A0A077ZBF7_TRITR Loading...

Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase

AlphaFold DB , UniProt , Accession A0A077ZBF7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 377 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
1M60.2Low83.8Confident121 Ų12172.9 Ų72.960%0.59635%0.353SS*.  0-57.30-159.4-179.6-72.200113N3 T4 Y5 L30 S37M1-N3 VanDerWaalsContact C-N 3.34Å; M1-N3 PolarHBondContact O-N 3.27Å; M1-T4 PolarHBondContact O-N 3.21Å; M1-Y5 PolarHBondContact O-N 3.3Å; M1-L30 HydrophobicContact SD-CD1 3.88Å; M1-S37 WeakPolarHBondContact CA-OG 3.29Å
2T71.7Confident84.2Confident109 Ų10966.8 Ų66.867%0.66932%0.324SS*.Hα-helixtrans-53.7-42.4-173.4-36.90000114.2L6T2-L6 HydrophobicContact CG2-CD1 4.3Å; T2-L6 VanDerWaalsContact O-CG 3.26Å; T2-L6 WeakPolarHBondContact O-CG 3.46Å; T2-L6 PolarHBondContact O-N 2.79Å
3N85.8Confident84.5Confident97 Ų9769.9 Ų69.952%0.51934%0.342SS..Hα-helixtrans-66.7-47.7178.6-169.4-10.1000112.4M1 Y5 L6 R7M1-N3 VanDerWaalsContact C-N 3.34Å; M1-N3 PolarHBondContact O-N 3.27Å; N3-Y5 VanDerWaalsContact C-N 3.3Å; N3-Y5 PolarHBondContact O-N 3.31Å; N3-L6 PolarHBondContact O-N 3.04Å; N3-R7 WeakPolarHBondContact O-CG 3.3Å; N3-R7 PolarHBondContact O-N 3.27Å; N3-R7 PolarHBondContact OD1-NE 3.33Å
4T87.3Confident84.9Confident15 Ų1573.1 Ų73.19%0.09236%0.356CS..Hα-helixtrans-57.9-44.2177.2-46.70000111.5M1 R7 L8 A33 L36 W372M1-T4 PolarHBondContact O-N 3.21Å; T4-R7 PolarHBondContact O-N 3.12Å; T4-L8 HydrophobicContact CG2-CD1 4.4Å; T4-L8 WeakPolarHBondContact O-CG 3.48Å; T4-L8 PolarHBondContact O-N 3.3Å; T4-A33 HydrophobicContact CG2-CB 4.29Å; T4-L36 HydrophobicContact CG2-CB 3.83Å; T4-L36 HydrophobicContact CG2-CD1 3.82Å; T4-W372 HydrophobicContact CG2-CH2 3.8Å; T4-W372 HydrophobicContact CG2-CZ2 4.11Å; T4-W372 HydrophobicContact CG2-CZ3 4.32Å
5Y86.9Confident85.3Confident40 Ų4071.1 Ų71.116%0.15734%0.343CS..Hα-helixtrans-60.5-52.9177177.3-95.4000112M1 N3 R7 L8 E9 L26 A29 L30 A33M1-Y5 PolarHBondContact O-N 3.3Å; N3-Y5 VanDerWaalsContact C-N 3.3Å; N3-Y5 PolarHBondContact O-N 3.31Å; Y5-R7 VanDerWaalsContact C-N 3.26Å; Y5-R7 PolarHBondContact O-N 3.48Å; Y5-L8 WeakPolarHBondContact O-CB 3.2Å; Y5-L8 PolarHBondContact O-N 3.44Å; Y5-E9 HydrophobicContact CD1-CG 4.3Å; Y5-E9 HydrophobicContact CE1-CG 3.81Å; Y5-E9 WeakPolarHBondContact CE1-OE1 3.42Å; Y5-E9 WeakPolarHBondContact O-CG 3.39Å; Y5-E9 PolarHBondContact O-N 3.26Å; Y5-E9 PolarHBondContact OH-OE1 2.91Å; Y5-L26 WeakPolarHBondContact OH-CD2 3.42Å; Y5-A29 HydrophobicContact CD2-CB 4.14Å; Y5-A29 HydrophobicContact CE2-CB 3.73Å; Y5-L30 HydrophobicContact CD2-CB 4.4Å; Y5-L30 HydrophobicContact CD2-CD1 4.48Å; Y5-L30 HydrophobicContact CE2-CB 4.27Å; Y5-A33 HydrophobicContact CD2-CB 4.42Å
6L86.9Confident85.4Confident95 Ų9569.9 Ų69.950%0.49736%0.356SS..Hα-helixtrans-59.3-35.9178.6-69.7171000112.8T2 N3 E9 K10T2-L6 HydrophobicContact CG2-CD1 4.3Å; T2-L6 VanDerWaalsContact O-CG 3.26Å; T2-L6 WeakPolarHBondContact O-CG 3.46Å; T2-L6 PolarHBondContact O-N 2.79Å; N3-L6 PolarHBondContact O-N 3.04Å; L6-E9 PolarHBondContact O-N 3.27Å; L6-K10 PolarHBondContact O-N 3.48Å
7R89.1Confident85Confident133 Ų13367 Ų6750%0.50234%0.341SS..Hα-helixtrans-66.8-41.2174.7-72178.2-174.7-155-3.7112.1N3 T4 Y5 E9 K10 I11 W372N3-R7 WeakPolarHBondContact O-CG 3.3Å; N3-R7 PolarHBondContact O-N 3.27Å; N3-R7 PolarHBondContact OD1-NE 3.33Å; T4-R7 PolarHBondContact O-N 3.12Å; Y5-R7 VanDerWaalsContact C-N 3.26Å; Y5-R7 PolarHBondContact O-N 3.48Å; R7-E9 VanDerWaalsContact C-N 3.31Å; R7-E9 PolarHBondContact O-N 3.18Å; R7-K10 PolarHBondContact O-N 3.16Å; R7-I11 WeakPolarHBondContact O-CG1 3.34Å; R7-I11 PolarHBondContact O-N 3.47Å; R7-W372 HydrophobicContact CB-CH2 4.19Å; R7-W372 HydrophobicContact CB-CZ3 3.65Å
8L89.1Confident83.9Confident0 Ų065.2 Ų65.20%033%0.334CS..Hα-helixtrans-62.6-38.6174.4-75.7162.8000111.8T4 Y5 I11 A12 A29 V32 A33 L36 W372T4-L8 HydrophobicContact CG2-CD1 4.4Å; T4-L8 WeakPolarHBondContact O-CG 3.48Å; T4-L8 PolarHBondContact O-N 3.3Å; Y5-L8 WeakPolarHBondContact O-CB 3.2Å; Y5-L8 PolarHBondContact O-N 3.44Å; L8-I11 PolarHBondContact O-N 3.44Å; L8-A12 WeakPolarHBondContact O-CB 3.3Å; L8-A12 PolarHBondContact O-N 3.12Å; L8-A29 HydrophobicContact CB-CB 4.42Å; L8-A29 WeakPolarHBondContact CD1-O 3.47Å; L8-V32 HydrophobicContact CD1-CB 3.97Å; L8-V32 HydrophobicContact CD1-CG1 3.81Å; L8-V32 HydrophobicContact CD2-CG1 3.8Å; L8-V32 HydrophobicContact CG-CG1 4.49Å; L8-A33 HydrophobicContact CD1-CB 3.79Å; L8-L36 HydrophobicContact CD1-CD1 4.17Å; L8-L36 HydrophobicContact CD2-CD1 4.5Å; L8-W372 HydrophobicContact CD2-CB 4.12Å; L8-W372 HydrophobicContact CD2-CD2 4.13Å; L8-W372 HydrophobicContact CD2-CE3 3.55Å; L8-W372 HydrophobicContact CD2-CG 4.37Å; L8-W372 HydrophobicContact CD2-CZ3 4.31Å; L8-W372 HydrophobicContact CG-CE3 3.76Å; L8-W372 HydrophobicContact CG-CZ3 4.01Å
9E86.9Confident82.8Confident38 Ų3864.8 Ų64.818%0.17833%0.332CS..Hα-helixtrans-60.8-45.8173.7-64.9-170.2139.500111.5Y5 L6 R7 I11 A12 L13 V20Y5-E9 HydrophobicContact CD1-CG 4.3Å; Y5-E9 HydrophobicContact CE1-CG 3.81Å; Y5-E9 WeakPolarHBondContact CE1-OE1 3.42Å; Y5-E9 WeakPolarHBondContact O-CG 3.39Å; Y5-E9 PolarHBondContact O-N 3.26Å; Y5-E9 PolarHBondContact OH-OE1 2.91Å; L6-E9 PolarHBondContact O-N 3.27Å; R7-E9 VanDerWaalsContact C-N 3.31Å; R7-E9 PolarHBondContact O-N 3.18Å; E9-I11 PolarHBondContact O-N 3.02Å; E9-A12 WeakPolarHBondContact O-CB 3.48Å; E9-A12 PolarHBondContact O-N 2.76Å; E9-L13 WeakPolarHBondContact O-CG 3.36Å; E9-L13 PolarHBondContact O-N 3.27Å; E9-V20 HydrophobicContact CB-CG1 3.89Å; E9-V20 HydrophobicContact CB-CG2 4.2Å; E9-V20 VanDerWaalsContact CD-CG1 3.41Å; E9-V20 HydrophobicContact CG-CG1 3.45Å; E9-V20 VanDerWaalsContact CG-CG1 3.45Å; E9-V20 WeakPolarHBondContact OE1-CG1 3.39Å
10K88.4Confident81.5Confident148 Ų14862.2 Ų62.264%0.64332%0.319SS*.Hα-helixtrans-59.1-46176.3-176.6178.6175.1-176.40111.8L6 R7 L13 E14L6-K10 PolarHBondContact O-N 3.48Å; R7-K10 PolarHBondContact O-N 3.16Å; K10-L13 PolarHBondContact O-N 2.91Å; K10-E14 WeakPolarHBondContact O-CB 3.2Å; K10-E14 PolarHBondContact O-N 3.32Å
11I90.2Very high80.4Confident6 Ų669.3 Ų69.33%0.03134%0.342CS..Hα-helixtrans-62.9-44.1176.9-67.4165.6000110.5R7 L8 E9 L13 E14 Y15 L371 W372 H375R7-I11 WeakPolarHBondContact O-CG1 3.34Å; R7-I11 PolarHBondContact O-N 3.47Å; L8-I11 PolarHBondContact O-N 3.44Å; E9-I11 PolarHBondContact O-N 3.02Å; I11-L13 VanDerWaalsContact C-N 3.28Å; I11-L13 PolarHBondContact O-N 3.11Å; I11-E14 PolarHBondContact O-N 3.28Å; I11-Y15 HydrophobicContact CG2-CD2 3.95Å; I11-Y15 HydrophobicContact CG2-CE2 4.23Å; I11-Y15 WeakPolarHBondContact O-CD2 3.46Å; I11-Y15 PolarHBondContact O-N 2.76Å; I11-L371 HydrophobicContact CG2-CB 3.73Å; I11-L371 HydrophobicContact CG2-CD1 4.14Å; I11-W372 HydrophobicContact CD1-CE3 3.73Å; I11-W372 HydrophobicContact CD1-CZ3 4.28Å; I11-H375 HydrophobicContact CD1-CB 3.64Å; I11-H375 HydrophobicContact CG1-CB 4.25Å
12A88.2Confident80.7Confident0 Ų069.6 Ų69.60%034%0.34CS..Hα-helixtrans-58.2-42.3178.500000112L8 E9 G16 L17 V20 L368L8-A12 WeakPolarHBondContact O-CB 3.3Å; L8-A12 PolarHBondContact O-N 3.12Å; E9-A12 WeakPolarHBondContact O-CB 3.48Å; E9-A12 PolarHBondContact O-N 2.76Å; A12-G16 PolarHBondContact O-N 2.96Å; A12-G16 VanDerWaalsContact O-N 3.11Å; A12-L17 PolarHBondContact O-N 3.44Å; A12-V20 HydrophobicContact CB-CG2 3.97Å; A12-L368 HydrophobicContact CB-CD2 3.55Å
13L88.1Confident80.2Confident107 Ų10770.9 Ų70.956%0.5634%0.343SS*.Hα-helixtrans-67.8-48.6176.4-70.2170.6000111.8E9 K10 I11 Y15 G16 V20E9-L13 WeakPolarHBondContact O-CG 3.36Å; E9-L13 PolarHBondContact O-N 3.27Å; K10-L13 PolarHBondContact O-N 2.91Å; I11-L13 VanDerWaalsContact C-N 3.28Å; I11-L13 PolarHBondContact O-N 3.11Å; L13-Y15 VanDerWaalsContact C-N 3.29Å; L13-Y15 PolarHBondContact O-N 3.4Å; L13-G16 PolarHBondContact O-N 3.19Å; L13-V20 HydrophobicContact CD2-CG2 4.07Å; L13-V20 HydrophobicContact CG-CG2 3.89Å
14E90.4Very high79.2Confident115 Ų11569.1 Ų69.154%0.53734%0.338SS..Hα-helixtrans-56-43.6-179.7-177.9-178.4159.700111.9K10 I11 G16 H375K10-E14 WeakPolarHBondContact O-CB 3.2Å; K10-E14 PolarHBondContact O-N 3.32Å; I11-E14 PolarHBondContact O-N 3.28Å; E14-G16 VanDerWaalsContact C-N 3.34Å; E14-H375 IonicContact OE1-CE1 3.45Å; E14-H375 IonicContact OE2-CE1 3.51Å
