; V62-P67 HydrophobicContact CG2-CB 4.39Å; V62-P67 HydrophobicContact CG2-CG 3.89Å; P67-T69 PolarHBondContact O-N 3.21Å; P67-K70 PolarHBondContact O-N 2.77Å; P67-K70 VanDerWaalsContact O-N 3.15Å; P67-L75 HydrophobicContact CB-CD2 4.27Å
68G92.5Very high94Very high62 Ų6266.3 Ų66.364%0.63937%0.373SS*.G310 helixtrans-66.1-12.5178.500000115.1E66E66-G68 PolarHBondContact O-N 3.21Å; E66-G68 VanDerWaalsContact O-N 3.09Å
69T93.8Very high93.9Very high90 Ų9066.2 Ų66.255%0.55237%0.373SS*.G310 helixtrans-90.4-6.7176.266.80000113.3E66 P67E66-T69 HydrophobicContact CB-CG2 4.2Å; E66-T69 WeakPolarHBondContact O-CB 3.45Å; E66-T69 PolarHBondContact O-N 3.39Å; E66-T69 PolarHBondContact O-OG1 2.63Å; P67-T69 PolarHBondContact O-N 3.21Å
70K94.6Very high93.6Very high50 Ų5064.8 Ų64.822%0.21736%0.364CS..SBendtrans-99.1149.2-175.9-58.7-60.2-178.5-176.70111.6V62 D65 P67 Q74 L75V62-K70 HydrophobicContact CB-CG 4.24Å; V62-K70 HydrophobicContact CG1-CG 4.03Å; D65-K70 WeakPolarHBondContact OD2-CE 3.43Å; D65-K70 IonicContact OD2-NZ 2.69Å; D65-K70 PolarHBondContact OD2-NZ 2.72Å; P67-K70 PolarHBondContact O-N 2.77Å; P67-K70 VanDerWaalsContact O-N 3.15Å; K70-Q74 HydrophobicContact CB-CB 4.14Å; K70-L75 HydrophobicContact CB-CD2 3.97Å; K70-L75 HydrophobicContact CB-CG 3.87Å; K70-L75 HydrophobicContact CG-CD2 4.48Å
71T94Very high93.4Very high64 Ų6461.4 Ų61.439%0.39336%0.355SS..  trans-72.5164.2172.180.90000111E73 Q74 L75T71-E73 VanDerWaalsContact C-N 3.26Å; T71-E73 VanDerWaalsContact CB-OE2 3.27Å; T71-E73 WeakPolarHBondContact CB-OE2 3.25Å; T71-E73 PolarHBondContact O-N 3.15Å; T71-E73 PolarHBondContact OG1-N 3.4Å; T71-E73 PolarHBondContact OG1-OE2 3.47Å; T71-Q74 PolarHBondContact O-N 2.92Å; T71-Q74 WeakPolarHBondContact OG1-CG 3.34Å; T71-Q74 PolarHBondContact OG1-N 2.65Å; T71-L75 WeakPolarHBondContact O-CG 3.28Å; T71-L75 PolarHBondContact O-N 3.37Å
72M92.9Very high93.2Very high25 Ų2566.9 Ų66.912%0.12337%0.367CS..Hα-helixtrans-57.9-43.2176.4-175.367.8-173.900110.8L25 F28 R42 C43 L46 L75 T76L25-M72 HydrophobicContact CD1-CE 3.97Å; F28-M72 HydrophobicContact CD1-CE 3.92Å; F28-M72 HydrophobicContact CE1-CE 3.39Å; F28-M72 HydrophobicContact CE1-SD 4.49Å; F28-M72 HydrophobicContact CZ-CE 4.19Å; R42-M72 HydrophobicContact CB-SD 4.33Å; C43-M72 PolarHBondContact SG-N 2.73Å; C43-M72 VanDerWaalsContact SG-N 3.43Å; L46-M72 HydrophobicContact CB-CE 4.37Å; L46-M72 HydrophobicContact CB-SD 4.29Å; L46-M72 HydrophobicContact CD1-CE 4.41Å; L46-M72 HydrophobicContact CD2-CE 3.87Å; L46-M72 HydrophobicContact CD2-SD 3.78Å; L46-M72 HydrophobicContact CG-CE 4.44Å; M72-L75 PolarHBondContact O-N 3.44Å; M72-T76 HydrophobicContact CE-CG2 3.8Å; M72-T76 HydrophobicContact CG-CG2 4.38Å; M72-T76 VanDerWaalsContact O-CG2 3.25Å; M72-T76 WeakPolarHBondContact O-CG2 3.25Å; M72-T76 PolarHBondContact O-N 3.17Å; M72-T76 PolarHBondContact O-OG1 3.3Å; M72-T76 VanDerWaalsContact O-OG1 3.13Å; M72-T76 HydrophobicContact SD-CG2 4.46Å
73E92.7Very high92.9Very high122 Ų12268.7 Ų68.757%0.5737%0.374SS*.Hα-helixtrans-64.2-41.3179.4-56.969.2-145.900111.5T71 T76 E77T71-E73 VanDerWaalsContact C-N 3.26Å; T71-E73 VanDerWaalsContact CB-OE2 3.27Å; T71-E73 WeakPolarHBondContact CB-OE2 3.25Å; T71-E73 PolarHBondContact O-N 3.15Å; T71-E73 PolarHBondContact OG1-N 3.4Å; T71-E73 PolarHBondContact OG1-OE2 3.47Å; E73-T76 WeakPolarHBondContact CA-OG1 3.47Å; E73-T76 PolarHBondContact O-N 3.21Å; E73-T76 PolarHBondContact O-OG1 2.85Å; E73-E77 VanDerWaalsContact O-CB 3.28Å; E73-E77 WeakPolarHBondContact O-CB 3.47Å; E73-E77 PolarHBondContact O-N 2.79Å
74Q94.5Very high92.3Very high92 Ų9267.4 Ų67.443%0.4336%0.358SS..Hα-helixtrans-64-44.5176.5-72.3175-25.300111.1K70 T71 T78K70-Q74 HydrophobicContact CB-CB 4.14Å; T71-Q74 PolarHBondContact O-N 2.92Å; T71-Q74 WeakPolarHBondContact OG1-CG 3.34Å; T71-Q74 PolarHBondContact OG1-N 2.65Å; Q74-T78 VanDerWaalsContact O-CB 3.3Å; Q74-T78 WeakPolarHBondContact O-CB 3.15Å; Q74-T78 PolarHBondContact O-N 3.25Å; Q74-T78 PolarHBondContact O-OG1 3.02Å
75L94.8Very high91.4Very high1 Ų165.9 Ų65.91%0.00535%0.348CS..Hα-helixtrans-62.9-46.7177.5-69.4165.7000111.1C43 L46 F47 M58 V62 P67 K70 T71 M72 E77 T78 V79C43-L75 HydrophobicContact CB-CD1 4.33Å; L46-L75 HydrophobicContact CD2-CB 4.22Å; L46-L75 HydrophobicContact CD2-CD1 4.36Å; F47-L75 HydrophobicContact CE1-CD1 3.6Å; F47-L75 HydrophobicContact CE1-CD2 4.17Å; F47-L75 HydrophobicContact CZ-CD1 3.6Å; M58-L75 HydrophobicContact CB-CD2 4.34Å; M58-L75 HydrophobicContact CG-CD2 4.35Å; M58-L75 HydrophobicContact SD-CB 4.27Å; M58-L75 HydrophobicContact SD-CD2 4.05Å; V62-L75 HydrophobicContact CG1-CD2 4.28Å; P67-L75 HydrophobicContact CB-CD2 4.27Å; K70-L75 HydrophobicContact CB-CD2 3.97Å; K70-L75 HydrophobicContact CB-CG 3.87Å; K70-L75 HydrophobicContact CG-CD2 4.48Å; T71-L75 WeakPolarHBondContact O-CG 3.28Å; T71-L75 PolarHBondContact O-N 3.37Å; M72-L75 PolarHBondContact O-N 3.44Å; L75-E77 PolarHBondContact O-N 2.9Å; L75-T78 PolarHBondContact O-N 3.38Å; L75-V79 VanDerWaalsContact O-CG2 3.22Å; L75-V79 WeakPolarHBondContact O-CG2 3.35Å; L75-V79 PolarHBondContact O-N 3.03Å
76T93.6Very high90.2Very high24 Ų2466.6 Ų66.615%0.14736%0.355CS..Hα-helixtrans-65.8-40.4-17856.20000112.4W21 L25 M72 E73 V79 R80W21-T76 HydrophobicContact CH2-CG2 4.46Å; W21-T76 HydrophobicContact CZ2-CG2 3.94Å; L25-T76 HydrophobicContact CD1-CG2 3.74Å; L25-T76 HydrophobicContact CD2-CG2 3.93Å; M72-T76 HydrophobicContact CE-CG2 3.8Å; M72-T76 HydrophobicContact CG-CG2 4.38Å; M72-T76 VanDerWaalsContact O-CG2 3.25Å; M72-T76 WeakPolarHBondContact O-CG2 3.25Å; M72-T76 PolarHBondContact O-N 3.17Å; M72-T76 PolarHBondContact O-OG1 3.3Å; M72-T76 VanDerWaalsContact O-OG1 3.13Å; M72-T76 HydrophobicContact SD-CG2 4.46Å; E73-T76 WeakPolarHBondContact CA-OG1 3.47Å; E73-T76 PolarHBondContact O-N 3.21Å; E73-T76 PolarHBondContact O-OG1 2.85Å; T76-V79 PolarHBondContact O-N 3.35Å; T76-R80 WeakPolarHBondContact O-CB 3.43Å; T76-R80 PolarHBondContact O-N 2.95Å
77E92.3Very high88.9Confident96 Ų9664.2 Ų64.245%0.44935%0.352SS..Hα-helixtrans-69-38.4177.5-169.456.6-148.600111.6E73 L75 V79 R80 A81E73-E77 VanDerWaalsContact O-CB 3.28Å; E73-E77 WeakPolarHBondContact O-CB 3.47Å; E73-E77 PolarHBondContact O-N 2.79Å; L75-E77 PolarHBondContact O-N 2.9Å; E77-V79 PolarHBondContact O-N 3.28Å; E77-R80 PolarHBondContact O-N 3.36Å; E77-R80 IonicContact OE2-NH1 3.57Å; E77-A81 WeakPolarHBondContact O-CB 3.49Å; E77-A81 PolarHBondContact O-N 3.08Å
78T92.6Very high87.9Confident43 Ų4365.5 Ų65.526%0.26437%0.366SS..Hα-helixtrans-65.5-40.8177.1-51.30000111.3A61 V62 Q74 L75 R82A61-T78 HydrophobicContact CB-CG2 3.28Å; V62-T78 HydrophobicContact CG1-CG2 4.2Å; Q74-T78 VanDerWaalsContact O-CB 3.3Å; Q74-T78 WeakPolarHBondContact O-CB 3.15Å; Q74-T78 PolarHBondContact O-N 3.25Å; Q74-T78 PolarHBondContact O-OG1 3.02Å; L75-T78 PolarHBondContact O-N 3.38Å; T78-R82 PolarHBondContact O-N 2.78Å
79V92.8Very high87.5Confident0 Ų065.3 Ų65.30%035%0.35CS..Hα-helixtrans-64.4-45.3174174.50000110.7W21 L54 L57 M58 L75 T76 E77 A81 R82 F83W21-V79 HydrophobicContact CD2-CB 4.49Å; W21-V79 HydrophobicContact CD2-CG1 3.59Å; W21-V79 HydrophobicContact CE3-CG1 3.98Å; W21-V79 HydrophobicContact CG-CG1 4.04Å; W21-V79 HydrophobicContact CH2-CG1 4.25Å; W21-V79 HydrophobicContact CZ2-CB 3.95Å; W21-V79 HydrophobicContact CZ2-CG1 3.88Å; W21-V79 HydrophobicContact CZ2-CG2 4.44Å; W21-V79 HydrophobicContact CZ3-CG1 4.3Å; L54-V79 HydrophobicContact CD1-CG1 3.78Å; L54-V79 HydrophobicContact CD1-CG2 3.88Å; L57-V79 HydrophobicContact CD2-CB 4.11Å; L57-V79 HydrophobicContact CD2-CG1 4Å; L57-V79 HydrophobicContact CD2-CG2 3.81Å; M58-V79 HydrophobicContact CG-CG2 3.5Å; M58-V79 HydrophobicContact SD-CG2 4.33Å; L75-V79 VanDerWaalsContact O-CG2 3.22Å; L75-V79 WeakPolarHBondContact O-CG2 3.35Å; L75-V79 PolarHBondContact O-N 3.03Å; T76-V79 PolarHBondContact O-N 3.35Å; E77-V79 PolarHBondContact O-N 3.28Å; V79-A81 PolarHBondContact O-N 3.35Å; V79-R82 WeakPolarHBondContact O-CB 3.21Å; V79-R82 PolarHBondContact O-N 3.18Å; V79-R82 VanDerWaalsContact O-N 3.15Å; V79-F83 HydrophobicContact CG1-CD2 3.96Å; V79-F83 HydrophobicContact CG1-CE2 3.58Å; V79-F83 VanDerWaalsContact O-CD2 3.25Å; V79-F83 WeakPolarHBondContact O-CD2 3.4Å; V79-F83 PolarHBondContact O-N 2.59Å
80R91.1Very high87.1Confident98 Ų9869.3 Ų69.337%0.3736%0.356SS..Hα-helixtrans-57.8-49.9176.5177.5-177.3-104.5153.5-6.4111.2V18 E22 T76 E77 R82 F83 D84V18-R80 HydrophobicContact CG2-CG 4.37Å; E22-R80 IonicContact OE1-CZ 3.6Å; E22-R80 IonicContact OE1-NE 3.79Å; E22-R80 IonicContact OE1-NH2 3.54Å; E22-R80 PolarHBondContact OE1-NH2 3.29Å; T76-R80 WeakPolarHBondContact O-CB 3.43Å; T76-R80 PolarHBondContact O-N 2.95Å; E77-R80 PolarHBondContact O-N 3.36Å; E77-R80 IonicContact OE2-NH1 3.57Å; R80-R82 PolarHBondContact O-N 3.01Å; R80-F83 PolarHBondContact O-N 2.85Å; R80-D84 PolarHBondContact O-N 3.04Å
81A89.5Confident86.7Confident44 Ų4469.9 Ų69.936%0.36437%0.365SS..Hα-helixtrans-61.3-24.4179.300000113.1E77 V79 D84 P85E77-A81 WeakPolarHBondContact O-CB 3.49Å; E77-A81 PolarHBondContact O-N 3.08Å; V79-A81 PolarHBondContact O-N 3.35Å; A81-D84 CarbonylContact O-C 3.53Å; A81-P85 WeakPolarHBondContact O-CA 3.19Å; A81-P85 WeakPolarHBondContact O-CB 3.19Å
82R88.9Confident86.4Confident157 Ų15767.1 Ų67.159%0.59235%0.349SS*.Hα-helixtrans-71.5-36.9173.4-173.856.8165.8168.1-4.4112.4L57 T78 V79 R80L57-R82 HydrophobicContact CD1-CG 3.98Å; L57-R82 HydrophobicContact CD2-CB 4.09Å; L57-R82 HydrophobicContact CD2-CG 4.11Å; L57-R82 HydrophobicContact CG-CG 4.04Å; T78-R82 PolarHBondContact O-N 2.78Å; V79-R82 WeakPolarHBondContact O-CB 3.21Å; V79-R82 PolarHBondContact O-N 3.18Å; V79-R82 VanDerWaalsContact O-N 3.15Å; R80-R82 PolarHBondContact O-N 3.01Å
83F87Confident86.3Confident49 Ų4969.4 Ų69.422%0.21536%0.356CS..Hα-helixtrans-86.7-29.7179.2-66-60.9000113.4F12 V14 V18 W21 L57 V79 R80F12-F83 AromaticContact CE1-CE2 3.68Å; F12-F83 HydrophobicContact CE1-CE2 3.68Å; F12-F83 AromaticContact CE1-CZ 3.63Å; F12-F83 HydrophobicContact CE1-CZ 3.63Å; F12-F83 AromaticContact CZ-CE2 3.95Å; F12-F83 HydrophobicContact CZ-CE2 3.95Å; F12-F83 AromaticContact CZ-CZ 3.98Å; F12-F83 HydrophobicContact CZ-CZ 3.98Å; V14-F83 HydrophobicContact CB-CZ 4.26Å; V18-F83 HydrophobicContact CB-CB 3.71Å; V18-F83 HydrophobicContact CG2-CB 4.44Å; W21-F83 HydrophobicContact CB-CD2 4.16Å; W21-F83 HydrophobicContact CB-CE2 4.28Å; W21-F83 HydrophobicContact CG-CD2 4.37Å; L57-F83 HydrophobicContact CD1-CE1 4.12Å; L57-F83 HydrophobicContact CD1-CE2 4.01Å; L57-F83 HydrophobicContact CD1-CZ 3.52Å; V79-F83 HydrophobicContact CG1-CD2 3.96Å; V79-F83 HydrophobicContact CG1-CE2 3.58Å; V79-F83 VanDerWaalsContact O-CD2 3.25Å; V79-F83 WeakPolarHBondContact O-CD2 3.4Å; V79-F83 PolarHBondContact O-N 2.59Å; R80-F83 PolarHBondContact O-N 2.85Å
84D81.6Confident86.2Confident39 Ų3966.5 Ų66.521%0.20935%0.353CS..  trans-128.977.2174.7-164.64.7000110.4V18 R80 A81 V86 P87 R120V18-D84 HydrophobicContact CB-CB 4.48Å; V18-D84 HydrophobicContact CG2-CB 4.25Å; R80-D84 PolarHBondContact O-N 3.04Å; A81-D84 CarbonylContact O-C 3.53Å; D84-V86 PolarHBondContact O-N 2.57Å; D84-P87 WeakPolarHBondContact O-CD 3.48Å; D84-R120 IonicContact OD2-NH2 3.46Å
85P76.7Confident86.1Confident98 Ų9866.6 Ų66.664%0.63635%0.353SS*.SBendtrans-72.6-15.7-175.628.5-35.9000113.9A81 P87A81-P85 WeakPolarHBondContact O-CA 3.19Å; A81-P85 WeakPolarHBondContact O-CB 3.19Å; P85-P87 WeakPolarHBondContact O-CD 3.44Å
86V70.7Confident86.1Confident97 Ų9766.6 Ų66.659%0.58835%0.353SS*.SBendtrans-119.568.3173-170.40000107.6D84 G88 P91D84-V86 PolarHBondContact O-N 2.57Å; V86-G88 PolarHBondContact O-N 3.5Å; V86-P91 HydrophobicContact CG1-CG 4.21Å
87P66.6Low86.2Confident93 Ų9370.6 Ų70.660%0.60437%0.366SS*.  trans-62.4116.9179.527.1-31.8000107.7D84 P85D84-P87 WeakPolarHBondContact O-CD 3.48Å; P85-P87 WeakPolarHBondContact O-CD 3.44Å
88G73.6Confident86.4Confident31 Ų3169.4 Ų69.432%0.3237%0.373SS..  trans-167.5135.3-174.700000112.7V86 Y90 P91 A92V86-G88 PolarHBondContact O-N 3.5Å; G88-Y90 PolarHBondContact O-N 2.87Å; G88-P91 VanDerWaalsContact O-CD 3.31Å; G88-P91 WeakPolarHBondContact O-CD 3.43Å; G88-A92 PolarHBondContact O-N 3.28Å
89I83.3Confident86.7Confident59 Ų5968.5 Ų68.530%0.30337%0.365SS..Hα-helixtrans-56.1-35.3174-64.1171.2000110.7R93 Q122I89-R93 HydrophobicContact CG2-CG 4.31Å; I89-R93 VanDerWaalsContact CG2-NE 3.32Å; I89-R93 WeakPolarHBondContact O-CB 3.37Å; I89-R93 WeakPolarHBondContact O-CG 3.36Å; I89-R93 PolarHBondContact O-N 2.83Å; I89-Q122 HydrophobicContact CG1-CG 4.44Å
90Y86.1Confident86.9Confident174 Ų17472.7 Ų72.768%0.68238%0.383SS*.Hα-helixtrans-75.4-45.6-175.3-62.9-69.6000114.7G88 A92 R93 A94G88-Y90 PolarHBondContact O-N 2.87Å; Y90-A92 VanDerWaalsContact C-N 3.32Å; Y90-A92 PolarHBondContact O-N 2.87Å; Y90-R93 PolarHBondContact O-N 3.42Å; Y90-A94 WeakPolarHBondContact O-CB 3.32Å; Y90-A94 PolarHBondContact O-N 2.82Å
91P85.9Confident87.2Confident62 Ų6269.2 Ų69.240%0.40337%0.371SS..Hα-helixtrans-52-47.6167.6-3033.9000113.2V86 G88 R93 A94 E95V86-P91 HydrophobicContact CG1-CG 4.21Å; G88-P91 VanDerWaalsContact O-CD 3.31Å; G88-P91 WeakPolarHBondContact O-CD 3.43Å; P91-R93 PolarHBondContact O-N 3.16Å; P91-A94 PolarHBondContact O-N 2.99Å; P91-E95 PolarHBondContact O-N 3.31Å
92A86.9Confident87.6Confident6 Ų675 Ų755%0.0538%0.383CS..Hα-helixtrans-61.2-43.3177.900000112.2G88 Y90 E95 F96 R120 S121G88-A92 PolarHBondContact O-N 3.28Å; Y90-A92 VanDerWaalsContact C-N 3.32Å; Y90-A92 PolarHBondContact O-N 2.87Å; A92-E95 PolarHBondContact O-N 3.48Å; A92-F96 WeakPolarHBondContact O-CB 3.47Å; A92-F96 PolarHBondContact O-N 2.78Å; A92-R120 HydrophobicContact CB-CB 3.97Å; A92-S121 VanDerWaalsContact C-OG 3.29Å; A92-S121 PolarHBondContact O-OG 2.8Å
93R91.2Very high87.8Confident73 Ų7374.1 Ų74.128%0.27540%0.398SS..Hα-helixtrans-63.3-41174.6-76.8176.9179.4-1750.2112.4I89 Y90 P91 E95 F96 Y97 S121 F123I89-R93 HydrophobicContact CG2-CG 4.31Å; I89-R93 VanDerWaalsContact CG2-NE 3.32Å; I89-R93 WeakPolarHBondContact O-CB 3.37Å; I89-R93 WeakPolarHBondContact O-CG 3.36Å; I89-R93 PolarHBondContact O-N 2.83Å; Y90-R93 PolarHBondContact O-N 3.42Å; P91-R93 PolarHBondContact O-N 3.16Å; R93-E95 VanDerWaalsContact C-N 3.34Å; R93-F96 WeakPolarHBondContact O-CB 3.28Å; R93-F96 PolarHBondContact O-N 2.92Å; R93-Y97 HydrophobicContact CB-CE2 4.42Å; R93-Y97 WeakPolarHBondContact O-CD2 3.26Å; R93-Y97 PolarHBondContact O-N 3.48Å; R93-S121 WeakPolarHBondContact CA-OG 3.36Å; R93-S121 PolarHBondContact N-OG 2.98Å; R93-S121 PolarHBondContact NE-O 2.83Å; R93-F123 HydrophobicContact CG-CE1 3.87Å; R93-F123 HydrophobicContact CG-CZ 3.94Å
94A91Very high88.1Confident61 Ų6176.1 Ų76.150%0.50443%0.433SS..Hα-helixtrans-62.9-43.117700000111Y90 P91 Y97 A98Y90-A94 WeakPolarHBondContact O-CB 3.32Å; Y90-A94 PolarHBondContact O-N 2.82Å; P91-A94 PolarHBondContact O-N 2.99Å; A94-Y97 PolarHBondContact O-N 2.67Å; A94-A98 WeakPolarHBondContact O-CB 3.37Å; A94-A98 PolarHBondContact O-N 3.37Å
95E91.8Very high88.8Confident94 Ų9475.9 Ų75.944%0.43943%0.43SS..Hα-helixtrans-62.5-44.9174.5-170.9176176.800111.6P91 A92 R93 Y97 A98 R99 L117P91-E95 PolarHBondContact O-N 3.31Å; A92-E95 PolarHBondContact O-N 3.48Å; R93-E95 VanDerWaalsContact C-N 3.34Å; E95-Y97 PolarHBondContact O-N 3.01Å; E95-A98 PolarHBondContact O-N 3.49Å; E95-R99 WeakPolarHBondContact O-CB 3.47Å; E95-R99 PolarHBondContact O-N 3.25Å; E95-L117 HydrophobicContact CB-CD2 4.11Å; E95-L117 VanDerWaalsContact CD-CD2 3.43Å; E95-L117 HydrophobicContact CG-CD1 4.12Å; E95-L117 HydrophobicContact CG-CD2 3.67Å
96F95.3Very high89.7Confident0 Ų072.9 Ų72.90%041%0.411CS..Hα-helixtrans-53.6-54.1174179.1-91.2000111.7A92 R93 A98 R99 L114 L117 A118 F123 R136 I137 Q140A92-F96 WeakPolarHBondContact O-CB 3.47Å; A92-F96 PolarHBondContact O-N 2.78Å; R93-F96 WeakPolarHBondContact O-CB 3.28Å; R93-F96 PolarHBondContact O-N 2.92Å; F96-A98 VanDerWaalsContact C-N 3.3Å; F96-A98 PolarHBondContact O-N 2.91Å; F96-R99 WeakPolarHBondContact O-CB 3.42Å; F96-R99 PolarHBondContact O-N 3.47Å; F96-L114 HydrophobicContact CD2-CD2 4.36Å; F96-L114 HydrophobicContact CE2-CB 4.4Å; F96-L114 HydrophobicContact CE2-CD2 4.17Å; F96-L117 HydrophobicContact CB-CB 4.09Å; F96-L117 HydrophobicContact CD2-CB 3.8Å; F96-L117 HydrophobicContact CG-CB 4.46Å; F96-A118 HydrophobicContact CD2-CB 4.33Å; F96-A118 HydrophobicContact CE2-CB 3.98Å; F96-F123 AromaticContact CD1-CE2 3.72Å; F96-F123 HydrophobicContact CD1-CE2 3.72Å; F96-F123 AromaticContact CD1-CZ 3.93Å; F96-F123 HydrophobicContact CD1-CZ 3.93Å; F96-F123 AromaticContact CD2-CE2 3.97Å; F96-F123 HydrophobicContact CD2-CE2 3.97Å; F96-F123 AromaticContact CE1-CE2 3.84Å; F96-F123 HydrophobicContact CE1-CE2 3.84Å; F96-F123 HydrophobicContact CE1-CZ 4.26Å; F96-F123 HydrophobicContact CE2-CE2 4.08Å; F96-F123 AromaticContact CG-CE2 3.8Å; F96-F123 HydrophobicContact CG-CE2 3.8Å; F96-F123 HydrophobicContact CG-CZ 4.26Å; F96-F123 HydrophobicContact CZ-CE2 4.01Å; F96-R136 HydrophobicContact CE1-CB 3.99Å; F96-R136 HydrophobicContact CZ-CB 3.95Å; F96-R136 WeakPolarHBondContact CZ-O 3.25Å; F96-I137 HydrophobicContact CE2-CG1 4.08Å; F96-I137 HydrophobicContact CZ-CG1 4.27Å; F96-Q140 HydrophobicContact CD1-CG 4.48Å; F96-Q140 HydrophobicContact CE1-CB 3.72Å; F96-Q140 HydrophobicContact CE1-CG 4.12Å; F96-Q140 HydrophobicContact CZ-CB 3.75Å; F96-Q140 HydrophobicContact CZ-CG 4.29Å; F96-Q140 WeakPolarHBondContact O-CG 3.46Å; F96-Q140 PolarHBondContact O-NE2 2.78Å
97Y96.3Very high91Very high108 Ų10868.5 Ų68.542%0.42439%0.385SS..Hα-helixtrans-71.2-24-178.3-69.1-59.4000113.3R93 A94 E95 F123 R136 Q140R93-Y97 HydrophobicContact CB-CE2 4.42Å; R93-Y97 WeakPolarHBondContact O-CD2 3.26Å; R93-Y97 PolarHBondContact O-N 3.48Å; A94-Y97 PolarHBondContact O-N 2.67Å; E95-Y97 PolarHBondContact O-N 3.01Å; Y97-F123 HydrophobicContact CE2-CZ 4.34Å; Y97-R136 WeakPolarHBondContact OH-CD 3.27Å; Y97-R136 PolarHBondContact OH-NE 3.05Å; Y97-Q140 PolarHBondContact O-NE2 3.35Å; Y97-Q140 PolarHBondContact O-OE1 3.35Å
98A96.2Very high92.5Very high72 Ų7266.7 Ų66.760%0.59537%0.374SS*.Hα-helixtrans-79.5-21.9172.900000113.3A94 E95 F96 K100A94-A98 WeakPolarHBondContact O-CB 3.37Å; A94-A98 PolarHBondContact O-N 3.37Å; E95-A98 PolarHBondContact O-N 3.49Å; F96-A98 VanDerWaalsContact C-N 3.3Å; F96-A98 PolarHBondContact O-N 2.91Å; A98-K100 PolarHBondContact O-N 3.33Å
99R97.2Very high93.6Very high24 Ų2469.6 Ų69.69%0.09138%0.383CS..  trans-65.2119.2-172.9-172.557.6169.686.86112.5E95 F96 E105 F110 S113 L114 L117 Q140E95-R99 WeakPolarHBondContact O-CB 3.47Å; E95-R99 PolarHBondContact O-N 3.25Å; F96-R99 WeakPolarHBondContact O-CB 3.42Å; F96-R99 PolarHBondContact O-N 3.47Å; R99-E105 IonicContact CZ-OE1 3.63Å; R99-E105 IonicContact CZ-OE2 3.43Å; R99-E105 IonicContact NH1-OE1 3.72Å; R99-E105 IonicContact NH1-OE2 2.75Å; R99-E105 PolarHBondContact NH1-OE2 2.89Å; R99-E105 VanDerWaalsContact NH2-CD 3.29Å; R99-E105 IonicContact NH2-OE1 2.63Å; R99-E105 PolarHBondContact NH2-OE1 3.34Å; R99-E105 IonicContact NH2-OE2 3.17Å; R99-E105 PolarHBondContact NH2-OE2 3.29Å; R99-E105 VanDerWaalsContact NH2-OE2 3.17Å; R99-F110 HydrophobicContact CG-CE2 4.09Å; R99-S113 VanDerWaalsContact NH2-CB 3.26Å; R99-S113 PolarHBondContact NH2-OG 2.7Å; R99-L114 HydrophobicContact CB-CD2 3.85Å; R99-L114 HydrophobicContact CG-CD2 3.77Å; R99-L117 HydrophobicContact CB-CD1 3.78Å; R99-L117 HydrophobicContact CG-CD1 3.8Å; R99-Q140 PolarHBondContact O-NE2 3.48Å
100K98.1Very high94.3Very high88 Ų8866.8 Ų66.838%0.38337%0.368SS..  trans-123.2149.3173.2-55.5-63.4167-156.10109.5A98 R102A98-K100 PolarHBondContact O-N 3.33Å; K100-R102 PolarHBondContact O-N 2.91Å
101Q98.2Very high94.8Very high24 Ų2458.8 Ų58.811%0.11234%0.337CS..PPolyproline II helixtrans-56.1123.7176.4-171.9171.27.800109.5E105 F110 G144 A146Q101-E105 WeakPolarHBondContact CA-OE2 3.45Å; Q101-E105 HydrophobicContact CG-CB 4.23Å; Q101-E105 HydrophobicContact CG-CG 4.3Å; Q101-E105 PolarHBondContact NE2-O 3.44Å; Q101-F110 HydrophobicContact CB-CB 4.28Å; Q101-F110 HydrophobicContact CB-CD1 3.67Å; Q101-F110 HydrophobicContact CB-CD2 4.17Å; Q101-F110 HydrophobicContact CB-CE1 4Å; Q101-F110 HydrophobicContact CB-CE2 4.45Å; Q101-F110 HydrophobicContact CB-CG 3.77Å; Q101-F110 HydrophobicContact CB-CZ 4.38Å; Q101-F110 HydrophobicContact CG-CB 4.01Å; Q101-F110 HydrophobicContact CG-CD1 4.11Å; Q101-F110 HydrophobicContact CG-CG 4.06Å; Q101-G144 PolarHBondContact N-O 2.95Å; Q101-A146 HydrophobicContact CB-CB 4.21Å; Q101-A146 HydrophobicContact CG-CB 4.1Å
102R96Very high95.2Very high166 Ų16658.5 Ų58.563%0.62634%0.34SS*.PPolyproline II helixtrans-72.9155.6-178.4-62.7179.5-177.6178.42.5110.1K100 G104 E105K100-R102 PolarHBondContact O-N 2.91Å; R102-G104 PolarHBondContact O-N 2.78Å; R102-E105 HydrophobicContact CB-CB 3.93Å; R102-E105 PolarHBondContact N-OE2 3.06Å; R102-E105 WeakPolarHBondContact O-CB 3.38Å; R102-E105 PolarHBondContact O-N 3.2Å
103P94Very high95.6Very high138 Ų13859.9 Ų59.990%0.89635%0.35SS*.THydrogen-bonded Turntrans-56.8125.4172.6-23.334.2000111.1E105P103-E105 PolarHBondContact O-N 3.19Å
104G92.8Very high95.9Very high92 Ų9256.4 Ų56.495%0.94834%0.336SS*.THydrogen-bonded Turntrans76.8-1.5-178.600000115.4R102R102-G104 PolarHBondContact O-N 2.78Å
105E96.7Very high96Very high33 Ų3359.8 Ų59.815%0.15434%0.336CS..  trans-73.7134.7172.8170.8174.3-137.100110.7R99 Q101 R102 P103 N109 F110R99-E105 IonicContact CZ-OE1 3.63Å; R99-E105 IonicContact CZ-OE2 3.43Å; R99-E105 IonicContact NH1-OE1 3.72Å; R99-E105 IonicContact NH1-OE2 2.75Å; R99-E105 PolarHBondContact NH1-OE2 2.89Å; R99-E105 VanDerWaalsContact NH2-CD 3.29Å; R99-E105 IonicContact NH2-OE1 2.63Å; R99-E105 PolarHBondContact NH2-OE1 3.34Å; R99-E105 IonicContact NH2-OE2 3.17Å; R99-E105 PolarHBondContact NH2-OE2 3.29Å; R99-E105 VanDerWaalsContact NH2-OE2 3.17Å; Q101-E105 WeakPolarHBondContact CA-OE2 3.45Å; Q101-E105 HydrophobicContact CG-CB 4.23Å; Q101-E105 HydrophobicContact CG-CG 4.3Å; Q101-E105 PolarHBondContact NE2-O 3.44Å; R102-E105 HydrophobicContact CB-CB 3.93Å; R102-E105 PolarHBondContact N-OE2 3.06Å; R102-E105 WeakPolarHBondContact O-CB 3.38Å; R102-E105 PolarHBondContact O-N 3.2Å; P103-E105 PolarHBondContact O-N 3.19Å; E105-N109 HydrophobicContact CG-CB 3.99Å; E105-F110 HydrophobicContact CG-CB 4.24Å; E105-F110 PolarHBondContact OE1-N 3.29Å
106S96.8Very high95.8Very high35 Ų3556.8 Ų56.825%0.24532%0.322CS..  trans-69.6153.6175.971.10000112.4S108 N109 F110 E173S106-S108 PolarHBondContact O-N 3.04Å; S106-N109 PolarHBondContact O-N 3.24Å; S106-N109 WeakPolarHBondContact OG-CB 3.34Å; S106-N109 PolarHBondContact OG-N 2.89Å; S106-N109 PolarHBondContact OG-ND2 3.49Å; S106-F110 PolarHBondContact O-N 3.35Å; S106-E173 VanDerWaalsContact CA-OE1 3.29Å; S106-E173 WeakPolarHBondContact CA-OE1 3.03Å
107V97.7Very high95.6Very high6 Ų657.1 Ų57.14%0.03632%0.324CS..Hα-helixtrans-54.5-40.5173.6158.40000111.9L111 F141 Y166 A169 L170 E173V107-L111 PolarHBondContact O-N 2.83Å; V107-L111 VanDerWaalsContact O-N 3.07Å; V107-F141 HydrophobicContact CG1-CE2 4.43Å; V107-F141 HydrophobicContact CG1-CZ 3.85Å; V107-Y166 HydrophobicContact CG1-CD2 3.72Å; V107-Y166 HydrophobicContact CG1-CE2 3.51Å; V107-A169 HydrophobicContact CG1-CB 3.78Å; V107-A169 HydrophobicContact CG2-CB 3.97Å; V107-L170 HydrophobicContact CB-CD2 4.26Å; V107-L170 HydrophobicContact CG1-CD2 3.91Å; V107-L170 HydrophobicContact CG1-CG 4.09Å; V107-E173 HydrophobicContact CG2-CB 4.2Å; V107-E173 PolarHBondContact N-OE1 3.41Å
108S97.6Very high95.4Very high54 Ų5452 Ų5238%0.37830%0.304SS..Hα-helixtrans-62.4-48.8177.6-174.70000112.2S106 F110 L111 A112S106-S108 PolarHBondContact O-N 3.04Å; S108-F110 VanDerWaalsContact C-N 3.31Å; S108-F110 PolarHBondContact O-N 3.3Å; S108-L111 PolarHBondContact O-N 3.12Å; S108-A112 WeakPolarHBondContact O-CB 3.4Å; S108-A112 PolarHBondContact O-N 2.84Å
109N95.8Very high94.9Very high92 Ų9255 Ų5549%0.49230%0.3SS..Hα-helixtrans-65.7-36.5-179.1-70.9-3.5000112E105 S106 A112 S113E105-N109 HydrophobicContact CG-CB 3.99Å; S106-N109 PolarHBondContact O-N 3.24Å; S106-N109 WeakPolarHBondContact OG-CB 3.34Å; S106-N109 PolarHBondContact OG-N 2.89Å; S106-N109 PolarHBondContact OG-ND2 3.49Å; N109-A112 PolarHBondContact O-N 3.02Å; N109-S113 WeakPolarHBondContact O-CB 3.45Å; N109-S113 PolarHBondContact O-N 3.43Å; N109-S113 PolarHBondContact O-OG 2.81Å
110F98.3Very high94.3Very high0 Ų056.9 Ų56.90%031%0.307CS..Hα-helixtrans-64.1-46.2174.9176.8-137.8000111.8R99 Q101 E105 S106 S108 S113 L114 F141 M145R99-F110 HydrophobicContact CG-CE2 4.09Å; Q101-F110 HydrophobicContact CB-CB 4.28Å; Q101-F110 HydrophobicContact CB-CD1 3.67Å; Q101-F110 HydrophobicContact CB-CD2 4.17Å; Q101-F110 HydrophobicContact CB-CE1 4Å; Q101-F110 HydrophobicContact CB-CE2 4.45Å; Q101-F110 HydrophobicContact CB-CG 3.77Å; Q101-F110 HydrophobicContact CB-CZ 4.38Å; Q101-F110 HydrophobicContact CG-CB 4.01Å; Q101-F110 HydrophobicContact CG-CD1 4.11Å; Q101-F110 HydrophobicContact CG-CG 4.06Å; E105-F110 HydrophobicContact CG-CB 4.24Å; E105-F110 PolarHBondContact OE1-N 3.29Å; S106-F110 PolarHBondContact O-N 3.35Å; S108-F110 VanDerWaalsContact C-N 3.31Å; S108-F110 PolarHBondContact O-N 3.3Å; F110-S113 PolarHBondContact O-N 2.77Å; F110-L114 HydrophobicContact CD2-CD1 4.29Å; F110-L114 HydrophobicContact CD2-CG 4.18Å; F110-L114 HydrophobicContact CE1-CD1 4.19Å; F110-L114 HydrophobicContact CE2-CD1 3.72Å; F110-L114 HydrophobicContact CE2-CD2 4.05Å; F110-L114 HydrophobicContact CE2-CG 3.78Å; F110-L114 HydrophobicContact CZ-CD1 3.66Å; F110-L114 HydrophobicContact CZ-CG 4.25Å; F110-L114 WeakPolarHBondContact O-CG 3.39Å; F110-L114 PolarHBondContact O-N 2.93Å; F110-F141 AromaticContact CD1-CD2 3.46Å; F110-F141 HydrophobicContact CD1-CD2 3.46Å; F110-F141 VanDerWaalsContact CD1-CD2 3.46Å; F110-F141 AromaticContact CD1-CE2 3.5Å; F110-F141 HydrophobicContact CD1-CE2 3.5Å; F110-F141 HydrophobicContact CD1-CG 4.5Å; F110-F141 HydrophobicContact CE1-CB 4.49Å; F110-F141 AromaticContact CE1-CD2 3.49Å; F110-F141 HydrophobicContact CE1-CD2 3.49Å; F110-F141 VanDerWaalsContact CE1-CD2 3.49Å; F110-F141 AromaticContact CE1-CE2 3.97Å; F110-F141 HydrophobicContact CE1-CE2 3.97Å; F110-F141 HydrophobicContact CE1-CG 4.15Å; F110-F141 HydrophobicContact CG-CD2 4.3Å; F110-F141 HydrophobicContact CG-CE2 4.34Å; F110-F141 HydrophobicContact CZ-CD2 4.35Å; F110-M145 HydrophobicContact CE1-CB 4.33Å
111L97.8Very high93.8Very high7 Ų752.7 Ų52.74%0.03729%0.289CS..Hα-helixtrans-63.9-42.4176.7-178.761.4000111.8V107 S108 S113 L114 R115 I137 F141 L162 Y166V107-L111 PolarHBondContact O-N 2.83Å; V107-L111 VanDerWaalsContact O-N 3.07Å; S108-L111 PolarHBondContact O-N 3.12Å; L111-S113 VanDerWaalsContact C-N 3.34Å; L111-S113 PolarHBondContact O-N 2.78Å; L111-L114 PolarHBondContact O-N 3.14Å; L111-R115 PolarHBondContact O-N 2.75Å; L111-I137 HydrophobicContact CD1-CG2 3.61Å; L111-F141 HydrophobicContact CB-CD2 4.19Å; L111-F141 HydrophobicContact CB-CE2 3.84Å; L111-F141 HydrophobicContact CD1-CD2 4.12Å; L111-F141 HydrophobicContact CD1-CE2 4.44Å; L111-L162 HydrophobicContact CD1-CD1 4.1Å; L111-Y166 HydrophobicContact CB-CD2 4.3Å; L111-Y166 HydrophobicContact CB-CE2 4.23Å; L111-Y166 HydrophobicContact CD2-CD1 4.31Å; L111-Y166 HydrophobicContact CD2-CD2 3.38Å; L111-Y166 HydrophobicContact CD2-CE2 3.69Å; L111-Y166 HydrophobicContact CD2-CG 3.72Å; L111-Y166 HydrophobicContact CG-CD2 4.43Å
112A94.3Very high93.1Very high55 Ų5556.6 Ų56.646%0.45531%0.307SS..Hα-helixtrans-59.4-44.8176.300000111.5S108 N109 L114 R115 H116S108-A112 WeakPolarHBondContact O-CB 3.4Å; S108-A112 PolarHBondContact O-N 2.84Å; N109-A112 PolarHBondContact O-N 3.02Å; A112-L114 PolarHBondContact O-N 2.81Å; A112-R115 PolarHBondContact O-N 2.82Å; A112-H116 WeakPolarHBondContact O-CB 3.42Å; A112-H116 PolarHBondContact O-N 3.17Å
113S94.6Very high92.5Very high36 Ų3649.3 Ų49.325%0.25228%0.28SS..Hα-helixtrans-60.6-42.4175.5-60.40000112.3R99 N109 F110 L111 H116 L117R99-S113 VanDerWaalsContact NH2-CB 3.26Å; R99-S113 PolarHBondContact NH2-OG 2.7Å; N109-S113 WeakPolarHBondContact O-CB 3.45Å; N109-S113 PolarHBondContact O-N 3.43Å; N109-S113 PolarHBondContact O-OG 2.81Å; F110-S113 PolarHBondContact O-N 2.77Å; L111-S113 VanDerWaalsContact C-N 3.34Å; L111-S113 PolarHBondContact O-N 2.78Å; S113-H116 PolarHBondContact O-N 2.9Å; S113-L117 WeakPolarHBondContact O-CG 3.42Å; S113-L117 PolarHBondContact O-N 2.9Å
114L96.3Very high91.4Very high0 Ų048.7 Ų48.70%027%0.265CS..Hα-helixtrans-66.1-41.3178-73178.7000112.5F96 R99 F110 L111 A112 H116 L117 A118 I137 Q140 F141F96-L114 HydrophobicContact CD2-CD2 4.36Å; F96-L114 HydrophobicContact CE2-CB 4.4Å; F96-L114 HydrophobicContact CE2-CD2 4.17Å; R99-L114 HydrophobicContact CB-CD2 3.85Å; R99-L114 HydrophobicContact CG-CD2 3.77Å; F110-L114 HydrophobicContact CD2-CD1 4.29Å; F110-L114 HydrophobicContact CD2-CG 4.18Å; F110-L114 HydrophobicContact CE1-CD1 4.19Å; F110-L114 HydrophobicContact CE2-CD1 3.72Å; F110-L114 HydrophobicContact CE2-CD2 4.05Å; F110-L114 HydrophobicContact CE2-CG 3.78Å; F110-L114 HydrophobicContact CZ-CD1 3.66Å; F110-L114 HydrophobicContact CZ-CG 4.25Å; F110-L114 WeakPolarHBondContact O-CG 3.39Å; F110-L114 PolarHBondContact O-N 2.93Å; L111-L114 PolarHBondContact O-N 3.14Å; A112-L114 PolarHBondContact O-N 2.81Å; L114-H116 VanDerWaalsContact C-N 3.28Å; L114-H116 PolarHBondContact O-N 2.94Å; L114-L117 PolarHBondContact O-N 3.39Å; L114-A118 VanDerWaalsContact O-CB 3.32Å; L114-A118 WeakPolarHBondContact O-CB 3.28Å; L114-A118 PolarHBondContact O-N 2.84Å; L114-I137 HydrophobicContact CB-CG2 4.28Å; L114-Q140 HydrophobicContact CD1-CB 4.44Å; L114-Q140 HydrophobicContact CD1-CG 4.42Å; L114-Q140 HydrophobicContact CD2-CB 4.26Å; L114-Q140 HydrophobicContact CD2-CG 3.61Å; L114-F141 HydrophobicContact CD1-CB 3.63Å; L114-F141 HydrophobicContact CD1-CD2 3.93Å; L114-F141 HydrophobicContact CD1-CG 4.28Å
115R93.6Very high89.8Confident131 Ų13148.3 Ų48.349%0.49425%0.253SS..Hα-helixtrans-60.1-42174.3-78.2177.7171.1174-2.6111.6L111 A112 A118 R119 I137L111-R115 PolarHBondContact O-N 2.75Å; A112-R115 PolarHBondContact O-N 2.82Å; R115-A118 PolarHBondContact O-N 3.44Å; R115-R119 PolarHBondContact O-N 3.06Å; R115-I137 HydrophobicContact CG-CD1 3.92Å
116H87.8Confident87.8Confident31 Ų3148.4 Ų48.414%0.14426%0.259CS..Hα-helixtrans-62.3-50.2176175.475.9000111.7D19 A112 S113 L114 A118 R119 R120D19-H116 IonicContact OD1-CE1 3.12Å; D19-H116 PolarHBondContact OD1-CE1 3.14Å; D19-H116 IonicContact OD1-NE2 3.98Å; D19-H116 PolarHBondContact OD1-NE2 3.24Å; D19-H116 IonicContact OD2-CD2 3.53Å; D19-H116 IonicContact OD2-CE1 3.03Å; D19-H116 IonicContact OD2-NE2 2.85Å; D19-H116 PolarHBondContact OD2-NE2 3.27Å; D19-H116 VanDerWaalsContact OD2-NE2 3.12Å; A112-H116 WeakPolarHBondContact O-CB 3.42Å; A112-H116 PolarHBondContact O-N 3.17Å; S113-H116 PolarHBondContact O-N 2.9Å; L114-H116 VanDerWaalsContact C-N 3.28Å; L114-H116 PolarHBondContact O-N 2.94Å; H116-A118 VanDerWaalsContact C-N 3.26Å; H116-A118 PolarHBondContact O-N 3.32Å; H116-R119 PolarHBondContact ND1-NH2 2.99Å; H116-R119 PolarHBondContact O-N 3.1Å; H116-R120 WeakPolarHBondContact NE2-CD 3.38Å; H116-R120 PolarHBondContact O-N 3.44Å
117L91Very high85.6Confident7 Ų753.4 Ų53.44%0.03729%0.291CS..Hα-helixtrans-62.1-32176.7-70.9171.5000113.1E95 F96 R99 S113 L114 S121E95-L117 HydrophobicContact CB-CD2 4.11Å; E95-L117 VanDerWaalsContact CD-CD2 3.43Å; E95-L117 HydrophobicContact CG-CD1 4.12Å; E95-L117 HydrophobicContact CG-CD2 3.67Å; F96-L117 HydrophobicContact CB-CB 4.09Å; F96-L117 HydrophobicContact CD2-CB 3.8Å; F96-L117 HydrophobicContact CG-CB 4.46Å; R99-L117 HydrophobicContact CB-CD1 3.78Å; R99-L117 HydrophobicContact CG-CD1 3.8Å; S113-L117 WeakPolarHBondContact O-CG 3.42Å; S113-L117 PolarHBondContact O-N 2.9Å; L114-L117 PolarHBondContact O-N 3.39Å; L117-S121 VanDerWaalsContact O-CB 3.25Å; L117-S121 WeakPolarHBondContact O-CB 3.3Å; L117-S121 PolarHBondContact O-N 3.1Å; L117-S121 PolarHBondContact O-OG 2.77Å
118A91.5Very high83.4Confident2 Ų259.5 Ų59.52%0.01733%0.329CS..Hα-helixtrans-64.9-41.417600000112.5F96 L114 R115 H116 S121 Q122 F123 I137F96-A118 HydrophobicContact CD2-CB 4.33Å; F96-A118 HydrophobicContact CE2-CB 3.98Å; L114-A118 VanDerWaalsContact O-CB 3.32Å; L114-A118 WeakPolarHBondContact O-CB 3.28Å; L114-A118 PolarHBondContact O-N 2.84Å; R115-A118 PolarHBondContact O-N 3.44Å; H116-A118 VanDerWaalsContact C-N 3.26Å; H116-A118 PolarHBondContact O-N 3.32Å; A118-S121 WeakPolarHBondContact O-CB 3.48Å; A118-S121 PolarHBondContact O-N 2.87Å; A118-Q122 PolarHBondContact O-N 2.98Å; A118-F123 HydrophobicContact CB-CD2 3.82Å; A118-F123 HydrophobicContact CB-CE2 4.37Å; A118-F123 PolarHBondContact O-N 3.28Å; A118-I137 HydrophobicContact CB-CD1 3.8Å; A118-I137 HydrophobicContact CB-CG1 3.85Å
119R86.5Confident81.2Confident134 Ų13458.6 Ų58.651%0.50632%0.321SS..Hα-helixtrans-61.4-49.7174.2-71.3-172.7-67.3157.1-1.6111.3R115 H116 S121 Q122R115-R119 PolarHBondContact O-N 3.06Å; H116-R119 PolarHBondContact ND1-NH2 2.99Å; H116-R119 PolarHBondContact O-N 3.1Å; R119-S121 PolarHBondContact O-N 2.82Å; R119-Q122 WeakPolarHBondContact O-CA 3.43Å; R119-Q122 PolarHBondContact O-N 2.9Å
120R84.2Confident79.2Confident63 Ų6360.1 Ų60.124%0.23833%0.333CS..Hα-helixtrans-61.2-30.8176.2-71-178.261.2172.7-2.5113.2D19 D84 A92 H116 Q122D19-R120 IonicContact OD1-CZ 3.62Å; D19-R120 IonicContact OD1-NH1 3.85Å; D19-R120 PolarHBondContact OD1-NH1 2.95Å; D19-R120 IonicContact OD2-NH1 2.92Å; D84-R120 IonicContact OD2-NH2 3.46Å; A92-R120 HydrophobicContact CB-CB 3.97Å; H116-R120 WeakPolarHBondContact NE2-CD 3.38Å; H116-R120 PolarHBondContact O-N 3.44Å; R120-Q122 PolarHBondContact O-N 3.02Å
121S88.8Confident77.8Confident0 Ų065.2 Ų65.20%036%0.361CS..THydrogen-bonded Turntrans-75.9-3.1175.2-62.80000114A92 R93 L117 A118 R119 F123A92-S121 VanDerWaalsContact C-OG 3.29Å; A92-S121 PolarHBondContact O-OG 2.8Å; R93-S121 WeakPolarHBondContact CA-OG 3.36Å; R93-S121 PolarHBondContact N-OG 2.98Å; R93-S121 PolarHBondContact NE-O 2.83Å; L117-S121 VanDerWaalsContact O-CB 3.25Å; L117-S121 WeakPolarHBondContact O-CB 3.3Å; L117-S121 PolarHBondContact O-N 3.1Å; L117-S121 PolarHBondContact O-OG 2.77Å; A118-S121 WeakPolarHBondContact O-CB 3.48Å; A118-S121 PolarHBondContact O-N 2.87Å; R119-S121 PolarHBondContact O-N 2.82Å; S121-F123 VanDerWaalsContact C-N 3.25Å; S121-F123 VanDerWaalsContact CB-CE2 3.46Å; S121-F123 PolarHBondContact O-N 2.92Å
122Q84.1Confident76.8Confident106 Ų10668.3 Ų68.350%0.49538%0.375SS..THydrogen-bonded Turntrans49.343.2-177.3-60.5-178.28.900112.8I89 A118 R119 R120 E124I89-Q122 HydrophobicContact CG1-CG 4.44Å; A118-Q122 PolarHBondContact O-N 2.98Å; R119-Q122 WeakPolarHBondContact O-CA 3.43Å; R119-Q122 PolarHBondContact O-N 2.9Å; R120-Q122 PolarHBondContact O-N 3.02Å; Q122-E124 PolarHBondContact O-N 3.45Å
123F82.8Confident76.4Confident13 Ų1366 Ų666%0.05736%0.356CS..THydrogen-bonded Turntrans-68.3-13.9175.4-65.5-44.5000113R93 F96 Y97 A118 S121 A133 R136R93-F123 HydrophobicContact CG-CE1 3.87Å; R93-F123 HydrophobicContact CG-CZ 3.94Å; F96-F123 AromaticContact CD1-CE2 3.72Å; F96-F123 HydrophobicContact CD1-CE2 3.72Å; F96-F123 AromaticContact CD1-CZ 3.93Å; F96-F123 HydrophobicContact CD1-CZ 3.93Å; F96-F123 AromaticContact CD2-CE2 3.97Å; F96-F123 HydrophobicContact CD2-CE2 3.97Å; F96-F123 AromaticContact CE1-CE2 3.84Å; F96-F123 HydrophobicContact CE1-CE2 3.84Å; F96-F123 HydrophobicContact CE1-CZ 4.26Å; F96-F123 HydrophobicContact CE2-CE2 4.08Å; F96-F123 AromaticContact CG-CE2 3.8Å; F96-F123 HydrophobicContact CG-CE2 3.8Å; F96-F123 HydrophobicContact CG-CZ 4.26Å; F96-F123 HydrophobicContact CZ-CE2 4.01Å; Y97-F123 HydrophobicContact CE2-CZ 4.34Å; A118-F123 HydrophobicContact CB-CD2 3.82Å; A118-F123 HydrophobicContact CB-CE2 4.37Å; A118-F123 PolarHBondContact O-N 3.28Å; S121-F123 VanDerWaalsContact C-N 3.25Å; S121-F123 VanDerWaalsContact CB-CE2 3.46Å; S121-F123 PolarHBondContact O-N 2.92Å; F123-A133 HydrophobicContact CB-CB 3.99Å; F123-R136 HydrophobicContact CD2-CB 4.28Å; F123-R136 HydrophobicContact CD2-CG 4.47Å; F123-R136 HydrophobicContact CE2-CB 4.24Å
124E70.6Confident76.2Confident125 Ų12567.7 Ų67.758%0.58436%0.362SS*.THydrogen-bonded Turntrans-85.7-5.3-178.1-62.9174-178.500114Q122 A126 A133Q122-E124 PolarHBondContact O-N 3.45Å; E124-A126 PolarHBondContact O-N 2.99Å; E124-A133 HydrophobicContact CG-CB 4.23Å
125A59.1Low76Confident84 Ų8471.3 Ų71.369%0.69438%0.381SS*.  trans-68.87.6-169.500000115.9
126A54.9Low76Confident35 Ų3569 Ų6929%0.28937%0.372SS..SBendtrans-110.3116.4174.800000110.7E124 T128 V129E124-A126 PolarHBondContact O-N 2.99Å; A126-T128 PolarHBondContact O-N 2.83Å; A126-V129 HydrophobicContact CB-CB 4.22Å; A126-V129 HydrophobicContact CB-CG2 3.6Å; A126-V129 PolarHBondContact O-N 2.91Å; A126-V129 VanDerWaalsContact O-N 3.12Å
127P50.1Low76.4Confident140 Ų14067.7 Ų67.791%0.90937%0.367SS*.THydrogen-bonded Turntrans-59-13.3-170.3-25.332.1000117.2
128T52.4Low76.6Confident135 Ų13568.2 Ų68.283%0.82837%0.369SS*.THydrogen-bonded Turntrans-109.56.9-176.515.60000113.6A126A126-T128 PolarHBondContact O-N 2.83Å
129V50Low76.8Confident34 Ų3472 Ų7221%0.20639%0.389CS..  trans-136.250.7-161-142.10000113.1A126 D131 E132A126-V129 HydrophobicContact CB-CB 4.22Å; A126-V129 HydrophobicContact CB-CG2 3.6Å; A126-V129 PolarHBondContact O-N 2.91Å; A126-V129 VanDerWaalsContact O-N 3.12Å; V129-D131 PolarHBondContact O-N 3.29Å; V129-E132 HydrophobicContact CB-CB 3.99Å; V129-E132 HydrophobicContact CB-CG 4.29Å; V129-E132 HydrophobicContact CG1-CB 3.42Å; V129-E132 VanDerWaalsContact CG1-CB 3.42Å; V129-E132 HydrophobicContact CG1-CG 3.39Å; V129-E132 PolarHBondContact O-N 2.86Å
130T54.2Low77.3Confident124 Ų12466.1 Ų66.176%0.76137%0.368SS*.Hα-helixtrans-51-24.3161.442.80000111.9
131D69.4Low78Confident107 Ų10763.1 Ų63.157%0.57236%0.356SS*.Hα-helixtrans-75.1-20.8176.8-68.6-12.1000114.5V129 D134 L135V129-D131 PolarHBondContact O-N 3.29Å; D131-D134 PolarHBondContact O-N 2.97Å; D131-L135 WeakPolarHBondContact O-CB 3.31Å; D131-L135 WeakPolarHBondContact O-CG 3.31Å; D131-L135 PolarHBondContact O-N 3.31Å
132E76.6Confident78.4Confident73 Ų7364 Ų6434%0.34136%0.361SS..Hα-helixtrans-71.5-45-172.8-114.2-179.8-143.300111.5V129 D134 L135 R136V129-E132 HydrophobicContact CB-CB 3.99Å; V129-E132 HydrophobicContact CB-CG 4.29Å; V129-E132 HydrophobicContact CG1-CB 3.42Å; V129-E132 VanDerWaalsContact CG1-CB 3.42Å; V129-E132 HydrophobicContact CG1-CG 3.39Å; V129-E132 PolarHBondContact O-N 2.86Å; E132-D134 VanDerWaalsContact C-N 3.32Å; E132-D134 PolarHBondContact O-N 2.89Å; E132-L135 PolarHBondContact O-N 3.34Å; E132-R136 VanDerWaalsContact O-CG 3.29Å; E132-R136 WeakPolarHBondContact O-CG 3.21Å; E132-R136 PolarHBondContact O-N 3.4Å
133A86.8Confident79Confident6 Ų663.8 Ų63.85%0.0536%0.362CS..Hα-helixtrans-58.6-46.7173.800000110.5F123 E124 L135 R136 I137F123-A133 HydrophobicContact CB-CB 3.99Å; E124-A133 HydrophobicContact CG-CB 4.23Å; A133-L135 PolarHBondContact O-N 2.99Å; A133-R136 PolarHBondContact O-N 3.36Å; A133-I137 WeakPolarHBondContact O-CB 3.35Å; A133-I137 WeakPolarHBondContact O-CD1 3.28Å; A133-I137 WeakPolarHBondContact O-CG1 3.3Å; A133-I137 PolarHBondContact O-N 3.15Å
134D90.3Very high79.8Confident71 Ų7163.4 Ų63.438%0.3836%0.362SS..Hα-helixtrans-63.6-38.5179.1-94.96.4000112.8D131 E132 I137 L138 L162D131-D134 PolarHBondContact O-N 2.97Å; E132-D134 VanDerWaalsContact C-N 3.32Å; E132-D134 PolarHBondContact O-N 2.89Å; D134-I137 PolarHBondContact O-N 3.19Å; D134-L138 WeakPolarHBondContact O-CB 3.46Å; D134-L138 PolarHBondContact O-N 3.27Å; D134-L162 HydrophobicContact CB-CD2 4.27Å; D134-L162 WeakPolarHBondContact OD1-CD2 3.33Å
135L90.9Very high81Confident77 Ų7757.6 Ų57.640%0.40334%0.335SS..Hα-helixtrans-64.9-44.7174-73.3171.7000111.7D131 E132 A133 L138 D139D131-L135 WeakPolarHBondContact O-CB 3.31Å; D131-L135 WeakPolarHBondContact O-CG 3.31Å; D131-L135 PolarHBondContact O-N 3.31Å; E132-L135 PolarHBondContact O-N 3.34Å; A133-L135 PolarHBondContact O-N 2.99Å; L135-L138 WeakPolarHBondContact O-CB 3.19Å; L135-L138 PolarHBondContact O-N 3.44Å; L135-D139 PolarHBondContact O-N 3.19Å
136R93.5Very high82.8Confident81 Ų8156.4 Ų56.431%0.30633%0.325SS..Hα-helixtrans-63.5-43.2175.9-64.9-61.3-172.6-86.9-12.5111.2F96 Y97 F123 E132 A133 L138 D139 Q140F96-R136 HydrophobicContact CE1-CB 3.99Å; F96-R136 HydrophobicContact CZ-CB 3.95Å; F96-R136 WeakPolarHBondContact CZ-O 3.25Å; Y97-R136 WeakPolarHBondContact OH-CD 3.27Å; Y97-R136 PolarHBondContact OH-NE 3.05Å; F123-R136 HydrophobicContact CD2-CB 4.28Å; F123-R136 HydrophobicContact CD2-CG 4.47Å; F123-R136 HydrophobicContact CE2-CB 4.24Å; E132-R136 VanDerWaalsContact O-CG 3.29Å; E132-R136 WeakPolarHBondContact O-CG 3.21Å; E132-R136 PolarHBondContact O-N 3.4Å; A133-R136 PolarHBondContact O-N 3.36Å; R136-L138 VanDerWaalsContact C-N 3.33Å; R136-D139 PolarHBondContact O-N 3.09Å; R136-Q140 WeakPolarHBondContact O-CB 3.09Å; R136-Q140 PolarHBondContact O-N 2.83Å
137I95.9Very high84.8Confident5 Ų556.5 Ų56.53%0.02632%0.32CS..Hα-helixtrans-61.5-44.8176.4-68.7161.2000109.6F96 L111 L114 R115 A118 A133 D134 Q140 F141 L162F96-I137 HydrophobicContact CE2-CG1 4.08Å; F96-I137 HydrophobicContact CZ-CG1 4.27Å; L111-I137 HydrophobicContact CD1-CG2 3.61Å; L114-I137 HydrophobicContact CB-CG2 4.28Å; R115-I137 HydrophobicContact CG-CD1 3.92Å; A118-I137 HydrophobicContact CB-CD1 3.8Å; A118-I137 HydrophobicContact CB-CG1 3.85Å; A133-I137 WeakPolarHBondContact O-CB 3.35Å; A133-I137 WeakPolarHBondContact O-CD1 3.28Å; A133-I137 WeakPolarHBondContact O-CG1 3.3Å; A133-I137 PolarHBondContact O-N 3.15Å; D134-I137 PolarHBondContact O-N 3.19Å; I137-Q140 PolarHBondContact O-N 2.95Å; I137-F141 WeakPolarHBondContact O-CB 3.13Å; I137-F141 PolarHBondContact O-N 3.03Å; I137-L162 HydrophobicContact CB-CD2 4.23Å; I137-L162 HydrophobicContact CG2-CD1 3.88Å; I137-L162 HydrophobicContact CG2-CD2 3.8Å
138L96Very high86.9Confident18 Ų1852.6 Ų52.69%0.09429%0.294CS..Hα-helixtrans-57.3-52177.2-174.1163.9000111.3D134 L135 R136 Q140 F141 L142 I160 L162 L165D134-L138 WeakPolarHBondContact O-CB 3.46Å; D134-L138 PolarHBondContact O-N 3.27Å; L135-L138 WeakPolarHBondContact O-CB 3.19Å; L135-L138 PolarHBondContact O-N 3.44Å; R136-L138 VanDerWaalsContact C-N 3.33Å; L138-Q140 PolarHBondContact O-N 2.87Å; L138-F141 PolarHBondContact O-N 3.05Å; L138-L142 VanDerWaalsContact O-CB 3.27Å; L138-L142 WeakPolarHBondContact O-CB 3.27Å; L138-L142 PolarHBondContact O-N 3.29Å; L138-I160 VanDerWaalsContact CD1-O 3.27Å; L138-I160 WeakPolarHBondContact CD1-O 3.37Å; L138-L162 HydrophobicContact CB-CB 4.4Å; L138-L162 HydrophobicContact CB-CD1 4.18Å; L138-L162 HydrophobicContact CD1-CB 4.42Å; L138-L165 HydrophobicContact CD2-CD2 4.12Å; L138-L165 HydrophobicContact CG-CD2 3.9Å
139D95.8Very high88.9Confident82 Ų8254.1 Ų54.144%0.43929%0.289SS..Hα-helixtrans-60.2-48.6-179.5-74.4-20.1000111.2L135 R136 L142 I143L135-D139 PolarHBondContact O-N 3.19Å; R136-D139 PolarHBondContact O-N 3.09Å; D139-L142 PolarHBondContact O-N 3.36Å; D139-I143 WeakPolarHBondContact O-CB 3.34Å; D139-I143 VanDerWaalsContact O-CG1 3.24Å; D139-I143 WeakPolarHBondContact O-CG1 3.34Å; D139-I143 PolarHBondContact O-N 3.29Å
140Q97.7Very high91.1Very high10 Ų1052.8 Ų52.85%0.04728%0.281CS..Hα-helixtrans-69-37.4-178-170.561.122.400112.2F96 Y97 R99 L114 R136 I137 L138 G144F96-Q140 HydrophobicContact CD1-CG 4.48Å; F96-Q140 HydrophobicContact CE1-CB 3.72Å; F96-Q140 HydrophobicContact CE1-CG 4.12Å; F96-Q140 HydrophobicContact CZ-CB 3.75Å; F96-Q140 HydrophobicContact CZ-CG 4.29Å; F96-Q140 WeakPolarHBondContact O-CG 3.46Å; F96-Q140 PolarHBondContact O-NE2 2.78Å; Y97-Q140 PolarHBondContact O-NE2 3.35Å; Y97-Q140 PolarHBondContact O-OE1 3.35Å; R99-Q140 PolarHBondContact O-NE2 3.48Å; L114-Q140 HydrophobicContact CD1-CB 4.44Å; L114-Q140 HydrophobicContact CD1-CG 4.42Å; L114-Q140 HydrophobicContact CD2-CB 4.26Å; L114-Q140 HydrophobicContact CD2-CG 3.61Å; R136-Q140 WeakPolarHBondContact O-CB 3.09Å; R136-Q140 PolarHBondContact O-N 2.83Å; I137-Q140 PolarHBondContact O-N 2.95Å; L138-Q140 PolarHBondContact O-N 2.87Å; Q140-G144 VanDerWaalsContact O-CA 3.31Å; Q140-G144 WeakPolarHBondContact O-CA 3.33Å; Q140-G144 PolarHBondContact O-N 3.02Å