15Y90.7Very high78.1Confident42 Ų4268.4 Ų68.417%0.16533%0.334CS..THydrogen-bonded Turntrans-88.5-1.9179.8-72.5-92.7000113.4I11 L13 L17 K268 L371 H375I11-Y15 HydrophobicContact CG2-CD2 3.95Å; I11-Y15 HydrophobicContact CG2-CE2 4.23Å; I11-Y15 WeakPolarHBondContact O-CD2 3.46Å; I11-Y15 PolarHBondContact O-N 2.76Å; L13-Y15 VanDerWaalsContact C-N 3.29Å; L13-Y15 PolarHBondContact O-N 3.4Å; Y15-L17 PolarHBondContact O-N 2.9Å; Y15-K268 HydrophobicContact CD1-CB 3.8Å; Y15-K268 HydrophobicContact CD1-CG 4.21Å; Y15-K268 HydrophobicContact CE1-CB 4.35Å; Y15-K268 WeakPolarHBondContact O-CD 3.3Å; Y15-K268 WeakPolarHBondContact O-CE 3.41Å; Y15-K268 PolarHBondContact O-NZ 3.08Å; Y15-L371 HydrophobicContact CD1-CD1 3.88Å; Y15-L371 HydrophobicContact CD1-CD2 3.68Å; Y15-L371 HydrophobicContact CD1-CG 4.46Å; Y15-L371 HydrophobicContact CD2-CD1 3.72Å; Y15-L371 HydrophobicContact CD2-CD2 4.31Å; Y15-L371 HydrophobicContact CE1-CD2 3.6Å; Y15-L371 HydrophobicContact CE2-CD1 4.36Å; Y15-L371 HydrophobicContact CE2-CD2 4.23Å; Y15-L371 HydrophobicContact CG-CD1 3.43Å; Y15-L371 VanDerWaalsContact CG-CD1 3.43Å; Y15-L371 HydrophobicContact CG-CD2 4.04Å; Y15-L371 HydrophobicContact CG-CG 4.36Å; Y15-H375 AromaticContact CE2-NE2 3.34Å; Y15-H375 VanDerWaalsContact CE2-NE2 3.34Å; Y15-H375 WeakPolarHBondContact CE2-NE2 3.29Å; Y15-H375 AromaticContact CZ-NE2 3.7Å; Y15-H375 PolarHBondContact OH-NE2 3.1Å; Y15-H375 VanDerWaalsContact OH-NE2 3.15Å
16G86.5Confident77.2Confident53 Ų5369.6 Ų69.655%0.54634%0.342SS..THydrogen-bonded Turntrans56.936.7-176.700000112.6A12 L13 E14A12-G16 PolarHBondContact O-N 2.96Å; A12-G16 VanDerWaalsContact O-N 3.11Å; L13-G16 PolarHBondContact O-N 3.19Å; E14-G16 VanDerWaalsContact C-N 3.34Å
17L78.8Confident76.7Confident20 Ų2069 Ų6911%0.10533%0.334CS..  trans-75.9-32179.2-72.3-167.3000112A12 Y15 T272 H367 L368 L371A12-L17 PolarHBondContact O-N 3.44Å; Y15-L17 PolarHBondContact O-N 2.9Å; L17-T272 HydrophobicContact CD2-CG2 3.19Å; L17-H367 HydrophobicContact CD1-CB 3.86Å; L17-L368 HydrophobicContact CD1-CD2 3.92Å; L17-L368 HydrophobicContact CD1-CG 4.38Å; L17-L371 HydrophobicContact CD1-CD1 3.29Å; L17-L371 HydrophobicContact CD1-CG 4.37Å; L17-L371 HydrophobicContact CD2-CD1 4.48Å; L17-L371 HydrophobicContact CG-CD1 3.89Å
18V65.5Low76.3Confident35 Ų3564.2 Ų64.221%0.21232%0.318CS..  trans-159151-176-152.90000111.8V20 C25V18-V20 PolarHBondContact O-N 3.43Å; V18-C25 HydrophobicContact CB-CB 4.08Å; V18-C25 WeakPolarHBondContact CB-SG 3.4Å; V18-C25 HydrophobicContact CG1-CB 3.31Å; V18-C25 WeakPolarHBondContact CG1-SG 3.47Å
19D62.3Low76.1Confident57 Ų5764.2 Ų64.231%0.30532%0.318SS..  trans-81.2100.1160.6-174-1000107.8R21 K22D19-R21 PolarHBondContact O-N 3.4Å; D19-R21 WeakPolarHBondContact OD1-CB 3.31Å; D19-R21 IonicContact OD1-CZ 3.77Å; D19-R21 PolarHBondContact OD1-N 3.13Å; D19-R21 IonicContact OD1-NE 3.77Å; D19-R21 PolarHBondContact OD1-NE 3.45Å; D19-R21 IonicContact OD1-NH2 3.56Å; D19-R21 IonicContact OD2-NH2 3.67Å; D19-K22 HydrophobicContact CB-CD 4.2Å; D19-K22 HydrophobicContact CB-CG 4.19Å; D19-K22 WeakPolarHBondContact O-CB 3.34Å; D19-K22 PolarHBondContact O-N 2.89Å
20V56.3Low76Confident12 Ų1266 Ų667%0.07333%0.328CS..THydrogen-bonded Turntrans-55.6-24.7-175.5-178.10000112.2E9 A12 L13 V18 K22 L26E9-V20 HydrophobicContact CB-CG1 3.89Å; E9-V20 HydrophobicContact CB-CG2 4.2Å; E9-V20 VanDerWaalsContact CD-CG1 3.41Å; E9-V20 HydrophobicContact CG-CG1 3.45Å; E9-V20 VanDerWaalsContact CG-CG1 3.45Å; E9-V20 WeakPolarHBondContact OE1-CG1 3.39Å; A12-V20 HydrophobicContact CB-CG2 3.97Å; L13-V20 HydrophobicContact CD2-CG2 4.07Å; L13-V20 HydrophobicContact CG-CG2 3.89Å; V18-V20 PolarHBondContact O-N 3.43Å; V20-K22 PolarHBondContact O-N 3.42Å; V20-K22 VanDerWaalsContact O-N 3.11Å; V20-L26 HydrophobicContact CG1-CD2 3.98Å; V20-L26 WeakPolarHBondContact O-CD2 3.33Å; V20-L26 VanDerWaalsContact O-CG 3.32Å; V20-L26 WeakPolarHBondContact O-CG 3.34Å
21R59.4Low76Confident212 Ų21260.3 Ų60.380%0.831%0.305SS*.THydrogen-bonded Turntrans-69.8-4.7176.9-60.9174.8-66.7-176.71.9114D19D19-R21 PolarHBondContact O-N 3.4Å; D19-R21 WeakPolarHBondContact OD1-CB 3.31Å; D19-R21 IonicContact OD1-CZ 3.77Å; D19-R21 PolarHBondContact OD1-N 3.13Å; D19-R21 IonicContact OD1-NE 3.77Å; D19-R21 PolarHBondContact OD1-NE 3.45Å; D19-R21 IonicContact OD1-NH2 3.56Å; D19-R21 IonicContact OD2-NH2 3.67Å
22K67.1Low75.9Confident128 Ų12860 Ų6056%0.55730%0.304SS*.SBendtrans-93.7132.8175.4-63.2-175.9-178.8-179.10110.7D19 V20 S24 C25 L26D19-K22 HydrophobicContact CB-CD 4.2Å; D19-K22 HydrophobicContact CB-CG 4.19Å; D19-K22 WeakPolarHBondContact O-CB 3.34Å; D19-K22 PolarHBondContact O-N 2.89Å; V20-K22 PolarHBondContact O-N 3.42Å; V20-K22 VanDerWaalsContact O-N 3.11Å; K22-S24 PolarHBondContact O-N 3.48Å; K22-C25 WeakPolarHBondContact O-CA 3.3Å; K22-C25 WeakPolarHBondContact O-CB 3.27Å; K22-C25 PolarHBondContact O-N 3.34Å; K22-L26 PolarHBondContact O-N 3.08Å
23D59.6Low76Confident136 Ų13660 Ų6073%0.72730%0.304SS*.Hα-helixtrans-48.4-48.1-175.3-170.516.8000114.4C25 L26 R27D23-C25 PolarHBondContact O-N 3.31Å; D23-C25 VanDerWaalsContact O-N 3.08Å; D23-L26 PolarHBondContact O-N 3.5Å; D23-R27 PolarHBondContact O-N 2.73Å
24S66.3Low76Confident59 Ų5958 Ų5841%0.41330%0.296SS..Hα-helixtrans-59.2-24.417760.70000114.7K22 N28K22-S24 PolarHBondContact O-N 3.48Å; S24-N28 PolarHBondContact O-ND2 3.06Å
25C63.1Low76Confident1 Ų152.8 Ų52.81%0.00727%0.273CS..Hα-helixtrans-79.2-47.6176.8-173.50000112.5V18 K22 D23 R27 N28 A29V18-C25 HydrophobicContact CB-CB 4.08Å; V18-C25 WeakPolarHBondContact CB-SG 3.4Å; V18-C25 HydrophobicContact CG1-CB 3.31Å; V18-C25 WeakPolarHBondContact CG1-SG 3.47Å; K22-C25 WeakPolarHBondContact O-CA 3.3Å; K22-C25 WeakPolarHBondContact O-CB 3.27Å; K22-C25 PolarHBondContact O-N 3.34Å; D23-C25 PolarHBondContact O-N 3.31Å; D23-C25 VanDerWaalsContact O-N 3.08Å; C25-R27 PolarHBondContact O-N 3.17Å; C25-N28 PolarHBondContact O-N 3.14Å; C25-A29 PolarHBondContact O-N 3.44Å
26L68.6Low75.9Confident64 Ų6451.3 Ų51.334%0.33527%0.268SS..Hα-helixtrans-51.6-43-179.2-62.1171.8000109.2Y5 V20 K22 D23 A29 L30Y5-L26 WeakPolarHBondContact OH-CD2 3.42Å; V20-L26 HydrophobicContact CG1-CD2 3.98Å; V20-L26 WeakPolarHBondContact O-CD2 3.33Å; V20-L26 VanDerWaalsContact O-CG 3.32Å; V20-L26 WeakPolarHBondContact O-CG 3.34Å; K22-L26 PolarHBondContact O-N 3.08Å; D23-L26 PolarHBondContact O-N 3.5Å; L26-A29 PolarHBondContact O-N 3.01Å; L26-L30 VanDerWaalsContact O-CB 3.31Å; L26-L30 WeakPolarHBondContact O-CB 3.45Å; L26-L30 PolarHBondContact O-N 3.26Å
27R75.8Confident75.9Confident82 Ų8249.3 Ų49.331%0.30925%0.245SC..Hα-helixtrans-65.1-44.6176.9-172.3171.1170.7159.9-1.2114.4D23 C25 A29 L30 D31 D135 S137D23-R27 PolarHBondContact O-N 2.73Å; C25-R27 PolarHBondContact O-N 3.17Å; R27-A29 VanDerWaalsContact C-N 3.34Å; R27-A29 PolarHBondContact O-N 3.02Å; R27-L30 WeakPolarHBondContact O-CB 3.44Å; R27-L30 PolarHBondContact O-N 3.19Å; R27-D31 PolarHBondContact O-N 3.13Å; R27-D135 IonicContact CZ-OD2 3.93Å; R27-D135 VanDerWaalsContact CZ-OD2 3.31Å; R27-D135 IonicContact NE-OD2 3.16Å; R27-D135 PolarHBondContact NE-OD2 3.2Å; R27-D135 VanDerWaalsContact NE-OD2 3.1Å; R27-D135 IonicContact NH2-OD2 3.14Å; R27-D135 PolarHBondContact NH2-OD2 3.46Å; R27-S137 VanDerWaalsContact CZ-O 3.23Å; R27-S137 PolarHBondContact NH1-O 3.34Å; R27-S137 PolarHBondContact NH2-O 3.45Å; R27-S137 PolarHBondContact NH2-OG 2.92Å
28N81.9Confident76.1Confident33 Ų3350.3 Ų50.318%0.17626%0.256CS..Hα-helixtrans-61.3-43.7176.5-71.7-32.1000111.6S24 C25 L30 D31 V32 R365 L368S24-N28 PolarHBondContact O-ND2 3.06Å; C25-N28 PolarHBondContact O-N 3.14Å; N28-L30 VanDerWaalsContact C-N 3.31Å; N28-D31 PolarHBondContact O-N 3.06Å; N28-V32 WeakPolarHBondContact O-CG2 3.14Å; N28-V32 PolarHBondContact O-N 3.01Å; N28-R365 HydrophobicContact CB-CG 3.74Å; N28-R365 WeakPolarHBondContact OD1-CG 3.31Å; N28-L368 HydrophobicContact CB-CD1 4.34Å
29A83.5Confident76.7Confident1 Ų149.2 Ų49.21%0.00825%0.249CC..Hα-helixtrans-65.1-37.2176.400000111.5Y5 L8 C25 L26 R27 V32 A33 L368Y5-A29 HydrophobicContact CD2-CB 4.14Å; Y5-A29 HydrophobicContact CE2-CB 3.73Å; L8-A29 HydrophobicContact CB-CB 4.42Å; L8-A29 WeakPolarHBondContact CD1-O 3.47Å; C25-A29 PolarHBondContact O-N 3.44Å; L26-A29 PolarHBondContact O-N 3.01Å; R27-A29 VanDerWaalsContact C-N 3.34Å; R27-A29 PolarHBondContact O-N 3.02Å; A29-V32 PolarHBondContact O-N 2.89Å; A29-A33 VanDerWaalsContact O-CB 3.22Å; A29-A33 WeakPolarHBondContact O-CB 2.91Å; A29-A33 PolarHBondContact O-N 2.86Å; A29-L368 HydrophobicContact CB-CD1 4.45Å
30L86.3Confident77.4Confident74 Ų7450.3 Ų50.339%0.38726%0.255SS..Hα-helixtrans-65.8-42.2176.3-175.963.3000112.7M1 Y5 L26 R27 N28 V32 A33 T34M1-L30 HydrophobicContact SD-CD1 3.88Å; Y5-L30 HydrophobicContact CD2-CB 4.4Å; Y5-L30 HydrophobicContact CD2-CD1 4.48Å; Y5-L30 HydrophobicContact CE2-CB 4.27Å; L26-L30 VanDerWaalsContact O-CB 3.31Å; L26-L30 WeakPolarHBondContact O-CB 3.45Å; L26-L30 PolarHBondContact O-N 3.26Å; R27-L30 WeakPolarHBondContact O-CB 3.44Å; R27-L30 PolarHBondContact O-N 3.19Å; N28-L30 VanDerWaalsContact C-N 3.31Å; L30-V32 PolarHBondContact O-N 2.89Å; L30-A33 PolarHBondContact O-N 3.1Å; L30-T34 WeakPolarHBondContact O-CB 3.41Å; L30-T34 PolarHBondContact O-N 3.32Å; L30-T34 PolarHBondContact O-OG1 3.02Å
31D86.6Confident78.1Confident29 Ų2956.5 Ų56.516%0.15529%0.288CS..Hα-helixtrans-59.8-47.1175.8-76.8-7.6000111.1R27 N28 T34 A35 F130 R365R27-D31 PolarHBondContact O-N 3.13Å; N28-D31 PolarHBondContact O-N 3.06Å; D31-T34 PolarHBondContact O-N 3.11Å; D31-A35 PolarHBondContact O-N 3.44Å; D31-A35 VanDerWaalsContact O-N 3.08Å; D31-F130 HydrophobicContact CB-CB 4.45Å; D31-R365 HydrophobicContact CB-CG 4.47Å; D31-R365 WeakPolarHBondContact OD2-CD 3.5Å; D31-R365 IonicContact OD2-CZ 2.69Å; D31-R365 IonicContact OD2-NE 3.87Å; D31-R365 IonicContact OD2-NH1 2.8Å; D31-R365 PolarHBondContact OD2-NH1 3.32Å
32V89.5Confident78.4Confident0 Ų049.6 Ų49.60%027%0.266CS..Hα-helixtrans-64.4-45177.2179.90000110.4L8 N28 A29 L30 T34 A35 L36 F130 R365 L368 L369L8-V32 HydrophobicContact CD1-CB 3.97Å; L8-V32 HydrophobicContact CD1-CG1 3.81Å; L8-V32 HydrophobicContact CD2-CG1 3.8Å; L8-V32 HydrophobicContact CG-CG1 4.49Å; N28-V32 WeakPolarHBondContact O-CG2 3.14Å; N28-V32 PolarHBondContact O-N 3.01Å; A29-V32 PolarHBondContact O-N 2.89Å; L30-V32 PolarHBondContact O-N 2.89Å; V32-T34 VanDerWaalsContact C-N 3.26Å; V32-T34 PolarHBondContact O-N 2.99Å; V32-A35 PolarHBondContact O-N 2.67Å; V32-L36 HydrophobicContact CG1-CD1 3.83Å; V32-L36 HydrophobicContact CG1-CG 4.38Å; V32-L36 WeakPolarHBondContact O-CB 3.41Å; V32-L36 VanDerWaalsContact O-CG 3.28Å; V32-L36 WeakPolarHBondContact O-CG 3.23Å; V32-L36 PolarHBondContact O-N 3.16Å; V32-F130 HydrophobicContact CB-CE1 4.37Å; V32-F130 HydrophobicContact CG2-CD1 4.35Å; V32-F130 HydrophobicContact CG2-CE1 3.74Å; V32-F130 HydrophobicContact CG2-CZ 4.1Å; V32-R365 HydrophobicContact CG2-CB 3.84Å; V32-R365 HydrophobicContact CG2-CG 4.32Å; V32-L368 HydrophobicContact CG2-CB 4.39Å; V32-L369 HydrophobicContact CG1-CB 4.16Å; V32-L369 HydrophobicContact CG1-CD1 4.22Å
33A89.4Confident77.9Confident0 Ų048.6 Ų48.60%027%0.271CS..Hα-helixtrans-61.2-35177.700000112.5T4 Y5 L8 A29 L30 S37T4-A33 HydrophobicContact CG2-CB 4.29Å; Y5-A33 HydrophobicContact CD2-CB 4.42Å; L8-A33 HydrophobicContact CD1-CB 3.79Å; A29-A33 VanDerWaalsContact O-CB 3.22Å; A29-A33 WeakPolarHBondContact O-CB 2.91Å; A29-A33 PolarHBondContact O-N 2.86Å; L30-A33 PolarHBondContact O-N 3.1Å; A33-S37 VanDerWaalsContact O-CB 3.27Å; A33-S37 WeakPolarHBondContact O-CB 3.31Å; A33-S37 PolarHBondContact O-N 2.89Å; A33-S37 PolarHBondContact O-OG 2.85Å
34T89.6Confident77.6Confident66 Ų6647.1 Ų47.141%0.40527%0.267SS..Hα-helixtrans-67.5-48.1177.2-61.10000110.6L30 D31 V32 L36 S37 A38L30-T34 WeakPolarHBondContact O-CB 3.41Å; L30-T34 PolarHBondContact O-N 3.32Å; L30-T34 PolarHBondContact O-OG1 3.02Å; D31-T34 PolarHBondContact O-N 3.11Å; V32-T34 VanDerWaalsContact C-N 3.26Å; V32-T34 PolarHBondContact O-N 2.99Å; T34-L36 VanDerWaalsContact C-N 3.32Å; T34-L36 PolarHBondContact O-N 3.49Å; T34-S37 PolarHBondContact O-N 3.29Å; T34-A38 PolarHBondContact O-N 2.99Å
35A88.6Confident77.2Confident5 Ų545.6 Ų45.64%0.04125%0.254CS..Hα-helixtrans-59.9-42.4176.400000112D31 V32 A38 L122 F127 F130D31-A35 PolarHBondContact O-N 3.44Å; D31-A35 VanDerWaalsContact O-N 3.08Å; V32-A35 PolarHBondContact O-N 2.67Å; A35-A38 PolarHBondContact O-N 2.68Å; A35-L122 HydrophobicContact CB-CD2 4.12Å; A35-F127 HydrophobicContact CB-CD1 4.36Å; A35-F127 HydrophobicContact CB-CE1 3.95Å; A35-F130 HydrophobicContact CB-CD1 4.16Å
36L89Confident76.7Confident11 Ų1151.2 Ų51.26%0.05828%0.275CS..Hα-helixtrans-68.8-39.6176.9-67.9170.2000113T4 L8 V32 T34 A38 L39 D40 L122 L369 W372T4-L36 HydrophobicContact CG2-CB 3.83Å; T4-L36 HydrophobicContact CG2-CD1 3.82Å; L8-L36 HydrophobicContact CD1-CD1 4.17Å; L8-L36 HydrophobicContact CD2-CD1 4.5Å; V32-L36 HydrophobicContact CG1-CD1 3.83Å; V32-L36 HydrophobicContact CG1-CG 4.38Å; V32-L36 WeakPolarHBondContact O-CB 3.41Å; V32-L36 VanDerWaalsContact O-CG 3.28Å; V32-L36 WeakPolarHBondContact O-CG 3.23Å; V32-L36 PolarHBondContact O-N 3.16Å; T34-L36 VanDerWaalsContact C-N 3.32Å; T34-L36 PolarHBondContact O-N 3.49Å; L36-A38 VanDerWaalsContact C-N 3.27Å; L36-A38 PolarHBondContact O-N 2.97Å; L36-L39 WeakPolarHBondContact O-CB 3.31Å; L36-L39 PolarHBondContact O-N 2.95Å; L36-D40 PolarHBondContact O-N 2.57Å; L36-L122 HydrophobicContact CD2-CD1 4.19Å; L36-L369 HydrophobicContact CD2-CD1 4.23Å; L36-W372 HydrophobicContact CD1-CD2 3.58Å; L36-W372 VanDerWaalsContact CD1-CE2 3.43Å; L36-W372 HydrophobicContact CD1-CE3 4.2Å; L36-W372 HydrophobicContact CD1-CG 3.8Å; L36-W372 HydrophobicContact CD1-CZ2 3.94Å; L36-W372 HydrophobicContact CD2-CG 4.49Å
37S87.4Confident75.9Confident10 Ų1050.5 Ų50.57%0.0728%0.278CS..Hα-helixtrans-66.6-31.5177.4-61.10000111.9M1 A33 T34 L39 D40 N41M1-S37 WeakPolarHBondContact CA-OG 3.29Å; A33-S37 VanDerWaalsContact O-CB 3.27Å; A33-S37 WeakPolarHBondContact O-CB 3.31Å; A33-S37 PolarHBondContact O-N 2.89Å; A33-S37 PolarHBondContact O-OG 2.85Å; T34-S37 PolarHBondContact O-N 3.29Å; S37-L39 VanDerWaalsContact C-N 3.27Å; S37-L39 PolarHBondContact O-N 3.19Å; S37-D40 PolarHBondContact O-N 3.02Å; S37-N41 PolarHBondContact O-N 3.11Å; S37-N41 VanDerWaalsContact O-N 3.15Å; S37-N41 PolarHBondContact O-ND2 3.16Å
38A82.7Confident74.6Confident41 Ų4148.9 Ų48.934%0.33928%0.279SS..Hα-helixtrans-63.1-34.3174.800000112.2T34 A35 L36 N42 F127T34-A38 PolarHBondContact O-N 2.99Å; A35-A38 PolarHBondContact O-N 2.68Å; L36-A38 VanDerWaalsContact C-N 3.27Å; L36-A38 PolarHBondContact O-N 2.97Å; A38-N42 WeakPolarHBondContact O-CB 3.26Å; A38-N42 PolarHBondContact O-N 3.22Å; A38-F127 HydrophobicContact CB-CE1 4.41Å
39L78.6Confident73Confident13 Ų1354.3 Ų54.37%0.06830%0.303CS..Hα-helixtrans-69.4-40.4173.3-82161.5000113.1L36 S37 N41 N42 L45 R46 P121 L122L36-L39 WeakPolarHBondContact O-CB 3.31Å; L36-L39 PolarHBondContact O-N 2.95Å; S37-L39 VanDerWaalsContact C-N 3.27Å; S37-L39 PolarHBondContact O-N 3.19Å; L39-N41 VanDerWaalsContact C-N 3.3Å; L39-N41 PolarHBondContact O-N 3Å; L39-N42 PolarHBondContact O-N 2.99Å; L39-L45 HydrophobicContact CD2-CB 3.9Å; L39-R46 PolarHBondContact O-NE 3.05Å; L39-P121 HydrophobicContact CD1-CB 3.83Å; L39-P121 HydrophobicContact CD1-CG 4.5Å; L39-P121 HydrophobicContact CD2-CB 3.58Å; L39-P121 WeakPolarHBondContact CD2-O 3.11Å; L39-P121 HydrophobicContact CG-CB 4.36Å; L39-L122 HydrophobicContact CD1-CD1 4.47Å; L39-L122 HydrophobicContact CD1-CD2 3.35Å; L39-L122 HydrophobicContact CD1-CG 3.64Å; L39-L122 HydrophobicContact CG-CD2 4.22Å
40D75.4Confident71.2Confident80 Ų8060.2 Ų60.243%0.42833%0.329SS..Hα-helixtrans-66.5-36-178.9-72.7-22.7000112.4L36 S37 N42 R46L36-D40 PolarHBondContact O-N 2.57Å; S37-D40 PolarHBondContact O-N 3.02Å; D40-N42 VanDerWaalsContact C-N 3.35Å; D40-R46 IonicContact OD1-CZ 3.91Å; D40-R46 IonicContact OD1-NH2 3.2Å; D40-R46 PolarHBondContact OD1-NH2 3.15Å
41N72.6Confident69.2Low142 Ų14261.7 Ų61.776%0.75934%0.337SS*.Hα-helixtrans-80.3-14.5-179-67.1-20.7000113.7S37 L39S37-N41 PolarHBondContact O-N 3.11Å; S37-N41 VanDerWaalsContact O-N 3.15Å; S37-N41 PolarHBondContact O-ND2 3.16Å; L39-N41 VanDerWaalsContact C-N 3.3Å; L39-N41 PolarHBondContact O-N 3Å
42N64.5Low67.2Low66 Ų6662.2 Ų62.235%0.35334%0.342SS..  trans-126.793.7-171.6-161.8-5.5000112.3A38 L39 D40 T44 L45A38-N42 WeakPolarHBondContact O-CB 3.26Å; A38-N42 PolarHBondContact O-N 3.22Å; L39-N42 PolarHBondContact O-N 2.99Å; D40-N42 VanDerWaalsContact C-N 3.35Å; N42-T44 PolarHBondContact O-N 3.48Å; N42-T44 VanDerWaalsContact O-N 3.15Å; N42-T44 PolarHBondContact OD1-N 3.04Å; N42-T44 PolarHBondContact OD1-OG1 3.05Å; N42-L45 HydrophobicContact CB-CB 4.38Å; N42-L45 HydrophobicContact CB-CD1 3.77Å; N42-L45 HydrophobicContact CB-CG 3.74Å; N42-L45 WeakPolarHBondContact O-CB 3.19Å; N42-L45 PolarHBondContact O-N 3.49Å
43V57.6Low65.2Low108 Ų10866.8 Ų66.866%0.65538%0.379SS*.Hα-helixtrans-56.1-30.9178.9-178.80000112.2L45 R46 A47V43-L45 VanDerWaalsContact C-N 3.26Å; V43-L45 PolarHBondContact O-N 2.97Å; V43-R46 WeakPolarHBondContact O-CB 3.22Å; V43-R46 PolarHBondContact O-N 3.45Å; V43-A47 PolarHBondContact O-N 3.05Å
44T53.6Low63.3Low105 Ų10574.7 Ų74.764%0.64442%0.42SS*.Hα-helixtrans-68.2-25.4176.862.20000112.8N42 R46N42-T44 PolarHBondContact O-N 3.48Å; N42-T44 VanDerWaalsContact O-N 3.15Å; N42-T44 PolarHBondContact OD1-N 3.04Å; N42-T44 PolarHBondContact OD1-OG1 3.05Å; T44-R46 VanDerWaalsContact C-N 3.31Å
45L56.5Low61.7Low26 Ų2673.4 Ų73.414%0.13641%0.411CS..Hα-helixtrans-76.1-22.4172.2-55.9-176.5000112.3L39 N42 V43 L126L39-L45 HydrophobicContact CD2-CB 3.9Å; N42-L45 HydrophobicContact CB-CB 4.38Å; N42-L45 HydrophobicContact CB-CD1 3.77Å; N42-L45 HydrophobicContact CB-CG 3.74Å; N42-L45 WeakPolarHBondContact O-CB 3.19Å; N42-L45 PolarHBondContact O-N 3.49Å; V43-L45 VanDerWaalsContact C-N 3.26Å; V43-L45 PolarHBondContact O-N 2.97Å; L45-L126 HydrophobicContact CD2-CD1 3.78Å; L45-L126 HydrophobicContact CD2-CD2 3.57Å; L45-L126 HydrophobicContact CD2-CG 4.23Å
46R54Low60.2Low119 Ų11978.9 Ų78.945%0.44945%0.446SS..Hα-helixtrans-84.2-18179.3-66.1-177.4171.5-163.5-6.4114.1L39 D40 V43 T44L39-R46 PolarHBondContact O-NE 3.05Å; D40-R46 IonicContact OD1-CZ 3.91Å; D40-R46 IonicContact OD1-NH2 3.2Å; D40-R46 PolarHBondContact OD1-NH2 3.15Å; V43-R46 WeakPolarHBondContact O-CB 3.22Å; V43-R46 PolarHBondContact O-N 3.45Å; T44-R46 VanDerWaalsContact C-N 3.31Å
47A50.1Low59.5Low49 Ų4981.5 Ų81.541%0.40547%0.466SS..  trans-93.8144.2-171.600000113.7V43 L119V43-A47 PolarHBondContact O-N 3.05Å; A47-L119 WeakPolarHBondContact O-CD2 3.32Å