141F98.3Very high93.1Very high0 Ų049.7 Ų49.70%026%0.255CS..Hα-helixtrans-65.4-45.2175.1-174-100.1000110.8V107 F110 L111 L114 I137 L138 G144 M145 L165 Y166 A169V107-F141 HydrophobicContact CG1-CE2 4.43Å; V107-F141 HydrophobicContact CG1-CZ 3.85Å; F110-F141 AromaticContact CD1-CD2 3.46Å; F110-F141 HydrophobicContact CD1-CD2 3.46Å; F110-F141 VanDerWaalsContact CD1-CD2 3.46Å; F110-F141 AromaticContact CD1-CE2 3.5Å; F110-F141 HydrophobicContact CD1-CE2 3.5Å; F110-F141 HydrophobicContact CD1-CG 4.5Å; F110-F141 HydrophobicContact CE1-CB 4.49Å; F110-F141 AromaticContact CE1-CD2 3.49Å; F110-F141 HydrophobicContact CE1-CD2 3.49Å; F110-F141 VanDerWaalsContact CE1-CD2 3.49Å; F110-F141 AromaticContact CE1-CE2 3.97Å; F110-F141 HydrophobicContact CE1-CE2 3.97Å; F110-F141 HydrophobicContact CE1-CG 4.15Å; F110-F141 HydrophobicContact CG-CD2 4.3Å; F110-F141 HydrophobicContact CG-CE2 4.34Å; F110-F141 HydrophobicContact CZ-CD2 4.35Å; L111-F141 HydrophobicContact CB-CD2 4.19Å; L111-F141 HydrophobicContact CB-CE2 3.84Å; L111-F141 HydrophobicContact CD1-CD2 4.12Å; L111-F141 HydrophobicContact CD1-CE2 4.44Å; L114-F141 HydrophobicContact CD1-CB 3.63Å; L114-F141 HydrophobicContact CD1-CD2 3.93Å; L114-F141 HydrophobicContact CD1-CG 4.28Å; I137-F141 WeakPolarHBondContact O-CB 3.13Å; I137-F141 PolarHBondContact O-N 3.03Å; L138-F141 PolarHBondContact O-N 3.05Å; F141-G144 PolarHBondContact O-N 2.96Å; F141-M145 WeakPolarHBondContact O-CB 3.34Å; F141-M145 PolarHBondContact O-N 2.84Å; F141-L165 HydrophobicContact CD1-CD1 4.49Å; F141-L165 HydrophobicContact CD1-CD2 3.67Å; F141-L165 HydrophobicContact CD1-CG 3.69Å; F141-L165 HydrophobicContact CE1-CD2 4.43Å; F141-L165 HydrophobicContact CE1-CG 3.95Å; F141-Y166 HydrophobicContact CZ-CD2 4.07Å; F141-A169 HydrophobicContact CE1-CB 3.86Å; F141-A169 HydrophobicContact CZ-CB 3.86Å
142L97.8Very high94.4Very high18 Ų1851.7 Ų51.79%0.09426%0.255CS..Hα-helixtrans-61-48.5176.3178.858.1000111.6L138 D139 G144 M145 R151 I154 L155 L165L138-L142 VanDerWaalsContact O-CB 3.27Å; L138-L142 WeakPolarHBondContact O-CB 3.27Å; L138-L142 PolarHBondContact O-N 3.29Å; D139-L142 PolarHBondContact O-N 3.36Å; L142-G144 VanDerWaalsContact C-N 3.33Å; L142-M145 HydrophobicContact CD1-SD 4.38Å; L142-M145 WeakPolarHBondContact O-CG 3.43Å; L142-R151 HydrophobicContact CD1-CG 4.06Å; L142-R151 WeakPolarHBondContact O-CD 3.44Å; L142-R151 WeakPolarHBondContact O-CG 3.46Å; L142-I154 HydrophobicContact CD1-CB 3.96Å; L142-I154 HydrophobicContact CD1-CG2 3.83Å; L142-I154 HydrophobicContact CD2-CG2 4.34Å; L142-L155 HydrophobicContact CD2-CD2 3.88Å; L142-L155 HydrophobicContact CG-CD2 4.41Å; L142-L165 HydrophobicContact CB-CD2 3.82Å; L142-L165 HydrophobicContact CD1-CD1 3.97Å
143I96.9Very high95.3Very high101 Ų10155 Ų5552%0.51826%0.264SS..Hα-helixtrans-71.8-33.4-178.5-63.5166.8000110.5D139D139-I143 WeakPolarHBondContact O-CB 3.34Å; D139-I143 VanDerWaalsContact O-CG1 3.24Å; D139-I143 WeakPolarHBondContact O-CG1 3.34Å; D139-I143 PolarHBondContact O-N 3.29Å
144G97.7Very high95.7Very high5 Ų555.9 Ų55.95%0.05227%0.268CS..Hα-helixtrans-92.8-12.1-17100000117.4Q101 Q140 F141 L142Q101-G144 PolarHBondContact N-O 2.95Å; Q140-G144 VanDerWaalsContact O-CA 3.31Å; Q140-G144 WeakPolarHBondContact O-CA 3.33Å; Q140-G144 PolarHBondContact O-N 3.02Å; F141-G144 PolarHBondContact O-N 2.96Å; L142-G144 VanDerWaalsContact C-N 3.33Å
145M97.8Very high95.9Very high4 Ų458 Ų582%0.0228%0.278CS..  trans-61.9149.2-179.466.7-170.3-56.500113.3F110 F141 L142 D147 T150 R151 A169F110-M145 HydrophobicContact CE1-CB 4.33Å; F141-M145 WeakPolarHBondContact O-CB 3.34Å; F141-M145 PolarHBondContact O-N 2.84Å; L142-M145 HydrophobicContact CD1-SD 4.38Å; L142-M145 WeakPolarHBondContact O-CG 3.43Å; M145-D147 HydrophobicContact CE-CB 4.12Å; M145-T150 HydrophobicContact CE-CG2 3.69Å; M145-R151 HydrophobicContact CG-CB 4.02Å; M145-R151 PolarHBondContact O-NH1 2.79Å; M145-R151 HydrophobicContact SD-CB 3.77Å; M145-A169 HydrophobicContact CE-CB 3.75Å
146A96.6Very high96Very high59 Ų5964.6 Ų64.649%0.48830%0.298SS..SBendtrans-75.1-35.1178.300000112.1Q101 T148Q101-A146 HydrophobicContact CB-CB 4.21Å; Q101-A146 HydrophobicContact CG-CB 4.1Å; A146-T148 WeakPolarHBondContact O-CG2 3.24Å; A146-T148 PolarHBondContact O-N 3.49Å
147D95.8Very high95.8Very high37 Ų3763.2 Ų63.220%0.19831%0.309CS..  trans-71.293.5-179.2179.80.1000111.9M145 K149 T150 R151M145-D147 HydrophobicContact CE-CB 4.12Å; D147-K149 PolarHBondContact O-N 3.34Å; D147-K149 WeakPolarHBondContact OD1-CA 3.44Å; D147-K149 WeakPolarHBondContact OD1-CB 3.04Å; D147-K149 PolarHBondContact OD1-N 3.06Å; D147-T150 PolarHBondContact OD1-N 3.29Å; D147-T150 WeakPolarHBondContact OD2-CB 3.49Å; D147-T150 PolarHBondContact OD2-OG1 3.31Å; D147-R151 WeakPolarHBondContact O-CB 3.46Å; D147-R151 PolarHBondContact O-N 3.42Å
148T95.4Very high95.5Very high57 Ų5772.5 Ų72.535%0.3535%0.349SS..Hα-helixtrans-68.3-20.4179.375.10000113.8A146 R152A146-T148 WeakPolarHBondContact O-CG2 3.24Å; A146-T148 PolarHBondContact O-N 3.49Å; T148-R152 VanDerWaalsContact O-CB 3.32Å; T148-R152 WeakPolarHBondContact O-CB 3.43Å; T148-R152 VanDerWaalsContact O-CG 3.27Å; T148-R152 WeakPolarHBondContact O-CG 3.4Å; T148-R152 PolarHBondContact O-N 2.79Å; T148-R152 PolarHBondContact O-NE 2.75Å; T148-R152 PolarHBondContact OG1-NH2 3.39Å
149K94Very high95.3Very high168 Ų16881.1 Ų81.173%0.7339%0.386SS*.Hα-helixtrans-79.1-48179.4-176.1-176.2177.3-173.20109.4D147 R152 R153D147-K149 PolarHBondContact O-N 3.34Å; D147-K149 WeakPolarHBondContact OD1-CA 3.44Å; D147-K149 WeakPolarHBondContact OD1-CB 3.04Å; D147-K149 PolarHBondContact OD1-N 3.06Å; K149-R152 PolarHBondContact O-N 3.37Å; K149-R153 PolarHBondContact O-N 2.61Å
150T95.7Very high95.2Very high5 Ų578.9 Ų78.93%0.03137%0.374CS..Hα-helixtrans-61.8-47.5173.4-67.70000111M145 D147 R152 R153 I154 A168M145-T150 HydrophobicContact CE-CG2 3.69Å; D147-T150 PolarHBondContact OD1-N 3.29Å; D147-T150 WeakPolarHBondContact OD2-CB 3.49Å; D147-T150 PolarHBondContact OD2-OG1 3.31Å; T150-R152 VanDerWaalsContact C-N 3.33Å; T150-R152 PolarHBondContact O-N 2.77Å; T150-R153 WeakPolarHBondContact O-CB 3.32Å; T150-R153 PolarHBondContact O-N 2.89Å; T150-R153 PolarHBondContact OG1-NH2 2.95Å; T150-I154 HydrophobicContact CG2-CG1 4.22Å; T150-I154 WeakPolarHBondContact O-CG1 3.27Å; T150-I154 PolarHBondContact O-N 3.33Å; T150-A168 HydrophobicContact CG2-CB 4.12Å
151R96.9Very high95.1Very high60 Ų6080.9 Ų80.923%0.22639%0.388CS..Hα-helixtrans-52.5-49.1174.9-179.6171.160.9-118.33.8112.5L142 M145 D147 R153 I154 L155L142-R151 HydrophobicContact CD1-CG 4.06Å; L142-R151 WeakPolarHBondContact O-CD 3.44Å; L142-R151 WeakPolarHBondContact O-CG 3.46Å; M145-R151 HydrophobicContact CG-CB 4.02Å; M145-R151 PolarHBondContact O-NH1 2.79Å; M145-R151 HydrophobicContact SD-CB 3.77Å; D147-R151 WeakPolarHBondContact O-CB 3.46Å; D147-R151 PolarHBondContact O-N 3.42Å; R151-R153 VanDerWaalsContact C-N 3.28Å; R151-R153 PolarHBondContact O-N 2.75Å; R151-I154 PolarHBondContact O-N 2.84Å; R151-L155 HydrophobicContact CG-CD1 3.8Å; R151-L155 HydrophobicContact CG-CG 4.31Å; R151-L155 WeakPolarHBondContact O-CG 3.35Å; R151-L155 PolarHBondContact O-N 2.98Å
152R96Very high94.9Very high149 Ų14981.5 Ų81.556%0.56239%0.392SS*.Hα-helixtrans-62.9-32.4179.1-85-179.6-93.7-179.5-12.5113.4T148 K149 T150 R156T148-R152 VanDerWaalsContact O-CB 3.32Å; T148-R152 WeakPolarHBondContact O-CB 3.43Å; T148-R152 VanDerWaalsContact O-CG 3.27Å; T148-R152 WeakPolarHBondContact O-CG 3.4Å; T148-R152 PolarHBondContact O-N 2.79Å; T148-R152 PolarHBondContact O-NE 2.75Å; T148-R152 PolarHBondContact OG1-NH2 3.39Å; K149-R152 PolarHBondContact O-N 3.37Å; T150-R152 VanDerWaalsContact C-N 3.33Å; T150-R152 PolarHBondContact O-N 2.77Å; R152-R156 WeakPolarHBondContact O-CG 3.42Å
153R94.7Very high94.8Very high142 Ų14288.2 Ų88.254%0.53642%0.42SS..Hα-helixtrans-69.2-48.4175.1178.3-179.862.7-167.8-4.3110.5K149 T150 R151 R156K149-R153 PolarHBondContact O-N 2.61Å; T150-R153 WeakPolarHBondContact O-CB 3.32Å; T150-R153 PolarHBondContact O-N 2.89Å; T150-R153 PolarHBondContact OG1-NH2 2.95Å; R151-R153 VanDerWaalsContact C-N 3.28Å; R151-R153 PolarHBondContact O-N 2.75Å; R153-R156 PolarHBondContact O-N 2.92Å
154I95.9Very high94.8Very high25 Ų2588.4 Ų88.413%0.12842%0.419CS..Hα-helixtrans-63.7-43.5-179.2-60.7-50.8000111.5L142 T150 R151 R156 G157 I160 L165 A168L142-I154 HydrophobicContact CD1-CB 3.96Å; L142-I154 HydrophobicContact CD1-CG2 3.83Å; L142-I154 HydrophobicContact CD2-CG2 4.34Å; T150-I154 HydrophobicContact CG2-CG1 4.22Å; T150-I154 WeakPolarHBondContact O-CG1 3.27Å; T150-I154 PolarHBondContact O-N 3.33Å; R151-I154 PolarHBondContact O-N 2.84Å; I154-R156 PolarHBondContact O-N 2.88Å; I154-G157 PolarHBondContact O-N 3.43Å; I154-I160 HydrophobicContact CD1-CD1 3.75Å; I154-I160 HydrophobicContact CG2-CD1 4.3Å; I154-I160 HydrophobicContact CG2-CG2 3.97Å; I154-L165 HydrophobicContact CG1-CD1 4.06Å; I154-L165 HydrophobicContact CG2-CD1 4.25Å; I154-A168 HydrophobicContact CD1-CB 4.15Å
155L93.7Very high94.8Very high114 Ų11488.2 Ų88.260%0.59742%0.416SS*.THydrogen-bonded Turntrans-61.8-14.3179.1-73.1171.4000114.9L142 R151L142-L155 HydrophobicContact CD2-CD2 3.88Å; L142-L155 HydrophobicContact CG-CD2 4.41Å; R151-L155 HydrophobicContact CG-CD1 3.8Å; R151-L155 HydrophobicContact CG-CG 4.31Å; R151-L155 WeakPolarHBondContact O-CG 3.35Å; R151-L155 PolarHBondContact O-N 2.98Å
156R93.8Very high94.8Very high217 Ų21790.5 Ų90.582%0.81943%0.425SS*.THydrogen-bonded Turntrans-97.7-9.9175.1-65.6174.3-170.9-117.8-1112.9R152 R153 I154R152-R156 WeakPolarHBondContact O-CG 3.42Å; R153-R156 PolarHBondContact O-N 2.92Å; I154-R156 PolarHBondContact O-N 2.88Å
157G89.6Confident94.9Very high52 Ų5291.6 Ų91.654%0.53642%0.423SS..SBendtrans-85.1-173.1-175.700000113I154I154-G157 PolarHBondContact O-N 3.43Å
158K89.7Confident95Very high200 Ų20090.6 Ų90.687%0.8742%0.42SS*.SBendtrans-78.1176169.4-61.9-177179.5-177.10110.3I160K158-I160 PolarHBondContact O-N 3.39Å
159K90.6Very high95.1Very high199 Ų19988 Ų8887%0.86540%0.404SS*.  trans-48.4137.2168.7-173.7178.8179.9-177.70109.8
160I94.6Very high95.3Very high35 Ų3582.7 Ų82.718%0.17938%0.383CS..  trans-127.6151.2-178.1-167.2165.7000108.7L138 I154 K158 E164 L165L138-I160 VanDerWaalsContact CD1-O 3.27Å; L138-I160 WeakPolarHBondContact CD1-O 3.37Å; I154-I160 HydrophobicContact CD1-CD1 3.75Å; I154-I160 HydrophobicContact CG2-CD1 4.3Å; I154-I160 HydrophobicContact CG2-CG2 3.97Å; K158-I160 PolarHBondContact O-N 3.39Å; I160-E164 HydrophobicContact CD1-CB 3.75Å; I160-E164 HydrophobicContact CG1-CB 3.38Å; I160-E164 HydrophobicContact CG1-CG 4.41Å; I160-L165 HydrophobicContact CD1-CB 4.21Å; I160-L165 HydrophobicContact CG1-CB 4.47Å; I160-L165 HydrophobicContact CG2-CB 4.4Å
161S94.7Very high95.4Very high51 Ų5185.3 Ų85.336%0.35741%0.405SS..  trans-84.2161.5170.464.50000111.7K163 E164 L165S161-K163 PolarHBondContact O-N 3.48Å; S161-E164 WeakPolarHBondContact CB-OE2 3.17Å; S161-E164 PolarHBondContact N-OE2 2.84Å; S161-E164 PolarHBondContact O-N 3.41Å; S161-E164 WeakPolarHBondContact OG-CB 3.43Å; S161-E164 VanDerWaalsContact OG-CD 3.25Å; S161-E164 WeakPolarHBondContact OG-CG 3.2Å; S161-E164 PolarHBondContact OG-N 2.56Å; S161-E164 PolarHBondContact OG-OE2 3.33Å; S161-L165 WeakPolarHBondContact O-CB 3.06Å; S161-L165 PolarHBondContact O-N 2.78Å
162L95.1Very high95.3Very high13 Ų1382.8 Ų82.87%0.06840%0.398CS..Hα-helixtrans-58.3-40.1175.4177.558.3000111.4L111 D134 I137 L138 L165 Y166L111-L162 HydrophobicContact CD1-CD1 4.1Å; D134-L162 HydrophobicContact CB-CD2 4.27Å; D134-L162 WeakPolarHBondContact OD1-CD2 3.33Å; I137-L162 HydrophobicContact CB-CD2 4.23Å; I137-L162 HydrophobicContact CG2-CD1 3.88Å; I137-L162 HydrophobicContact CG2-CD2 3.8Å; L138-L162 HydrophobicContact CB-CB 4.4Å; L138-L162 HydrophobicContact CB-CD1 4.18Å; L138-L162 HydrophobicContact CD1-CB 4.42Å; L162-L165 PolarHBondContact O-N 3.46Å; L162-Y166 WeakPolarHBondContact O-CB 3.27Å; L162-Y166 PolarHBondContact O-N 2.97Å
163K95.8Very high95.3Very high159 Ų15978.6 Ų78.669%0.69139%0.385SS*.Hα-helixtrans-62-46.8177.7-175.2178-179.5178.60112.3S161 Y166 N167S161-K163 PolarHBondContact O-N 3.48Å; K163-Y166 PolarHBondContact O-N 3.32Å; K163-N167 VanDerWaalsContact O-CG 3.27Å; K163-N167 PolarHBondContact O-N 3.42Å; K163-N167 PolarHBondContact O-ND2 2.93Å
164E97.2Very high95.3Very high106 Ų10674.6 Ų74.650%0.49538%0.382SS..Hα-helixtrans-66.1-39.6178.1-71.7164.8137.700111.8I160 S161 N167 A168I160-E164 HydrophobicContact CD1-CB 3.75Å; I160-E164 HydrophobicContact CG1-CB 3.38Å; I160-E164 HydrophobicContact CG1-CG 4.41Å; S161-E164 WeakPolarHBondContact CB-OE2 3.17Å; S161-E164 PolarHBondContact N-OE2 2.84Å; S161-E164 PolarHBondContact O-N 3.41Å; S161-E164 WeakPolarHBondContact OG-CB 3.43Å; S161-E164 VanDerWaalsContact OG-CD 3.25Å; S161-E164 WeakPolarHBondContact OG-CG 3.2Å; S161-E164 PolarHBondContact OG-N 2.56Å; S161-E164 PolarHBondContact OG-OE2 3.33Å; E164-N167 PolarHBondContact O-N 3.47Å; E164-A168 WeakPolarHBondContact O-CB 3.4Å; E164-A168 PolarHBondContact O-N 2.97Å
165L97.7Very high95.2Very high0 Ų076.3 Ų76.30%040%0.4CS..Hα-helixtrans-62.9-44.2175.4175.259.2000111.6L138 F141 L142 I154 I160 S161 L162 A168 A169L138-L165 HydrophobicContact CD2-CD2 4.12Å; L138-L165 HydrophobicContact CG-CD2 3.9Å; F141-L165 HydrophobicContact CD1-CD1 4.49Å; F141-L165 HydrophobicContact CD1-CD2 3.67Å; F141-L165 HydrophobicContact CD1-CG 3.69Å; F141-L165 HydrophobicContact CE1-CD2 4.43Å; F141-L165 HydrophobicContact CE1-CG 3.95Å; L142-L165 HydrophobicContact CB-CD2 3.82Å; L142-L165 HydrophobicContact CD1-CD1 3.97Å; I154-L165 HydrophobicContact CG1-CD1 4.06Å; I154-L165 HydrophobicContact CG2-CD1 4.25Å; I160-L165 HydrophobicContact CD1-CB 4.21Å; I160-L165 HydrophobicContact CG1-CB 4.47Å; I160-L165 HydrophobicContact CG2-CB 4.4Å; S161-L165 WeakPolarHBondContact O-CB 3.06Å; S161-L165 PolarHBondContact O-N 2.78Å; L162-L165 PolarHBondContact O-N 3.46Å; L165-A168 PolarHBondContact O-N 2.82Å; L165-A169 WeakPolarHBondContact O-CB 3.31Å; L165-A169 PolarHBondContact O-N 3.25Å
166Y98.3Very high95.1Very high52 Ų5274.6 Ų74.620%0.20440%0.395CS..Hα-helixtrans-60.3-47.5175.6179.2-118.1000111.9V107 L111 F141 L162 K163 A168 A169 L170V107-Y166 HydrophobicContact CG1-CD2 3.72Å; V107-Y166 HydrophobicContact CG1-CE2 3.51Å; L111-Y166 HydrophobicContact CB-CD2 4.3Å; L111-Y166 HydrophobicContact CB-CE2 4.23Å; L111-Y166 HydrophobicContact CD2-CD1 4.31Å; L111-Y166 HydrophobicContact CD2-CD2 3.38Å; L111-Y166 HydrophobicContact CD2-CE2 3.69Å; L111-Y166 HydrophobicContact CD2-CG 3.72Å; L111-Y166 HydrophobicContact CG-CD2 4.43Å; F141-Y166 HydrophobicContact CZ-CD2 4.07Å; L162-Y166 WeakPolarHBondContact O-CB 3.27Å; L162-Y166 PolarHBondContact O-N 2.97Å; K163-Y166 PolarHBondContact O-N 3.32Å; Y166-A168 VanDerWaalsContact C-N 3.32Å; Y166-A168 PolarHBondContact O-N 2.86Å; Y166-A169 WeakPolarHBondContact O-CB 3.45Å; Y166-A169 PolarHBondContact O-N 3.32Å; Y166-A169 VanDerWaalsContact O-N 3.12Å; Y166-L170 HydrophobicContact CD1-CD1 3.98Å; Y166-L170 HydrophobicContact CE1-CD1 3.49Å; Y166-L170 VanDerWaalsContact CE1-CD1 3.49Å; Y166-L170 HydrophobicContact CE1-CG 4.2Å; Y166-L170 HydrophobicContact CE2-CD1 4.34Å; Y166-L170 HydrophobicContact CE2-CD2 4.34Å; Y166-L170 HydrophobicContact CE2-CG 4.17Å; Y166-L170 PolarHBondContact O-N 3.1Å
167N98Very high94.9Very high83 Ų8370.2 Ų70.244%0.44438%0.383SS..Hα-helixtrans-61-40.4176.4-71.1-18.3000112.3K163 E164 A169 L170 A171K163-N167 VanDerWaalsContact O-CG 3.27Å; K163-N167 PolarHBondContact O-N 3.42Å; K163-N167 PolarHBondContact O-ND2 2.93Å; E164-N167 PolarHBondContact O-N 3.47Å; N167-A169 VanDerWaalsContact C-N 3.3Å; N167-A169 PolarHBondContact O-N 2.98Å; N167-L170 PolarHBondContact O-N 3.37Å; N167-A171 WeakPolarHBondContact O-CB 3.4Å; N167-A171 PolarHBondContact O-N 3.44Å
168A97.7Very high95Very high16 Ų1673 Ų7313%0.13238%0.382CS..Hα-helixtrans-64.4-36176.100000112.2T150 I154 E164 L165 Y166 G172T150-A168 HydrophobicContact CG2-CB 4.12Å; I154-A168 HydrophobicContact CD1-CB 4.15Å; E164-A168 WeakPolarHBondContact O-CB 3.4Å; E164-A168 PolarHBondContact O-N 2.97Å; L165-A168 PolarHBondContact O-N 2.82Å; Y166-A168 VanDerWaalsContact C-N 3.32Å; Y166-A168 PolarHBondContact O-N 2.86Å; A168-G172 PolarHBondContact O-N 2.8Å; A168-G172 VanDerWaalsContact O-N 3.1Å
169A98Very high95Very high1 Ų166.1 Ų66.11%0.00836%0.36CS..Hα-helixtrans-70.1-44175.700000111.9V107 F141 M145 L165 Y166 N167 A171 G172 E173V107-A169 HydrophobicContact CG1-CB 3.78Å; V107-A169 HydrophobicContact CG2-CB 3.97Å; F141-A169 HydrophobicContact CE1-CB 3.86Å; F141-A169 HydrophobicContact CZ-CB 3.86Å; M145-A169 HydrophobicContact CE-CB 3.75Å; L165-A169 WeakPolarHBondContact O-CB 3.31Å; L165-A169 PolarHBondContact O-N 3.25Å; Y166-A169 WeakPolarHBondContact O-CB 3.45Å; Y166-A169 PolarHBondContact O-N 3.32Å; Y166-A169 VanDerWaalsContact O-N 3.12Å; N167-A169 VanDerWaalsContact C-N 3.3Å; N167-A169 PolarHBondContact O-N 2.98Å; A169-A171 VanDerWaalsContact C-N 3.34Å; A169-A171 PolarHBondContact O-N 3.12Å; A169-G172 WeakPolarHBondContact O-CA 3.36Å; A169-G172 PolarHBondContact O-N 2.87Å; A169-G172 VanDerWaalsContact O-N 3.1Å; A169-E173 PolarHBondContact O-N 3.46Å
170L97.9Very high95Very high57 Ų5760.6 Ų60.630%0.29834%0.339SS..Hα-helixtrans-58-44.8173-74.4175.9000112V107 Y166 N167 G172 E173 A174V107-L170 HydrophobicContact CB-CD2 4.26Å; V107-L170 HydrophobicContact CG1-CD2 3.91Å; V107-L170 HydrophobicContact CG1-CG 4.09Å; Y166-L170 HydrophobicContact CD1-CD1 3.98Å; Y166-L170 HydrophobicContact CE1-CD1 3.49Å; Y166-L170 VanDerWaalsContact CE1-CD1 3.49Å; Y166-L170 HydrophobicContact CE1-CG 4.2Å; Y166-L170 HydrophobicContact CE2-CD1 4.34Å; Y166-L170 HydrophobicContact CE2-CD2 4.34Å; Y166-L170 HydrophobicContact CE2-CG 4.17Å; Y166-L170 PolarHBondContact O-N 3.1Å; N167-L170 PolarHBondContact O-N 3.37Å; L170-G172 VanDerWaalsContact C-N 3.27Å; L170-G172 PolarHBondContact O-N 2.97Å; L170-E173 PolarHBondContact O-N 3.12Å; L170-A174 WeakPolarHBondContact O-CB 3.49Å; L170-A174 PolarHBondContact O-N 3.32Å
171A97Very high94.7Very high60 Ų6063 Ų6350%0.49635%0.352SS..Hα-helixtrans-63.2-34.2175.900000112.4N167 A169 A175N167-A171 WeakPolarHBondContact O-CB 3.4Å; N167-A171 PolarHBondContact O-N 3.44Å; A169-A171 VanDerWaalsContact C-N 3.34Å; A169-A171 PolarHBondContact O-N 3.12Å; A171-A175 VanDerWaalsContact O-CB 3.31Å; A171-A175 WeakPolarHBondContact O-CB 3.4Å; A171-A175 PolarHBondContact O-N 3.1Å; A171-A175 VanDerWaalsContact O-N 3.09Å
172G95.5Very high94.3Very high7 Ų766.3 Ų66.37%0.07236%0.364CS..Hα-helixtrans-66.5-45.9173.900000112.7A168 A169 L170 A175 V176A168-G172 PolarHBondContact O-N 2.8Å; A168-G172 VanDerWaalsContact O-N 3.1Å; A169-G172 WeakPolarHBondContact O-CA 3.36Å; A169-G172 PolarHBondContact O-N 2.87Å; A169-G172 VanDerWaalsContact O-N 3.1Å; L170-G172 VanDerWaalsContact C-N 3.27Å; L170-G172 PolarHBondContact O-N 2.97Å; G172-A175 PolarHBondContact O-N 3.03Å; G172-V176 WeakPolarHBondContact O-CG2 3.07Å; G172-V176 PolarHBondContact O-N 3.28Å; G172-V176 VanDerWaalsContact O-N 3.12Å
173E95.8Very high93.9Very high61 Ų6170.5 Ų70.529%0.28539%0.386SS..Hα-helixtrans-59.3-51.3176-175.9172.1-99.400111.3S106 V107 A169 L170 A175 V176 E177S106-E173 VanDerWaalsContact CA-OE1 3.29Å; S106-E173 WeakPolarHBondContact CA-OE1 3.03Å; V107-E173 HydrophobicContact CG2-CB 4.2Å; V107-E173 PolarHBondContact N-OE1 3.41Å; A169-E173 PolarHBondContact O-N 3.46Å; L170-E173 PolarHBondContact O-N 3.12Å; E173-A175 VanDerWaalsContact C-N 3.31Å; E173-A175 PolarHBondContact O-N 2.93Å; E173-V176 PolarHBondContact O-N 3.41Å; E173-V176 VanDerWaalsContact O-N 3.14Å; E173-E177 PolarHBondContact O-N 2.93Å
174A94.1Very high93.4Very high58 Ų5869.7 Ų69.748%0.47938%0.382SS..Hα-helixtrans-59.8-38.3177.200000112.8L170 E177 Q178L170-A174 WeakPolarHBondContact O-CB 3.49Å; L170-A174 PolarHBondContact O-N 3.32Å; A174-E177 PolarHBondContact O-N 3.2Å; A174-Q178 WeakPolarHBondContact O-CB 3.37Å; A174-Q178 PolarHBondContact O-N 2.98Å
175A93.7Very high92.6Very high62 Ų6270.5 Ų70.551%0.51239%0.386SS..Hα-helixtrans-66.8-36177.600000112.8A171 G172 E173 S179A171-A175 VanDerWaalsContact O-CB 3.31Å; A171-A175 WeakPolarHBondContact O-CB 3.4Å; A171-A175 PolarHBondContact O-N 3.1Å; A171-A175 VanDerWaalsContact O-N 3.09Å; G172-A175 PolarHBondContact O-N 3.03Å; E173-A175 VanDerWaalsContact C-N 3.31Å; E173-A175 PolarHBondContact O-N 2.93Å; A175-S179 WeakPolarHBondContact O-CB 3.46Å; A175-S179 PolarHBondContact O-N 3.42Å
176V91.4Very high91.8Very high78 Ų7874.4 Ų74.447%0.47341%0.413SS..Hα-helixtrans-69.8-45.3175.8171.30000110.5G172 E173 Q178 S179 N180G172-V176 WeakPolarHBondContact O-CG2 3.07Å; G172-V176 PolarHBondContact O-N 3.28Å; G172-V176 VanDerWaalsContact O-N 3.12Å; E173-V176 PolarHBondContact O-N 3.41Å; E173-V176 VanDerWaalsContact O-N 3.14Å; V176-Q178 PolarHBondContact O-N 2.9Å; V176-S179 PolarHBondContact O-N 3.39Å; V176-N180 PolarHBondContact O-N 3.43Å; V176-N180 PolarHBondContact O-ND2 2.84Å
177E90.8Very high90.8Very high125 Ų12576 Ų7658%0.58444%0.437SS*.Hα-helixtrans-57-50175.5-175.5120.6-155.900111.3E173 A174 S179 N180 L181E173-E177 PolarHBondContact O-N 2.93Å; A174-E177 PolarHBondContact O-N 3.2Å; E177-S179 PolarHBondContact O-N 3.39Å; E177-N180 PolarHBondContact O-N 3.25Å; E177-L181 HydrophobicContact CG-CD1 4.49Å; E177-L181 WeakPolarHBondContact O-CG 3.29Å; E177-L181 PolarHBondContact O-N 2.99Å
178Q90.8Very high89.8Confident110 Ų11079.1 Ų79.151%0.51445%0.453SS..Hα-helixtrans-61.3-42.1178.4-17264.117.300112.3A174 V176 N180 L181 M182A174-Q178 WeakPolarHBondContact O-CB 3.37Å; A174-Q178 PolarHBondContact O-N 2.98Å; V176-Q178 PolarHBondContact O-N 2.9Å; Q178-N180 VanDerWaalsContact C-N 3.35Å; Q178-N180 PolarHBondContact O-N 3.44Å; Q178-L181 PolarHBondContact O-N 3.27Å; Q178-M182 HydrophobicContact CG-SD 4.44Å; Q178-M182 VanDerWaalsContact O-CG 3.32Å; Q178-M182 WeakPolarHBondContact O-CG 3.39Å; Q178-M182 PolarHBondContact O-N 3.21Å
179S89.6Confident88.4Confident56 Ų5683.1 Ų83.139%0.39247%0.471SS..Hα-helixtrans-60.2-45.1175.5-169.90000111.4A175 V176 E177 L181 M182 D183A175-S179 WeakPolarHBondContact O-CB 3.46Å; A175-S179 PolarHBondContact O-N 3.42Å; V176-S179 PolarHBondContact O-N 3.39Å; E177-S179 PolarHBondContact O-N 3.39Å; S179-L181 VanDerWaalsContact C-N 3.31Å; S179-L181 PolarHBondContact O-N 2.97Å; S179-M182 PolarHBondContact O-N 2.9Å; S179-D183 VanDerWaalsContact O-CG 3.28Å; S179-D183 PolarHBondContact O-N 3.43Å