48P50.3Low59.5Low49 Ų4987.5 Ų87.532%0.31849%0.487SS..  cis-94.2131.2-0.632.9-24.6000112.1F50P48-F50 HydrophobicContact CB-CD2 4.29Å; P48-F50 PolarHBondContact O-N 2.93Å
49Q47.1Very low59.9Low146 Ų14685.6 Ų85.668%0.68247%0.471SS*.  trans-80.790.9144.6-71.5-178.36.600106.3L51Q49-L51 HydrophobicContact CB-CD1 3.95Å; Q49-L51 PolarHBondContact O-N 3.2Å
50F46.8Very low60.6Low126 Ų12689.7 Ų89.755%0.55349%0.488SS*.  trans-70.381.6155.1-110-85.2000106P48 P52P48-F50 HydrophobicContact CB-CD2 4.29Å; P48-F50 PolarHBondContact O-N 2.93Å; F50-P52 WeakPolarHBondContact O-CD 3.49Å
51L43.4Very low61.6Low105 Ų10586 Ų8655%0.5547%0.468SS..  trans-64120.4154.3-101.383.8000104.6Q49 A53Q49-L51 HydrophobicContact CB-CD1 3.95Å; Q49-L51 PolarHBondContact O-N 3.2Å; L51-A53 PolarHBondContact O-N 3.02Å
52P45.6Very low62.7Low40 Ų4079.3 Ų79.326%0.2643%0.432SS..  trans-56.7123.6169.1-9.821.7000106.5F50 L54 L55 V116F50-P52 WeakPolarHBondContact O-CD 3.49Å; P52-L54 PolarHBondContact O-N 3.08Å; P52-L55 HydrophobicContact CB-CD2 3.7Å; P52-L55 HydrophobicContact CB-CG 3.74Å; P52-L55 HydrophobicContact CG-CD1 4.34Å; P52-L55 HydrophobicContact CG-CD2 3.91Å; P52-L55 HydrophobicContact CG-CG 3.89Å; P52-V116 HydrophobicContact CG-CG2 3.8Å
53A47.5Very low64.3Low96 Ų9676.2 Ų76.279%0.79342%0.416SS*.SBendtrans-42.4119.1147.600000105.5L51 L55L51-A53 PolarHBondContact O-N 3.02Å; A53-L55 PolarHBondContact O-N 2.87Å; A53-L55 VanDerWaalsContact O-N 3.11Å
54L49.6Very low66.3Low165 Ų16571 Ų7186%0.86439%0.385SS*.SBendtrans-1.6101.2-179.4-85.8132.5000111.5P52 P56P52-L54 PolarHBondContact O-N 3.08Å; L54-P56 WeakPolarHBondContact O-CA 3.27Å; L54-P56 WeakPolarHBondContact O-CD 3.33Å
55L54.9Low68.4Low39 Ų3966 Ų6620%0.20435%0.354CS..  trans-46.7111.9177.5-75.1167.5000107.2P52 A53 S57 L91P52-L55 HydrophobicContact CB-CD2 3.7Å; P52-L55 HydrophobicContact CB-CG 3.74Å; P52-L55 HydrophobicContact CG-CD1 4.34Å; P52-L55 HydrophobicContact CG-CD2 3.91Å; P52-L55 HydrophobicContact CG-CG 3.89Å; A53-L55 PolarHBondContact O-N 2.87Å; A53-L55 VanDerWaalsContact O-N 3.11Å; L55-S57 PolarHBondContact O-N 3.35Å; L55-L91 HydrophobicContact CD1-CD2 4.1Å; L55-L91 HydrophobicContact CD2-CD1 4.26Å
56P57.3Low70.4Confident120 Ų12064.9 Ų64.978%0.77935%0.348SS*.SBendtrans-66.3-20.1-162.820.7-32000112L54L54-P56 WeakPolarHBondContact O-CA 3.27Å; L54-P56 WeakPolarHBondContact O-CD 3.33Å
57S74.4Confident72.4Confident67 Ų6759.2 Ų59.247%0.46933%0.326SS..SBendtrans-144.9149.6174.561.30000110.5L55 R114L55-S57 PolarHBondContact O-N 3.35Å; S57-R114 PolarHBondContact O-NH1 2.99Å; S57-R114 PolarHBondContact OG-NH1 2.97Å
58R87Confident74.5Confident135 Ų13558.4 Ų58.451%0.50931%0.314SS..  trans-59.3126.4173.4177.7171.4168.7164.1-1.3110.1D183R58-D183 PolarHBondContact NE-O 3.5Å; R58-D183 VanDerWaalsContact NE-O 3.16Å; R58-D183 PolarHBondContact NH1-O 3.05Å; R58-D183 IonicContact NH1-OD2 3.39Å; R58-D183 PolarHBondContact NH1-OD2 3.12Å
59P91.6Very high76.5Confident2 Ų261.4 Ų61.41%0.01333%0.328CS..  trans-68.3146.6173.729.5-33.5000110.9I62 L91 Y184P59-I62 HydrophobicContact CG-CD1 4.37Å; P59-I62 HydrophobicContact CG-CG1 4.04Å; P59-L91 HydrophobicContact CB-CB 3.84Å; P59-L91 HydrophobicContact CG-CB 4.17Å; P59-Y184 HydrophobicContact CG-CD2 4.21Å; P59-Y184 WeakPolarHBondContact O-CD2 3.31Å; P59-Y184 VanDerWaalsContact O-CE2 3.27Å; P59-Y184 WeakPolarHBondContact O-CE2 3.49Å
60K93.2Very high78.7Confident98 Ų9856.7 Ų56.743%0.42630%0.303SS..SBendtrans-79.3-35.3173.4-174.3172.7169.4-166.40111.5D89 Y184 D206K60-D89 HydrophobicContact CB-CB 4Å; K60-D89 PolarHBondContact N-O 2.66Å; K60-Y184 WeakPolarHBondContact O-CE2 3.26Å; K60-Y184 PolarHBondContact O-OH 3.2Å; K60-D206 VanDerWaalsContact CE-OD2 3.22Å; K60-D206 WeakPolarHBondContact CE-OD2 3.45Å; K60-D206 IonicContact NZ-OD1 3.45Å; K60-D206 IonicContact NZ-OD2 3.22Å; K60-D206 PolarHBondContact NZ-OD2 2.84Å
61W95.4Very high80.9Confident4 Ų452 Ų522%0.01529%0.285CS..EExtended strand (participates in β ladder)trans-131.2142.1176-53.7-83.5000111N86 D89 A90 L91 Y184 L202 D206W61-N86 HydrophobicContact CH2-CB 4.24Å; W61-N86 HydrophobicContact CZ3-CB 4.3Å; W61-D89 HydrophobicContact CE3-CB 4.08Å; W61-D89 HydrophobicContact CZ3-CB 3.73Å; W61-A90 HydrophobicContact CB-CB 4.2Å; W61-A90 HydrophobicContact CE3-CB 4.45Å; W61-A90 CarbonylContact O-C 3.51Å; W61-A90 VanDerWaalsContact O-CA 3.31Å; W61-A90 WeakPolarHBondContact O-CA 3.26Å; W61-L91 PolarHBondContact O-N 3.2Å; W61-Y184 WeakPolarHBondContact CA-OH 3.33Å; W61-L202 HydrophobicContact CB-CD2 4.15Å; W61-L202 HydrophobicContact CD2-CD1 4.06Å; W61-L202 HydrophobicContact CD2-CD2 3.81Å; W61-L202 HydrophobicContact CD2-CG 4.34Å; W61-L202 HydrophobicContact CE3-CD1 3.73Å; W61-L202 HydrophobicContact CE3-CD2 4.34Å; W61-L202 HydrophobicContact CE3-CG 4.47Å; W61-L202 HydrophobicContact CG-CD2 3.72Å; W61-L202 HydrophobicContact CH2-CB 4.14Å; W61-L202 HydrophobicContact CH2-CD1 4.25Å; W61-L202 HydrophobicContact CZ2-CB 3.91Å; W61-L202 HydrophobicContact CZ3-CD1 3.83Å; W61-D206 VanDerWaalsContact CZ2-CG 3.46Å; W61-D206 WeakPolarHBondContact CZ2-OD1 2.96Å; W61-D206 VanDerWaalsContact CZ2-OD2 3.26Å; W61-D206 WeakPolarHBondContact CZ2-OD2 3.36Å; W61-D206 PolarHBondContact NE1-OD1 3.41Å
62I97Very high83.3Confident0 Ų052.5 Ų52.50%029%0.288CS..EExtended strand (participates in β ladder)trans-110.3122.9165.6-62.2-176.6000107.3P59 V64 L91 V93 I178 V179 Y184 V188 L189P59-I62 HydrophobicContact CG-CD1 4.37Å; P59-I62 HydrophobicContact CG-CG1 4.04Å; I62-V64 HydrophobicContact CG2-CG2 4.07Å; I62-L91 WeakPolarHBondContact CA-O 3.31Å; I62-L91 HydrophobicContact CG1-CB 4.44Å; I62-V93 HydrophobicContact CG2-CG2 4.1Å; I62-I178 HydrophobicContact CD1-CG2 4.29Å; I62-V179 HydrophobicContact CD1-CG2 4.04Å; I62-Y184 HydrophobicContact CB-CD1 4.48Å; I62-Y184 HydrophobicContact CB-CE1 4.11Å; I62-Y184 HydrophobicContact CD1-CD1 3.45Å; I62-Y184 VanDerWaalsContact CD1-CD1 3.45Å; I62-Y184 HydrophobicContact CD1-CD2 4.22Å; I62-Y184 HydrophobicContact CD1-CE1 3.97Å; I62-Y184 HydrophobicContact CD1-CG 3.59Å; I62-Y184 HydrophobicContact CG1-CD1 3.85Å; I62-Y184 HydrophobicContact CG1-CD2 4.23Å; I62-Y184 HydrophobicContact CG1-CE1 3.84Å; I62-Y184 HydrophobicContact CG1-CE2 4.26Å; I62-Y184 HydrophobicContact CG1-CG 4.03Å; I62-V188 HydrophobicContact CB-CG2 4.38Å; I62-V188 HydrophobicContact CG2-CG1 4.19Å; I62-V188 WeakPolarHBondContact O-CA 3.49Å; I62-L189 PolarHBondContact O-N 3.26Å
63I98.4Very high85.7Confident1 Ų151.7 Ų51.71%0.00528%0.28CS..EExtended strand (participates in β ladder)trans-116.2123.2176.5-51.2178000107.7L81 I87 A90 L91 L92 V93 L189 L191 L202I63-L81 HydrophobicContact CD1-CD2 4.36Å; I63-I87 HydrophobicContact CD1-CD1 4.08Å; I63-A90 HydrophobicContact CD1-CB 4.41Å; I63-L91 PolarHBondContact N-O 3Å; I63-L92 HydrophobicContact CB-CD2 3.65Å; I63-L92 HydrophobicContact CD1-CD2 3.8Å; I63-L92 HydrophobicContact CG1-CD2 4.1Å; I63-L92 HydrophobicContact CG2-CD2 4.21Å; I63-L92 CarbonylContact O-C 3.42Å; I63-L92 WeakPolarHBondContact O-CA 3.49Å; I63-V93 PolarHBondContact O-N 3.16Å; I63-L189 CarbonylContact C-O 3.05Å; I63-L189 WeakPolarHBondContact CA-O 3.32Å; I63-L189 HydrophobicContact CD1-CD2 4.46Å; I63-L189 HydrophobicContact CG1-CB 4.39Å; I63-L189 HydrophobicContact CG1-CD2 4.32Å; I63-L189 HydrophobicContact CG2-CB 4.48Å; I63-L189 HydrophobicContact CG2-CD2 4.25Å; I63-L189 HydrophobicContact CG2-CG 4.36Å; I63-L191 HydrophobicContact CG2-CD1 3.55Å; I63-L191 HydrophobicContact CG2-CG 3.99Å; I63-L202 HydrophobicContact CD1-CD2 4.27Å
64V98.3Very high88.1Confident0 Ų047.1 Ų47.10%024%0.243CC..EExtended strand (participates in β ladder)trans-109.7117.4-175.9-176.60000108.7I62 V93 K170 V174 V188 L189 F190 L191I62-V64 HydrophobicContact CG2-CG2 4.07Å; V64-V93 CarbonylContact C-O 3.54Å; V64-V93 WeakPolarHBondContact CA-O 3.33Å; V64-V93 HydrophobicContact CG2-CB 4.28Å; V64-K170 HydrophobicContact CG1-CD 3.57Å; V64-K170 HydrophobicContact CG1-CG 3.81Å; V64-V174 HydrophobicContact CG1-CG2 4.04Å; V64-V174 HydrophobicContact CG2-CB 4.45Å; V64-V174 HydrophobicContact CG2-CG1 3.99Å; V64-V174 HydrophobicContact CG2-CG2 3.67Å; V64-V188 HydrophobicContact CB-CG1 4.49Å; V64-V188 HydrophobicContact CG2-CG1 3.45Å; V64-V188 VanDerWaalsContact CG2-CG1 3.45Å; V64-L189 PolarHBondContact N-O 2.99Å; V64-F190 HydrophobicContact CB-CD1 3.95Å; V64-F190 HydrophobicContact CB-CE1 4.04Å; V64-F190 HydrophobicContact CG1-CD1 4.09Å; V64-F190 HydrophobicContact CG1-CE1 4.03Å; V64-F190 HydrophobicContact CG2-CE1 4.29Å; V64-F190 WeakPolarHBondContact O-CA 3.46Å; V64-L191 PolarHBondContact O-N 3.47Å
65V98.4Very high90.3Very high0 Ų044.1 Ų44.10%022%0.222CC..EExtended strand (participates in β ladder)trans-103.8122.3-179.6-175.90000109.3V67 L77 V93 F94 S95 L191V65-V67 HydrophobicContact CG1-CG2 3.9Å; V65-L77 HydrophobicContact CG1-CD2 3.52Å; V65-L77 HydrophobicContact CG2-CD2 4.21Å; V65-V93 PolarHBondContact N-O 3.5Å; V65-F94 HydrophobicContact CB-CD1 3.84Å; V65-F94 HydrophobicContact CB-CE1 4.1Å; V65-F94 HydrophobicContact CG1-CD1 4.06Å; V65-F94 HydrophobicContact CG1-CE1 4.2Å; V65-F94 HydrophobicContact CG2-CD1 4.22Å; V65-F94 HydrophobicContact CG2-CE1 4.02Å; V65-S95 PolarHBondContact O-N 3.42Å; V65-L191 CarbonylContact C-O 3.58Å; V65-L191 WeakPolarHBondContact CA-O 3.39Å; V65-L191 HydrophobicContact CG2-CB 4.39Å
66Q97.3Very high92.3Very high2 Ų244.5 Ų44.51%0.00922%0.223CC..EExtended strand (participates in β ladder)trans-80.6123.3165.7-159.6164.1-67.500110H68 K170 L191 E192 E193Q66-H68 PolarHBondContact NE2-CE1 2.92Å; Q66-H68 VanDerWaalsContact NE2-CE1 3.32Å; Q66-H68 PolarHBondContact NE2-NE2 3.32Å; Q66-H68 VanDerWaalsContact NE2-NE2 3.17Å; Q66-K170 VanDerWaalsContact CB-NZ 3.33Å; Q66-L191 PolarHBondContact N-O 3.31Å; Q66-E192 HydrophobicContact CB-CG 4.43Å; Q66-E193 PolarHBondContact O-N 3.17Å
67V96.5Very high94.3Very high0 Ų038.8 Ų38.80%019%0.186CC..EExtended strand (participates in β ladder)trans-116.5125.6-177.3-1740000108.9V65 L74 F94 S95 D97 I103V65-V67 HydrophobicContact CG1-CG2 3.9Å; V67-L74 HydrophobicContact CG1-CD2 3.93Å; V67-L74 HydrophobicContact CG2-CD1 4.18Å; V67-F94 HydrophobicContact CG2-CB 4.3Å; V67-F94 HydrophobicContact CG2-CD1 3.92Å; V67-S95 PolarHBondContact N-O 3.3Å; V67-D97 PolarHBondContact O-N 2.93Å; V67-D97 VanDerWaalsContact O-N 3.16Å; V67-I103 HydrophobicContact CG1-CD1 4.09Å; V67-I103 HydrophobicContact CG1-CG2 3.78Å
68H93.9Very high95.4Very high31 Ų3136.4 Ų36.414%0.14417%0.168CC..  trans-103.2-134.6169.5-53.7-74.3000109.5Q66 D97 I103 E193Q66-H68 PolarHBondContact NE2-CE1 2.92Å; Q66-H68 VanDerWaalsContact NE2-CE1 3.32Å; Q66-H68 PolarHBondContact NE2-NE2 3.32Å; Q66-H68 VanDerWaalsContact NE2-NE2 3.17Å; H68-D97 VanDerWaalsContact CA-OD1 3.28Å; H68-D97 WeakPolarHBondContact CA-OD1 3.45Å; H68-D97 IonicContact CE1-OD2 2.8Å; H68-D97 PolarHBondContact CE1-OD2 3.47Å; H68-D97 IonicContact CG-OD1 3.78Å; H68-D97 IonicContact CG-OD2 3.8Å; H68-D97 VanDerWaalsContact ND1-CG 3.3Å; H68-D97 IonicContact ND1-OD1 3.82Å; H68-D97 PolarHBondContact ND1-OD1 3.38Å; H68-D97 IonicContact ND1-OD2 2.74Å; H68-D97 PolarHBondContact ND1-OD2 3.43Å; H68-I103 WeakPolarHBondContact O-CD1 3.39Å; H68-E193 WeakPolarHBondContact CA-OE2 3.29Å; H68-E193 VanDerWaalsContact CB-OE1 3.26Å; H68-E193 WeakPolarHBondContact CB-OE1 3.38Å; H68-E193 IonicContact CD2-OE1 3.1Å; H68-E193 IonicContact CG-OE1 3.94Å; H68-E193 PolarHBondContact N-OE2 3.38Å
69D92.3Very high96Very high113 Ų11333.8 Ų33.860%0.60416%0.162SC*.SBendtrans-106.65.8-178.268-10.4000113.8V71 V98D69-V71 PolarHBondContact O-N 3.29Å; D69-V98 HydrophobicContact CB-CG1 4.27Å; D69-V98 HydrophobicContact CB-CG2 4.38Å
70R93Very high96.3Very high46 Ų4633.8 Ų33.817%0.17416%0.162CC..  trans-8975.8-172.8-56176-68.5170-2.8111.9D72 Y73 L74 E193 D194 C310R70-D72 VanDerWaalsContact C-N 3.3Å; R70-D72 PolarHBondContact O-N 2.75Å; R70-D72 VanDerWaalsContact O-N 3.17Å; R70-Y73 HydrophobicContact CB-CD2 3.71Å; R70-Y73 HydrophobicContact CG-CD2 4.32Å; R70-Y73 PolarHBondContact O-N 3.33Å; R70-Y73 VanDerWaalsContact O-N 3.13Å; R70-L74 PolarHBondContact O-N 2.94Å; R70-E193 VanDerWaalsContact CB-OE1 3.3Å; R70-E193 WeakPolarHBondContact CB-OE1 3.44Å; R70-E193 WeakPolarHBondContact CG-OE1 3.35Å; R70-E193 IonicContact CZ-OE1 2.68Å; R70-E193 PolarHBondContact N-OE1 3.37Å; R70-E193 PolarHBondContact N-OE2 2.99Å; R70-E193 IonicContact NE-OE1 2.66Å; R70-E193 PolarHBondContact NE-OE1 2.67Å; R70-E193 IonicContact NH2-OE1 3.31Å; R70-E193 PolarHBondContact NH2-OE1 3.48Å; R70-D194 IonicContact CZ-OD2 3.95Å; R70-D194 IonicContact NH1-OD2 3.92Å; R70-D194 PolarHBondContact NH1-OD2 3.15Å; R70-D194 VanDerWaalsContact NH2-CG 3.31Å; R70-D194 IonicContact NH2-OD2 3.22Å; R70-D194 PolarHBondContact NH2-OD2 3.4Å; R70-C310 PolarHBondContact NH1-O 3.05Å
71V94Very high96.5Very high27 Ų2729.1 Ų29.116%0.16414%0.142CC..Hα-helixtrans-47.6-45.3-176.8-179.70000113.8D69 Y73 L74 K75 K102 I103 I106D69-V71 PolarHBondContact O-N 3.29Å; V71-Y73 PolarHBondContact O-N 3.24Å; V71-L74 PolarHBondContact O-N 3.49Å; V71-K75 WeakPolarHBondContact O-CG 3.45Å; V71-K75 PolarHBondContact O-N 2.92Å; V71-K102 HydrophobicContact CG2-CB 4.46Å; V71-I103 HydrophobicContact CG2-CD1 4.28Å; V71-I103 HydrophobicContact CG2-CG1 3.85Å; V71-I106 HydrophobicContact CG1-CD1 3.75Å
72D93.6Very high96.7Very high116 Ų11633.8 Ų33.862%0.6216%0.164SC*.Hα-helixtrans-69.8-35.3-174.4-63-39.4000112.4R70 K75 E76R70-D72 VanDerWaalsContact C-N 3.3Å; R70-D72 PolarHBondContact O-N 2.75Å; R70-D72 VanDerWaalsContact O-N 3.17Å; D72-K75 PolarHBondContact O-N 2.58Å; D72-K75 IonicContact OD1-NZ 2.89Å; D72-E76 PolarHBondContact O-N 2.89Å
73Y96Very high96.7Very high24 Ų2438.7 Ų38.79%0.09419%0.187CC..Hα-helixtrans-68.1-42.8174-72.5-48000111.5R70 V71 K75 E76 L77 E193 D194 I307 D309 C310 C319R70-Y73 HydrophobicContact CB-CD2 3.71Å; R70-Y73 HydrophobicContact CG-CD2 4.32Å; R70-Y73 PolarHBondContact O-N 3.33Å; R70-Y73 VanDerWaalsContact O-N 3.13Å; V71-Y73 PolarHBondContact O-N 3.24Å; Y73-K75 VanDerWaalsContact C-N 3.27Å; Y73-K75 PolarHBondContact O-N 3.44Å; Y73-E76 PolarHBondContact O-N 3.02Å; Y73-E76 VanDerWaalsContact O-N 3.12Å; Y73-L77 PolarHBondContact O-N 3.16Å; Y73-E193 CarbonylContact C-O 3.55Å; Y73-E193 WeakPolarHBondContact CB-O 2.8Å; Y73-E193 VanDerWaalsContact O-O 3.1Å; Y73-D194 HydrophobicContact CD1-CB 4.49Å; Y73-D194 HydrophobicContact CD2-CB 4.1Å; Y73-D194 HydrophobicContact CG-CB 4.01Å; Y73-I307 HydrophobicContact CD1-CD1 3.83Å; Y73-I307 HydrophobicContact CD1-CG1 3.94Å; Y73-I307 HydrophobicContact CE1-CD1 4.48Å; Y73-I307 HydrophobicContact CE1-CG1 4.35Å; Y73-I307 VanDerWaalsContact CE1-O 3.23Å; Y73-I307 WeakPolarHBondContact CE1-O 3.46Å; Y73-D309 PolarHBondContact OH-N 2.87Å; Y73-D309 VanDerWaalsContact OH-N 3.13Å; Y73-C310 WeakPolarHBondContact CE2-O 3.35Å; Y73-C310 PolarHBondContact OH-N 3.49Å; Y73-C319 PolarHBondContact OH-O 3.44Å
74L97.2Very high96.7Very high0 Ų038.9 Ų38.90%019%0.188CC..Hα-helixtrans-58.5-40.1175.8-179.564.3000111.9V67 R70 V71 E76 L77 V78 F94 I103 E193V67-L74 HydrophobicContact CG1-CD2 3.93Å; V67-L74 HydrophobicContact CG2-CD1 4.18Å; R70-L74 PolarHBondContact O-N 2.94Å; V71-L74 PolarHBondContact O-N 3.49Å; L74-E76 PolarHBondContact O-N 3.38Å; L74-L77 PolarHBondContact O-N 3.03Å; L74-V78 HydrophobicContact CD1-CG2 4.23Å; L74-V78 HydrophobicContact CG-CG2 4.42Å; L74-V78 WeakPolarHBondContact O-CG2 3.41Å; L74-V78 PolarHBondContact O-N 3.44Å; L74-F94 HydrophobicContact CD1-CD1 4.26Å; L74-F94 HydrophobicContact CD1-CE1 4.01Å; L74-I103 HydrophobicContact CD2-CB 4.33Å; L74-I103 HydrophobicContact CD2-CG1 4.28Å; L74-I103 HydrophobicContact CD2-CG2 3.65Å; L74-E193 HydrophobicContact CB-CB 4.33Å; L74-E193 HydrophobicContact CD1-CB 4.38Å; L74-E193 PolarHBondContact N-O 3.32Å
75K96.6Very high96.5Very high101 Ų10143 Ų4344%0.43920%0.203SC..Hα-helixtrans-59.4-46175.4-73.6176.3-178.9169.60111.9V71 D72 Y73 V78 H79 I106V71-K75 WeakPolarHBondContact O-CG 3.45Å; V71-K75 PolarHBondContact O-N 2.92Å; D72-K75 PolarHBondContact O-N 2.58Å; D72-K75 IonicContact OD1-NZ 2.89Å; Y73-K75 VanDerWaalsContact C-N 3.27Å; Y73-K75 PolarHBondContact O-N 3.44Å; K75-V78 PolarHBondContact O-N 2.81Å; K75-H79 VanDerWaalsContact O-CB 3.3Å; K75-H79 WeakPolarHBondContact O-CB 3.14Å; K75-H79 PolarHBondContact O-N 2.96Å; K75-I106 HydrophobicContact CD-CD1 4.34Å; K75-I106 HydrophobicContact CG-CD1 3.56Å; K75-I106 HydrophobicContact CG-CG1 4.22Å
76E97.4Very high96.4Very high48 Ų4847.7 Ų47.722%0.22423%0.228CC..Hα-helixtrans-65.7-38.1178.2-66-66.8149.800111.8D72 Y73 L74 S80 Y196 I307 L323 K327D72-E76 PolarHBondContact O-N 2.89Å; Y73-E76 PolarHBondContact O-N 3.02Å; Y73-E76 VanDerWaalsContact O-N 3.12Å; L74-E76 PolarHBondContact O-N 3.38Å; E76-S80 WeakPolarHBondContact O-CB 3.48Å; E76-S80 PolarHBondContact O-N 2.82Å; E76-S80 PolarHBondContact O-OG 3.28Å; E76-Y196 HydrophobicContact CB-CD2 4.35Å; E76-I307 HydrophobicContact CB-CD1 3.86Å; E76-L323 HydrophobicContact CB-CD1 4.34Å; E76-L323 HydrophobicContact CG-CD1 4.2Å; E76-L323 HydrophobicContact CG-CD2 3.83Å; E76-K327 IonicContact OE1-NZ 3.85Å; E76-K327 WeakPolarHBondContact OE2-CE 3.45Å; E76-K327 IonicContact OE2-NZ 2.76Å; E76-K327 PolarHBondContact OE2-NZ 2.98Å
77L98.6Very high96.3Very high0 Ų048 Ų480%023%0.23CC..Hα-helixtrans-61.2-51.5173.5175.458.5000111.1V65 Y73 L74 H79 S80 L81 L191 E192 N195 V197V65-L77 HydrophobicContact CG1-CD2 3.52Å; V65-L77 HydrophobicContact CG2-CD2 4.21Å; Y73-L77 PolarHBondContact O-N 3.16Å; L74-L77 PolarHBondContact O-N 3.03Å; L77-H79 VanDerWaalsContact C-N 3.32Å; L77-H79 PolarHBondContact O-N 3.24Å; L77-S80 PolarHBondContact O-N 2.8Å; L77-S80 VanDerWaalsContact O-N 3.13Å; L77-S80 PolarHBondContact O-OG 2.94Å; L77-L81 HydrophobicContact CD1-CD1 3.93Å; L77-L81 HydrophobicContact CD1-CG 4.08Å; L77-L81 HydrophobicContact CG-CD1 3.91Å; L77-L81 HydrophobicContact CG-CG 4.49Å; L77-L81 WeakPolarHBondContact O-CG 3.43Å; L77-L81 PolarHBondContact O-N 3.27Å; L77-L191 HydrophobicContact CD1-CD1 4.2Å; L77-E192 WeakPolarHBondContact CD2-O 3.28Å; L77-N195 WeakPolarHBondContact CB-O 3.29Å; L77-N195 HydrophobicContact CD1-CB 4.47Å; L77-N195 WeakPolarHBondContact CD1-O 3.35Å; L77-V197 HydrophobicContact CD1-CG1 4.33Å