180N90.5Very high86.5Confident82 Ų8288.7 Ų88.744%0.43951%0.508SS..Hα-helixtrans-63.7-37.2179.3-68.3-25.7000112V176 E177 Q178 K184V176-N180 PolarHBondContact O-N 3.43Å; V176-N180 PolarHBondContact O-ND2 2.84Å; E177-N180 PolarHBondContact O-N 3.25Å; Q178-N180 VanDerWaalsContact C-N 3.35Å; Q178-N180 PolarHBondContact O-N 3.44Å; N180-K184 WeakPolarHBondContact O-CB 3.19Å; N180-K184 VanDerWaalsContact O-CG 3.27Å; N180-K184 WeakPolarHBondContact O-CG 3.39Å; N180-K184 PolarHBondContact O-N 3.2Å
181L89.5Confident84.3Confident87 Ų8794.9 Ų94.946%0.45554%0.535SS..Hα-helixtrans-64.8-42.9174.1-69.5173.7000111.6E177 Q178 S179 K184 H185E177-L181 HydrophobicContact CG-CD1 4.49Å; E177-L181 WeakPolarHBondContact O-CG 3.29Å; E177-L181 PolarHBondContact O-N 2.99Å; Q178-L181 PolarHBondContact O-N 3.27Å; S179-L181 VanDerWaalsContact C-N 3.31Å; S179-L181 PolarHBondContact O-N 2.97Å; L181-K184 PolarHBondContact O-N 2.95Å; L181-H185 WeakPolarHBondContact O-CB 3.49Å; L181-H185 PolarHBondContact O-N 3.34Å
182M85.9Confident82.3Confident120 Ų12095.7 Ų95.759%0.59154%0.542SS*.Hα-helixtrans-63.2-42.5175.9-68.2176.568.900112Q178 S179 H185 S186Q178-M182 HydrophobicContact CG-SD 4.44Å; Q178-M182 VanDerWaalsContact O-CG 3.32Å; Q178-M182 WeakPolarHBondContact O-CG 3.39Å; Q178-M182 PolarHBondContact O-N 3.21Å; S179-M182 PolarHBondContact O-N 2.9Å; M182-H185 PolarHBondContact O-N 3.28Å; M182-S186 WeakPolarHBondContact O-CB 3.46Å; M182-S186 PolarHBondContact O-N 2.97Å
183D86.8Confident80Confident100 Ų100101.4 Ų101.454%0.53558%0.575SS.*Hα-helixtrans-65.2-42.4178.2-68.8-31.4000111.5S179 S186 A187S179-D183 VanDerWaalsContact O-CG 3.28Å; S179-D183 PolarHBondContact O-N 3.43Å; D183-S186 PolarHBondContact O-N 3.34Å; D183-A187 WeakPolarHBondContact O-CB 3.47Å; D183-A187 PolarHBondContact O-N 2.93Å
184K84.9Confident77.7Confident143 Ų143108 Ų10862%0.62260%0.603SS**Hα-helixtrans-61.1-44.9173.3-75.3174.5-177.7179.40111.8N180 L181 A187 L188N180-K184 WeakPolarHBondContact O-CB 3.19Å; N180-K184 VanDerWaalsContact O-CG 3.27Å; N180-K184 WeakPolarHBondContact O-CG 3.39Å; N180-K184 PolarHBondContact O-N 3.2Å; L181-K184 PolarHBondContact O-N 2.95Å; K184-A187 PolarHBondContact O-N 3.34Å; K184-L188 WeakPolarHBondContact O-CG 3.16Å; K184-L188 PolarHBondContact O-N 3.44Å
185H81Confident75Confident123 Ų123110.7 Ų110.757%0.56962%0.618SS**Hα-helixtrans-65.5-40.4178-167.6-78.1000111.7L181 M182 A187 L188 L189L181-H185 WeakPolarHBondContact O-CB 3.49Å; L181-H185 PolarHBondContact O-N 3.34Å; M182-H185 PolarHBondContact O-N 3.28Å; H185-A187 VanDerWaalsContact C-N 3.28Å; H185-A187 PolarHBondContact O-N 2.89Å; H185-L188 PolarHBondContact O-N 3.19Å; H185-L189 PolarHBondContact O-N 2.89Å
186S80.2Confident72.8Confident82 Ų82111.4 Ų111.457%0.57362%0.623SS**Hα-helixtrans-65.5-30176-170.60000112.9M182 D183M182-S186 WeakPolarHBondContact O-CB 3.46Å; M182-S186 PolarHBondContact O-N 2.97Å; D183-S186 PolarHBondContact O-N 3.34Å
187A76.9Confident70.4Confident85 Ų85113.8 Ų113.870%0.70264%0.638SS**Hα-helixtrans-74.9-23.9176.700000113.3D183 K184 H185D183-A187 WeakPolarHBondContact O-CB 3.47Å; D183-A187 PolarHBondContact O-N 2.93Å; K184-A187 PolarHBondContact O-N 3.34Å; H185-A187 VanDerWaalsContact C-N 3.28Å; H185-A187 PolarHBondContact O-N 2.89Å
188L76.9Confident67.9Low149 Ų149114.8 Ų114.878%0.7865%0.648SS**Hα-helixtrans-84.1-22.5177.6-68.6170000113.2K184 H185K184-L188 WeakPolarHBondContact O-CG 3.16Å; K184-L188 PolarHBondContact O-N 3.44Å; H185-L188 PolarHBondContact O-N 3.19Å
189L69.3Low65.5Low99 Ų99119 Ų11952%0.51866%0.664SS.*SBendtrans-69.1135.2175.8-69.9172000109.9H185 Q191H185-L189 PolarHBondContact O-N 2.89Å; L189-Q191 PolarHBondContact O-N 3.38Å; L189-Q191 VanDerWaalsContact O-N 3.13Å
190P57.6Low62.9Low119 Ų119124.9 Ų124.977%0.77369%0.685SS**  trans-52.1125.1170.6-23.232.2000108.9A192P190-A192 PolarHBondContact O-N 3.24Å
191Q52.6Low60.5Low186 Ų186129.8 Ų129.887%0.86971%0.705SS**  trans-51.8113.5176.4-167.5170.23900107L189 T193L189-Q191 PolarHBondContact O-N 3.38Å; L189-Q191 VanDerWaalsContact O-N 3.13Å; Q191-T193 PolarHBondContact O-N 3.46Å
192A54.1Low57.9Low78 Ų78134.3 Ų134.365%0.64572%0.724SS**  trans-52.1108.9-179.500000107.3P190 F194P190-A192 PolarHBondContact O-N 3.24Å; A192-F194 VanDerWaalsContact C-N 3.34Å; A192-F194 PolarHBondContact O-N 2.91Å
193T47.7Very low55.5Low126 Ų126134.5 Ų134.577%0.77373%0.732SS**  trans-56.9109.4166.330000103.4Q191 C195Q191-T193 PolarHBondContact O-N 3.46Å; T193-C195 VanDerWaalsContact C-N 3.25Å; T193-C195 PolarHBondContact O-N 3.23Å
194F46.9Very low52.9Low199 Ų199140.7 Ų140.787%0.87375%0.748SS**  trans-55.6104.1167.7-71.1-90.5000104.9A192 A196A192-F194 VanDerWaalsContact C-N 3.34Å; A192-F194 PolarHBondContact O-N 2.91Å; F194-A196 PolarHBondContact O-N 2.8Å
195C38.8Very low50.7Low116 Ų116139 Ų13978%0.78475%0.75SS**  trans-62.688.2160.9-66.10000104.1T193 V197T193-C195 VanDerWaalsContact C-N 3.25Å; T193-C195 PolarHBondContact O-N 3.23Å; C195-V197 VanDerWaalsContact C-N 3.32Å; C195-V197 PolarHBondContact O-N 2.91Å
196A46.3Very low48.9Very low76 Ų76139.2 Ų139.263%0.62877%0.765SS**  trans-55.6110162.800000103.8F194 D198F194-A196 PolarHBondContact O-N 2.8Å; A196-D198 VanDerWaalsContact C-N 3.32Å; A196-D198 PolarHBondContact O-N 2.77Å
197V41.3Very low47Very low129 Ų129144.1 Ų144.178%0.78278%0.776SS**  trans-58.4107.6170.5179.30000104.6C195 K199C195-V197 VanDerWaalsContact C-N 3.32Å; C195-V197 PolarHBondContact O-N 2.91Å; V197-K199 PolarHBondContact O-N 2.93Å
198D38.2Very low45.2Very low146 Ų146148.8 Ų148.878%0.78178%0.784SS**  trans-58.491.5176.9-75.1-51.9000107.7A196 E200A196-D198 VanDerWaalsContact C-N 3.32Å; A196-D198 PolarHBondContact O-N 2.77Å; D198-E200 PolarHBondContact O-N 3.34Å
199K41.5Very low43.8Very low198 Ų198147.5 Ų147.586%0.86178%0.784SS**  trans-72.195.4154.3-73.9-168.1175.8-171.50105V197 H201V197-K199 PolarHBondContact O-N 2.93Å; K199-H201 VanDerWaalsContact C-N 3.33Å; K199-H201 PolarHBondContact O-N 2.93Å
200E33.7Very low42.6Very low179 Ų179146.3 Ų146.384%0.83679%0.789SS**  trans-42.698.2165.2-70.8-176.1140.700109.5D198D198-E200 PolarHBondContact O-N 3.34Å
201H39.9Very low42.4Very low186 Ų186145.6 Ų145.686%0.86178%0.782SS**  trans-137.5102.7152.3-111.842.5000108.3K199 T203K199-H201 VanDerWaalsContact C-N 3.33Å; K199-H201 PolarHBondContact O-N 2.93Å; H201-T203 PolarHBondContact O-N 3.32Å
202Q35.6Very low42.5Very low182 Ų182138.3 Ų138.385%0.8576%0.756SS**  trans-42.1125.2165.3-61168.914.600109.6
203T35Very low43Very low124 Ų124144.9 Ų144.976%0.76176%0.764SS**  172.6107.5115.3360000110.5H201H201-T203 PolarHBondContact O-N 3.32Å
204R33.4Very low44.6Very low229 Ų229142.7 Ų142.786%0.86476%0.759SS**  38.1134.9127-67.3175.471.4141.5-1.2119.2
205T38.2Very low46.6Very low108 Ų108136.9 Ų136.966%0.66374%0.737SS**  trans94.998.216067.20000116.4K207T205-K207 PolarHBondContact O-N 3.28Å
206S42.9Very low49.1Very low127 Ų127131.5 Ų131.589%0.88870%0.701SS**  trans-25.195.9146.243.50000113.1
207K40.6Very low51.3Low186 Ų186134.6 Ų134.681%0.80970%0.696SS**  trans-130.6125.3158.7-75.4-173.7178.2176.80107.7T205T205-K207 PolarHBondContact O-N 3.28Å
208Q39.3Very low53.9Low183 Ų183130 Ų13086%0.85567%0.665SS**  trans-41.1143.7176.1-66.7-171.2-36.900111.4A210Q208-A210 PolarHBondContact O-N 3.27Å
209P45.9Very low56.5Low122 Ų122123.1 Ų123.179%0.79263%0.628SS**  trans-57.1107.5-170.221.6-31.7000109.5V211P209-V211 VanDerWaalsContact C-N 3.35Å; P209-V211 PolarHBondContact O-N 2.71Å
210A45.8Very low58.9Low74 Ų74118 Ų11861%0.61261%0.61SS**  trans-61.7100177.800000108.3Q208 G212Q208-A210 PolarHBondContact O-N 3.27Å; A210-G212 PolarHBondContact O-N 3.35Å
211V53.2Low61.6Low104 Ų104112.8 Ų112.863%0.6359%0.588SS**THydrogen-bonded Turntrans-59.584166.5-179.10000106.7P209P209-V211 VanDerWaalsContact C-N 3.35Å; P209-V211 PolarHBondContact O-N 2.71Å
212G54.6Low64.1Low32 Ų32110.3 Ų110.333%0.3357%0.574SS.*THydrogen-bonded Turntrans166.6-21-177.800000119.4A210A210-G212 PolarHBondContact O-N 3.35Å
213R63.7Low66.6Low217 Ų217104.2 Ų104.282%0.81956%0.56SS**SBendtrans-85.8-41.7-174-76.5-172.5176.8-176.8-1114.8
214A82Confident69.2Low80 Ų80100.2 Ų100.266%0.66153%0.533SS*.SBendtrans-82.4146-178.900000112.3
215N87.9Confident72Confident77 Ų7791.1 Ų91.141%0.41250%0.504SS..PPolyproline II helixtrans-71.1129.4171.2-67.12.6000109.5W217 N220 K222N215-W217 PolarHBondContact O-N 3.46Å; N215-N220 VanDerWaalsContact CB-OD1 3.25Å; N215-N220 WeakPolarHBondContact CB-OD1 3.19Å; N215-N220 PolarHBondContact ND2-OD1 3.3Å; N215-K222 WeakPolarHBondContact OD1-CE 3.21Å; N215-K222 WeakPolarHBondContact OD1-CG 3.38Å
216C92.9Very high74.4Confident3 Ų387.7 Ų87.72%0.0248%0.484CS..PPolyproline II helixtrans-62.5119.9176168.30000110.8R218 C219 N220 N221 H224 C229C216-R218 PolarHBondContact O-N 2.86Å; C216-C219 PolarHBondContact O-N 2.76Å; C216-N220 VanDerWaalsContact O-CA 3.28Å; C216-N220 WeakPolarHBondContact O-CA 3.45Å; C216-N220 PolarHBondContact O-N 2.97Å; C216-N221 VanDerWaalsContact CB-O 3.28Å; C216-N221 WeakPolarHBondContact CB-O 3.41Å; C216-N221 PolarHBondContact N-O 3.48Å; C216-H224 VanDerWaalsContact CB-CE1 3.47Å; C216-H224 WeakPolarHBondContact CB-CE1 3.44Å; C216-H224 WeakPolarHBondContact CB-NE2 3.46Å; C216-H224 PolarHBondContact SG-NE2 3.19Å; C216-C229 VanDerWaalsContact SG-SG 3.68Å
217W92.8Very high76.5Confident140 Ų14086.7 Ų86.753%0.5347%0.469SS..THydrogen-bonded Turntrans-62.9-17.9-176.664.9-94.8000114.8N215 P226 V248N215-W217 PolarHBondContact O-N 3.46Å; W217-P226 VanDerWaalsContact CD1-CG 3.42Å; W217-P226 VanDerWaalsContact NE1-CB 3.28Å; W217-V248 WeakPolarHBondContact O-CG2 3.33Å
218R93.9Very high78.8Confident34 Ų3484 Ų8413%0.12846%0.463CS..THydrogen-bonded Turntrans-77.7-24.8177-56.2-170.8179.6-85.64.2113C216 P226 C229 G243 H244 I245 V248C216-R218 PolarHBondContact O-N 2.86Å; R218-P226 VanDerWaalsContact CD-O 3.25Å; R218-P226 WeakPolarHBondContact CD-O 3.46Å; R218-P226 HydrophobicContact CG-CB 4.36Å; R218-P226 PolarHBondContact NE-O 2.89Å; R218-C229 HydrophobicContact CB-CB 4.25Å; R218-G243 VanDerWaalsContact CB-O 3.28Å; R218-G243 WeakPolarHBondContact CB-O 3.38Å; R218-G243 VanDerWaalsContact CD-O 3.27Å; R218-G243 WeakPolarHBondContact CD-O 3.41Å; R218-G243 WeakPolarHBondContact CG-O 3.41Å; R218-G243 VanDerWaalsContact NH1-CA 3.26Å; R218-G243 PolarHBondContact NH1-O 3.33Å; R218-H244 WeakPolarHBondContact O-CA 3.45Å; R218-I245 WeakPolarHBondContact O-CG1 3.31Å; R218-I245 PolarHBondContact O-N 3.28Å; R218-V248 VanDerWaalsContact O-CG2 3.29Å; R218-V248 WeakPolarHBondContact O-CG2 3.32Å
219C93Very high81.4Confident1 Ų175.6 Ų75.61%0.00742%0.424CS..THydrogen-bonded Turntrans-142.2-11.7-17574.20000116.3C216 N221 H224 F231 I245 R247C216-C219 PolarHBondContact O-N 2.76Å; C219-N221 VanDerWaalsContact C-N 3.28Å; C219-N221 PolarHBondContact O-N 3.14Å; C219-N221 PolarHBondContact SG-N 3.12Å; C219-N221 VanDerWaalsContact SG-N 3.4Å; C219-H224 PolarHBondContact SG-CE1 3.49Å; C219-F231 HydrophobicContact CB-CD2 3.35Å; C219-F231 HydrophobicContact CB-CE2 3.64Å; C219-F231 HydrophobicContact CB-CG 4.39Å; C219-I245 HydrophobicContact CB-CD1 3.94Å; C219-I245 HydrophobicContact CB-CG1 4.3Å; C219-R247 PolarHBondContact O-NE 3.4Å; C219-R247 PolarHBondContact O-NH2 3.13Å
220N91.7Very high83.6Confident89 Ų8979.5 Ų79.548%0.47642%0.423SS..SBendtrans66.114-172.3-146.727.2000116.2N215 C216 V248N215-N220 VanDerWaalsContact CB-OD1 3.25Å; N215-N220 WeakPolarHBondContact CB-OD1 3.19Å; N215-N220 PolarHBondContact ND2-OD1 3.3Å; C216-N220 VanDerWaalsContact O-CA 3.28Å; C216-N220 WeakPolarHBondContact O-CA 3.45Å; C216-N220 PolarHBondContact O-N 2.97Å; N220-V248 HydrophobicContact CB-CG1 3.6Å
221N91.2Very high85.9Confident70 Ų7077.5 Ų77.537%0.37440%0.4SS..  trans-92.3148.6173-65.2-11.1000110.6C216 C219 R247C216-N221 VanDerWaalsContact CB-O 3.28Å; C216-N221 WeakPolarHBondContact CB-O 3.41Å; C216-N221 PolarHBondContact N-O 3.48Å; C219-N221 VanDerWaalsContact C-N 3.28Å; C219-N221 PolarHBondContact O-N 3.14Å; C219-N221 PolarHBondContact SG-N 3.12Å; C219-N221 VanDerWaalsContact SG-N 3.4Å; N221-R247 PolarHBondContact OD1-NH2 3.25Å
222K91.6Very high87.8Confident134 Ų13476.5 Ų76.558%0.58339%0.388SS*.SBendtrans-80.8178.8171-64.6-175.7179-178.90111.3N215 H224N215-K222 WeakPolarHBondContact OD1-CE 3.21Å; N215-K222 WeakPolarHBondContact OD1-CG 3.38Å; K222-H224 PolarHBondContact O-ND1 3.19Å
223G88.1Confident89.4Confident54 Ų5480.9 Ų80.956%0.55740%0.399SS*.SBendtrans83.68169.300000116.7
224H91.4Very high90.7Very high41 Ų4173.4 Ų73.419%0.1938%0.376CS..SBendtrans-157159.517565.8-68.8000111.5C216 C219 K222 L228 C229C216-H224 VanDerWaalsContact CB-CE1 3.47Å; C216-H224 WeakPolarHBondContact CB-CE1 3.44Å; C216-H224 WeakPolarHBondContact CB-NE2 3.46Å; C216-H224 PolarHBondContact SG-NE2 3.19Å; C219-H224 PolarHBondContact SG-CE1 3.49Å; K222-H224 PolarHBondContact O-ND1 3.19Å; H224-L228 HydrophobicContact CB-CB 4.38Å; H224-C229 VanDerWaalsContact CD2-CA 3.47Å; H224-C229 WeakPolarHBondContact CD2-CA 3.38Å; H224-C229 PolarHBondContact NE2-SG 2.9Å
225S90.8Very high91.2Very high37 Ų3772.8 Ų72.826%0.25937%0.365SS..  trans-79155.9170.269.10000111.2D227 L228 C229S225-D227 PolarHBondContact O-N 3.4Å; S225-D227 VanDerWaalsContact O-N 3.1Å; S225-L228 PolarHBondContact O-N 3.41Å; S225-L228 PolarHBondContact OG-N 3.05Å; S225-C229 PolarHBondContact O-N 3.27Å
226P88.4Confident91.3Very high36 Ų3669.1 Ų69.123%0.23435%0.346CS..G310 helixtrans-55-26.3174.1-27.436.4000114.7W217 R218 C229W217-P226 VanDerWaalsContact CD1-CG 3.42Å; W217-P226 VanDerWaalsContact NE1-CB 3.28Å; R218-P226 VanDerWaalsContact CD-O 3.25Å; R218-P226 WeakPolarHBondContact CD-O 3.46Å; R218-P226 HydrophobicContact CG-CB 4.36Å; R218-P226 PolarHBondContact NE-O 2.89Å; P226-C229 VanDerWaalsContact O-CB 3.31Å; P226-C229 WeakPolarHBondContact O-CB 3.34Å; P226-C229 PolarHBondContact O-N 3.39Å
227D88.2Confident91Very high106 Ų10675.4 Ų75.457%0.56738%0.375SS*.G310 helixtrans-76.3-28.1178.7-60.6-51.7000113.3S225 C229 K232S225-D227 PolarHBondContact O-N 3.4Å; S225-D227 VanDerWaalsContact O-N 3.1Å; D227-C229 VanDerWaalsContact C-N 3.31Å; D227-K232 WeakPolarHBondContact O-CD 3.41Å
228L89.3Confident90.7Very high130 Ų13074.6 Ų74.668%0.68137%0.372SS*.G310 helixtrans-89.74174-65.3173000112.6H224 S225 R230H224-L228 HydrophobicContact CB-CB 4.38Å; S225-L228 PolarHBondContact O-N 3.41Å; S225-L228 PolarHBondContact OG-N 3.05Å; L228-R230 PolarHBondContact O-N 3.42Å
229C93.1Very high90.6Very high6 Ų674 Ų744%0.04137%0.372CS..  trans-71.4127.1-176.8-168.40000111.1C216 R218 H224 S225 P226 D227 F231 K232C216-C229 VanDerWaalsContact SG-SG 3.68Å; R218-C229 HydrophobicContact CB-CB 4.25Å; H224-C229 VanDerWaalsContact CD2-CA 3.47Å; H224-C229 WeakPolarHBondContact CD2-CA 3.38Å; H224-C229 PolarHBondContact NE2-SG 2.9Å; S225-C229 PolarHBondContact O-N 3.27Å; P226-C229 VanDerWaalsContact O-CB 3.31Å; P226-C229 WeakPolarHBondContact O-CB 3.34Å; P226-C229 PolarHBondContact O-N 3.39Å; D227-C229 VanDerWaalsContact C-N 3.31Å; C229-F231 PolarHBondContact O-N 3.45Å; C229-K232 WeakPolarHBondContact O-CB 3.4Å; C229-K232 PolarHBondContact O-N 2.9Å
230R92.8Very high90.3Very high205 Ų20581 Ų8177%0.77441%0.405SS*.THydrogen-bonded Turntrans-55.5-18.3173.475.5178.1-176.7-164.60.1114.4L228L228-R230 PolarHBondContact O-N 3.42Å
231F94.2Very high90.3Very high31 Ų3183.6 Ų83.614%0.13641%0.412CS..THydrogen-bonded Turntrans-977.9179.7-56.5-69.5000113.6C219 C229 E233 L234 G243 I245C219-F231 HydrophobicContact CB-CD2 3.35Å; C219-F231 HydrophobicContact CB-CE2 3.64Å; C219-F231 HydrophobicContact CB-CG 4.39Å; C229-F231 PolarHBondContact O-N 3.45Å; F231-E233 VanDerWaalsContact C-N 3.25Å; F231-E233 PolarHBondContact O-N 2.94Å; F231-L234 HydrophobicContact CB-CB 4.35Å; F231-L234 HydrophobicContact CD1-CB 4.45Å; F231-L234 HydrophobicContact CD1-CD2 3.83Å; F231-L234 HydrophobicContact CE1-CD2 4.43Å; F231-L234 PolarHBondContact O-N 3.33Å; F231-G243 CarbonylContact O-C 3.46Å; F231-G243 WeakPolarHBondContact O-CA 3.4Å; F231-I245 HydrophobicContact CB-CG2 4.31Å; F231-I245 HydrophobicContact CD1-CG2 3.4Å; F231-I245 HydrophobicContact CD2-CD1 4.39Å; F231-I245 HydrophobicContact CD2-CG2 4.35Å; F231-I245 HydrophobicContact CE1-CG2 3.53Å; F231-I245 HydrophobicContact CE2-CD1 4.01Å; F231-I245 HydrophobicContact CE2-CG2 4.45Å; F231-I245 HydrophobicContact CG-CG2 3.78Å; F231-I245 HydrophobicContact CZ-CD1 4.1Å; F231-I245 HydrophobicContact CZ-CG2 4.02Å
232K91.8Very high90.3Very high83 Ų8386.8 Ų86.836%0.36142%0.422SS..THydrogen-bonded Turntrans-55.2-36.8179.7178.8179.3174.51770113.5D227 C229 G243D227-K232 WeakPolarHBondContact O-CD 3.41Å; C229-K232 WeakPolarHBondContact O-CB 3.4Å; C229-K232 PolarHBondContact O-N 2.9Å; K232-G243 WeakPolarHBondContact O-CA 3.44Å
233E89.4Confident90.4Very high124 Ų12480.5 Ų80.558%0.57940%0.395SS*.THydrogen-bonded Turntrans-105.85-179.7-63.4-54.5137.300113.9F231F231-E233 VanDerWaalsContact C-N 3.25Å; F231-E233 PolarHBondContact O-N 2.94Å
234L90.8Very high90.8Very high61 Ų6178.9 Ų78.932%0.31937%0.373SS..PPolyproline II helixtrans-76134.4-178.3-172.681.2000111.3F231 K242 G243 I245F231-L234 HydrophobicContact CB-CB 4.35Å; F231-L234 HydrophobicContact CD1-CB 4.45Å; F231-L234 HydrophobicContact CD1-CD2 3.83Å; F231-L234 HydrophobicContact CE1-CD2 4.43Å; F231-L234 PolarHBondContact O-N 3.33Å; L234-K242 CarbonylContact O-C 3.51Å; L234-K242 WeakPolarHBondContact O-CA 3.25Å; L234-G243 PolarHBondContact O-N 3.29Å; L234-I245 HydrophobicContact CD2-CB 4.5Å; L234-I245 HydrophobicContact CD2-CG2 3.31Å
235C91.4Very high90.8Very high66 Ų6678 Ų7845%0.44637%0.369SS..BIsolated β-bridgetrans-77.9121.7166.1-66.70000111.1H237C235-H237 PolarHBondContact O-N 3.34Å
236C89.8Confident90.9Very high1 Ų177.8 Ų77.81%0.00737%0.368CS..PPolyproline II helixtrans-63129.9177.5177.10000111.4R238 H240 K241 H244 C249C236-R238 PolarHBondContact O-N 2.91Å; C236-R238 PolarHBondContact SG-N 2.63Å; C236-R238 VanDerWaalsContact SG-N 3.37Å; C236-H240 WeakPolarHBondContact O-CA 3.46Å; C236-H240 PolarHBondContact O-N 3.09Å; C236-K241 WeakPolarHBondContact CB-O 3.48Å; C236-K241 PolarHBondContact N-O 2.82Å; C236-H244 WeakPolarHBondContact CB-NE2 3.45Å; C236-H244 WeakPolarHBondContact CB-O 3.46Å; C236-H244 PolarHBondContact SG-NE2 2.93Å; C236-C249 VanDerWaalsContact SG-SG 3.69Å
237H88Confident90.9Very high135 Ų13583.1 Ų83.163%0.62538%0.383SS*.THydrogen-bonded Turntrans-71.5-12.3178.2-58.7-75.2000113.9C235 S246C235-H237 PolarHBondContact O-N 3.34Å; H237-S246 WeakPolarHBondContact CB-OG 3.32Å; H237-S246 PolarHBondContact N-OG 3.38Å
238R85.9Confident91.1Very high123 Ų12379.5 Ų79.546%0.46437%0.365SS..THydrogen-bonded Turntrans-92.6-46.1179.8-174178.4-66166.1-3.2113.3C236 S246 C249C236-R238 PolarHBondContact O-N 2.91Å; C236-R238 PolarHBondContact SG-N 2.63Å; C236-R238 VanDerWaalsContact SG-N 3.37Å; R238-S246 VanDerWaalsContact CZ-O 3.28Å; R238-S246 PolarHBondContact NH1-O 3.37Å; R238-C249 HydrophobicContact CB-CB 4.21Å
239C91.1Very high91.2Very high20 Ų2073.4 Ų73.414%0.13533%0.333CS..THydrogen-bonded Turntrans-114.3-2.5-176.972.60000114.1K241 H244 N251C239-K241 PolarHBondContact O-N 3.17Å; C239-K241 PolarHBondContact SG-N 2.75Å; C239-H244 PolarHBondContact SG-CE1 3.07Å; C239-H244 PolarHBondContact SG-NE2 3.23Å; C239-N251 HydrophobicContact CB-CB 3.62Å
240H87.2Confident91Very high150 Ų15083.4 Ų83.469%0.69437%0.37SS*.  trans59.812.7-179.2-50.5-64.7000115.3C236C236-H240 WeakPolarHBondContact O-CA 3.46Å; C236-H240 PolarHBondContact O-N 3.09Å
241K91Very high90.2Very high142 Ų14279 Ų7962%0.61736%0.362SS*.  trans-88.1150.5171.5-58.2-178.5-179.5-177.20111.2C236 C239C236-K241 WeakPolarHBondContact CB-O 3.48Å; C236-K241 PolarHBondContact N-O 2.82Å; C239-K241 PolarHBondContact O-N 3.17Å; C239-K241 PolarHBondContact SG-N 2.75Å
242K93Very high88.8Confident138 Ų13880.1 Ų80.160%0.638%0.382SS*.BIsolated β-bridgetrans-73.4153.5177.8-75.6-173172.2-168.90112.9L234L234-K242 CarbonylContact O-C 3.51Å; L234-K242 WeakPolarHBondContact O-CA 3.25Å
243G93.6Very high87.1Confident1 Ų182 Ų821%0.0140%0.395CS..SBendtrans9413.6161.500000117.4R218 F231 K232 L234R218-G243 VanDerWaalsContact CB-O 3.28Å; R218-G243 WeakPolarHBondContact CB-O 3.38Å; R218-G243 VanDerWaalsContact CD-O 3.27Å; R218-G243 WeakPolarHBondContact CD-O 3.41Å; R218-G243 WeakPolarHBondContact CG-O 3.41Å; R218-G243 VanDerWaalsContact NH1-CA 3.26Å; R218-G243 PolarHBondContact NH1-O 3.33Å; F231-G243 CarbonylContact O-C 3.46Å; F231-G243 WeakPolarHBondContact O-CA 3.4Å; K232-G243 WeakPolarHBondContact O-CA 3.44Å; L234-G243 PolarHBondContact O-N 3.29Å
244H95Very high84.7Confident21 Ų2181.1 Ų81.110%0.09740%0.401CS..  trans-157.8163.617366.3-75.5000111.9R218 C236 C239 V248 C249R218-H244 WeakPolarHBondContact O-CA 3.45Å; C236-H244 WeakPolarHBondContact CB-NE2 3.45Å; C236-H244 WeakPolarHBondContact CB-O 3.46Å; C236-H244 PolarHBondContact SG-NE2 2.93Å; C239-H244 PolarHBondContact SG-CE1 3.07Å; C239-H244 PolarHBondContact SG-NE2 3.23Å; H244-V248 HydrophobicContact CB-CG2 3.9Å; H244-C249 PolarHBondContact NE2-SG 3.27Å
245I92.6Very high82Confident22 Ų2290.1 Ų90.111%0.11343%0.43CS..  trans-97.1157.3175.145.8175.2000112.6R218 C219 F231 L234 R247 V248 C249R218-I245 WeakPolarHBondContact O-CG1 3.31Å; R218-I245 PolarHBondContact O-N 3.28Å; C219-I245 HydrophobicContact CB-CD1 3.94Å; C219-I245 HydrophobicContact CB-CG1 4.3Å; F231-I245 HydrophobicContact CB-CG2 4.31Å; F231-I245 HydrophobicContact CD1-CG2 3.4Å; F231-I245 HydrophobicContact CD2-CD1 4.39Å; F231-I245 HydrophobicContact CD2-CG2 4.35Å; F231-I245 HydrophobicContact CE1-CG2 3.53Å; F231-I245 HydrophobicContact CE2-CD1 4.01Å; F231-I245 HydrophobicContact CE2-CG2 4.45Å; F231-I245 HydrophobicContact CG-CG2 3.78Å; F231-I245 HydrophobicContact CZ-CD1 4.1Å; F231-I245 HydrophobicContact CZ-CG2 4.02Å; L234-I245 HydrophobicContact CD2-CB 4.5Å; L234-I245 HydrophobicContact CD2-CG2 3.31Å; I245-R247 HydrophobicContact CD1-CG 3.63Å; I245-R247 HydrophobicContact CG1-CG 3.89Å; I245-R247 PolarHBondContact O-N 3.29Å; I245-V248 HydrophobicContact CG1-CG2 4.11Å; I245-V248 VanDerWaalsContact O-CG2 3.31Å; I245-V248 WeakPolarHBondContact O-CG2 3.42Å; I245-V248 PolarHBondContact O-N 3.43Å; I245-C249 PolarHBondContact O-N 2.99Å