78V98.4Very high96.3Very high16 Ų1650 Ų5010%0.09725%0.25CC..Hα-helixtrans-60-44.1179.7170.50000110.9L74 K75 S80 L81 E82 F94 I106 I110 F112L74-V78 HydrophobicContact CD1-CG2 4.23Å; L74-V78 HydrophobicContact CG-CG2 4.42Å; L74-V78 WeakPolarHBondContact O-CG2 3.41Å; L74-V78 PolarHBondContact O-N 3.44Å; K75-V78 PolarHBondContact O-N 2.81Å; V78-S80 VanDerWaalsContact C-N 3.34Å; V78-S80 PolarHBondContact O-N 2.78Å; V78-L81 PolarHBondContact O-N 2.93Å; V78-E82 PolarHBondContact O-N 3.25Å; V78-F94 HydrophobicContact CG2-CE1 4.18Å; V78-F94 HydrophobicContact CG2-CZ 4.18Å; V78-I106 HydrophobicContact CB-CG2 4.42Å; V78-I106 HydrophobicContact CG1-CG2 4.49Å; V78-I106 HydrophobicContact CG2-CG2 4.04Å; V78-I110 HydrophobicContact CG1-CD1 3.91Å; V78-I110 HydrophobicContact CG1-CG1 3.84Å; V78-I110 HydrophobicContact CG2-CD1 4.06Å; V78-F112 HydrophobicContact CG1-CE1 4.15Å; V78-F112 HydrophobicContact CG1-CZ 4.18Å
79H98.2Very high96.3Very high81 Ų8152.2 Ų52.238%0.37526%0.263SS..Hα-helixtrans-59.3-43.7174.3178.369000112K75 L77 L81 E82 H83K75-H79 VanDerWaalsContact O-CB 3.3Å; K75-H79 WeakPolarHBondContact O-CB 3.14Å; K75-H79 PolarHBondContact O-N 2.96Å; L77-H79 VanDerWaalsContact C-N 3.32Å; L77-H79 PolarHBondContact O-N 3.24Å; H79-L81 PolarHBondContact O-N 3.45Å; H79-E82 WeakPolarHBondContact O-CB 3.15Å; H79-E82 PolarHBondContact O-N 2.92Å; H79-H83 AromaticContact CE1-CE1 3.3Å; H79-H83 PolarHBondContact CE1-CE1 2.9Å; H79-H83 AromaticContact CE1-ND1 3.95Å; H79-H83 AromaticContact ND1-CE1 3.67Å; H79-H83 AromaticContact NE2-CE1 3.85Å; H79-H83 PolarHBondContact O-ND1 3.14Å
80S98.6Very high96.4Very high2 Ų246.9 Ų46.91%0.01423%0.234CC..Hα-helixtrans-66.7-36.8177.572.60000112.8E76 L77 V78 H83 V197E76-S80 WeakPolarHBondContact O-CB 3.48Å; E76-S80 PolarHBondContact O-N 2.82Å; E76-S80 PolarHBondContact O-OG 3.28Å; L77-S80 PolarHBondContact O-N 2.8Å; L77-S80 VanDerWaalsContact O-N 3.13Å; L77-S80 PolarHBondContact O-OG 2.94Å; V78-S80 VanDerWaalsContact C-N 3.34Å; V78-S80 PolarHBondContact O-N 2.78Å; S80-H83 PolarHBondContact O-N 3.41Å; S80-V197 WeakPolarHBondContact OG-CG2 3.4Å; S80-V197 PolarHBondContact OG-N 2.94Å; S80-V197 VanDerWaalsContact OG-N 3.16Å
81L98.6Very high96.5Very high0 Ų044.7 Ų44.70%023%0.226CC..Hα-helixtrans-65.9-38.2176.5-76.3166.5000112.3I63 L77 V78 H79 H83 V84 I87 L92 F112 L191 V197I63-L81 HydrophobicContact CD1-CD2 4.36Å; L77-L81 HydrophobicContact CD1-CD1 3.93Å; L77-L81 HydrophobicContact CD1-CG 4.08Å; L77-L81 HydrophobicContact CG-CD1 3.91Å; L77-L81 HydrophobicContact CG-CG 4.49Å; L77-L81 WeakPolarHBondContact O-CG 3.43Å; L77-L81 PolarHBondContact O-N 3.27Å; V78-L81 PolarHBondContact O-N 2.93Å; H79-L81 PolarHBondContact O-N 3.45Å; L81-H83 PolarHBondContact O-N 2.87Å; L81-V84 WeakPolarHBondContact O-CB 3.43Å; L81-V84 PolarHBondContact O-N 3.44Å; L81-I87 HydrophobicContact CD2-CD1 4.29Å; L81-I87 WeakPolarHBondContact O-CG1 3.34Å; L81-L92 HydrophobicContact CD1-CD1 4.09Å; L81-F112 HydrophobicContact CB-CE2 4.31Å; L81-F112 HydrophobicContact CB-CZ 4.32Å; L81-L191 HydrophobicContact CD2-CD1 4.41Å; L81-V197 HydrophobicContact CD2-CG2 3.87Å; L81-V197 HydrophobicContact CG-CG2 4.1Å
82E98.2Very high96.7Very high102 Ų10243.4 Ų43.448%0.47722%0.218SC..Hα-helixtrans-56.6-32.6175.9-175.6169.4-149.100112.4V78 H79 F112V78-E82 PolarHBondContact O-N 3.25Å; H79-E82 WeakPolarHBondContact O-CB 3.15Å; H79-E82 PolarHBondContact O-N 2.92Å; E82-F112 HydrophobicContact CB-CD1 3.69Å; E82-F112 HydrophobicContact CB-CE1 3.56Å; E82-F112 HydrophobicContact CB-CE2 4.48Å; E82-F112 HydrophobicContact CB-CG 4.22Å; E82-F112 HydrophobicContact CB-CZ 3.99Å; E82-F112 HydrophobicContact CG-CB 4.42Å; E82-F112 HydrophobicContact CG-CD1 3.54Å; E82-F112 HydrophobicContact CG-CE1 3.94Å; E82-F112 HydrophobicContact CG-CG 4.05Å
83H97.4Very high96.8Very high103 Ų10337.9 Ų37.948%0.47719%0.189SC..THydrogen-bonded Turntrans-88-0.3-179.9-66.479000113.7H79 S80 L81 R85H79-H83 AromaticContact CE1-CE1 3.3Å; H79-H83 PolarHBondContact CE1-CE1 2.9Å; H79-H83 AromaticContact CE1-ND1 3.95Å; H79-H83 AromaticContact ND1-CE1 3.67Å; H79-H83 AromaticContact NE2-CE1 3.85Å; H79-H83 PolarHBondContact O-ND1 3.14Å; S80-H83 PolarHBondContact O-N 3.41Å; L81-H83 PolarHBondContact O-N 2.87Å; H83-R85 PolarHBondContact O-N 2.82Å
84V97.6Very high96.8Very high5 Ų536.7 Ų36.73%0.0318%0.184CC..SBendtrans-72.8126.5176.6174.90000110L81 N86 I87 V197 L201 L202L81-V84 WeakPolarHBondContact O-CB 3.43Å; L81-V84 PolarHBondContact O-N 3.44Å; V84-N86 PolarHBondContact O-N 3.41Å; V84-I87 HydrophobicContact CB-CB 4.12Å; V84-I87 HydrophobicContact CB-CD1 4.31Å; V84-I87 HydrophobicContact CG1-CB 4.45Å; V84-I87 HydrophobicContact CG1-CD1 4.4Å; V84-I87 WeakPolarHBondContact O-CB 3.43Å; V84-I87 WeakPolarHBondContact O-CG2 3.23Å; V84-I87 PolarHBondContact O-N 2.99Å; V84-I87 VanDerWaalsContact O-N 3.16Å; V84-V197 HydrophobicContact CG2-CG2 3.6Å; V84-L201 HydrophobicContact CG1-CB 4.24Å; V84-L201 HydrophobicContact CG2-CB 4.37Å; V84-L201 HydrophobicContact CG2-CD2 4.49Å; V84-L202 HydrophobicContact CG1-CB 4.21Å; V84-L202 HydrophobicContact CG1-CD1 3.77Å; V84-L202 HydrophobicContact CG1-CG 3.69Å
85R95.6Very high96.8Very high85 Ų8536.7 Ų36.732%0.32118%0.184SC..THydrogen-bonded Turntrans-61.1129.9177.6-66.9-179.4-74179.5-5.5110.4H83 I87 P199 E337 N338H83-R85 PolarHBondContact O-N 2.82Å; R85-I87 VanDerWaalsContact C-N 3.3Å; R85-I87 PolarHBondContact O-N 3.05Å; R85-P199 PolarHBondContact N-O 3.14Å; R85-E337 IonicContact NH2-OE2 3.75Å; R85-N338 PolarHBondContact NH1-OD1 2.8Å
86N94.9Very high96.7Very high99 Ų9932 Ų3253%0.52916%0.164SC..THydrogen-bonded Turntrans64.624-177.8-46.2-45.5000114.9W61 V84 G88 D89W61-N86 HydrophobicContact CH2-CB 4.24Å; W61-N86 HydrophobicContact CZ3-CB 4.3Å; V84-N86 PolarHBondContact O-N 3.41Å; N86-G88 PolarHBondContact O-N 3.27Å; N86-G88 VanDerWaalsContact O-N 3.12Å; N86-D89 PolarHBondContact O-N 3.28Å
87I96.9Very high96.6Very high10 Ų1030.1 Ų30.15%0.05116%0.155CC..G310 helixtrans-58.7-24.9177.6-167.461.7000113.3I63 L81 V84 R85 D89 A90 L92 F112 C113 L202I63-I87 HydrophobicContact CD1-CD1 4.08Å; L81-I87 HydrophobicContact CD2-CD1 4.29Å; L81-I87 WeakPolarHBondContact O-CG1 3.34Å; V84-I87 HydrophobicContact CB-CB 4.12Å; V84-I87 HydrophobicContact CB-CD1 4.31Å; V84-I87 HydrophobicContact CG1-CB 4.45Å; V84-I87 HydrophobicContact CG1-CD1 4.4Å; V84-I87 WeakPolarHBondContact O-CB 3.43Å; V84-I87 WeakPolarHBondContact O-CG2 3.23Å; V84-I87 PolarHBondContact O-N 2.99Å; V84-I87 VanDerWaalsContact O-N 3.16Å; R85-I87 VanDerWaalsContact C-N 3.3Å; R85-I87 PolarHBondContact O-N 3.05Å; I87-D89 PolarHBondContact O-N 3.41Å; I87-A90 HydrophobicContact CD1-CB 4.07Å; I87-A90 VanDerWaalsContact O-CB 3.29Å; I87-A90 WeakPolarHBondContact O-CB 3.35Å; I87-A90 PolarHBondContact O-N 3.01Å; I87-L92 HydrophobicContact CD1-CD2 4.38Å; I87-F112 HydrophobicContact CG1-CD2 4.07Å; I87-F112 HydrophobicContact CG1-CE2 4.07Å; I87-F112 HydrophobicContact CG2-CD2 3.8Å; I87-C113 HydrophobicContact CG1-CB 4.32Å; I87-C113 VanDerWaalsContact O-CB 3.31Å; I87-C113 WeakPolarHBondContact O-CB 3.39Å; I87-L202 HydrophobicContact CD1-CD1 4.1Å
88G95.3Very high96.3Very high40 Ų4031.7 Ų31.741%0.41217%0.165SC..G310 helixtrans-57.7-28178.200000114.9N86 A90 F112N86-G88 PolarHBondContact O-N 3.27Å; N86-G88 VanDerWaalsContact O-N 3.12Å; G88-A90 VanDerWaalsContact C-N 3.27Å; G88-A90 PolarHBondContact O-N 3.13Å; G88-F112 WeakPolarHBondContact CA-O 3.4Å
89D93.8Very high95.9Very high79 Ų7937 Ų3742%0.42218%0.184SC..G310 helixtrans-81.9-6.5178.4-51.5-40.5000113K60 W61 N86 I87 R114K60-D89 HydrophobicContact CB-CB 4Å; K60-D89 PolarHBondContact N-O 2.66Å; W61-D89 HydrophobicContact CE3-CB 4.08Å; W61-D89 HydrophobicContact CZ3-CB 3.73Å; N86-D89 PolarHBondContact O-N 3.28Å; I87-D89 PolarHBondContact O-N 3.41Å; D89-R114 PolarHBondContact O-NH2 3.5Å
90A95.2Very high95.6Very high0 Ų034.4 Ų34.40%018%0.175CC..EExtended strand (participates in β ladder)trans-85.3159.1179.200000112.6W61 I63 I87 G88W61-A90 HydrophobicContact CB-CB 4.2Å; W61-A90 HydrophobicContact CE3-CB 4.45Å; W61-A90 CarbonylContact O-C 3.51Å; W61-A90 VanDerWaalsContact O-CA 3.31Å; W61-A90 WeakPolarHBondContact O-CA 3.26Å; I63-A90 HydrophobicContact CD1-CB 4.41Å; I87-A90 HydrophobicContact CD1-CB 4.07Å; I87-A90 VanDerWaalsContact O-CB 3.29Å; I87-A90 WeakPolarHBondContact O-CB 3.35Å; I87-A90 PolarHBondContact O-N 3.01Å; G88-A90 VanDerWaalsContact C-N 3.27Å; G88-A90 PolarHBondContact O-N 3.13Å
91L95.2Very high95.3Very high0 Ų038.5 Ų38.50%020%0.2CC..EExtended strand (participates in β ladder)trans-110.8118.4163175.764.9000108.3L55 P59 W61 I62 I63 V93 R114 V116 I178L55-L91 HydrophobicContact CD1-CD2 4.1Å; L55-L91 HydrophobicContact CD2-CD1 4.26Å; P59-L91 HydrophobicContact CB-CB 3.84Å; P59-L91 HydrophobicContact CG-CB 4.17Å; W61-L91 PolarHBondContact O-N 3.2Å; I62-L91 WeakPolarHBondContact CA-O 3.31Å; I62-L91 HydrophobicContact CG1-CB 4.44Å; I63-L91 PolarHBondContact N-O 3Å; L91-V93 HydrophobicContact CD2-CG2 4.34Å; L91-V93 HydrophobicContact CG-CG2 4.22Å; L91-R114 HydrophobicContact CD1-CB 3.93Å; L91-V116 HydrophobicContact CD1-CG2 3.97Å; L91-I178 HydrophobicContact CD2-CG2 3.87Å