246S91.4Very high79.2Confident32 Ų3292.4 Ų92.422%0.22444%0.442CS..G310 helixtrans-52.2-32.8-177.2-53.90000114.1H237 R238 V248 C249H237-S246 WeakPolarHBondContact CB-OG 3.32Å; H237-S246 PolarHBondContact N-OG 3.38Å; R238-S246 VanDerWaalsContact CZ-O 3.28Å; R238-S246 PolarHBondContact NH1-O 3.37Å; S246-V248 VanDerWaalsContact C-N 3.3Å; S246-V248 PolarHBondContact O-N 2.99Å; S246-C249 WeakPolarHBondContact O-CB 3.31Å; S246-C249 PolarHBondContact O-N 3.34Å
247R89.8Confident76.3Confident148 Ų148100.3 Ų100.356%0.55849%0.485SS*.G310 helixtrans-66.9-24.6-179.477.9-177.8-179.2-171.9-6.7114.5C219 N221 I245C219-R247 PolarHBondContact O-NE 3.4Å; C219-R247 PolarHBondContact O-NH2 3.13Å; N221-R247 PolarHBondContact OD1-NH2 3.25Å; I245-R247 HydrophobicContact CD1-CG 3.63Å; I245-R247 HydrophobicContact CG1-CG 3.89Å; I245-R247 PolarHBondContact O-N 3.29Å
248V91.6Very high73.5Confident31 Ų3197.7 Ų97.719%0.18849%0.486CS..G310 helixtrans-110.711.4177.6-600000112.5W217 R218 N220 H244 I245 S246 R250W217-V248 WeakPolarHBondContact O-CG2 3.33Å; R218-V248 VanDerWaalsContact O-CG2 3.29Å; R218-V248 WeakPolarHBondContact O-CG2 3.32Å; N220-V248 HydrophobicContact CB-CG1 3.6Å; H244-V248 HydrophobicContact CB-CG2 3.9Å; I245-V248 HydrophobicContact CG1-CG2 4.11Å; I245-V248 VanDerWaalsContact O-CG2 3.31Å; I245-V248 WeakPolarHBondContact O-CG2 3.42Å; I245-V248 PolarHBondContact O-N 3.43Å; S246-V248 VanDerWaalsContact C-N 3.3Å; S246-V248 PolarHBondContact O-N 2.99Å; V248-R250 PolarHBondContact O-N 3.28Å
249C91.2Very high70.8Confident1 Ų199 Ų991%0.00750%0.502CS..  trans-70.2121.3-176.3-1750000110.4C236 R238 H244 I245 S246 N251C236-C249 VanDerWaalsContact SG-SG 3.69Å; R238-C249 HydrophobicContact CB-CB 4.21Å; H244-C249 PolarHBondContact NE2-SG 3.27Å; I245-C249 PolarHBondContact O-N 2.99Å; S246-C249 WeakPolarHBondContact O-CB 3.31Å; S246-C249 PolarHBondContact O-N 3.34Å; C249-N251 PolarHBondContact O-N 2.93Å
250R88.8Confident68.2Low217 Ų217104.1 Ų104.182%0.81954%0.535SS*.SBendtrans-68.8-14.8176.7-65.5-176.8179.1179.5-1.3113.7V248 G252V248-R250 PolarHBondContact O-N 3.28Å; R250-G252 PolarHBondContact O-N 3.23Å
251N77.3Confident65.3Low112 Ų112103.1 Ų103.160%0.59954%0.54SS*.THydrogen-bonded Turntrans-81.342.4-175.5-151.458.4000113.4C239 C249C239-N251 HydrophobicContact CB-CB 3.62Å; C249-N251 PolarHBondContact O-N 2.93Å
252G63.3Low62.3Low54 Ų54103.3 Ų103.356%0.55755%0.548SS*.THydrogen-bonded Turntrans168.114.1-178.300000116.2R250R250-G252 PolarHBondContact O-N 3.23Å
253L56.5Low59.1Low123 Ų123105.9 Ų105.964%0.64456%0.562SS**SBendtrans-82.2133.4164-74.7160000107.6R255L253-R255 PolarHBondContact O-N 3.29Å
254P39.7Very low56.1Low106 Ų106109.7 Ų109.769%0.68859%0.588SS**  trans-52.3134.1165.7-2131.3000108.7T256P254-T256 PolarHBondContact O-N 3.37Å
255R33.3Very low52.9Low249 Ų249116.3 Ų116.394%0.9462%0.624SS**  trans-64.383.3170.9-81.2177.2149.3170.9-7.2108.4L253 N257L253-R255 PolarHBondContact O-N 3.29Å; R255-N257 PolarHBondContact O-N 2.96Å
256T32.5Very low49.8Very low114 Ų114121.9 Ų121.970%0.69965%0.654SS**  trans-79.496.4163.154.30000106.8P254 A258P254-T256 PolarHBondContact O-N 3.37Å; T256-A258 PolarHBondContact O-N 3.19Å
257N30Very low46.5Very low168 Ų168129.6 Ų129.690%0.89868%0.679SS**  trans-59.295.7148-81.1-6.1000105.7R255R255-N257 PolarHBondContact O-N 2.96Å
258A29.4Very low43.6Very low80 Ų80133 Ų13366%0.66169%0.692SS**  trans-132.2104.7171.700000107.2T256T256-A258 PolarHBondContact O-N 3.19Å
259N27.8Very low40.6Very low149 Ų149136.6 Ų136.680%0.79771%0.714SS**  trans-53142.8169.6-80.3-26000110.2T261N259-T261 PolarHBondContact O-N 3.37Å; N259-T261 VanDerWaalsContact O-N 3.08Å
260P36.1Very low37.7Very low128 Ų128141.4 Ų141.483%0.83174%0.744SS**SBendtrans-81.187.9179.632.1-31.5000110
261T27.1Very low34.7Very low129 Ų129138.9 Ų138.979%0.79175%0.746SS**  trans-150.8101.2161.151.10000107.8N259N259-T261 PolarHBondContact O-N 3.37Å; N259-T261 VanDerWaalsContact O-N 3.08Å
262D29Very low32.5Very low146 Ų146144.3 Ų144.378%0.78176%0.758SS**  -176.6109.5124.3-162.8-2.4000108.7S264D262-S264 PolarHBondContact O-N 3.04Å
263E26Very low30.9Very low192 Ų192146.5 Ų146.590%0.89777%0.765SS**  trans-78103.1163.4-68.1-176123.900107.8
264S30.1Very low29.7Very low81 Ų81152.1 Ų152.157%0.56678%0.778SS**  trans-173.7131.3146.342.10000113.7D262D262-S264 PolarHBondContact O-N 3.04Å
265L28.1Very low29.2Very low161 Ų161158.5 Ų158.584%0.84379%0.788SS**  trans7394.5135.6-64.3167.3000118.7
266D26.5Very low29.1Very low139 Ų139157.5 Ų157.574%0.74378%0.784SS**  119.3133.398.3-151.216.9000116.4R268D266-R268 PolarHBondContact O-N 3.24Å
267Y23.3Very low29Very low193 Ų193158.5 Ų158.576%0.75779%0.79SS**  trans-76.899.4-171-170.4-96.7000108.9T269Y267-T269 WeakPolarHBondContact CE1-OG1 3.33Å
268R27.4Very low28.9Very low221 Ų221159.1 Ų159.183%0.83479%0.787SS**  trans-123.392.1159.3-77.6-171.6168.1158.8-1.8111.1D266 V270D266-R268 PolarHBondContact O-N 3.24Å; R268-V270 VanDerWaalsContact C-N 3.26Å; R268-V270 PolarHBondContact O-N 3.44Å
269T29.6Very low29Very low106 Ų106160 Ų16065%0.6579%0.794SS**  trans-44.488.9150.8-49.50000110Y267Y267-T269 WeakPolarHBondContact CE1-OG1 3.33Å
270V30.1Very low29Very low102 Ų102161.8 Ų161.862%0.61880%0.8SS**  trans-98.7101.2162.4-174.20000106.9R268 R272R268-V270 VanDerWaalsContact C-N 3.26Å; R268-V270 PolarHBondContact O-N 3.44Å; V270-R272 HydrophobicContact CG1-CB 4.33Å; V270-R272 HydrophobicContact CG1-CG 4.16Å; V270-R272 PolarHBondContact O-N 2.87Å
271N26.4Very low28.6Very low164 Ų164160.2 Ų160.288%0.87780%0.798SS**  trans-4590.6150.4-102.3-21.2000108.6
272R30.9Very low28.6Very low225 Ų225165.7 Ų165.785%0.84980%0.804SS**  trans-108.588169.4-121.2177.4-179.4169.40.6108.1V270V270-R272 HydrophobicContact CG1-CB 4.33Å; V270-R272 HydrophobicContact CG1-CG 4.16Å; V270-R272 PolarHBondContact O-N 2.87Å
273S28.6Very low28.5Very low101 Ų101163.9 Ų163.971%0.70680%0.803SS**  trans36104.8137.7-169.40000115.2R275S273-R275 PolarHBondContact O-N 3.36Å
274R30.9Very low28.6Very low240 Ų240160.4 Ų160.491%0.90680%0.797SS**  trans-36.5101.5155.5-83.7171.9159.7167.5-6.8109.6R276R274-R276 VanDerWaalsContact C-N 3.29Å; R274-R276 PolarHBondContact O-N 2.93Å
275R29.9Very low28.5Very low240 Ų240161.8 Ų161.891%0.90681%0.807SS**  trans-62.597.8159.2-82.5-177.7172.4172.9-2.9106.8S273 V277S273-R275 PolarHBondContact O-N 3.36Å; R275-V277 PolarHBondContact O-N 3.47Å
276R30.9Very low28.5Very low228 Ų228161.6 Ų161.686%0.8680%0.802SS**  trans-59.6106.1165.4-75.3-177.7177.1-171.8-0.7106.5R274 H278R274-R276 VanDerWaalsContact C-N 3.29Å; R274-R276 PolarHBondContact O-N 2.93Å; R276-H278 PolarHBondContact O-N 3.48Å
277V30.3Very low28.4Very low136 Ų136163.6 Ų163.682%0.82481%0.806SS**  trans-65.1122.1166.9179.60000106.1R275 A279R275-V277 PolarHBondContact O-N 3.47Å; V277-A279 PolarHBondContact O-N 3.04Å
278H28.2Very low28.6Very low181 Ų181164.7 Ų164.784%0.83881%0.809SS**  trans-52108.7175.4-68.5-90.1000109.3R276 M280R276-H278 PolarHBondContact O-N 3.48Å; H278-M280 PolarHBondContact O-N 3.44Å
279A30.8Very low28.5Very low97 Ų97162.7 Ų162.780%0.80281%0.809SS**PPolyproline II helixtrans-68.9122.2164.500000106.8V277 A281V277-A279 PolarHBondContact O-N 3.04Å; A279-A281 PolarHBondContact O-N 3.4Å
280M28.9Very low28.1Very low188 Ų188163.2 Ų163.293%0.92682%0.817SS**PPolyproline II helixtrans-61.1133.3173.3-69.2-163.3176.100109.2H278 R282H278-M280 PolarHBondContact O-N 3.44Å; M280-R282 PolarHBondContact O-N 3.24Å
281A27.8Very low28Very low95 Ų95164.1 Ų164.179%0.78583%0.825SS**PPolyproline II helixtrans-51.9122.9177.800000110.3A279 S283A279-A281 PolarHBondContact O-N 3.4Å; A281-S283 PolarHBondContact O-N 3.3Å
282R26.1Very low28Very low243 Ų243161.2 Ų161.292%0.91782%0.818SS**  trans-70.2113.2158.4-92.5177.4162.3174.2-7106.3M280M280-R282 PolarHBondContact O-N 3.24Å
283S27.8Very low27.7Very low109 Ų109158.1 Ų158.176%0.76282%0.818SS**  trans-63146.5163-60.60000109.6A281A281-S283 PolarHBondContact O-N 3.3Å
284P27.9Very low27.6Very low118 Ų118158.8 Ų158.877%0.76682%0.823SS**  trans-73.9151.6-156.6-15.631.5000113.7Q286P284-Q286 PolarHBondContact O-N 2.83Å
285S27.3Very low27.5Very low111 Ų111155.8 Ų155.878%0.77682%0.819SS**  trans-44.2112.9163.842.40000111.4E287S285-E287 PolarHBondContact O-N 2.99Å
286Q28.3Very low27.4Very low157 Ų157151.9 Ų151.973%0.73482%0.817SS**  trans-75.8105.5159.8-123.8174.810.800106.9P284 W288P284-Q286 PolarHBondContact O-N 2.83Å; Q286-W288 PolarHBondContact O-N 3.47Å
287E24.3Very low27.3Very low180 Ų180148.1 Ų148.184%0.84181%0.813SS**  trans-48.1113.3157.5-73.3167.5149.100108.2S285S285-E287 PolarHBondContact O-N 2.99Å
288W29Very low27.1Very low216 Ų216149.8 Ų149.882%0.81881%0.812SS**  trans-117116.6158.9-79.490.8000106.9Q286Q286-W288 PolarHBondContact O-N 3.47Å
289Q24.3Very low27.2Very low179 Ų179147.3 Ų147.384%0.83681%0.812SS**  trans-61.6138.6-172.4-67.2165.9-11.900110.9P291Q289-P291 WeakPolarHBondContact O-CD 3.46Å
290S22.1Very low27Very low117 Ų117146.4 Ų146.482%0.81880%0.8SS**  trans-65.7127.2164.6-580000110.5
291P27.3Very low27.1Very low121 Ų121145.2 Ų145.279%0.78679%0.792SS**  trans-82.5108.8144.1-1.321.8000105.9Q289Q289-P291 WeakPolarHBondContact O-CD 3.46Å
292S26.2Very low27.1Very low103 Ų103148.5 Ų148.572%0.7279%0.791SS**  65.7107.289.8174.20000111
293D24Very low27.4Very low160 Ų160139.2 Ų139.286%0.85676%0.761SS**  trans-48.3137.5172-61.3-55.8000112.5
294S27.7Very low27.3Very low115 Ų115145.5 Ų145.580%0.80477%0.768SS**  trans-144.5109.6147.745.60000107
295E28.8Very low27.6Very low178 Ų178145.3 Ų145.383%0.83277%0.765SS**  trans-57.3156.7160.3-60.6176.812700109.6
296D27.4Very low27.9Very low158 Ų158144.4 Ų144.485%0.84576%0.758SS**  trans85.8137.6172.7-61.3-35.2000119.8
297D29.1Very low28.6Very low148 Ų148141.2 Ų141.279%0.79176%0.759SS**  trans83105.6173.5-79.3-26.4000120.5
298Q26.2Very low29.5Very low171 Ų171141.6 Ų141.680%0.79976%0.758SS**  trans24.3139.3145-71.5-178.6-2.200120S300Q298-S300 PolarHBondContact O-N 3Å
299P29.4Very low30Very low129 Ų129136.8 Ų136.884%0.83874%0.743SS**  trans-65.197.6-163.229.7-34.9000111.5E301P299-E301 VanDerWaalsContact C-N 3.33Å; P299-E301 PolarHBondContact O-N 2.85Å
300S27.4Very low30.5Very low79 Ų79132.1 Ų132.155%0.55273%0.727SS**  trans-69.1101155.454.70000106.4Q298 H302Q298-S300 PolarHBondContact O-N 3Å; S300-H302 PolarHBondContact O-CD2 3.31Å; S300-H302 VanDerWaalsContact O-CD2 3.3Å; S300-H302 PolarHBondContact O-N 3.01Å; S300-H302 PolarHBondContact OG-CD2 3.34Å; S300-H302 PolarHBondContact OG-NE2 2.95Å; S300-H302 VanDerWaalsContact OG-NE2 3.1Å
301E30.2Very low31.1Very low162 Ų162131.2 Ų131.276%0.75771%0.712SS**  trans-58.983.9172.2-143.8-172.7-172.100108.1P299 V303P299-E301 VanDerWaalsContact C-N 3.33Å; P299-E301 PolarHBondContact O-N 2.85Å; E301-V303 HydrophobicContact CB-CG2 4.12Å; E301-V303 HydrophobicContact CG-CG2 3.71Å; E301-V303 PolarHBondContact O-N 2.99Å
302H28.8Very low31.6Very low164 Ų164127.7 Ų127.776%0.75969%0.694SS**  trans-71.777.3171-74.3-71.9000107.8S300 R304S300-H302 PolarHBondContact O-CD2 3.31Å; S300-H302 VanDerWaalsContact O-CD2 3.3Å; S300-H302 PolarHBondContact O-N 3.01Å; S300-H302 PolarHBondContact OG-CD2 3.34Å; S300-H302 PolarHBondContact OG-NE2 2.95Å; S300-H302 VanDerWaalsContact OG-NE2 3.1Å; H302-R304 PolarHBondContact O-N 3.19Å
303V32Very low32.4Very low49 Ų49132.9 Ų132.930%0.29771%0.709SS.*  trans-71.9101.2-179.4179.20000108.6E301 V305E301-V303 HydrophobicContact CB-CG2 4.12Å; E301-V303 HydrophobicContact CG-CG2 3.71Å; E301-V303 PolarHBondContact O-N 2.99Å; V303-V305 PolarHBondContact O-N 3.33Å
304R26.1Very low33.3Very low240 Ų240128.4 Ų128.491%0.90670%0.695SS**  trans-59.2114.1163.6-73180174.2166.7-0.6108.7H302 S306H302-R304 PolarHBondContact O-N 3.19Å; R304-S306 PolarHBondContact O-N 2.96Å
305V33Very low33.8Very low115 Ų115128.7 Ų128.770%0.69769%0.694SS**  trans-69.791.4173.4-176.50000108.6V303V303-V305 PolarHBondContact O-N 3.33Å
306S33.4Very low34.4Very low91 Ų91124.1 Ų124.164%0.63668%0.675SS**  trans-77.3153.5158.8-160.60000107.9R304 F308 K309R304-S306 PolarHBondContact O-N 2.96Å; S306-F308 PolarHBondContact O-N 2.91Å; S306-K309 PolarHBondContact O-N 3.25Å; S306-K309 VanDerWaalsContact O-N 3.15Å
307A44.1Very low35.5Very low90 Ų90126 Ų12674%0.74468%0.678SS**THydrogen-bonded Turntrans-54.50.2-171.600000116.6
308F42.2Very low36.6Very low189 Ų189123.2 Ų123.283%0.82967%0.671SS**THydrogen-bonded Turntrans-131.426-176.9-65.6-75.7000114.9S306S306-F308 PolarHBondContact O-N 2.91Å
309K40.1Very low38Very low114 Ų114118.9 Ų118.950%0.49666%0.656SS.*  trans-144.298.2158.8-150.6178179.2-163.20111.3S306 N311S306-K309 PolarHBondContact O-N 3.25Å; S306-K309 VanDerWaalsContact O-N 3.15Å; K309-N311 PolarHBondContact O-N 3.07Å
310V35.5Very low39.6Very low82 Ų82115.5 Ų115.550%0.49764%0.644SS.*  trans-72.9107.7172.7-178.40000107.5A312 V319V310-A312 VanDerWaalsContact C-N 3.29Å; V310-A312 HydrophobicContact CG1-CB 3.87Å; V310-A312 PolarHBondContact O-N 3.02Å; V310-V319 HydrophobicContact CB-CG2 4.43Å; V310-V319 HydrophobicContact CG2-CG2 4.05Å
311N34.8Very low42Very low97 Ų97117.4 Ų117.452%0.51966%0.655SS.*  trans-82.883.2160.8-85.16.3000107K309K309-N311 PolarHBondContact O-N 3.07Å
312A38Very low44.4Very low48 Ų48112.3 Ų112.340%0.39764%0.636SS.*  trans-88.3125.3164.800000107V310 A314 D316V310-A312 VanDerWaalsContact C-N 3.29Å; V310-A312 HydrophobicContact CG1-CB 3.87Å; V310-A312 PolarHBondContact O-N 3.02Å; A312-A314 CarbonylContact C-O 3.38Å; A312-A314 WeakPolarHBondContact CB-O 3.43Å; A312-A314 CarbonylContact O-C 3.4Å; A312-A314 PolarHBondContact O-N 3.35Å; A312-D316 HydrophobicContact CB-CB 4.24Å
313M42.5Very low47.2Very low211 Ų211109.3 Ų109.3100%1.03963%0.629SS**SBendtrans-61.7-1.8174.6-63.9-175.686.600112.8
314A42.4Very low50.1Low67 Ų67110.2 Ų110.255%0.55464%0.635SS**SBendtrans-129.4134.9159.900000106.6A312 D316A312-A314 CarbonylContact C-O 3.38Å; A312-A314 WeakPolarHBondContact CB-O 3.43Å; A312-A314 CarbonylContact O-C 3.4Å; A312-A314 PolarHBondContact O-N 3.35Å; A314-D316 PolarHBondContact O-N 2.92Å
315P38.8Very low53.4Low121 Ų121100.8 Ų100.879%0.78660%0.602SS**  trans-57.2108.4-179.823.3-31.6000109.1Q317P315-Q317 PolarHBondContact O-N 3.25Å
316D42.2Very low56.4Low82 Ų8297.8 Ų97.844%0.43959%0.586SS.*  trans-62.3108.1164.1-178.6-5.9000105.9A312 A314 S318 V319A312-D316 HydrophobicContact CB-CB 4.24Å; A314-D316 PolarHBondContact O-N 2.92Å; D316-S318 PolarHBondContact O-N 2.85Å; D316-S318 WeakPolarHBondContact OD1-CB 3.39Å; D316-S318 PolarHBondContact OD1-N 3.03Å; D316-S318 VanDerWaalsContact OD1-N 3.12Å; D316-S318 PolarHBondContact OD1-OG 3.48Å; D316-S318 PolarHBondContact OD2-OG 3.45Å; D316-S318 VanDerWaalsContact OD2-OG 3.04Å; D316-V319 PolarHBondContact O-N 3.12Å
317Q48.7Very low59.5Low196 Ų19693.5 Ų93.592%0.91656%0.556SS**THydrogen-bonded Turntrans-59.2-10.1-177.1-69.8179.6-0.900112.6P315P315-Q317 PolarHBondContact O-N 3.25Å
318S53.2Low62Low90 Ų9092.1 Ų92.163%0.62954%0.535SS*.THydrogen-bonded Turntrans-80.9-16.8-179720000115.2D316D316-S318 PolarHBondContact O-N 2.85Å; D316-S318 WeakPolarHBondContact OD1-CB 3.39Å; D316-S318 PolarHBondContact OD1-N 3.03Å; D316-S318 VanDerWaalsContact OD1-N 3.12Å; D316-S318 PolarHBondContact OD1-OG 3.48Å; D316-S318 PolarHBondContact OD2-OG 3.45Å; D316-S318 VanDerWaalsContact OD2-OG 3.04Å
319V55Low64.7Low80 Ų8083.1 Ų83.149%0.48550%0.496SS..  trans-109.694.5-175.5-1710000111.2V310 D316V310-V319 HydrophobicContact CB-CG2 4.43Å; V310-V319 HydrophobicContact CG2-CG2 4.05Å; D316-V319 PolarHBondContact O-N 3.12Å
320G62.7Low67.3Low58 Ų5880.4 Ų80.460%0.59849%0.487SS*.PPolyproline II helixtrans-69.9154.2171.900000112.9
321P77.5Confident70.1Confident120 Ų12079.8 Ų79.878%0.77950%0.497SS*.PPolyproline II helixtrans-64.9151.3174.928.8-34.8000111.3T323P321-T323 PolarHBondContact O-N 3.18Å
322P81.2Confident73Confident54 Ų5477.1 Ų77.135%0.35149%0.485SS..PPolyproline II helixtrans-63.7137177.123.8-30.7000111.2V324 E337P322-V324 PolarHBondContact O-N 3.01Å; P322-E337 VanDerWaalsContact CB-CD 3.42Å; P322-E337 HydrophobicContact CB-CG 3.75Å
323T89.1Confident75.8Confident102 Ų10280.4 Ų80.463%0.62650%0.495SS*.PPolyproline II helixtrans-69.8124.4172-58.60000109.4P321 V338P321-T323 PolarHBondContact O-N 3.18Å; T323-V338 HydrophobicContact CG2-CB 4.4Å; T323-V338 HydrophobicContact CG2-CG2 4.15Å; T323-V338 PolarHBondContact O-N 3.36Å
324V92.7Very high78.4Confident67 Ų6770.7 Ų70.741%0.40645%0.447SS..EExtended strand (participates in β ladder)trans-119.2149.9-179.2-64.10000112.4P322 F336 E337P322-V324 PolarHBondContact O-N 3.01Å; V324-F336 CarbonylContact C-O 3.52Å; V324-F336 WeakPolarHBondContact CA-O 3.43Å; V324-E337 HydrophobicContact CG1-CB 4.45Å
325L94.8Very high81Confident42 Ų4273.4 Ų73.422%0.2245%0.448CS..EExtended strand (participates in β ladder)trans-126128.2171-67.8-179.4000110.5F336 V338 F390 L410 I420L325-F336 PolarHBondContact N-O 3.25Å; L325-F336 PolarHBondContact O-N 3.06Å; L325-V338 HydrophobicContact CB-CG2 4.43Å; L325-V338 HydrophobicContact CD1-CG2 3.88Å; L325-V338 HydrophobicContact CG-CG2 3.72Å; L325-F390 HydrophobicContact CB-CE2 4.32Å; L325-F390 HydrophobicContact CD1-CZ 4.11Å; L325-F390 HydrophobicContact CD2-CE2 4.24Å; L325-F390 HydrophobicContact CD2-CZ 3.92Å; L325-F390 HydrophobicContact CG-CZ 4.45Å; L325-L410 HydrophobicContact CB-CD2 4.44Å; L325-L410 HydrophobicContact CD1-CD2 3.79Å; L325-I420 HydrophobicContact CD1-CD1 3.69Å; L325-I420 HydrophobicContact CD1-CG1 4.18Å
326S96.1Very high83.8Confident52 Ų5267.7 Ų67.736%0.36441%0.411SS..EExtended strand (participates in β ladder)trans-83121.3172.3-83.10000110.9I334 F390S326-I334 WeakPolarHBondContact CA-O 3.43Å; S326-F390 WeakPolarHBondContact O-CD2 3.29Å
327M97.5Very high86.3Confident1 Ų166.4 Ų66.41%0.00540%0.402CS..EExtended strand (participates in β ladder)trans-131140.1-178.7-54.1-179.980.500110.5V329 I334 F336 V388 F390 L410 W414 F418M327-V329 HydrophobicContact CB-CG2 4.49Å; M327-I334 PolarHBondContact N-O 3.35Å; M327-I334 PolarHBondContact O-N 3.27Å; M327-F336 HydrophobicContact CB-CD2 4.24Å; M327-F336 HydrophobicContact CB-CE2 4.23Å; M327-F336 HydrophobicContact CG-CD2 4.25Å; M327-F336 HydrophobicContact SD-CD2 4.07Å; M327-F336 HydrophobicContact SD-CE2 4.45Å; M327-V388 HydrophobicContact CB-CG1 4.46Å; M327-V388 HydrophobicContact CE-CG1 3.72Å; M327-F390 HydrophobicContact CE-CB 3.64Å; M327-F390 HydrophobicContact CE-CG 4.13Å; M327-F390 HydrophobicContact CG-CB 4.27Å; M327-F390 HydrophobicContact CG-CD2 3.85Å; M327-F390 HydrophobicContact CG-CG 4.3Å; M327-L410 HydrophobicContact SD-CD1 3.77Å; M327-L410 HydrophobicContact SD-CD2 4.11Å; M327-W414 HydrophobicContact CE-CE3 4.05Å; M327-W414 HydrophobicContact CE-CZ3 4.35Å; M327-W414 HydrophobicContact SD-CE3 4.2Å; M327-W414 HydrophobicContact SD-CZ3 4.32Å; M327-F418 HydrophobicContact CE-CD1 4.21Å; M327-F418 HydrophobicContact CE-CD2 3.37Å; M327-F418 HydrophobicContact CE-CE1 4.07Å; M327-F418 HydrophobicContact CE-CE2 3.22Å; M327-F418 HydrophobicContact CE-CG 3.88Å; M327-F418 HydrophobicContact CE-CZ 3.6Å
328I97.5Very high88.5Confident61 Ų6158.6 Ų58.631%0.31337%0.368SS..EExtended strand (participates in β ladder)trans-83.7120.5173.8-60.5169.4000107.7V332 L333 V388 Q389I328-V332 CarbonylContact C-O 3.46Å; I328-V332 WeakPolarHBondContact CA-O 3.45Å; I328-L333 HydrophobicContact CG1-CD1 3.97Å; I328-V388 CarbonylContact O-C 3.52Å; I328-V388 VanDerWaalsContact O-CA 3.3Å; I328-V388 WeakPolarHBondContact O-CA 3.42Å; I328-Q389 HydrophobicContact CB-CB 4.16Å; I328-Q389 PolarHBondContact N-O 2.85Å; I328-Q389 PolarHBondContact O-N 3.49Å
329V97.7Very high90.3Very high0 Ų056.7 Ų56.70%035%0.35CS..EExtended strand (participates in β ladder)trans-123.7118.3-179-176.20000108.1M327 G331 V332 I334 F336 W356 A386 A387 V388 L399M327-V329 HydrophobicContact CB-CG2 4.49Å; V329-G331 PolarHBondContact O-N 3.36Å; V329-G331 VanDerWaalsContact O-N 3.14Å; V329-V332 PolarHBondContact N-O 2.73Å; V329-V332 PolarHBondContact O-N 3.4Å; V329-I334 HydrophobicContact CB-CD1 3.78Å; V329-I334 HydrophobicContact CB-CG1 4.39Å; V329-I334 HydrophobicContact CG1-CD1 4.32Å; V329-I334 HydrophobicContact CG2-CD1 4.02Å; V329-I334 HydrophobicContact CG2-CG1 4.42Å; V329-F336 HydrophobicContact CG2-CE2 3.79Å; V329-F336 HydrophobicContact CG2-CZ 4.04Å; V329-W356 HydrophobicContact CB-CZ2 4.31Å; V329-W356 HydrophobicContact CG1-CH2 4.18Å; V329-W356 HydrophobicContact CG1-CZ2 4.05Å; V329-W356 WeakPolarHBondContact O-CZ2 3.25Å; V329-A386 HydrophobicContact CG1-CB 3.69Å; V329-A387 CarbonylContact C-O 3.56Å; V329-A387 WeakPolarHBondContact CA-O 3.34Å; V329-V388 HydrophobicContact CG2-CG1 4.35Å; V329-V388 HydrophobicContact CG2-CG2 4.5Å; V329-L399 HydrophobicContact CG1-CD2 4.06Å
330N95.9Very high91.8Very high58 Ų5855.8 Ų55.831%0.3135%0.348SS..THydrogen-bonded Turntrans47.242-174.6-69.8-8.4000112.5V332 W356 A386 A387N330-V332 VanDerWaalsContact C-N 3.32Å; N330-V332 PolarHBondContact O-N 2.82Å; N330-W356 HydrophobicContact CB-CZ2 4.21Å; N330-A386 WeakPolarHBondContact OD1-CA 3.45Å; N330-A387 PolarHBondContact N-O 3.42Å; N330-A387 PolarHBondContact OD1-N 3.08Å
331G93.7Very high93Very high69 Ų6955.9 Ų55.971%0.71135%0.349SS*.THydrogen-bonded Turntrans81.8-2.6-179.800000116V329V329-G331 PolarHBondContact O-N 3.36Å; V329-G331 VanDerWaalsContact O-N 3.14Å
332V96Very high93.6Very high41 Ų4151 Ų5125%0.24832%0.317CS..EExtended strand (participates in β ladder)trans-109.2132.9-178.9-178.10000110.6I328 V329 N330 I334 L355 W356I328-V332 CarbonylContact C-O 3.46Å; I328-V332 WeakPolarHBondContact CA-O 3.45Å; V329-V332 PolarHBondContact N-O 2.73Å; V329-V332 PolarHBondContact O-N 3.4Å; N330-V332 VanDerWaalsContact C-N 3.32Å; N330-V332 PolarHBondContact O-N 2.82Å; V332-I334 HydrophobicContact CG1-CG1 4.42Å; V332-I334 PolarHBondContact O-N 2.97Å; V332-L355 HydrophobicContact CG1-CB 4.43Å; V332-L355 HydrophobicContact CG1-CD1 4.3Å; V332-L355 HydrophobicContact CG1-CD2 4.05Å; V332-L355 HydrophobicContact CG1-CG 4.48Å; V332-W356 HydrophobicContact CB-CZ2 4.44Å
333L97Very high94.1Very high116 Ų11650.9 Ų50.961%0.60732%0.321SS*.EExtended strand (participates in β ladder)trans-74.4123.7175-169.267.2000110.5I328I328-L333 HydrophobicContact CG1-CD1 3.97Å
334I97.4Very high94.3Very high8 Ų847.4 Ų47.44%0.04130%0.298CS..EExtended strand (participates in β ladder)trans-127.3130.2179.7-55.3-178.4000109.2S326 M327 V329 V332 F336 L355 W356 P408S326-I334 WeakPolarHBondContact CA-O 3.43Å; M327-I334 PolarHBondContact N-O 3.35Å; M327-I334 PolarHBondContact O-N 3.27Å; V329-I334 HydrophobicContact CB-CD1 3.78Å; V329-I334 HydrophobicContact CB-CG1 4.39Å; V329-I334 HydrophobicContact CG1-CD1 4.32Å; V329-I334 HydrophobicContact CG2-CD1 4.02Å; V329-I334 HydrophobicContact CG2-CG1 4.42Å; V332-I334 HydrophobicContact CG1-CG1 4.42Å; V332-I334 PolarHBondContact O-N 2.97Å; I334-F336 HydrophobicContact CB-CD2 4.26Å; I334-F336 HydrophobicContact CB-CE2 3.7Å; I334-F336 HydrophobicContact CB-CZ 4.27Å; I334-F336 HydrophobicContact CG2-CD2 3.98Å; I334-F336 HydrophobicContact CG2-CE1 4.43Å; I334-F336 HydrophobicContact CG2-CE2 3.59Å; I334-F336 HydrophobicContact CG2-CZ 3.85Å; I334-L355 HydrophobicContact CD1-CD1 3.45Å; I334-L355 VanDerWaalsContact CD1-CD1 3.45Å; I334-L355 HydrophobicContact CG1-CD1 3.71Å; I334-W356 HydrophobicContact CD1-CH2 3.49Å; I334-W356 VanDerWaalsContact CD1-CH2 3.49Å; I334-W356 HydrophobicContact CD1-CZ2 3.93Å; I334-W356 HydrophobicContact CD1-CZ3 4.47Å; I334-P408 HydrophobicContact CG2-CB 4.01Å; I334-P408 HydrophobicContact CG2-CG 3.78Å
335E96.3Very high94.5Very high124 Ų12444.3 Ų44.358%0.57928%0.279SS*.EExtended strand (participates in β ladder)trans-84.4120.1169.2-67-172152.700110.1P408E335-P408 WeakPolarHBondContact O-CB 3.49Å; E335-P408 WeakPolarHBondContact O-CG 3.48Å
336F97.4Very high94.5Very high0 Ų043.3 Ų43.30%027%0.274CS..EExtended strand (participates in β ladder)trans-107.7133.2173-66.5-95.9000111.2V324 L325 M327 V329 I334 T345 I347 L399 P408 L410 W414V324-F336 CarbonylContact C-O 3.52Å; V324-F336 WeakPolarHBondContact CA-O 3.43Å; L325-F336 PolarHBondContact N-O 3.25Å; L325-F336 PolarHBondContact O-N 3.06Å; M327-F336 HydrophobicContact CB-CD2 4.24Å; M327-F336 HydrophobicContact CB-CE2 4.23Å; M327-F336 HydrophobicContact CG-CD2 4.25Å; M327-F336 HydrophobicContact SD-CD2 4.07Å; M327-F336 HydrophobicContact SD-CE2 4.45Å; V329-F336 HydrophobicContact CG2-CE2 3.79Å; V329-F336 HydrophobicContact CG2-CZ 4.04Å; I334-F336 HydrophobicContact CB-CD2 4.26Å; I334-F336 HydrophobicContact CB-CE2 3.7Å; I334-F336 HydrophobicContact CB-CZ 4.27Å; I334-F336 HydrophobicContact CG2-CD2 3.98Å; I334-F336 HydrophobicContact CG2-CE1 4.43Å; I334-F336 HydrophobicContact CG2-CE2 3.59Å; I334-F336 HydrophobicContact CG2-CZ 3.85Å; F336-T345 HydrophobicContact CD1-CG2 3.89Å; F336-T345 HydrophobicContact CE1-CG2 3.53Å; F336-T345 HydrophobicContact CZ-CG2 4.26Å; F336-I347 HydrophobicContact CE1-CG2 4.01Å; F336-I347 HydrophobicContact CZ-CG2 4.42Å; F336-L399 HydrophobicContact CE1-CD1 4.29Å; F336-P408 WeakPolarHBondContact CA-O 3.45Å; F336-P408 HydrophobicContact CB-CB 4.46Å; F336-P408 HydrophobicContact CD1-CB 3.39Å; F336-P408 HydrophobicContact CE1-CB 3.69Å; F336-P408 HydrophobicContact CG-CB 3.95Å; F336-P408 HydrophobicContact CZ-CB 4.47Å; F336-L410 HydrophobicContact CB-CB 3.66Å; F336-L410 HydrophobicContact CD1-CB 4.49Å; F336-L410 HydrophobicContact CG-CB 4.31Å; F336-W414 HydrophobicContact CE2-CZ3 4.45Å; F336-W414 HydrophobicContact CZ-CH2 4.48Å; F336-W414 HydrophobicContact CZ-CZ3 4.25Å
337E95.5Very high94.5Very high56 Ų5640.9 Ų40.926%0.26226%0.257SS..EExtended strand (participates in β ladder)trans-73.4125.8166.6175.7168.9156.500109.8P322 V324 D339 P408 L409 L410P322-E337 VanDerWaalsContact CB-CD 3.42Å; P322-E337 HydrophobicContact CB-CG 3.75Å; V324-E337 HydrophobicContact CG1-CB 4.45Å; E337-D339 PolarHBondContact O-N 3.15Å; E337-P408 PolarHBondContact N-O 3.16Å; E337-L409 HydrophobicContact CB-CD2 4.08Å; E337-L409 HydrophobicContact CG-CD2 4.24Å; E337-L410 PolarHBondContact O-N 3.17Å
338V94.1Very high94.3Very high31 Ų3141.3 Ų41.319%0.18826%0.26CS..EExtended strand (participates in β ladder)trans-75112.1-179.1-178.60000108.9T323 L325 L410 F415T323-V338 HydrophobicContact CG2-CB 4.4Å; T323-V338 HydrophobicContact CG2-CG2 4.15Å; T323-V338 PolarHBondContact O-N 3.36Å; L325-V338 HydrophobicContact CB-CG2 4.43Å; L325-V338 HydrophobicContact CD1-CG2 3.88Å; L325-V338 HydrophobicContact CG-CG2 3.72Å; V338-L410 HydrophobicContact CG2-CD2 4.31Å; V338-F415 HydrophobicContact CG1-CE1 4.23Å; V338-F415 HydrophobicContact CG1-CZ 3.9Å
339D92.4Very high94.1Very high50 Ų5041 Ų4127%0.26726%0.258SS..  trans-125.398.1-177.9-178.94.9000110.6E337 G341 S342 L409 L410E337-D339 PolarHBondContact O-N 3.15Å; D339-G341 PolarHBondContact O-N 3Å; D339-G341 WeakPolarHBondContact OD1-CA 3.34Å; D339-G341 PolarHBondContact OD1-N 2.61Å; D339-S342 PolarHBondContact O-N 3.36Å; D339-S342 PolarHBondContact OD1-N 2.99Å; D339-S342 VanDerWaalsContact OD1-N 3.15Å; D339-S342 VanDerWaalsContact OD2-CB 3.28Å; D339-S342 WeakPolarHBondContact OD2-CB 3.47Å; D339-S342 PolarHBondContact OD2-N 3.49Å; D339-L409 HydrophobicContact CB-CD2 4.26Å; D339-L410 PolarHBondContact N-O 3.19Å
340S86.5Confident93.8Very high62 Ų6248.3 Ų48.343%0.43429%0.292SS..SBendtrans-68.1-16.9171.747.20000114.1R412 I422S340-R412 VanDerWaalsContact O-CD 3.26Å; S340-R412 WeakPolarHBondContact O-CD 3.27Å; S340-R412 WeakPolarHBondContact O-CG 3.35Å; S340-R412 PolarHBondContact O-NH1 3.3Å; S340-I422 WeakPolarHBondContact OG-CD1 3.01Å
341G87.2Confident93.7Very high59 Ų5946.2 Ų46.261%0.60828%0.281SS*.SBendtrans-70.9-32.4171.200000112.1D339 R412D339-G341 PolarHBondContact O-N 3Å; D339-G341 WeakPolarHBondContact OD1-CA 3.34Å; D339-G341 PolarHBondContact OD1-N 2.61Å; G341-R412 PolarHBondContact O-NH1 3.47Å
342S90.8Very high93.8Very high18 Ų1843 Ų4313%0.12625%0.247CC..  trans-79131178-175.70000113.5D339 L344 G411 R412D339-S342 PolarHBondContact O-N 3.36Å; D339-S342 PolarHBondContact OD1-N 2.99Å; D339-S342 VanDerWaalsContact OD1-N 3.15Å; D339-S342 VanDerWaalsContact OD2-CB 3.28Å; D339-S342 WeakPolarHBondContact OD2-CB 3.47Å; D339-S342 PolarHBondContact OD2-N 3.49Å; S342-L344 PolarHBondContact OG-N 3.3Å; S342-L344 PolarHBondContact OG-O 3.49Å; S342-G411 WeakPolarHBondContact O-CA 3.39Å; S342-R412 WeakPolarHBondContact O-CG 3.42Å; S342-R412 PolarHBondContact O-N 2.92Å; S342-R412 PolarHBondContact O-NH1 2.91Å
343A90.3Very high93.6Very high51 Ų5145.1 Ų45.142%0.42125%0.254SS..SBendtrans-73.8-27.7171.900000112.8A413A343-A413 VanDerWaalsContact O-CB 3.31Å; A343-A413 WeakPolarHBondContact O-CB 3.31Å; A343-A413 PolarHBondContact O-N 2.94Å
344L93.5Very high93.4Very high30 Ų3048.1 Ų48.116%0.15726%0.257CS..SBendtrans-122152-169.8-55.5-176.5000111.1S342 L346 L368 I370 F400 G411S342-L344 PolarHBondContact OG-N 3.3Å; S342-L344 PolarHBondContact OG-O 3.49Å; L344-L346 HydrophobicContact CB-CD2 3.67Å; L344-L346 HydrophobicContact CB-CG 4.28Å; L344-L346 HydrophobicContact CD1-CD2 4.28Å; L344-L368 HydrophobicContact CD1-CD1 3.71Å; L344-I370 HydrophobicContact CD1-CD1 3.38Å; L344-I370 HydrophobicContact CD1-CG1 4.16Å; L344-F400 HydrophobicContact CB-CD2 4.03Å; L344-F400 HydrophobicContact CB-CE2 4.43Å; L344-F400 HydrophobicContact CD1-CD1 4.17Å; L344-F400 HydrophobicContact CD1-CD2 3.9Å; L344-F400 HydrophobicContact CD1-CE1 4.3Å; L344-F400 HydrophobicContact CD1-CE2 4.04Å; L344-F400 HydrophobicContact CD1-CG 3.98Å; L344-F400 HydrophobicContact CD1-CZ 4.23Å; L344-F400 HydrophobicContact CD2-CD2 4.3Å; L344-F400 HydrophobicContact CD2-CE2 3.85Å; L344-F400 HydrophobicContact CD2-CZ 4.29Å; L344-F400 HydrophobicContact CG-CD2 4.31Å; L344-F400 HydrophobicContact CG-CE2 4.33Å; L344-G411 WeakPolarHBondContact O-CA 3.41Å; L344-G411 PolarHBondContact O-N 2.87Å
345T96.7Very high93.2Very high1 Ų150 Ų501%0.00627%0.267CS..  trans-84.8127.1166.5-55.30000108.8F336 L399 F400 L409 L410 G411 W414F336-T345 HydrophobicContact CD1-CG2 3.89Å; F336-T345 HydrophobicContact CE1-CG2 3.53Å; F336-T345 HydrophobicContact CZ-CG2 4.26Å; T345-L399 HydrophobicContact CG2-CD1 3.53Å; T345-F400 PolarHBondContact O-N 2.93Å; T345-F400 VanDerWaalsContact O-N 3.16Å; T345-L409 CarbonylContact C-O 3.59Å; T345-L409 WeakPolarHBondContact CA-O 3.32Å; T345-L409 WeakPolarHBondContact CG2-O 3.15Å; T345-L410 HydrophobicContact CG2-CD1 4.13Å; T345-G411 PolarHBondContact OG1-N 2.73Å; T345-W414 HydrophobicContact CG2-CD2 3.81Å; T345-W414 HydrophobicContact CG2-CE3 3.84Å; T345-W414 HydrophobicContact CG2-CG 4.47Å; T345-W414 HydrophobicContact CG2-CH2 3.93Å; T345-W414 HydrophobicContact CG2-CZ2 3.92Å; T345-W414 HydrophobicContact CG2-CZ3 3.89Å; T345-W414 VanDerWaalsContact OG1-CD1 3.29Å
346L95.2Very high93.1Very high21 Ų2145 Ų4511%0.1124%0.243CC..EExtended strand (participates in β ladder)trans-129143.4-167.5-54.6179.2000111.1L344 I370 F400 M402 P408 L409L344-L346 HydrophobicContact CB-CD2 3.67Å; L344-L346 HydrophobicContact CB-CG 4.28Å; L344-L346 HydrophobicContact CD1-CD2 4.28Å; L346-I370 HydrophobicContact CD2-CD1 4.29Å; L346-F400 WeakPolarHBondContact CA-O 3.35Å; L346-F400 HydrophobicContact CD2-CB 3.58Å; L346-F400 HydrophobicContact CD2-CG 4.4Å; L346-M402 HydrophobicContact CB-CG 4.21Å; L346-M402 HydrophobicContact CD1-CG 4.24Å; L346-M402 HydrophobicContact CD1-SD 4.46Å; L346-M402 HydrophobicContact CD2-CG 4.29Å; L346-M402 HydrophobicContact CD2-SD 4.13Å; L346-M402 HydrophobicContact CG-CG 4.48Å; L346-P408 WeakPolarHBondContact O-CA 3.35Å; L346-L409 HydrophobicContact CB-CB 4.41Å; L346-L409 HydrophobicContact CD1-CD1 4.42Å; L346-L409 PolarHBondContact N-O 3.35Å; L346-L409 PolarHBondContact O-N 3.4Å
347I95.9Very high92.4Very high2 Ų253.6 Ų53.61%0.0128%0.28CS..EExtended strand (participates in β ladder)trans-130.7159.6163.956.7167.4000110.2F336 L351 L352 W356 F384 L399 F400 V401 M402 P408F336-I347 HydrophobicContact CE1-CG2 4.01Å; F336-I347 HydrophobicContact CZ-CG2 4.42Å; I347-L351 HydrophobicContact CB-CD2 4.18Å; I347-L351 HydrophobicContact CG2-CD2 4.03Å; I347-L352 HydrophobicContact CD1-CB 4.15Å; I347-L352 HydrophobicContact CD1-CD1 3.99Å; I347-W356 HydrophobicContact CD1-CH2 4.41Å; I347-W356 HydrophobicContact CD1-CZ3 3.86Å; I347-F384 HydrophobicContact CD1-CE1 4.22Å; I347-F384 HydrophobicContact CD1-CZ 4.4Å; I347-L399 HydrophobicContact CD1-CD2 3.87Å; I347-L399 HydrophobicContact CD1-CG 4.33Å; I347-L399 HydrophobicContact CG1-CD2 4.14Å; I347-L399 HydrophobicContact CG1-CG 4.14Å; I347-L399 HydrophobicContact CG2-CD1 4.27Å; I347-L399 HydrophobicContact CG2-CD2 4.22Å; I347-F400 PolarHBondContact N-O 2.82Å; I347-V401 HydrophobicContact CD1-CG2 4.29Å; I347-V401 HydrophobicContact CG1-CG2 4.11Å; I347-V401 WeakPolarHBondContact O-CA 3.48Å; I347-M402 PolarHBondContact O-N 3.27Å; I347-P408 HydrophobicContact CG2-CB 3.99Å; I347-P408 HydrophobicContact CG2-CG 4.29Å
348S94.2Very high91.8Very high10 Ų1055 Ų557%0.0731%0.31CS..EExtended strand (participates in β ladder)trans-77.6153.8171.671.30000111.7E350 L351 L352 M402 G405S348-E350 VanDerWaalsContact C-N 3.28Å; S348-E350 PolarHBondContact O-N 2.62Å; S348-L351 PolarHBondContact O-N 3.2Å; S348-L351 VanDerWaalsContact OG-CB 3.3Å; S348-L351 WeakPolarHBondContact OG-CB 3.4Å; S348-L351 PolarHBondContact OG-N 2.61Å; S348-L351 VanDerWaalsContact OG-N 3.07Å; S348-L352 PolarHBondContact O-N 3.2Å; S348-M402 CarbonylContact C-O 3.59Å; S348-M402 WeakPolarHBondContact CA-O 3.11Å; S348-G405 WeakPolarHBondContact CB-O 3.35Å
349E92.7Very high91.5Very high54 Ų5458.1 Ų58.125%0.25233%0.333SS..Hα-helixtrans-59.9-40.5172.1-179169.4-157.100111.1L351 L352 H353 Q381 V401 M402E349-L351 VanDerWaalsContact C-N 3.33Å; E349-L351 PolarHBondContact O-N 3.24Å; E349-L352 WeakPolarHBondContact O-CB 3.45Å; E349-L352 PolarHBondContact O-N 3.01Å; E349-H353 PolarHBondContact O-N 2.96Å; E349-H353 VanDerWaalsContact O-N 3.09Å; E349-H353 PolarHBondContact O-ND1 3.05Å; E349-H353 IonicContact OE1-CE1 3.87Å; E349-Q381 WeakPolarHBondContact OE2-CG 3.39Å; E349-Q381 PolarHBondContact OE2-NE2 3.08Å; E349-V401 HydrophobicContact CB-CG1 3.96Å; E349-M402 WeakPolarHBondContact CB-O 3.45Å; E349-M402 PolarHBondContact N-O 3.27Å
350E91.7Very high91.4Very high154 Ų15459.7 Ų59.772%0.7234%0.341SS*.Hα-helixtrans-57.4-45.4174.1-174.3-176171.500111.8S348 H353 R354S348-E350 VanDerWaalsContact C-N 3.28Å; S348-E350 PolarHBondContact O-N 2.62Å; E350-H353 PolarHBondContact O-N 3.02Å; E350-R354 WeakPolarHBondContact O-CB 3.3Å; E350-R354 PolarHBondContact O-N 2.9Å
351L93.9Very high91.6Very high14 Ų1457.9 Ų57.97%0.07333%0.328CS..Hα-helixtrans-65.5-40.9178.6-174.366.5000112.1I347 S348 E349 H353 R354 L355 P408I347-L351 HydrophobicContact CB-CD2 4.18Å; I347-L351 HydrophobicContact CG2-CD2 4.03Å; S348-L351 PolarHBondContact O-N 3.2Å; S348-L351 VanDerWaalsContact OG-CB 3.3Å; S348-L351 WeakPolarHBondContact OG-CB 3.4Å; S348-L351 PolarHBondContact OG-N 2.61Å; S348-L351 VanDerWaalsContact OG-N 3.07Å; E349-L351 VanDerWaalsContact C-N 3.33Å; E349-L351 PolarHBondContact O-N 3.24Å; L351-H353 VanDerWaalsContact C-N 3.32Å; L351-H353 PolarHBondContact O-N 3.48Å; L351-R354 PolarHBondContact O-N 2.85Å; L351-L355 HydrophobicContact CD1-CD1 3.84Å; L351-L355 HydrophobicContact CD1-CD2 4.2Å; L351-L355 HydrophobicContact CD1-CG 3.81Å; L351-L355 HydrophobicContact CD2-CD1 4.24Å; L351-L355 HydrophobicContact CG-CD1 3.76Å; L351-L355 HydrophobicContact CG-CG 4.06Å; L351-L355 WeakPolarHBondContact O-CG 3.22Å; L351-L355 PolarHBondContact O-N 2.92Å; L351-P408 HydrophobicContact CD2-CG 3.38Å
352L94.5Very high91.9Very high2 Ų258.5 Ų58.51%0.0133%0.334CS..Hα-helixtrans-54.8-50174.9-178.783.5000110.8I347 S348 E349 R354 W356 P361 L363 F384 V401I347-L352 HydrophobicContact CD1-CB 4.15Å; I347-L352 HydrophobicContact CD1-CD1 3.99Å; S348-L352 PolarHBondContact O-N 3.2Å; E349-L352 WeakPolarHBondContact O-CB 3.45Å; E349-L352 PolarHBondContact O-N 3.01Å; L352-R354 VanDerWaalsContact C-N 3.32Å; L352-R354 PolarHBondContact O-N 3.45Å; L352-W356 HydrophobicContact CD1-CE3 3.76Å; L352-W356 HydrophobicContact CD1-CZ3 3.9Å; L352-W356 HydrophobicContact CG-CE3 4.39Å; L352-W356 PolarHBondContact O-N 3Å; L352-W356 VanDerWaalsContact O-N 3.12Å; L352-P361 HydrophobicContact CD1-CG 4.13Å; L352-L363 HydrophobicContact CD2-CD1 4.25Å; L352-L363 HydrophobicContact CD2-CD2 4.2Å; L352-F384 HydrophobicContact CD1-CD1 4.34Å; L352-F384 HydrophobicContact CD1-CE1 3.56Å; L352-F384 HydrophobicContact CD1-CZ 3.9Å; L352-V401 HydrophobicContact CB-CG1 4.45Å; L352-V401 HydrophobicContact CD1-CG2 4.21Å; L352-V401 HydrophobicContact CD2-CG1 4.25Å; L352-V401 HydrophobicContact CD2-CG2 4.24Å
353H92.3Very high92Very high85 Ų8560.8 Ų60.839%0.39435%0.345SS..Hα-helixtrans-65.6-36.2179.8-71.386.4000112E349 E350 L351 K357E349-H353 PolarHBondContact O-N 2.96Å; E349-H353 VanDerWaalsContact O-N 3.09Å; E349-H353 PolarHBondContact O-ND1 3.05Å; E349-H353 IonicContact OE1-CE1 3.87Å; E350-H353 PolarHBondContact O-N 3.02Å; L351-H353 VanDerWaalsContact C-N 3.32Å; L351-H353 PolarHBondContact O-N 3.48Å; H353-K357 WeakPolarHBondContact O-CA 3.36Å; H353-K357 WeakPolarHBondContact O-CB 3.41Å; H353-K357 PolarHBondContact O-N 3.13Å
354R93.1Very high92.2Very high179 Ų17965.1 Ų65.168%0.67535%0.354SS*.Hα-helixtrans-67.5-45.5178.7-173.4169.667.3105.8-4.1112.6E350 L351 L352E350-R354 WeakPolarHBondContact O-CB 3.3Å; E350-R354 PolarHBondContact O-N 2.9Å; L351-R354 PolarHBondContact O-N 2.85Å; L352-R354 VanDerWaalsContact C-N 3.32Å; L352-R354 PolarHBondContact O-N 3.45Å
355L93.3Very high92.1Very high46 Ų4674.7 Ų74.724%0.24139%0.388CS..Hα-helixtrans-80.7-33-173.6-63-177.6000113.3V332 I334 L351V332-L355 HydrophobicContact CG1-CB 4.43Å; V332-L355 HydrophobicContact CG1-CD1 4.3Å; V332-L355 HydrophobicContact CG1-CD2 4.05Å; V332-L355 HydrophobicContact CG1-CG 4.48Å; I334-L355 HydrophobicContact CD1-CD1 3.45Å; I334-L355 VanDerWaalsContact CD1-CD1 3.45Å; I334-L355 HydrophobicContact CG1-CD1 3.71Å; L351-L355 HydrophobicContact CD1-CD1 3.84Å; L351-L355 HydrophobicContact CD1-CD2 4.2Å; L351-L355 HydrophobicContact CD1-CG 3.81Å; L351-L355 HydrophobicContact CD2-CD1 4.24Å; L351-L355 HydrophobicContact CG-CD1 3.76Å; L351-L355 HydrophobicContact CG-CG 4.06Å; L351-L355 WeakPolarHBondContact O-CG 3.22Å; L351-L355 PolarHBondContact O-N 2.92Å
356W93.6Very high91.4Very high21 Ų2176 Ų768%0.0840%0.397CS..SBendtrans-123.834.1-174.7-59.4-76.4000113.6V329 N330 V332 I334 I347 L352 G358 S359 L360 F384V329-W356 HydrophobicContact CB-CZ2 4.31Å; V329-W356 HydrophobicContact CG1-CH2 4.18Å; V329-W356 HydrophobicContact CG1-CZ2 4.05Å; V329-W356 WeakPolarHBondContact O-CZ2 3.25Å; N330-W356 HydrophobicContact CB-CZ2 4.21Å; V332-W356 HydrophobicContact CB-CZ2 4.44Å; I334-W356 HydrophobicContact CD1-CH2 3.49Å; I334-W356 VanDerWaalsContact CD1-CH2 3.49Å; I334-W356 HydrophobicContact CD1-CZ2 3.93Å; I334-W356 HydrophobicContact CD1-CZ3 4.47Å; I347-W356 HydrophobicContact CD1-CH2 4.41Å; I347-W356 HydrophobicContact CD1-CZ3 3.86Å; L352-W356 HydrophobicContact CD1-CE3 3.76Å; L352-W356 HydrophobicContact CD1-CZ3 3.9Å; L352-W356 HydrophobicContact CG-CE3 4.39Å; L352-W356 PolarHBondContact O-N 3Å; L352-W356 VanDerWaalsContact O-N 3.12Å; W356-G358 PolarHBondContact O-N 2.94Å; W356-S359 CarbonylContact O-C 3.58Å; W356-S359 PolarHBondContact O-N 3.28Å; W356-L360 WeakPolarHBondContact O-CD1 3.45Å; W356-L360 PolarHBondContact O-N 3.31Å; W356-F384 HydrophobicContact CH2-CZ 4.45Å; W356-F384 HydrophobicContact CZ3-CZ 4.39Å
357K83.7Confident90.8Very high179 Ų17979.9 Ų79.978%0.77843%0.426SS*.THydrogen-bonded Turntrans-48.2-37.1-179.9-166.3177.5179.4-179.50114H353H353-K357 WeakPolarHBondContact O-CA 3.36Å; H353-K357 WeakPolarHBondContact O-CB 3.41Å; H353-K357 PolarHBondContact O-N 3.13Å
358G82.5Confident90.2Very high87 Ų8783.8 Ų83.890%0.89745%0.446SS*.THydrogen-bonded Turntrans-81.7-16.5-179.700000115.4W356W356-G358 PolarHBondContact O-N 2.94Å
359S88.5Confident89.6Confident96 Ų9692.5 Ų92.567%0.67148%0.483SS*.SBendtrans-157.276.3-178.9175.90000110.1W356 P361W356-S359 CarbonylContact O-C 3.58Å; W356-S359 PolarHBondContact O-N 3.28Å; S359-P361 WeakPolarHBondContact O-CD 3.41Å
360L89.7Confident89.2Confident82 Ų8291.4 Ų91.443%0.42948%0.479SS..PPolyproline II helixtrans-64.9129.4-178.9-88.188.8000111.6W356 G362W356-L360 WeakPolarHBondContact O-CD1 3.45Å; W356-L360 PolarHBondContact O-N 3.31Å; L360-G362 PolarHBondContact O-N 3.36Å
361P91Very high88.8Confident25 Ų2590.4 Ų90.416%0.16247%0.468CS..PPolyproline II helixtrans-60.3134.9170.7-2333.3000112.1L352 S359 L363 F384L352-P361 HydrophobicContact CD1-CG 4.13Å; S359-P361 WeakPolarHBondContact O-CD 3.41Å; P361-L363 PolarHBondContact O-N 2.8Å; P361-F384 HydrophobicContact CB-CB 4Å; P361-F384 HydrophobicContact CB-CD1 4.11Å; P361-F384 HydrophobicContact CB-CD2 3.53Å; P361-F384 HydrophobicContact CB-CE1 4.46Å; P361-F384 HydrophobicContact CB-CE2 3.93Å; P361-F384 HydrophobicContact CB-CG 3.61Å; P361-F384 HydrophobicContact CB-CZ 4.36Å; P361-F384 HydrophobicContact CG-CD2 3.92Å; P361-F384 HydrophobicContact CG-CE2 3.77Å; P361-F384 HydrophobicContact CG-CG 4.33Å; P361-F384 HydrophobicContact CG-CZ 4.06Å
362G92.1Very high88.2Confident71 Ų7191.8 Ų91.873%0.73248%0.477SS*.PPolyproline II helixtrans-67.6119.3173.500000111.6L360L360-G362 PolarHBondContact O-N 3.36Å
363L94.3Very high87.1Confident66 Ų66103.5 Ų103.535%0.34652%0.522SS..PPolyproline II helixtrans-82.3122.7-179-59-175.4000111.9L352 P361 Q381 F384 V401L352-L363 HydrophobicContact CD2-CD1 4.25Å; L352-L363 HydrophobicContact CD2-CD2 4.2Å; P361-L363 PolarHBondContact O-N 2.8Å; L363-Q381 HydrophobicContact CD1-CB 4.17Å; L363-F384 HydrophobicContact CD2-CB 4.37Å; L363-F384 HydrophobicContact CD2-CD1 3.72Å; L363-F384 HydrophobicContact CD2-CG 4.46Å; L363-V401 HydrophobicContact CD1-CB 4.3Å; L363-V401 HydrophobicContact CD1-CG1 4.45Å; L363-V401 HydrophobicContact CD1-CG2 4.43Å; L363-V401 HydrophobicContact CD2-CB 4.39Å; L363-V401 HydrophobicContact CD2-CG2 3.71Å
364K93.6Very high86.5Confident143 Ų143103.3 Ų103.362%0.62253%0.53SS*.BIsolated β-bridgetrans-75.8127.9166.5-176.4-177.7176.2-1730109.3S366 G382 S383K364-S366 PolarHBondContact O-N 3.17Å; K364-G382 CarbonylContact O-C 3.58Å; K364-G382 WeakPolarHBondContact O-CA 3.07Å; K364-S383 WeakPolarHBondContact CB-O 3.33Å; K364-S383 PolarHBondContact N-O 3.45Å; K364-S383 PolarHBondContact O-N 3.49Å
365R90.8Very high85.8Confident231 Ų231100.5 Ų100.587%0.87252%0.524SS*.PPolyproline II helixtrans-58.3124.5175.2-173176.5179.8177.72110.7
366S83.3Confident85.2Confident27 Ų27104 Ų10419%0.18954%0.539CS..PPolyproline II helixtrans-95.9141.3175.1-175.90000111K364 L368K364-S366 PolarHBondContact O-N 3.17Å; S366-L368 WeakPolarHBondContact OG-CB 3.28Å; S366-L368 VanDerWaalsContact OG-CG 3.31Å; S366-L368 WeakPolarHBondContact OG-CG 3.4Å; S366-L368 PolarHBondContact OG-N 2.99Å
367S82.6Confident84.6Confident103 Ų103112.2 Ų112.272%0.7257%0.57SS**  trans-99.94.617060.10000112.6K369S367-K369 PolarHBondContact O-N 3.14Å
368L83.8Confident84.5Confident84 Ų84106.5 Ų106.544%0.4455%0.547SS..  trans-65.5133.3-177.7-64.2177.5000110.5L344 S366 I370 F400L344-L368 HydrophobicContact CD1-CD1 3.71Å; S366-L368 WeakPolarHBondContact OG-CB 3.28Å; S366-L368 VanDerWaalsContact OG-CG 3.31Å; S366-L368 WeakPolarHBondContact OG-CG 3.4Å; S366-L368 PolarHBondContact OG-N 2.99Å; L368-I370 HydrophobicContact CB-CG1 4.29Å; L368-F400 HydrophobicContact CD1-CD1 4.16Å; L368-F400 HydrophobicContact CD1-CE1 3.39Å; L368-F400 HydrophobicContact CD1-CZ 3.73Å
369K80.4Confident84.5Confident194 Ų194106.5 Ų106.584%0.84353%0.53SS*.  trans-99.494.2170.3-64.6-178.9-178178.60107.4S367S367-K369 PolarHBondContact O-N 3.14Å
370I83.9Confident84.6Confident31 Ų31102.9 Ų102.916%0.15950%0.504CS..EExtended strand (participates in β ladder)trans-85.2141.2178.7-56.1-174000109.2L344 L346 L368 M378 V380 M402L344-I370 HydrophobicContact CD1-CD1 3.38Å; L344-I370 HydrophobicContact CD1-CG1 4.16Å; L346-I370 HydrophobicContact CD2-CD1 4.29Å; L368-I370 HydrophobicContact CB-CG1 4.29Å; I370-M378 HydrophobicContact CB-CB 4.43Å; I370-M378 HydrophobicContact CG2-CB 4.4Å; I370-M378 PolarHBondContact O-N 3.42Å; I370-V380 HydrophobicContact CB-CG2 4.3Å; I370-V380 HydrophobicContact CD1-CG2 3.23Å; I370-V380 HydrophobicContact CG1-CG2 3.61Å; I370-M402 HydrophobicContact CD1-SD 4.19Å