92L96.7Very high95.1Very high0 Ų045.5 Ų45.50%023%0.23CC..EExtended strand (participates in β ladder)trans-90.9124.6172.4-57.8-172.8000110.1I63 L81 I87 F94 F112 C113 R114 T115 V116I63-L92 HydrophobicContact CB-CD2 3.65Å; I63-L92 HydrophobicContact CD1-CD2 3.8Å; I63-L92 HydrophobicContact CG1-CD2 4.1Å; I63-L92 HydrophobicContact CG2-CD2 4.21Å; I63-L92 CarbonylContact O-C 3.42Å; I63-L92 WeakPolarHBondContact O-CA 3.49Å; L81-L92 HydrophobicContact CD1-CD1 4.09Å; I87-L92 HydrophobicContact CD1-CD2 4.38Å; L92-F94 HydrophobicContact CB-CD2 4.25Å; L92-F94 HydrophobicContact CB-CE2 3.64Å; L92-F94 HydrophobicContact CB-CZ 4.3Å; L92-F94 HydrophobicContact CD1-CE2 3.97Å; L92-F94 HydrophobicContact CD1-CZ 3.97Å; L92-F94 HydrophobicContact CG-CE2 4.47Å; L92-F112 HydrophobicContact CD1-CE2 4.15Å; L92-C113 WeakPolarHBondContact CD1-SG 3.33Å; L92-C113 WeakPolarHBondContact CG-SG 3.32Å; L92-R114 PolarHBondContact N-O 2.75Å; L92-T115 HydrophobicContact CB-CG2 4.31Å; L92-T115 CarbonylContact O-C 3.46Å; L92-T115 VanDerWaalsContact O-CA 3.23Å; L92-T115 WeakPolarHBondContact O-CA 3.33Å; L92-V116 PolarHBondContact O-N 3.38Å
93V95.9Very high94.9Very high0 Ų040.7 Ų40.70%021%0.208CC..EExtended strand (participates in β ladder)trans-110.1103.8175.8-176.30000108.1I62 I63 V64 V65 L91 V116 L118 V174 I178I62-V93 HydrophobicContact CG2-CG2 4.1Å; I63-V93 PolarHBondContact O-N 3.16Å; V64-V93 CarbonylContact C-O 3.54Å; V64-V93 WeakPolarHBondContact CA-O 3.33Å; V64-V93 HydrophobicContact CG2-CB 4.28Å; V65-V93 PolarHBondContact N-O 3.5Å; L91-V93 HydrophobicContact CD2-CG2 4.34Å; L91-V93 HydrophobicContact CG-CG2 4.22Å; V93-V116 CarbonylContact C-O 3.45Å; V93-V116 WeakPolarHBondContact CA-O 3.33Å; V93-V116 HydrophobicContact CG2-CB 4.48Å; V93-L118 HydrophobicContact CG1-CD1 3.59Å; V93-L118 HydrophobicContact CG1-CG 3.88Å; V93-V174 HydrophobicContact CG1-CG2 4.31Å; V93-I178 HydrophobicContact CB-CD1 4.48Å; V93-I178 HydrophobicContact CG1-CD1 3.73Å; V93-I178 HydrophobicContact CG2-CD1 3.88Å
94F96.9Very high94.7Very high0 Ų036.6 Ų36.60%019%0.189CC..EExtended strand (participates in β ladder)trans-86.8123.8174.3-66.7-89.9000109.1V65 V67 L74 V78 L92 V107 I110 T115 V116 Q117 L118V65-F94 HydrophobicContact CB-CD1 3.84Å; V65-F94 HydrophobicContact CB-CE1 4.1Å; V65-F94 HydrophobicContact CG1-CD1 4.06Å; V65-F94 HydrophobicContact CG1-CE1 4.2Å; V65-F94 HydrophobicContact CG2-CD1 4.22Å; V65-F94 HydrophobicContact CG2-CE1 4.02Å; V67-F94 HydrophobicContact CG2-CB 4.3Å; V67-F94 HydrophobicContact CG2-CD1 3.92Å; L74-F94 HydrophobicContact CD1-CD1 4.26Å; L74-F94 HydrophobicContact CD1-CE1 4.01Å; V78-F94 HydrophobicContact CG2-CE1 4.18Å; V78-F94 HydrophobicContact CG2-CZ 4.18Å; L92-F94 HydrophobicContact CB-CD2 4.25Å; L92-F94 HydrophobicContact CB-CE2 3.64Å; L92-F94 HydrophobicContact CB-CZ 4.3Å; L92-F94 HydrophobicContact CD1-CE2 3.97Å; L92-F94 HydrophobicContact CD1-CZ 3.97Å; L92-F94 HydrophobicContact CG-CE2 4.47Å; F94-V107 HydrophobicContact CB-CG1 4.38Å; F94-V107 HydrophobicContact CB-CG2 4.32Å; F94-V107 HydrophobicContact CD1-CG2 3.97Å; F94-V107 HydrophobicContact CD2-CB 4.5Å; F94-V107 HydrophobicContact CD2-CG1 3.46Å; F94-V107 VanDerWaalsContact CD2-CG1 3.46Å; F94-V107 HydrophobicContact CD2-CG2 4.19Å; F94-V107 HydrophobicContact CE1-CG2 4.33Å; F94-V107 HydrophobicContact CE2-CG1 3.84Å; F94-V107 HydrophobicContact CG-CG1 3.94Å; F94-V107 HydrophobicContact CG-CG2 3.89Å; F94-I110 HydrophobicContact CE2-CD1 3.62Å; F94-I110 HydrophobicContact CZ-CD1 3.53Å; F94-T115 HydrophobicContact CE2-CG2 4.06Å; F94-V116 PolarHBondContact N-O 2.81Å; F94-Q117 HydrophobicContact CB-CG 4.42Å; F94-Q117 CarbonylContact O-C 3.54Å; F94-Q117 WeakPolarHBondContact O-CA 3.47Å; F94-L118 PolarHBondContact O-N 2.85Å
95S96.2Very high94.6Very high0 Ų039.7 Ų39.70%021%0.211CC..EExtended strand (participates in β ladder)trans-117.9113.2179.4-168.70000110.1V65 V67 L118 H166 K170V65-S95 PolarHBondContact O-N 3.42Å; V67-S95 PolarHBondContact N-O 3.3Å; S95-L118 CarbonylContact C-O 3.59Å; S95-L118 VanDerWaalsContact CA-O 3.27Å; S95-L118 WeakPolarHBondContact CA-O 3.34Å; S95-H166 PolarHBondContact O-CE1 3.31Å; S95-H166 PolarHBondContact O-NE2 2.77Å; S95-H166 PolarHBondContact OG-NE2 2.91Å; S95-K170 WeakPolarHBondContact OG-CD 3.36Å; S95-K170 WeakPolarHBondContact OG-CG 3.23Å
96H95.3Very high94.6Very high3 Ų337 Ų371%0.01420%0.203CC..EExtended strand (participates in β ladder)trans-100.9134.4-171.1-52-95.8000110.7I103 Q117 L118 L119 Y120H96-I103 VanDerWaalsContact CE1-CG2 3.46Å; H96-I103 WeakPolarHBondContact CE1-CG2 3.41Å; H96-I103 WeakPolarHBondContact ND1-CG2 3.41Å; H96-Q117 PolarHBondContact NE2-OE1 2.83Å; H96-L118 PolarHBondContact CD2-O 2.93Å; H96-L118 PolarHBondContact N-O 3.28Å; H96-L119 HydrophobicContact CB-CD1 3.73Å; H96-Y120 VanDerWaalsContact O-CB 3.25Å; H96-Y120 WeakPolarHBondContact O-CB 3.48Å; H96-Y120 PolarHBondContact O-N 3.18Å
97D94.4Very high94.6Very high8 Ų832.2 Ų32.24%0.04318%0.178CC..SBendtrans-99.3-3.7170.272.8-12.9000114.4V67 H68 R123 Q162 H166V67-D97 PolarHBondContact O-N 2.93Å; V67-D97 VanDerWaalsContact O-N 3.16Å; H68-D97 VanDerWaalsContact CA-OD1 3.28Å; H68-D97 WeakPolarHBondContact CA-OD1 3.45Å; H68-D97 IonicContact CE1-OD2 2.8Å; H68-D97 PolarHBondContact CE1-OD2 3.47Å; H68-D97 IonicContact CG-OD1 3.78Å; H68-D97 IonicContact CG-OD2 3.8Å; H68-D97 VanDerWaalsContact ND1-CG 3.3Å; H68-D97 IonicContact ND1-OD1 3.82Å; H68-D97 PolarHBondContact ND1-OD1 3.38Å; H68-D97 IonicContact ND1-OD2 2.74Å; H68-D97 PolarHBondContact ND1-OD2 3.43Å; D97-R123 WeakPolarHBondContact O-CB 3.23Å; D97-R123 WeakPolarHBondContact O-CG 3.42Å; D97-Q162 HydrophobicContact CB-CG 4.4Å; D97-Q162 PolarHBondContact OD2-NE2 3.11Å; D97-Q162 VanDerWaalsContact OD2-NE2 3.14Å; D97-H166 HydrophobicContact CB-CB 4.34Å
98V92.8Very high94.4Very high32 Ų3237.1 Ų37.119%0.19420%0.2CC..SBendtrans-134.2147.8173.3-12.80000109.2D69D69-V98 HydrophobicContact CB-CG1 4.27Å; D69-V98 HydrophobicContact CB-CG2 4.38Å
99Y91.2Very high94.4Very high128 Ų12838.4 Ų38.450%0.50221%0.207SC..  trans-84.1122.4167.5-176.8-93.3000111.5T101 N104 L119 E125Y99-T101 HydrophobicContact CE1-CG2 3.96Å; Y99-N104 WeakPolarHBondContact CE2-ND2 3.41Å; Y99-L119 HydrophobicContact CD2-CD2 4.03Å; Y99-E125 PolarHBondContact N-OE1 3.5Å
100S91.7Very high94.5Very high26 Ų2635.2 Ų35.218%0.18219%0.19CC..  trans-142.2119.9176.6170.10000111.2K102 I103 N104S100-K102 PolarHBondContact O-N 3.37Å; S100-I103 PolarHBondContact O-N 2.73Å; S100-I103 VanDerWaalsContact O-N 3.15Å; S100-I103 PolarHBondContact OG-N 2.98Å; S100-N104 PolarHBondContact O-N 2.91Å; S100-N104 PolarHBondContact O-ND2 3.16Å; S100-N104 PolarHBondContact O-OD1 3.28Å
101T92.1Very high94.5Very high88 Ų8843.5 Ų43.554%0.5423%0.226SC..Hα-helixtrans-59.9-35.717854.20000112.3Y99 S105Y99-T101 HydrophobicContact CE1-CG2 3.96Å; T101-S105 WeakPolarHBondContact O-CB 3.5Å; T101-S105 PolarHBondContact O-N 3.26Å; T101-S105 PolarHBondContact O-OG 3.18Å
102K94.1Very high94.5Very high148 Ų14845.6 Ų45.664%0.64324%0.235SC*.Hα-helixtrans-64.8-43176.6-66.5-179.3-178.2177.20111.7V71 S100 I106V71-K102 HydrophobicContact CG2-CB 4.46Å; S100-K102 PolarHBondContact O-N 3.37Å; K102-I106 WeakPolarHBondContact O-CG1 3.3Å; K102-I106 PolarHBondContact O-N 3.13Å
103I93.9Very high94.4Very high0 Ų046.3 Ų46.30%024%0.24CC..Hα-helixtrans-67.3-47.4178-70.7-179.3000110.4V67 H68 V71 L74 H96 S100 S105 I106 V107V67-I103 HydrophobicContact CG1-CD1 4.09Å; V67-I103 HydrophobicContact CG1-CG2 3.78Å; H68-I103 WeakPolarHBondContact O-CD1 3.39Å; V71-I103 HydrophobicContact CG2-CD1 4.28Å; V71-I103 HydrophobicContact CG2-CG1 3.85Å; L74-I103 HydrophobicContact CD2-CB 4.33Å; L74-I103 HydrophobicContact CD2-CG1 4.28Å; L74-I103 HydrophobicContact CD2-CG2 3.65Å; H96-I103 VanDerWaalsContact CE1-CG2 3.46Å; H96-I103 WeakPolarHBondContact CE1-CG2 3.41Å; H96-I103 WeakPolarHBondContact ND1-CG2 3.41Å; S100-I103 PolarHBondContact O-N 2.73Å; S100-I103 VanDerWaalsContact O-N 3.15Å; S100-I103 PolarHBondContact OG-N 2.98Å; I103-S105 VanDerWaalsContact C-N 3.27Å; I103-S105 PolarHBondContact O-N 3.17Å; I103-I106 WeakPolarHBondContact O-CB 3.35Å; I103-I106 PolarHBondContact O-N 3.05Å; I103-I106 VanDerWaalsContact O-N 3.08Å; I103-V107 PolarHBondContact O-N 2.95Å
104N93.1Very high94.2Very high17 Ų1749 Ų499%0.09125%0.25CC..Hα-helixtrans-58.7-42.4179.3-62.1-8.2000111Y99 S100 I106 V107 E108Y99-N104 WeakPolarHBondContact CE2-ND2 3.41Å; S100-N104 PolarHBondContact O-N 2.91Å; S100-N104 PolarHBondContact O-ND2 3.16Å; S100-N104 PolarHBondContact O-OD1 3.28Å; N104-I106 VanDerWaalsContact C-N 3.28Å; N104-I106 PolarHBondContact O-N 3.41Å; N104-V107 PolarHBondContact O-N 2.82Å; N104-V107 VanDerWaalsContact O-N 3.14Å; N104-E108 WeakPolarHBondContact O-CB 3.23Å; N104-E108 VanDerWaalsContact O-CG 3.27Å; N104-E108 WeakPolarHBondContact O-CG 3.45Å; N104-E108 PolarHBondContact O-N 2.95Å