371R83Confident84.6Confident132 Ų132102.2 Ų102.250%0.49850%0.498SS..EExtended strand (participates in β ladder)trans-126.5148.4171.8-61.2-175.1-173.7179.1-0.3110.5Q375 E376R371-Q375 VanDerWaalsContact CD-OE1 3.23Å; R371-E376 CarbonylContact C-O 3.52Å; R371-E376 WeakPolarHBondContact CA-O 3.17Å
372T81.7Confident84.7Confident43 Ų43101 Ų10126%0.26449%0.491SS..  trans-70.2171.8164.266.10000109.9S374 Q375 E376 M378T372-S374 PolarHBondContact O-N 3.39Å; T372-S374 PolarHBondContact OG1-N 3.39Å; T372-S374 PolarHBondContact OG1-OG 3.03Å; T372-Q375 PolarHBondContact O-N 3.15Å; T372-Q375 VanDerWaalsContact O-N 3.07Å; T372-E376 HydrophobicContact CG2-CB 4.07Å; T372-E376 PolarHBondContact N-O 3.43Å; T372-E376 VanDerWaalsContact OG1-CB 3.3Å; T372-E376 WeakPolarHBondContact OG1-CB 3.25Å; T372-E376 PolarHBondContact OG1-N 2.65Å; T372-E376 VanDerWaalsContact OG1-N 3.1Å; T372-M378 HydrophobicContact CG2-CG 3.68Å; T372-M378 HydrophobicContact CG2-SD 3.78Å
373W72.9Confident84.9Confident249 Ų24997.8 Ų97.894%0.94346%0.457SS*.THydrogen-bonded Turntrans-55.8-36.5171.5179.187000112.5Q375W373-Q375 PolarHBondContact O-N 3Å
374S78.2Confident85Confident81 Ų8195.1 Ų95.157%0.56644%0.442SS*.THydrogen-bonded Turntrans-78.211.6176.860.30000114.9T372 E376T372-S374 PolarHBondContact O-N 3.39Å; T372-S374 PolarHBondContact OG1-N 3.39Å; T372-S374 PolarHBondContact OG1-OG 3.03Å; S374-E376 PolarHBondContact O-N 2.98Å
375Q79.2Confident85.2Confident119 Ų11993.9 Ų93.956%0.55644%0.439SS*.  trans68.96.8-177-54.9-68.1-30.800115.7R371 T372 W373R371-Q375 VanDerWaalsContact CD-OE1 3.23Å; T372-Q375 PolarHBondContact O-N 3.15Å; T372-Q375 VanDerWaalsContact O-N 3.07Å; W373-Q375 PolarHBondContact O-N 3Å
376E80.8Confident85.4Confident119 Ų11982.9 Ų82.956%0.55640%0.397SS*.PPolyproline II helixtrans-64.4136.6174.1-170.4-174.817300110.3R371 T372 S374R371-E376 CarbonylContact C-O 3.52Å; R371-E376 WeakPolarHBondContact CA-O 3.17Å; T372-E376 HydrophobicContact CG2-CB 4.07Å; T372-E376 PolarHBondContact N-O 3.43Å; T372-E376 VanDerWaalsContact OG1-CB 3.3Å; T372-E376 WeakPolarHBondContact OG1-CB 3.25Å; T372-E376 PolarHBondContact OG1-N 2.65Å; T372-E376 VanDerWaalsContact OG1-N 3.1Å; S374-E376 PolarHBondContact O-N 2.98Å
377R80.5Confident86.1Confident194 Ų19483.9 Ų83.973%0.73241%0.407SS*.EExtended strand (participates in β ladder)trans-85124.8-178.5-68.8-178.1-179.5169.52.6110.7
378M81.9Confident86.8Confident59 Ų5979.1 Ų79.129%0.29137%0.374SS..EExtended strand (participates in β ladder)trans-101.6143177.8-59-68.2-76.600111.2I370 T372 M402I370-M378 HydrophobicContact CB-CB 4.43Å; I370-M378 HydrophobicContact CG2-CB 4.4Å; I370-M378 PolarHBondContact O-N 3.42Å; T372-M378 HydrophobicContact CG2-CG 3.68Å; T372-M378 HydrophobicContact CG2-SD 3.78Å; M378-M402 HydrophobicContact CB-CE 3.32Å; M378-M402 HydrophobicContact CE-CE 4.33Å; M378-M402 HydrophobicContact CG-CE 4.36Å
379T83.6Confident87.4Confident87 Ų8777.8 Ų77.853%0.53437%0.365SS..  trans-95113.4-179.7-580000111.2M402 R403T379-M402 WeakPolarHBondContact O-CE 3.44Å; T379-R403 PolarHBondContact O-N 2.88Å; T379-R403 VanDerWaalsContact O-N 3.14Å
380V88.8Confident88.1Confident20 Ų2070 Ų7012%0.12133%0.331CS..EExtended strand (participates in β ladder)trans-86.7120.6172-170.20000108.8I370 F400 V401 M402I370-V380 HydrophobicContact CB-CG2 4.3Å; I370-V380 HydrophobicContact CD1-CG2 3.23Å; I370-V380 HydrophobicContact CG1-CG2 3.61Å; V380-F400 HydrophobicContact CG1-CB 4.47Å; V380-F400 HydrophobicContact CG1-CD1 4.03Å; V380-V401 CarbonylContact C-O 3.47Å; V380-M402 HydrophobicContact CB-SD 4.27Å; V380-M402 HydrophobicContact CG1-SD 4.45Å; V380-M402 HydrophobicContact CG2-CE 4.19Å; V380-M402 HydrophobicContact CG2-SD 3.75Å
381Q89.6Confident88.5Confident69 Ų6976.2 Ų76.232%0.32236%0.357SS..EExtended strand (participates in β ladder)trans-71.7-38.4174.3-66.7-68.58.600111.1E349 L363 V401 R403E349-Q381 WeakPolarHBondContact OE2-CG 3.39Å; E349-Q381 PolarHBondContact OE2-NE2 3.08Å; L363-Q381 HydrophobicContact CD1-CB 4.17Å; Q381-V401 HydrophobicContact CB-CG1 4.43Å; Q381-V401 PolarHBondContact N-O 2.69Å; Q381-R403 HydrophobicContact CG-CB 4.13Å; Q381-R403 VanDerWaalsContact NE2-CG 3.31Å
382G94Very high88.8Confident0 Ų075.3 Ų75.30%037%0.371CS..EExtended strand (participates in β ladder)trans169.2-164.717600000111.7K364 V401K364-G382 CarbonylContact O-C 3.58Å; K364-G382 WeakPolarHBondContact O-CA 3.07Å; G382-V401 PolarHBondContact O-N 3.46Å
383S95.8Very high89.1Confident2 Ų276.1 Ų76.11%0.01438%0.376CS..EExtended strand (participates in β ladder)trans-136.6159.7173.158.70000111.2K364 E398 L399K364-S383 WeakPolarHBondContact CB-O 3.33Å; K364-S383 PolarHBondContact N-O 3.45Å; K364-S383 PolarHBondContact O-N 3.49Å; S383-E398 WeakPolarHBondContact CB-OE1 3.4Å; S383-E398 PolarHBondContact OG-OE1 3.16Å; S383-L399 CarbonylContact C-O 3.17Å; S383-L399 WeakPolarHBondContact CA-O 3.35Å; S383-L399 WeakPolarHBondContact CB-O 3.5Å
384F96.5Very high90.2Very high10 Ų1071.4 Ų71.44%0.04436%0.362CS..EExtended strand (participates in β ladder)trans-139.3159.3169.465.4-81.8000110.2I347 L352 W356 P361 L363 A386 E398 L399 V401I347-F384 HydrophobicContact CD1-CE1 4.22Å; I347-F384 HydrophobicContact CD1-CZ 4.4Å; L352-F384 HydrophobicContact CD1-CD1 4.34Å; L352-F384 HydrophobicContact CD1-CE1 3.56Å; L352-F384 HydrophobicContact CD1-CZ 3.9Å; W356-F384 HydrophobicContact CH2-CZ 4.45Å; W356-F384 HydrophobicContact CZ3-CZ 4.39Å; P361-F384 HydrophobicContact CB-CB 4Å; P361-F384 HydrophobicContact CB-CD1 4.11Å; P361-F384 HydrophobicContact CB-CD2 3.53Å; P361-F384 HydrophobicContact CB-CE1 4.46Å; P361-F384 HydrophobicContact CB-CE2 3.93Å; P361-F384 HydrophobicContact CB-CG 3.61Å; P361-F384 HydrophobicContact CB-CZ 4.36Å; P361-F384 HydrophobicContact CG-CD2 3.92Å; P361-F384 HydrophobicContact CG-CE2 3.77Å; P361-F384 HydrophobicContact CG-CG 4.33Å; P361-F384 HydrophobicContact CG-CZ 4.06Å; L363-F384 HydrophobicContact CD2-CB 4.37Å; L363-F384 HydrophobicContact CD2-CD1 3.72Å; L363-F384 HydrophobicContact CD2-CG 4.46Å; F384-A386 HydrophobicContact CD2-CB 4.17Å; F384-A386 HydrophobicContact CE2-CB 3.72Å; F384-E398 WeakPolarHBondContact O-CA 3.42Å; F384-L399 HydrophobicContact CE1-CB 4.16Å; F384-L399 HydrophobicContact CE1-CD2 4.13Å; F384-L399 HydrophobicContact CE1-CG 4.18Å; F384-L399 HydrophobicContact CE2-CD2 4.47Å; F384-L399 HydrophobicContact CZ-CB 4.17Å; F384-L399 HydrophobicContact CZ-CD2 3.71Å; F384-L399 HydrophobicContact CZ-CG 4.2Å; F384-L399 PolarHBondContact N-O 2.71Å; F384-L399 PolarHBondContact O-N 3.37Å; F384-V401 HydrophobicContact CD1-CG2 4.05Å; F384-V401 HydrophobicContact CE1-CG2 3.84Å
385Q97.1Very high91Very high117 Ų11769.1 Ų69.155%0.54735%0.346SS..EExtended strand (participates in β ladder)trans-82.6120.1171.8-66.3-61.8-52.800108.4
386A97.1Very high91.8Very high0 Ų069 Ų690%035%0.349CS..EExtended strand (participates in β ladder)trans-107.7137179.100000110.1V329 N330 F384 V388 N396 L397 L399V329-A386 HydrophobicContact CG1-CB 3.69Å; N330-A386 WeakPolarHBondContact OD1-CA 3.45Å; F384-A386 HydrophobicContact CD2-CB 4.17Å; F384-A386 HydrophobicContact CE2-CB 3.72Å; A386-V388 HydrophobicContact CB-CG2 4.05Å; A386-V388 PolarHBondContact O-N 2.94Å; A386-N396 CarbonylContact O-C 3.45Å; A386-N396 VanDerWaalsContact O-CA 3.28Å; A386-N396 WeakPolarHBondContact O-CA 3.36Å; A386-L397 PolarHBondContact N-O 3.2Å; A386-L397 PolarHBondContact O-N 2.87Å; A386-L399 HydrophobicContact CB-CB 4.29Å
387A97.2Very high92.6Very high48 Ų4864.4 Ų64.440%0.39733%0.328SS..EExtended strand (participates in β ladder)trans-77.6110.1166.900000108.4V329 N330 N396V329-A387 CarbonylContact C-O 3.56Å; V329-A387 WeakPolarHBondContact CA-O 3.34Å; N330-A387 PolarHBondContact N-O 3.42Å; N330-A387 PolarHBondContact OD1-N 3.08Å; A387-N396 VanDerWaalsContact CA-OD1 3.3Å; A387-N396 WeakPolarHBondContact CA-OD1 3.31Å
388V97.8Very high93.4Very high3 Ų358.4 Ų58.42%0.01831%0.309CS..EExtended strand (participates in β ladder)trans-113.3134.5-173.1-171.90000109.7M327 I328 V329 A386 K394 C395 L397 W414 F418M327-V388 HydrophobicContact CB-CG1 4.46Å; M327-V388 HydrophobicContact CE-CG1 3.72Å; I328-V388 CarbonylContact O-C 3.52Å; I328-V388 VanDerWaalsContact O-CA 3.3Å; I328-V388 WeakPolarHBondContact O-CA 3.42Å; V329-V388 HydrophobicContact CG2-CG1 4.35Å; V329-V388 HydrophobicContact CG2-CG2 4.5Å; A386-V388 HydrophobicContact CB-CG2 4.05Å; A386-V388 PolarHBondContact O-N 2.94Å; V388-K394 CarbonylContact O-C 3.4Å; V388-K394 WeakPolarHBondContact O-CA 3.4Å; V388-C395 PolarHBondContact N-O 3.38Å; V388-C395 PolarHBondContact O-N 3.31Å; V388-L397 HydrophobicContact CG2-CB 4.37Å; V388-W414 HydrophobicContact CB-CH2 4.48Å; V388-W414 HydrophobicContact CB-CZ3 4.36Å; V388-W414 HydrophobicContact CG1-CE3 4.26Å; V388-W414 HydrophobicContact CG1-CH2 4.27Å; V388-W414 HydrophobicContact CG1-CZ3 3.71Å; V388-W414 HydrophobicContact CG2-CH2 3.4Å; V388-W414 VanDerWaalsContact CG2-CH2 3.4Å; V388-W414 HydrophobicContact CG2-CZ2 3.99Å; V388-W414 HydrophobicContact CG2-CZ3 3.73Å; V388-F418 HydrophobicContact CB-CZ 3.88Å; V388-F418 HydrophobicContact CG1-CE1 4.34Å; V388-F418 HydrophobicContact CG1-CE2 3.98Å; V388-F418 HydrophobicContact CG1-CZ 3.44Å; V388-F418 VanDerWaalsContact CG1-CZ 3.44Å
389Q96.2Very high94.1Very high57 Ų5755.6 Ų55.627%0.26630%0.295SS..EExtended strand (participates in β ladder)trans-125.2131.7171.5172.5179.8-300110.1I328 K391 V393 K394I328-Q389 HydrophobicContact CB-CB 4.16Å; I328-Q389 PolarHBondContact N-O 2.85Å; I328-Q389 PolarHBondContact O-N 3.49Å; Q389-K391 PolarHBondContact NE2-O 3.44Å; Q389-V393 WeakPolarHBondContact CA-O 3.42Å; Q389-K394 HydrophobicContact CB-CG 3.96Å; Q389-K394 HydrophobicContact CG-CG 3.89Å
390F94.9Very high94.7Very high29 Ų2952 Ų5213%0.12727%0.272CS..EExtended strand (participates in β ladder)trans-139.2122169.8179.2-114.4000109L325 S326 M327 S392 V393 F418L325-F390 HydrophobicContact CB-CE2 4.32Å; L325-F390 HydrophobicContact CD1-CZ 4.11Å; L325-F390 HydrophobicContact CD2-CE2 4.24Å; L325-F390 HydrophobicContact CD2-CZ 3.92Å; L325-F390 HydrophobicContact CG-CZ 4.45Å; S326-F390 WeakPolarHBondContact O-CD2 3.29Å; M327-F390 HydrophobicContact CE-CB 3.64Å; M327-F390 HydrophobicContact CE-CG 4.13Å; M327-F390 HydrophobicContact CG-CB 4.27Å; M327-F390 HydrophobicContact CG-CD2 3.85Å; M327-F390 HydrophobicContact CG-CG 4.3Å; F390-S392 PolarHBondContact O-N 3.45Å; F390-V393 PolarHBondContact N-O 2.83Å; F390-V393 PolarHBondContact O-N 3Å; F390-F418 HydrophobicContact CB-CD1 3.66Å; F390-F418 HydrophobicContact CB-CE1 3.85Å; F390-F418 HydrophobicContact CB-CG 4.25Å; F390-F418 HydrophobicContact CD1-CB 4.06Å; F390-F418 HydrophobicContact CD1-CD1 4.27Å; F390-F418 HydrophobicContact CD1-CG 4.33Å; F390-F418 HydrophobicContact CG-CD1 4.45Å
391K91.3Very high95Very high162 Ų16251 Ų5170%0.70427%0.266SS*.THydrogen-bonded Turntrans52.5-125.2-169.7-56.9179.2176.4-179.20110.4Q389Q389-K391 PolarHBondContact NE2-O 3.44Å
392S89.2Confident95.1Very high113 Ų11348 Ų4879%0.7925%0.252SS*.THydrogen-bonded Turntrans-85.1-10178.9540000114.3F390F390-S392 PolarHBondContact O-N 3.45Å
393V89.2Confident94.6Very high60 Ų6055.5 Ų55.536%0.36428%0.28SS..EExtended strand (participates in β ladder)trans-92.1130.7-175.5-178.60000110.2Q389 F390 F418Q389-V393 WeakPolarHBondContact CA-O 3.42Å; F390-V393 PolarHBondContact N-O 2.83Å; F390-V393 PolarHBondContact O-N 3Å; V393-F418 HydrophobicContact CB-CD1 4.13Å; V393-F418 HydrophobicContact CB-CE1 4.36Å; V393-F418 HydrophobicContact CG1-CD1 4.02Å; V393-F418 HydrophobicContact CG1-CE1 4.08Å
394K95Very high93.8Very high150 Ų15061.9 Ų61.965%0.65231%0.314SS*.EExtended strand (participates in β ladder)trans-123.9130.2173.2-57.4-170.9-177.1-167.70109.8V388 Q389V388-K394 CarbonylContact O-C 3.4Å; V388-K394 WeakPolarHBondContact O-CA 3.4Å; Q389-K394 HydrophobicContact CB-CG 3.96Å; Q389-K394 HydrophobicContact CG-CG 3.89Å
395C94.9Very high92.7Very high34 Ų3462.7 Ų62.723%0.2333%0.325CS..EExtended strand (participates in β ladder)trans-154.7158.7176.357.30000111.9V388 F418V388-C395 PolarHBondContact N-O 3.38Å; V388-C395 PolarHBondContact O-N 3.31Å; C395-F418 WeakPolarHBondContact SG-CZ 3.4Å
396N97.2Very high92Very high115 Ų11560.2 Ų60.262%0.61533%0.331SS*.EExtended strand (participates in β ladder)trans-92.8123172.5-72.4-16.2000109.4A386 A387A386-N396 CarbonylContact O-C 3.45Å; A386-N396 VanDerWaalsContact O-CA 3.28Å; A386-N396 WeakPolarHBondContact O-CA 3.36Å; A387-N396 VanDerWaalsContact CA-OD1 3.3Å; A387-N396 WeakPolarHBondContact CA-OD1 3.31Å
397L97.3Very high91.7Very high24 Ų2467.3 Ų67.313%0.12636%0.357CS..EExtended strand (participates in β ladder)trans-132.9152.9-177.2-61.9174.3000111.6A386 V388 L399 W414 F418A386-L397 PolarHBondContact N-O 3.2Å; A386-L397 PolarHBondContact O-N 2.87Å; V388-L397 HydrophobicContact CG2-CB 4.37Å; L397-L399 PolarHBondContact O-N 2.8Å; L397-W414 HydrophobicContact CB-CD2 4.3Å; L397-W414 HydrophobicContact CB-CZ2 3.87Å; L397-W414 HydrophobicContact CD1-CB 4.26Å; L397-W414 HydrophobicContact CD1-CD2 3.69Å; L397-W414 HydrophobicContact CD1-CE3 4.24Å; L397-W414 HydrophobicContact CD1-CG 3.7Å; L397-F418 HydrophobicContact CD1-CD2 4.35Å; L397-F418 HydrophobicContact CD1-CE2 3.33Å; L397-F418 HydrophobicContact CD1-CZ 3.72Å
398E96.7Very high91.7Very high68 Ų6865.9 Ų65.932%0.31834%0.344SS..EExtended strand (participates in β ladder)trans-76.5123.6176.8-165.3166.4-141.200110.6S383 F384 F400 W414S383-E398 WeakPolarHBondContact CB-OE1 3.4Å; S383-E398 PolarHBondContact OG-OE1 3.16Å; F384-E398 WeakPolarHBondContact O-CA 3.42Å; E398-F400 HydrophobicContact CB-CE2 4.28Å; E398-F400 HydrophobicContact CG-CD2 4.44Å; E398-F400 HydrophobicContact CG-CE2 3.78Å; E398-F400 HydrophobicContact CG-CZ 3.83Å; E398-F400 VanDerWaalsContact OE2-CZ 3.32Å; E398-F400 WeakPolarHBondContact OE2-CZ 3.23Å; E398-W414 PolarHBondContact O-NE1 3.43Å
399L97.2Very high91.6Very high0 Ų067.7 Ų67.70%035%0.354CS..EExtended strand (participates in β ladder)trans-112131.2173.9-174.755.1000109.5V329 F336 T345 I347 S383 F384 A386 L397 W414V329-L399 HydrophobicContact CG1-CD2 4.06Å; F336-L399 HydrophobicContact CE1-CD1 4.29Å; T345-L399 HydrophobicContact CG2-CD1 3.53Å; I347-L399 HydrophobicContact CD1-CD2 3.87Å; I347-L399 HydrophobicContact CD1-CG 4.33Å; I347-L399 HydrophobicContact CG1-CD2 4.14Å; I347-L399 HydrophobicContact CG1-CG 4.14Å; I347-L399 HydrophobicContact CG2-CD1 4.27Å; I347-L399 HydrophobicContact CG2-CD2 4.22Å; S383-L399 CarbonylContact C-O 3.17Å; S383-L399 WeakPolarHBondContact CA-O 3.35Å; S383-L399 WeakPolarHBondContact CB-O 3.5Å; F384-L399 HydrophobicContact CE1-CB 4.16Å; F384-L399 HydrophobicContact CE1-CD2 4.13Å; F384-L399 HydrophobicContact CE1-CG 4.18Å; F384-L399 HydrophobicContact CE2-CD2 4.47Å; F384-L399 HydrophobicContact CZ-CB 4.17Å; F384-L399 HydrophobicContact CZ-CD2 3.71Å; F384-L399 HydrophobicContact CZ-CG 4.2Å; F384-L399 PolarHBondContact N-O 2.71Å; F384-L399 PolarHBondContact O-N 3.37Å; A386-L399 HydrophobicContact CB-CB 4.29Å; L397-L399 PolarHBondContact O-N 2.8Å; L399-W414 HydrophobicContact CB-CH2 4.42Å; L399-W414 HydrophobicContact CB-CZ2 3.99Å; L399-W414 HydrophobicContact CD1-CH2 4.12Å; L399-W414 HydrophobicContact CD1-CZ2 4.04Å; L399-W414 HydrophobicContact CD2-CH2 4.49Å
400F96.2Very high91.6Very high11 Ų1165 Ų655%0.04834%0.341CS..EExtended strand (participates in β ladder)trans-102.4142.3-177.3-67.3-94.6000111.6L344 T345 L346 I347 L368 V380 E398L344-F400 HydrophobicContact CB-CD2 4.03Å; L344-F400 HydrophobicContact CB-CE2 4.43Å; L344-F400 HydrophobicContact CD1-CD1 4.17Å; L344-F400 HydrophobicContact CD1-CD2 3.9Å; L344-F400 HydrophobicContact CD1-CE1 4.3Å; L344-F400 HydrophobicContact CD1-CE2 4.04Å; L344-F400 HydrophobicContact CD1-CG 3.98Å; L344-F400 HydrophobicContact CD1-CZ 4.23Å; L344-F400 HydrophobicContact CD2-CD2 4.3Å; L344-F400 HydrophobicContact CD2-CE2 3.85Å; L344-F400 HydrophobicContact CD2-CZ 4.29Å; L344-F400 HydrophobicContact CG-CD2 4.31Å; L344-F400 HydrophobicContact CG-CE2 4.33Å; T345-F400 PolarHBondContact O-N 2.93Å; T345-F400 VanDerWaalsContact O-N 3.16Å; L346-F400 WeakPolarHBondContact CA-O 3.35Å; L346-F400 HydrophobicContact CD2-CB 3.58Å; L346-F400 HydrophobicContact CD2-CG 4.4Å; I347-F400 PolarHBondContact N-O 2.82Å; L368-F400 HydrophobicContact CD1-CD1 4.16Å; L368-F400 HydrophobicContact CD1-CE1 3.39Å; L368-F400 HydrophobicContact CD1-CZ 3.73Å; V380-F400 HydrophobicContact CG1-CB 4.47Å; V380-F400 HydrophobicContact CG1-CD1 4.03Å; E398-F400 HydrophobicContact CB-CE2 4.28Å; E398-F400 HydrophobicContact CG-CD2 4.44Å; E398-F400 HydrophobicContact CG-CE2 3.78Å; E398-F400 HydrophobicContact CG-CZ 3.83Å; E398-F400 VanDerWaalsContact OE2-CZ 3.32Å; E398-F400 WeakPolarHBondContact OE2-CZ 3.23Å
401V94.9Very high91.6Very high0 Ų063.6 Ų63.60%034%0.335CS..EExtended strand (participates in β ladder)trans-111125.1-177.6-175.60000109.8I347 E349 L352 L363 V380 Q381 G382 F384I347-V401 HydrophobicContact CD1-CG2 4.29Å; I347-V401 HydrophobicContact CG1-CG2 4.11Å; I347-V401 WeakPolarHBondContact O-CA 3.48Å; E349-V401 HydrophobicContact CB-CG1 3.96Å; L352-V401 HydrophobicContact CB-CG1 4.45Å; L352-V401 HydrophobicContact CD1-CG2 4.21Å; L352-V401 HydrophobicContact CD2-CG1 4.25Å; L352-V401 HydrophobicContact CD2-CG2 4.24Å; L363-V401 HydrophobicContact CD1-CB 4.3Å; L363-V401 HydrophobicContact CD1-CG1 4.45Å; L363-V401 HydrophobicContact CD1-CG2 4.43Å; L363-V401 HydrophobicContact CD2-CB 4.39Å; L363-V401 HydrophobicContact CD2-CG2 3.71Å; V380-V401 CarbonylContact C-O 3.47Å; Q381-V401 HydrophobicContact CB-CG1 4.43Å; Q381-V401 PolarHBondContact N-O 2.69Å; G382-V401 PolarHBondContact O-N 3.46Å; F384-V401 HydrophobicContact CD1-CG2 4.05Å; F384-V401 HydrophobicContact CE1-CG2 3.84Å
402M91.5Very high91.7Very high5 Ų561.6 Ų61.63%0.02532%0.323CS..EExtended strand (participates in β ladder)trans-103.4139.7-179.7-59.4-56-63.500110.6L346 I347 S348 E349 I370 M378 T379 V380L346-M402 HydrophobicContact CB-CG 4.21Å; L346-M402 HydrophobicContact CD1-CG 4.24Å; L346-M402 HydrophobicContact CD1-SD 4.46Å; L346-M402 HydrophobicContact CD2-CG 4.29Å; L346-M402 HydrophobicContact CD2-SD 4.13Å; L346-M402 HydrophobicContact CG-CG 4.48Å; I347-M402 PolarHBondContact O-N 3.27Å; S348-M402 CarbonylContact C-O 3.59Å; S348-M402 WeakPolarHBondContact CA-O 3.11Å; E349-M402 WeakPolarHBondContact CB-O 3.45Å; E349-M402 PolarHBondContact N-O 3.27Å; I370-M402 HydrophobicContact CD1-SD 4.19Å; M378-M402 HydrophobicContact CB-CE 3.32Å; M378-M402 HydrophobicContact CE-CE 4.33Å; M378-M402 HydrophobicContact CG-CE 4.36Å; T379-M402 WeakPolarHBondContact O-CE 3.44Å; V380-M402 HydrophobicContact CB-SD 4.27Å; V380-M402 HydrophobicContact CG1-SD 4.45Å; V380-M402 HydrophobicContact CG2-CE 4.19Å; V380-M402 HydrophobicContact CG2-SD 3.75Å
403R84.7Confident91.9Very high158 Ų15858.9 Ų58.960%0.59631%0.307SS*.THydrogen-bonded Turntrans-61.8-51.2177.1-170.2177.3-172.2-166.7-0.5112.2T379 Q381T379-R403 PolarHBondContact O-N 2.88Å; T379-R403 VanDerWaalsContact O-N 3.14Å; Q381-R403 HydrophobicContact CG-CB 4.13Å; Q381-R403 VanDerWaalsContact NE2-CG 3.31Å
404N78.2Confident92.2Very high136 Ų13656.2 Ų56.273%0.72729%0.29SS*.THydrogen-bonded Turntrans-117.265-177.1-61.6-15.3000110.1
405G73.3Confident92.2Very high27 Ų2750.2 Ų50.228%0.27826%0.264SS..  trans-96148.5-177.900000113.1S348S348-G405 WeakPolarHBondContact CB-O 3.35Å
406G82.7Confident92.1Very high64 Ų6459.9 Ų59.966%0.6630%0.296SS*.  trans-84.2-139.516900000112.3
407R89.7Confident91.8Very high149 Ų14956.8 Ų56.856%0.56228%0.284SS*.SBendtrans-56.9151.5174.7-66.2177.6-179.6179.3-5.2111.3L409R407-L409 PolarHBondContact O-N 3.35Å
408P97.1Very high91.5Very high18 Ų1856.3 Ų56.312%0.11728%0.281CS..  trans-55.7130.6171.4-25.136.3000111.1I334 E335 F336 E337 L346 I347 L351I334-P408 HydrophobicContact CG2-CB 4.01Å; I334-P408 HydrophobicContact CG2-CG 3.78Å; E335-P408 WeakPolarHBondContact O-CB 3.49Å; E335-P408 WeakPolarHBondContact O-CG 3.48Å; F336-P408 WeakPolarHBondContact CA-O 3.45Å; F336-P408 HydrophobicContact CB-CB 4.46Å; F336-P408 HydrophobicContact CD1-CB 3.39Å; F336-P408 HydrophobicContact CE1-CB 3.69Å; F336-P408 HydrophobicContact CG-CB 3.95Å; F336-P408 HydrophobicContact CZ-CB 4.47Å; E337-P408 PolarHBondContact N-O 3.16Å; L346-P408 WeakPolarHBondContact O-CA 3.35Å; I347-P408 HydrophobicContact CG2-CB 3.99Å; I347-P408 HydrophobicContact CG2-CG 4.29Å; L351-P408 HydrophobicContact CD2-CG 3.38Å
409L95.8Very high91.3Very high42 Ų4260.1 Ų60.122%0.2230%0.303CS..EExtended strand (participates in β ladder)trans-108.7128.2178.4-65.5179.1000110E337 D339 T345 L346 R407E337-L409 HydrophobicContact CB-CD2 4.08Å; E337-L409 HydrophobicContact CG-CD2 4.24Å; D339-L409 HydrophobicContact CB-CD2 4.26Å; T345-L409 CarbonylContact C-O 3.59Å; T345-L409 WeakPolarHBondContact CA-O 3.32Å; T345-L409 WeakPolarHBondContact CG2-O 3.15Å; L346-L409 HydrophobicContact CB-CB 4.41Å; L346-L409 HydrophobicContact CD1-CD1 4.42Å; L346-L409 PolarHBondContact N-O 3.35Å; L346-L409 PolarHBondContact O-N 3.4Å; R407-L409 PolarHBondContact O-N 3.35Å
410L96.8Very high91Very high0 Ų061.5 Ų61.50%031%0.31CS..EExtended strand (participates in β ladder)trans-91.4101.2169.5-171.365.9000109.1L325 M327 F336 E337 V338 D339 T345 W414 F415 I420L325-L410 HydrophobicContact CB-CD2 4.44Å; L325-L410 HydrophobicContact CD1-CD2 3.79Å; M327-L410 HydrophobicContact SD-CD1 3.77Å; M327-L410 HydrophobicContact SD-CD2 4.11Å; F336-L410 HydrophobicContact CB-CB 3.66Å; F336-L410 HydrophobicContact CD1-CB 4.49Å; F336-L410 HydrophobicContact CG-CB 4.31Å; E337-L410 PolarHBondContact O-N 3.17Å; V338-L410 HydrophobicContact CG2-CD2 4.31Å; D339-L410 PolarHBondContact N-O 3.19Å; T345-L410 HydrophobicContact CG2-CD1 4.13Å; L410-W414 HydrophobicContact CD1-CB 3.75Å; L410-W414 HydrophobicContact CD1-CD2 4.08Å; L410-W414 HydrophobicContact CD1-CE3 3.54Å; L410-W414 HydrophobicContact CD1-CG 4.22Å; L410-W414 HydrophobicContact CD1-CZ3 4.41Å; L410-F415 HydrophobicContact CD2-CE1 4.42Å; L410-F415 HydrophobicContact CG-CD1 4.4Å; L410-F415 HydrophobicContact CG-CE1 4.06Å; L410-F415 WeakPolarHBondContact O-CE1 3.27Å; L410-I420 HydrophobicContact CD2-CD1 3.47Å; L410-I420 VanDerWaalsContact CD2-CD1 3.47Å; L410-I420 HydrophobicContact CG-CD1 4.46Å
411G94.7Very high90.6Very high0 Ų065.2 Ų65.20%034%0.343CS..  trans-89.3169.5179.200000113.3S342 L344 T345 A413 W414 F415S342-G411 WeakPolarHBondContact O-CA 3.39Å; L344-G411 WeakPolarHBondContact O-CA 3.41Å; L344-G411 PolarHBondContact O-N 2.87Å; T345-G411 PolarHBondContact OG1-N 2.73Å; G411-A413 PolarHBondContact O-N 2.92Å; G411-W414 PolarHBondContact O-N 3.49Å; G411-W414 VanDerWaalsContact O-N 3.1Å; G411-F415 WeakPolarHBondContact O-CD1 3.45Å; G411-F415 WeakPolarHBondContact O-CE1 3.44Å
412R93.9Very high90Very high120 Ų12069.5 Ų69.545%0.45337%0.365SS..Hα-helixtrans-53.9-27.3-177.7-63.1-171.3-56.8-79.80.9114.3S340 G341 S342 W414 F415S340-R412 VanDerWaalsContact O-CD 3.26Å; S340-R412 WeakPolarHBondContact O-CD 3.27Å; S340-R412 WeakPolarHBondContact O-CG 3.35Å; S340-R412 PolarHBondContact O-NH1 3.3Å; G341-R412 PolarHBondContact O-NH1 3.47Å; S342-R412 WeakPolarHBondContact O-CG 3.42Å; S342-R412 PolarHBondContact O-N 2.92Å; S342-R412 PolarHBondContact O-NH1 2.91Å; R412-W414 PolarHBondContact O-N 3.24Å; R412-W414 VanDerWaalsContact O-N 3.14Å; R412-F415 HydrophobicContact CB-CD2 4.48Å; R412-F415 HydrophobicContact CG-CD2 4.29Å; R412-F415 HydrophobicContact CG-CE2 4.07Å; R412-F415 PolarHBondContact O-N 2.66Å; R412-F415 VanDerWaalsContact O-N 3.17Å
413A92.6Very high89.5Confident55 Ų5574.4 Ų74.446%0.45540%0.399SS..Hα-helixtrans-55.1-29.3178.100000113.7A343 G411A343-A413 VanDerWaalsContact O-CB 3.31Å; A343-A413 WeakPolarHBondContact O-CB 3.31Å; A343-A413 PolarHBondContact O-N 2.94Å; G411-A413 PolarHBondContact O-N 2.92Å
414W96.7Very high88.9Confident4 Ų472.7 Ų72.72%0.01541%0.406CS..Hα-helixtrans-98.9-13.3-178.7-72.821.9000113.3M327 F336 T345 V388 L397 E398 L399 L410 G411 R412 R416 S417 F418M327-W414 HydrophobicContact CE-CE3 4.05Å; M327-W414 HydrophobicContact CE-CZ3 4.35Å; M327-W414 HydrophobicContact SD-CE3 4.2Å; M327-W414 HydrophobicContact SD-CZ3 4.32Å; F336-W414 HydrophobicContact CE2-CZ3 4.45Å; F336-W414 HydrophobicContact CZ-CH2 4.48Å; F336-W414 HydrophobicContact CZ-CZ3 4.25Å; T345-W414 HydrophobicContact CG2-CD2 3.81Å; T345-W414 HydrophobicContact CG2-CE3 3.84Å; T345-W414 HydrophobicContact CG2-CG 4.47Å; T345-W414 HydrophobicContact CG2-CH2 3.93Å; T345-W414 HydrophobicContact CG2-CZ2 3.92Å; T345-W414 HydrophobicContact CG2-CZ3 3.89Å; T345-W414 VanDerWaalsContact OG1-CD1 3.29Å; V388-W414 HydrophobicContact CB-CH2 4.48Å; V388-W414 HydrophobicContact CB-CZ3 4.36Å; V388-W414 HydrophobicContact CG1-CE3 4.26Å; V388-W414 HydrophobicContact CG1-CH2 4.27Å; V388-W414 HydrophobicContact CG1-CZ3 3.71Å; V388-W414 HydrophobicContact CG2-CH2 3.4Å; V388-W414 VanDerWaalsContact CG2-CH2 3.4Å; V388-W414 HydrophobicContact CG2-CZ2 3.99Å; V388-W414 HydrophobicContact CG2-CZ3 3.73Å; L397-W414 HydrophobicContact CB-CD2 4.3Å; L397-W414 HydrophobicContact CB-CZ2 3.87Å; L397-W414 HydrophobicContact CD1-CB 4.26Å; L397-W414 HydrophobicContact CD1-CD2 3.69Å; L397-W414 HydrophobicContact CD1-CE3 4.24Å; L397-W414 HydrophobicContact CD1-CG 3.7Å; E398-W414 PolarHBondContact O-NE1 3.43Å; L399-W414 HydrophobicContact CB-CH2 4.42Å; L399-W414 HydrophobicContact CB-CZ2 3.99Å; L399-W414 HydrophobicContact CD1-CH2 4.12Å; L399-W414 HydrophobicContact CD1-CZ2 4.04Å; L399-W414 HydrophobicContact CD2-CH2 4.49Å; L410-W414 HydrophobicContact CD1-CB 3.75Å; L410-W414 HydrophobicContact CD1-CD2 4.08Å; L410-W414 HydrophobicContact CD1-CE3 3.54Å; L410-W414 HydrophobicContact CD1-CG 4.22Å; L410-W414 HydrophobicContact CD1-CZ3 4.41Å; G411-W414 PolarHBondContact O-N 3.49Å; G411-W414 VanDerWaalsContact O-N 3.1Å; R412-W414 PolarHBondContact O-N 3.24Å; R412-W414 VanDerWaalsContact O-N 3.14Å; W414-R416 PolarHBondContact O-N 2.92Å; W414-S417 PolarHBondContact O-N 3.49Å; W414-F418 HydrophobicContact CB-CD2 4.25Å; W414-F418 HydrophobicContact CB-CE2 4.3Å; W414-F418 HydrophobicContact CD2-CE2 4.4Å; W414-F418 HydrophobicContact CE3-CE2 4.01Å; W414-F418 WeakPolarHBondContact O-CD2 3.45Å; W414-F418 PolarHBondContact O-N 3.09Å
415F94.7Very high88.3Confident24 Ų2469.6 Ų69.611%0.10539%0.394CS..Hα-helixtrans-59.3-45-172-73.49.8000112.5V338 L410 G411 R412 S417 F418 N419 I420 I422V338-F415 HydrophobicContact CG1-CE1 4.23Å; V338-F415 HydrophobicContact CG1-CZ 3.9Å; L410-F415 HydrophobicContact CD2-CE1 4.42Å; L410-F415 HydrophobicContact CG-CD1 4.4Å; L410-F415 HydrophobicContact CG-CE1 4.06Å; L410-F415 WeakPolarHBondContact O-CE1 3.27Å; G411-F415 WeakPolarHBondContact O-CD1 3.45Å; G411-F415 WeakPolarHBondContact O-CE1 3.44Å; R412-F415 HydrophobicContact CB-CD2 4.48Å; R412-F415 HydrophobicContact CG-CD2 4.29Å; R412-F415 HydrophobicContact CG-CE2 4.07Å; R412-F415 PolarHBondContact O-N 2.66Å; R412-F415 VanDerWaalsContact O-N 3.17Å; F415-S417 PolarHBondContact O-N 3.15Å; F415-F418 PolarHBondContact O-N 3.35Å; F415-N419 WeakPolarHBondContact O-CA 3.24Å; F415-N419 PolarHBondContact O-N 3.17Å; F415-I420 HydrophobicContact CB-CB 4.16Å; F415-I420 HydrophobicContact CD1-CB 4.26Å; F415-I420 HydrophobicContact CD1-CD1 4.28Å; F415-I420 HydrophobicContact CD1-CG2 4.21Å; F415-I420 HydrophobicContact CE1-CG2 4.47Å; F415-I420 HydrophobicContact CG-CB 4.18Å; F415-I420 HydrophobicContact CG-CG2 4.26Å; F415-I420 PolarHBondContact O-N 3.35Å; F415-I422 HydrophobicContact CE2-CD1 4.16Å
416R91.7Very high87.8Confident237 Ų23773.6 Ų73.689%0.89442%0.417SS*.G310 helixtrans-62.8-42.1-179.7-172.9-179-179.6107.41112.1W414 F418 N419W414-R416 PolarHBondContact O-N 2.92Å; R416-F418 PolarHBondContact O-N 3.01Å; R416-N419 PolarHBondContact O-N 3.46Å
417S92.2Very high86.5Confident51 Ų5179.6 Ų79.636%0.35742%0.421SS..G310 helixtrans-64.4-26.9-176.8-56.10000112.7W414 F415W414-S417 PolarHBondContact O-N 3.49Å; F415-S417 PolarHBondContact O-N 3.15Å
418F91.6Very high84.8Confident14 Ų1481.2 Ų81.26%0.06144%0.435CS..G310 helixtrans-113.19.8-178.8-61.7-64.4000113.9M327 V388 F390 V393 C395 L397 W414 F415 R416 I420M327-F418 HydrophobicContact CE-CD1 4.21Å; M327-F418 HydrophobicContact CE-CD2 3.37Å; M327-F418 HydrophobicContact CE-CE1 4.07Å; M327-F418 HydrophobicContact CE-CE2 3.22Å; M327-F418 HydrophobicContact CE-CG 3.88Å; M327-F418 HydrophobicContact CE-CZ 3.6Å; V388-F418 HydrophobicContact CB-CZ 3.88Å; V388-F418 HydrophobicContact CG1-CE1 4.34Å; V388-F418 HydrophobicContact CG1-CE2 3.98Å; V388-F418 HydrophobicContact CG1-CZ 3.44Å; V388-F418 VanDerWaalsContact CG1-CZ 3.44Å; F390-F418 HydrophobicContact CB-CD1 3.66Å; F390-F418 HydrophobicContact CB-CE1 3.85Å; F390-F418 HydrophobicContact CB-CG 4.25Å; F390-F418 HydrophobicContact CD1-CB 4.06Å; F390-F418 HydrophobicContact CD1-CD1 4.27Å; F390-F418 HydrophobicContact CD1-CG 4.33Å; F390-F418 HydrophobicContact CG-CD1 4.45Å; V393-F418 HydrophobicContact CB-CD1 4.13Å; V393-F418 HydrophobicContact CB-CE1 4.36Å; V393-F418 HydrophobicContact CG1-CD1 4.02Å; V393-F418 HydrophobicContact CG1-CE1 4.08Å; C395-F418 WeakPolarHBondContact SG-CZ 3.4Å; L397-F418 HydrophobicContact CD1-CD2 4.35Å; L397-F418 HydrophobicContact CD1-CE2 3.33Å; L397-F418 HydrophobicContact CD1-CZ 3.72Å; W414-F418 HydrophobicContact CB-CD2 4.25Å; W414-F418 HydrophobicContact CB-CE2 4.3Å; W414-F418 HydrophobicContact CD2-CE2 4.4Å; W414-F418 HydrophobicContact CE3-CE2 4.01Å; W414-F418 WeakPolarHBondContact O-CD2 3.45Å; W414-F418 PolarHBondContact O-N 3.09Å; F415-F418 PolarHBondContact O-N 3.35Å; R416-F418 PolarHBondContact O-N 3.01Å; F418-I420 HydrophobicContact CB-CD1 3.95Å; F418-I420 HydrophobicContact CB-CG1 3.93Å; F418-I420 PolarHBondContact O-N 3.05Å
419N91.1Very high82.5Confident147 Ų14787.6 Ų87.679%0.78647%0.468SS*.THydrogen-bonded Turntrans50.443.4-176-162.935.3000113.4F415 R416F415-N419 WeakPolarHBondContact O-CA 3.24Å; F415-N419 PolarHBondContact O-N 3.17Å; R416-N419 PolarHBondContact O-N 3.46Å
420I90.3Very high80.5Confident30 Ų3090.1 Ų90.115%0.15449%0.489CS..  trans-82.4118.1176.3-60.5168.2000108L325 L410 F415 F418L325-I420 HydrophobicContact CD1-CD1 3.69Å; L325-I420 HydrophobicContact CD1-CG1 4.18Å; L410-I420 HydrophobicContact CD2-CD1 3.47Å; L410-I420 VanDerWaalsContact CD2-CD1 3.47Å; L410-I420 HydrophobicContact CG-CD1 4.46Å; F415-I420 HydrophobicContact CB-CB 4.16Å; F415-I420 HydrophobicContact CD1-CB 4.26Å; F415-I420 HydrophobicContact CD1-CD1 4.28Å; F415-I420 HydrophobicContact CD1-CG2 4.21Å; F415-I420 HydrophobicContact CE1-CG2 4.47Å; F415-I420 HydrophobicContact CG-CB 4.18Å; F415-I420 HydrophobicContact CG-CG2 4.26Å; F415-I420 PolarHBondContact O-N 3.35Å; F418-I420 HydrophobicContact CB-CD1 3.95Å; F418-I420 HydrophobicContact CB-CG1 3.93Å; F418-I420 PolarHBondContact O-N 3.05Å
421A87.9Confident78.3Confident89 Ų8995 Ų9574%0.73652%0.519SS*.  trans-118.3135.4175.900000109.9
422I83.4Confident76Confident90 Ų90100.6 Ų100.646%0.46255%0.553SS.*  trans-95.5112168.9-61178.3000106.6S340 F415 V424S340-I422 WeakPolarHBondContact OG-CD1 3.01Å; F415-I422 HydrophobicContact CE2-CD1 4.16Å; I422-V424 HydrophobicContact CG2-CG2 4.45Å
423S80.6Confident73.9Confident107 Ų107101.4 Ų101.475%0.74857%0.565SS**  trans-83114.8174.2-170.80000108.7P425S423-P425 WeakPolarHBondContact O-CD 3.38Å
424V72.4Confident71.7Confident123 Ų123103.5 Ų103.575%0.74557%0.574SS**  trans-96.997.7165.7-175.60000105.8I422 S426I422-V424 HydrophobicContact CG2-CG2 4.45Å; V424-S426 PolarHBondContact O-N 3.38Å; V424-S426 VanDerWaalsContact O-N 3.09Å
425P66Low69.3Low71 Ų71113.5 Ų113.546%0.46161%0.614SS.*  trans-57.7120.7172.922.5-31.4000108.1S423 Y427S423-P425 WeakPolarHBondContact O-CD 3.38Å; P425-Y427 HydrophobicContact CB-CD2 4.23Å; P425-Y427 HydrophobicContact CB-CE2 3.88Å; P425-Y427 HydrophobicContact CG-CD2 4.07Å; P425-Y427 HydrophobicContact CG-CE2 3.48Å; P425-Y427 VanDerWaalsContact CG-CE2 3.48Å; P425-Y427 PolarHBondContact O-N 3.18Å
426S62.3Low67Low111 Ų111117 Ų11778%0.77664%0.637SS**  trans-70.678.9169.549.30000107.8V424 Q428V424-S426 PolarHBondContact O-N 3.38Å; V424-S426 VanDerWaalsContact O-N 3.09Å; S426-Q428 PolarHBondContact O-N 3.49Å; S426-Q428 VanDerWaalsContact O-N 3.15Å
427Y55.5Low65Low189 Ų189109.9 Ų109.974%0.74162%0.62SS**  trans-58.9118.9157.7-64.7-77.3000105.1P425 L429P425-Y427 HydrophobicContact CB-CD2 4.23Å; P425-Y427 HydrophobicContact CB-CE2 3.88Å; P425-Y427 HydrophobicContact CG-CD2 4.07Å; P425-Y427 HydrophobicContact CG-CE2 3.48Å; P425-Y427 VanDerWaalsContact CG-CE2 3.48Å; P425-Y427 PolarHBondContact O-N 3.18Å; Y427-L429 PolarHBondContact O-N 2.98Å
428Q53.2Low63.1Low183 Ų183111.8 Ų111.886%0.85564%0.639SS**  trans-58.8101.1157.5-82.9-179.4-30.100104.2S426 S430S426-Q428 PolarHBondContact O-N 3.49Å; S426-Q428 VanDerWaalsContact O-N 3.15Å; Q428-S430 PolarHBondContact O-N 3.47Å
429L49.7Very low61.3Low152 Ų152116.9 Ų116.980%0.79667%0.666SS**  trans-63.186.9163.6-107.4144.1000104.6Y427 V431Y427-L429 PolarHBondContact O-N 2.98Å; L429-V431 HydrophobicContact CD2-CG2 4.47Å; L429-V431 PolarHBondContact O-N 3.36Å
430S52.5Low59.8Low96 Ų96113.7 Ų113.767%0.67165%0.65SS**  trans-65.892.415645.40000104.4Q428 T432Q428-S430 PolarHBondContact O-N 3.47Å; S430-T432 PolarHBondContact O-N 2.88Å
431V51Low58.9Low102 Ų102113.9 Ų113.962%0.61866%0.659SS**  trans-64.393.4156.4-179.50000103.7L429 L433L429-V431 HydrophobicContact CD2-CG2 4.47Å; L429-V431 PolarHBondContact O-N 3.36Å; V431-L433 HydrophobicContact CG1-CD2 4.33Å; V431-L433 PolarHBondContact O-N 3.2Å
432T47.4Very low58.3Low118 Ų118117.4 Ų117.472%0.72465%0.653SS**  trans-60.298.6157.9-45.90000103.3S430 P434S430-T432 PolarHBondContact O-N 2.88Å; T432-P434 WeakPolarHBondContact O-CD 3.45Å
433L49.8Very low58Low136 Ų136117 Ų11771%0.71265%0.649SS**  trans-50.3117.1167.8-71.3167.7000103.8V431 Y435V431-L433 HydrophobicContact CG1-CD2 4.33Å; V431-L433 PolarHBondContact O-N 3.2Å; L433-Y435 PolarHBondContact O-N 3.28Å; L433-Y435 VanDerWaalsContact O-N 3.12Å
434P45.5Very low58Low99 Ų99120.6 Ų120.664%0.64365%0.646SS**  trans-50.8132.6175.421.1-30.1000105.1T432 V436T432-P434 WeakPolarHBondContact O-CD 3.45Å; P434-V436 VanDerWaalsContact O-CG2 3.25Å; P434-V436 WeakPolarHBondContact O-CG2 3.47Å; P434-V436 PolarHBondContact O-N 3.48Å
435Y46Very low58.5Low215 Ų215119.1 Ų119.184%0.84363%0.633SS**  trans-47.891.5-176.3-163.5-91.7000108.1L433 T437L433-Y435 PolarHBondContact O-N 3.28Å; L433-Y435 VanDerWaalsContact O-N 3.12Å; Y435-T437 HydrophobicContact CD1-CG2 4.03Å; Y435-T437 HydrophobicContact CE1-CG2 4.24Å; Y435-T437 PolarHBondContact O-N 3.22Å
436V47.8Very low59.3Low98 Ų98119 Ų11959%0.59463%0.628SS**  trans-76.389.9174.1-178.30000100.1P434 A438P434-V436 VanDerWaalsContact O-CG2 3.25Å; P434-V436 WeakPolarHBondContact O-CG2 3.47Å; P434-V436 PolarHBondContact O-N 3.48Å; V436-A438 PolarHBondContact O-N 3.44Å
437T49.7Very low60.2Low86 Ų86120.6 Ų120.653%0.52862%0.623SS.*  trans-37.7121.6153.147.40000104.8Y435 N439Y435-T437 HydrophobicContact CD1-CG2 4.03Å; Y435-T437 HydrophobicContact CE1-CG2 4.24Å; Y435-T437 PolarHBondContact O-N 3.22Å; T437-N439 PolarHBondContact O-N 2.84Å
438A52.5Low61.7Low92 Ų92118.6 Ų118.676%0.7662%0.619SS**SBendtrans-59.866.3-172.600000112.1V436V436-A438 PolarHBondContact O-N 3.44Å
439N51.8Low63.3Low120 Ų120114.8 Ų114.864%0.64260%0.597SS**  trans-121.172.4175.5-83.71.1000104.2T437 G441T437-N439 PolarHBondContact O-N 2.84Å; N439-G441 PolarHBondContact O-N 2.99Å
440D61.4Low65Low81 Ų81110.8 Ų110.843%0.43358%0.581SS.*  trans50.717.9135.2-46.2-22000118.1W442 Q443 R444D440-W442 PolarHBondContact O-N 3.06Å; D440-Q443 HydrophobicContact CB-CB 4.21Å; D440-Q443 VanDerWaalsContact CG-OE1 3.26Å; D440-Q443 WeakPolarHBondContact O-CB 3.21Å; D440-Q443 PolarHBondContact O-N 2.83Å; D440-Q443 VanDerWaalsContact O-N 3.17Å; D440-Q443 PolarHBondContact OD1-OE1 3.19Å; D440-Q443 VanDerWaalsContact OD1-OE1 3.12Å; D440-R444 WeakPolarHBondContact O-CG 3.44Å; D440-R444 PolarHBondContact O-N 3.17Å
441G69.7Low66.5Low33 Ų33112.7 Ų112.734%0.3458%0.58SS.*Hα-helixtrans-64.7-42.2-172.700000112.8N439 I445N439-G441 PolarHBondContact O-N 2.99Å; G441-I445 WeakPolarHBondContact O-CG1 3.36Å; G441-I445 PolarHBondContact O-N 3.47Å
442W76.5Confident68.1Low163 Ų163112.1 Ų112.162%0.61758%0.576SS**Hα-helixtrans-73.9-33.1173.966.2-95.4000111.9D440 R444 I445 I446D440-W442 PolarHBondContact O-N 3.06Å; W442-R444 VanDerWaalsContact C-N 3.3Å; W442-R444 PolarHBondContact O-N 3.09Å; W442-I445 WeakPolarHBondContact O-CB 3.27Å; W442-I445 PolarHBondContact O-N 3.2Å; W442-I445 VanDerWaalsContact O-N 3.11Å; W442-I446 HydrophobicContact CE3-CD1 3.48Å; W442-I446 VanDerWaalsContact CE3-CD1 3.48Å; W442-I446 HydrophobicContact CE3-CG1 4.24Å; W442-I446 HydrophobicContact CZ3-CD1 3.62Å; W442-I446 WeakPolarHBondContact O-CG1 3.19Å; W442-I446 PolarHBondContact O-N 2.93Å
443Q77.7Confident69.6Low82 Ų82111.8 Ų111.838%0.38357%0.565SS.*Hα-helixtrans-62.1-40.6174-72.2175.3-15.700110.6D440 I445 I446 E447D440-Q443 HydrophobicContact CB-CB 4.21Å; D440-Q443 VanDerWaalsContact CG-OE1 3.26Å; D440-Q443 WeakPolarHBondContact O-CB 3.21Å; D440-Q443 PolarHBondContact O-N 2.83Å; D440-Q443 VanDerWaalsContact O-N 3.17Å; D440-Q443 PolarHBondContact OD1-OE1 3.19Å; D440-Q443 VanDerWaalsContact OD1-OE1 3.12Å; Q443-I445 VanDerWaalsContact C-N 3.34Å; Q443-I445 PolarHBondContact O-N 2.92Å; Q443-I446 PolarHBondContact O-N 3.32Å; Q443-E447 WeakPolarHBondContact O-CB 3.45Å; Q443-E447 WeakPolarHBondContact O-CG 3.49Å; Q443-E447 PolarHBondContact O-N 2.68Å
444R79Confident71.1Confident182 Ų182110.4 Ų110.469%0.68756%0.555SS**Hα-helixtrans-62.3-37.5171.6-74.8179.6173.6-165.4-1.5113.2D440 W442 K448D440-R444 WeakPolarHBondContact O-CG 3.44Å; D440-R444 PolarHBondContact O-N 3.17Å; W442-R444 VanDerWaalsContact C-N 3.3Å; W442-R444 PolarHBondContact O-N 3.09Å; R444-K448 WeakPolarHBondContact O-CB 3.47Å; R444-K448 PolarHBondContact O-N 3.46Å
445I82.6Confident72.7Confident92 Ų92111.1 Ų111.147%0.47256%0.559SS.*Hα-helixtrans-66.6-44.9174.9-68.2170.6000109.7G441 W442 Q443 K448 Y449 F453G441-I445 WeakPolarHBondContact O-CG1 3.36Å; G441-I445 PolarHBondContact O-N 3.47Å; W442-I445 WeakPolarHBondContact O-CB 3.27Å; W442-I445 PolarHBondContact O-N 3.2Å; W442-I445 VanDerWaalsContact O-N 3.11Å; Q443-I445 VanDerWaalsContact C-N 3.34Å; Q443-I445 PolarHBondContact O-N 2.92Å; I445-K448 PolarHBondContact O-N 3.12Å; I445-Y449 HydrophobicContact CG2-CD2 3.94Å; I445-Y449 HydrophobicContact CG2-CE2 4.46Å; I445-Y449 WeakPolarHBondContact O-CB 3.49Å; I445-Y449 VanDerWaalsContact O-CD2 3.3Å; I445-Y449 WeakPolarHBondContact O-CD2 3.05Å; I445-Y449 PolarHBondContact O-N 3.19Å; I445-F453 HydrophobicContact CG2-CE2 4.44Å
446I83.1Confident74.1Confident68 Ų68106.5 Ų106.535%0.34955%0.55SS..Hα-helixtrans-64.7-41.6177.6-67.4-176.1000111.3W442 Q443 Y449 S450 F453W442-I446 HydrophobicContact CE3-CD1 3.48Å; W442-I446 VanDerWaalsContact CE3-CD1 3.48Å; W442-I446 HydrophobicContact CE3-CG1 4.24Å; W442-I446 HydrophobicContact CZ3-CD1 3.62Å; W442-I446 WeakPolarHBondContact O-CG1 3.19Å; W442-I446 PolarHBondContact O-N 2.93Å; Q443-I446 PolarHBondContact O-N 3.32Å; I446-Y449 CarbonylContact O-C 3.5Å; I446-S450 WeakPolarHBondContact O-CA 3.44Å; I446-S450 VanDerWaalsContact O-CB 3.29Å; I446-S450 WeakPolarHBondContact O-CB 3.47Å; I446-S450 PolarHBondContact O-N 3.36Å; I446-F453 HydrophobicContact CB-CD2 4.27Å; I446-F453 HydrophobicContact CB-CE2 4.4Å; I446-F453 HydrophobicContact CG1-CD2 4.15Å; I446-F453 HydrophobicContact CG1-CE2 4.01Å; I446-F453 HydrophobicContact CG1-CZ 4.23Å; I446-F453 HydrophobicContact CG2-CD2 4.23Å; I446-F453 HydrophobicContact CG2-CG 4.49Å
447E82.1Confident75.1Confident146 Ų146107.5 Ų107.568%0.68255%0.551SS**Hα-helixtrans-63.6-51.6174.1-80.7-179.2156.200111.4Q443 Y449 S450Q443-E447 WeakPolarHBondContact O-CB 3.45Å; Q443-E447 WeakPolarHBondContact O-CG 3.49Å; Q443-E447 PolarHBondContact O-N 2.68Å; E447-Y449 VanDerWaalsContact C-N 3.29Å; E447-Y449 PolarHBondContact O-N 2.85Å; E447-S450 WeakPolarHBondContact O-CB 3.47Å; E447-S450 PolarHBondContact O-N 3.18Å; E447-S450 PolarHBondContact O-OG 3.19Å
448K86.5Confident75.7Confident147 Ų147106.9 Ų106.964%0.63956%0.562SS**Hα-helixtrans-61.2-37.3-176.9-177.9178.1-179.8-169.50112.5R444 I445R444-K448 WeakPolarHBondContact O-CB 3.47Å; R444-K448 PolarHBondContact O-N 3.46Å; I445-K448 PolarHBondContact O-N 3.12Å
449Y87.6Confident75.3Confident103 Ų103114 Ų11440%0.40458%0.579SS.*THydrogen-bonded Turntrans-113.532.6-179.6-55.6-73.4000111.4I445 I446 E447 E451 V452 F453I445-Y449 HydrophobicContact CG2-CD2 3.94Å; I445-Y449 HydrophobicContact CG2-CE2 4.46Å; I445-Y449 WeakPolarHBondContact O-CB 3.49Å; I445-Y449 VanDerWaalsContact O-CD2 3.3Å; I445-Y449 WeakPolarHBondContact O-CD2 3.05Å; I445-Y449 PolarHBondContact O-N 3.19Å; I446-Y449 CarbonylContact O-C 3.5Å; E447-Y449 VanDerWaalsContact C-N 3.29Å; E447-Y449 PolarHBondContact O-N 2.85Å; Y449-E451 PolarHBondContact O-N 3.19Å; Y449-E451 VanDerWaalsContact O-N 3.11Å; Y449-V452 WeakPolarHBondContact O-CB 3.45Å; Y449-V452 PolarHBondContact O-N 2.81Å; Y449-F453 VanDerWaalsContact O-CD2 3.22Å; Y449-F453 WeakPolarHBondContact O-CD2 3.24Å; Y449-F453 PolarHBondContact O-N 2.88Å
450S85.2Confident76.5Confident67 Ų67113.8 Ų113.847%0.46958%0.576SS.*THydrogen-bonded Turntrans-56.4-30.6-176.247.90000112.9I446 E447 V452 F453 Q454I446-S450 WeakPolarHBondContact O-CA 3.44Å; I446-S450 VanDerWaalsContact O-CB 3.29Å; I446-S450 WeakPolarHBondContact O-CB 3.47Å; I446-S450 PolarHBondContact O-N 3.36Å; E447-S450 WeakPolarHBondContact O-CB 3.47Å; E447-S450 PolarHBondContact O-N 3.18Å; E447-S450 PolarHBondContact O-OG 3.19Å; S450-V452 PolarHBondContact O-N 3.33Å; S450-F453 PolarHBondContact O-N 3.46Å; S450-Q454 PolarHBondContact O-N 3.32Å
451E84.1Confident77.3Confident137 Ų137115.5 Ų115.564%0.6458%0.584SS**THydrogen-bonded Turntrans-56.9-33.9171.564.7-172.3-17400113.4Y449 Q454 L457Y449-E451 PolarHBondContact O-N 3.19Å; Y449-E451 VanDerWaalsContact O-N 3.11Å; E451-Q454 VanDerWaalsContact O-CG 3.31Å; E451-Q454 WeakPolarHBondContact O-CG 3.39Å; E451-L457 WeakPolarHBondContact O-CD1 3.44Å
452V83.3Confident77.7Confident89 Ų89120.1 Ų120.154%0.53960%0.597SS.*THydrogen-bonded Turntrans-82.6-22.9-179.6-167.30000111.6Y449 S450Y449-V452 WeakPolarHBondContact O-CB 3.45Å; Y449-V452 PolarHBondContact O-N 2.81Å; S450-V452 PolarHBondContact O-N 3.33Å
453F80.7Confident77.8Confident112 Ų112117.5 Ų117.549%0.49160%0.596SS.*THydrogen-bonded Turntrans-96.513.9179.8-62.1-73.5000113.3I445 I446 Y449 S450I445-F453 HydrophobicContact CG2-CE2 4.44Å; I446-F453 HydrophobicContact CB-CD2 4.27Å; I446-F453 HydrophobicContact CB-CE2 4.4Å; I446-F453 HydrophobicContact CG1-CD2 4.15Å; I446-F453 HydrophobicContact CG1-CE2 4.01Å; I446-F453 HydrophobicContact CG1-CZ 4.23Å; I446-F453 HydrophobicContact CG2-CD2 4.23Å; I446-F453 HydrophobicContact CG2-CG 4.49Å; Y449-F453 VanDerWaalsContact O-CD2 3.22Å; Y449-F453 WeakPolarHBondContact O-CD2 3.24Å; Y449-F453 PolarHBondContact O-N 2.88Å; S450-F453 PolarHBondContact O-N 3.46Å
454Q81Confident77.8Confident107 Ų107119.8 Ų119.850%0.561%0.609SS.*  trans-62.8134.5173.4-67-101.6-14.900109.9S450 E451 D456 L457S450-Q454 PolarHBondContact O-N 3.32Å; E451-Q454 VanDerWaalsContact O-CG 3.31Å; E451-Q454 WeakPolarHBondContact O-CG 3.39Å; Q454-D456 PolarHBondContact O-N 3.14Å; Q454-L457 HydrophobicContact CB-CD1 4.25Å; Q454-L457 PolarHBondContact O-N 2.97Å
455P77.8Confident77.7Confident113 Ų113115.6 Ų115.673%0.73460%0.604SS**G310 helixtrans-58-22.1-177.517.7-28000113.8
456D76Confident77.4Confident119 Ų119117.3 Ų117.364%0.63661%0.614SS**G310 helixtrans-90.3-7.1-173.4-55.8-39.3000114.4Q454 G458Q454-D456 PolarHBondContact O-N 3.14Å; D456-G458 PolarHBondContact O-N 3.08Å
457L69.8Low76.9Confident119 Ų119121.1 Ų121.162%0.62363%0.634SS**G310 helixtrans-76.9-8.8-180-88.1165.9000114.1E451 Q454E451-L457 WeakPolarHBondContact O-CD1 3.44Å; Q454-L457 HydrophobicContact CB-CD1 4.25Å; Q454-L457 PolarHBondContact O-N 2.97Å
458G61.5Low76.5Confident73 Ų73119 Ų11975%0.75363%0.63SS**G310 helixtrans-103.48.4-173.200000116.7D456D456-G458 PolarHBondContact O-N 3.08Å
459Q44.8Very low75.6Confident242 Ų242116.5 Ų116.5100%1.13163%0.629SS**  trans-82.70178.6-74.1-163.819.600114

Retrieved 459 of 459 residues in 396 ms (Link to these results)

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