105S94.9Very high94Very high70 Ų7051.1 Ų51.149%0.4926%0.263SS..Hα-helixtrans-60.2-36.5177.6-580000112.6T101 I103 A109T101-S105 WeakPolarHBondContact O-CB 3.5Å; T101-S105 PolarHBondContact O-N 3.26Å; T101-S105 PolarHBondContact O-OG 3.18Å; I103-S105 VanDerWaalsContact C-N 3.27Å; I103-S105 PolarHBondContact O-N 3.17Å; S105-A109 VanDerWaalsContact O-CB 3.3Å; S105-A109 WeakPolarHBondContact O-CB 3.41Å; S105-A109 PolarHBondContact O-N 3.02Å; S105-A109 VanDerWaalsContact O-N 3.17Å
106I95.6Very high93.8Very high28 Ų2851.5 Ų51.514%0.14427%0.265CS..Hα-helixtrans-65.3-45.9176.3-67.7160.2000110.1V71 K75 V78 K102 I103 N104 A109V71-I106 HydrophobicContact CG1-CD1 3.75Å; K75-I106 HydrophobicContact CD-CD1 4.34Å; K75-I106 HydrophobicContact CG-CD1 3.56Å; K75-I106 HydrophobicContact CG-CG1 4.22Å; V78-I106 HydrophobicContact CB-CG2 4.42Å; V78-I106 HydrophobicContact CG1-CG2 4.49Å; V78-I106 HydrophobicContact CG2-CG2 4.04Å; K102-I106 WeakPolarHBondContact O-CG1 3.3Å; K102-I106 PolarHBondContact O-N 3.13Å; I103-I106 WeakPolarHBondContact O-CB 3.35Å; I103-I106 PolarHBondContact O-N 3.05Å; I103-I106 VanDerWaalsContact O-N 3.08Å; N104-I106 VanDerWaalsContact C-N 3.28Å; N104-I106 PolarHBondContact O-N 3.41Å; I106-A109 PolarHBondContact O-N 2.85Å
107V94.4Very high93.7Very high0 Ų052 Ų520%027%0.268CS..Hα-helixtrans-70-41.1-178.2-176.90000111.5F94 I103 N104 A109 I110 Q117F94-V107 HydrophobicContact CB-CG1 4.38Å; F94-V107 HydrophobicContact CB-CG2 4.32Å; F94-V107 HydrophobicContact CD1-CG2 3.97Å; F94-V107 HydrophobicContact CD2-CB 4.5Å; F94-V107 HydrophobicContact CD2-CG1 3.46Å; F94-V107 VanDerWaalsContact CD2-CG1 3.46Å; F94-V107 HydrophobicContact CD2-CG2 4.19Å; F94-V107 HydrophobicContact CE1-CG2 4.33Å; F94-V107 HydrophobicContact CE2-CG1 3.84Å; F94-V107 HydrophobicContact CG-CG1 3.94Å; F94-V107 HydrophobicContact CG-CG2 3.89Å; I103-V107 PolarHBondContact O-N 2.95Å; N104-V107 PolarHBondContact O-N 2.82Å; N104-V107 VanDerWaalsContact O-N 3.14Å; V107-A109 PolarHBondContact O-N 2.84Å; V107-I110 HydrophobicContact CG1-CD1 4.38Å; V107-I110 WeakPolarHBondContact O-CB 3.46Å; V107-I110 WeakPolarHBondContact O-CG1 3.37Å; V107-I110 PolarHBondContact O-N 2.83Å; V107-I110 VanDerWaalsContact O-N 3.12Å; V107-Q117 HydrophobicContact CB-CG 4.28Å; V107-Q117 HydrophobicContact CG1-CG 3.56Å
108E93.2Very high93.6Very high112 Ų11252.6 Ų52.652%0.52327%0.271SS..Hα-helixtrans-64.6-27.4177.7-72.3168.7-169.900113.1N104 I110 K111N104-E108 WeakPolarHBondContact O-CB 3.23Å; N104-E108 VanDerWaalsContact O-CG 3.27Å; N104-E108 WeakPolarHBondContact O-CG 3.45Å; N104-E108 PolarHBondContact O-N 2.95Å; E108-I110 VanDerWaalsContact C-N 3.29Å; E108-I110 PolarHBondContact O-N 2.89Å; E108-K111 PolarHBondContact O-NZ 3.03Å
109A95.9Very high93.6Very high68 Ų6852 Ų5256%0.56227%0.267SS*.THydrogen-bonded Turntrans-74.6-13.8175.700000113.6S105 I106 V107 K111S105-A109 VanDerWaalsContact O-CB 3.3Å; S105-A109 WeakPolarHBondContact O-CB 3.41Å; S105-A109 PolarHBondContact O-N 3.02Å; S105-A109 VanDerWaalsContact O-N 3.17Å; I106-A109 PolarHBondContact O-N 2.85Å; V107-A109 PolarHBondContact O-N 2.84Å; A109-K111 PolarHBondContact O-N 2.89Å
110I95.7Very high93.7Very high11 Ų1146 Ų466%0.05624%0.243CC..  trans-66.1121.5179.2-64.2172.2000110V78 F94 V107 E108 F112 T115V78-I110 HydrophobicContact CG1-CD1 3.91Å; V78-I110 HydrophobicContact CG1-CG1 3.84Å; V78-I110 HydrophobicContact CG2-CD1 4.06Å; F94-I110 HydrophobicContact CE2-CD1 3.62Å; F94-I110 HydrophobicContact CZ-CD1 3.53Å; V107-I110 HydrophobicContact CG1-CD1 4.38Å; V107-I110 WeakPolarHBondContact O-CB 3.46Å; V107-I110 WeakPolarHBondContact O-CG1 3.37Å; V107-I110 PolarHBondContact O-N 2.83Å; V107-I110 VanDerWaalsContact O-N 3.12Å; E108-I110 VanDerWaalsContact C-N 3.29Å; E108-I110 PolarHBondContact O-N 2.89Å; I110-F112 HydrophobicContact CB-CE1 4.38Å; I110-F112 HydrophobicContact CD1-CZ 4.49Å; I110-F112 HydrophobicContact CG1-CE1 4.2Å; I110-F112 HydrophobicContact CG1-CZ 4.3Å; I110-F112 HydrophobicContact CG2-CD1 4.01Å; I110-F112 HydrophobicContact CG2-CD2 4.21Å; I110-F112 HydrophobicContact CG2-CE1 3.72Å; I110-F112 HydrophobicContact CG2-CE2 3.94Å; I110-F112 HydrophobicContact CG2-CG 4.25Å; I110-F112 HydrophobicContact CG2-CZ 3.68Å; I110-T115 HydrophobicContact CB-CG2 3.91Å; I110-T115 HydrophobicContact CD1-CG2 4.09Å; I110-T115 HydrophobicContact CG2-CG2 3.64Å
111K94.7Very high93.6Very high174 Ų17446 Ų4676%0.75724%0.242SC*.  trans-120.1-11.4176-55.4-57.1171.2-149.70114.1E108 A109 C113E108-K111 PolarHBondContact O-NZ 3.03Å; A109-K111 PolarHBondContact O-N 2.89Å; K111-C113 VanDerWaalsContact C-N 3.33Å; K111-C113 PolarHBondContact O-N 3.04Å
112F95.9Very high93.6Very high44 Ų4441.9 Ų41.919%0.19322%0.217CC..SBendtrans-78.7-13.1-175.757-103.6000114.2V78 L81 E82 I87 G88 L92 I110V78-F112 HydrophobicContact CG1-CE1 4.15Å; V78-F112 HydrophobicContact CG1-CZ 4.18Å; L81-F112 HydrophobicContact CB-CE2 4.31Å; L81-F112 HydrophobicContact CB-CZ 4.32Å; E82-F112 HydrophobicContact CB-CD1 3.69Å; E82-F112 HydrophobicContact CB-CE1 3.56Å; E82-F112 HydrophobicContact CB-CE2 4.48Å; E82-F112 HydrophobicContact CB-CG 4.22Å; E82-F112 HydrophobicContact CB-CZ 3.99Å; E82-F112 HydrophobicContact CG-CB 4.42Å; E82-F112 HydrophobicContact CG-CD1 3.54Å; E82-F112 HydrophobicContact CG-CE1 3.94Å; E82-F112 HydrophobicContact CG-CG 4.05Å; I87-F112 HydrophobicContact CG1-CD2 4.07Å; I87-F112 HydrophobicContact CG1-CE2 4.07Å; I87-F112 HydrophobicContact CG2-CD2 3.8Å; G88-F112 WeakPolarHBondContact CA-O 3.4Å; L92-F112 HydrophobicContact CD1-CE2 4.15Å; I110-F112 HydrophobicContact CB-CE1 4.38Å; I110-F112 HydrophobicContact CD1-CZ 4.49Å; I110-F112 HydrophobicContact CG1-CE1 4.2Å; I110-F112 HydrophobicContact CG1-CZ 4.3Å; I110-F112 HydrophobicContact CG2-CD1 4.01Å; I110-F112 HydrophobicContact CG2-CD2 4.21Å; I110-F112 HydrophobicContact CG2-CE1 3.72Å; I110-F112 HydrophobicContact CG2-CE2 3.94Å; I110-F112 HydrophobicContact CG2-CG 4.25Å; I110-F112 HydrophobicContact CG2-CZ 3.68Å
113C94.1Very high93.5Very high16 Ų1635.2 Ų35.211%0.10819%0.188CC..SBendtrans-158.4175.417567.20000111I87 L92 K111I87-C113 HydrophobicContact CG1-CB 4.32Å; I87-C113 VanDerWaalsContact O-CB 3.31Å; I87-C113 WeakPolarHBondContact O-CB 3.39Å; L92-C113 WeakPolarHBondContact CD1-SG 3.33Å; L92-C113 WeakPolarHBondContact CG-SG 3.32Å; K111-C113 VanDerWaalsContact C-N 3.33Å; K111-C113 PolarHBondContact O-N 3.04Å
114R91.7Very high93.5Very high55 Ų5536.3 Ų36.321%0.20819%0.193CC..EExtended strand (participates in β ladder)trans-77.8142.3176.6-65.8167.8-69.4179.1-6.4110.8S57 D89 L91 L92S57-R114 PolarHBondContact O-NH1 2.99Å; S57-R114 PolarHBondContact OG-NH1 2.97Å; D89-R114 PolarHBondContact O-NH2 3.5Å; L91-R114 HydrophobicContact CD1-CB 3.93Å; L92-R114 PolarHBondContact N-O 2.75Å
115T93.3Very high93.3Very high46 Ų4640.1 Ų40.128%0.28221%0.211SC..EExtended strand (participates in β ladder)trans-131.2144.5-178.860.40000112L92 F94 I110L92-T115 HydrophobicContact CB-CG2 4.31Å; L92-T115 CarbonylContact O-C 3.46Å; L92-T115 VanDerWaalsContact O-CA 3.23Å; L92-T115 WeakPolarHBondContact O-CA 3.33Å; F94-T115 HydrophobicContact CE2-CG2 4.06Å; I110-T115 HydrophobicContact CB-CG2 3.91Å; I110-T115 HydrophobicContact CD1-CG2 4.09Å; I110-T115 HydrophobicContact CG2-CG2 3.64Å
116V91.9Very high93.1Very high7 Ų739.7 Ų39.74%0.04220%0.203CC..EExtended strand (participates in β ladder)trans-126.4136.8167.4168.40000107.9P52 L91 L92 V93 F94 L118 I178P52-V116 HydrophobicContact CG-CG2 3.8Å; L91-V116 HydrophobicContact CD1-CG2 3.97Å; L92-V116 PolarHBondContact O-N 3.38Å; V93-V116 CarbonylContact C-O 3.45Å; V93-V116 WeakPolarHBondContact CA-O 3.33Å; V93-V116 HydrophobicContact CG2-CB 4.48Å; F94-V116 PolarHBondContact N-O 2.81Å; V116-L118 HydrophobicContact CG1-CD2 4.24Å; V116-L118 HydrophobicContact CG1-CG 4.47Å; V116-I178 HydrophobicContact CG1-CD1 4.32Å
117Q92.3Very high92.7Very high13 Ų1339.5 Ų39.56%0.06120%0.201CC..EExtended strand (participates in β ladder)trans-108.1127.3174-69.5-173.992.400109.5F94 H96 V107F94-Q117 HydrophobicContact CB-CG 4.42Å; F94-Q117 CarbonylContact O-C 3.54Å; F94-Q117 WeakPolarHBondContact O-CA 3.47Å; H96-Q117 PolarHBondContact NE2-OE1 2.83Å; V107-Q117 HydrophobicContact CB-CG 4.28Å; V107-Q117 HydrophobicContact CG1-CG 3.56Å
118L92.7Very high92.3Very high22 Ų2248.7 Ų48.712%0.11524%0.241CC..EExtended strand (participates in β ladder)trans-112.3122172.7-62-179.5000108V93 F94 S95 H96 V116 W169 Q173 I178V93-L118 HydrophobicContact CG1-CD1 3.59Å; V93-L118 HydrophobicContact CG1-CG 3.88Å; F94-L118 PolarHBondContact O-N 2.85Å; S95-L118 CarbonylContact C-O 3.59Å; S95-L118 VanDerWaalsContact CA-O 3.27Å; S95-L118 WeakPolarHBondContact CA-O 3.34Å; H96-L118 PolarHBondContact CD2-O 2.93Å; H96-L118 PolarHBondContact N-O 3.28Å; V116-L118 HydrophobicContact CG1-CD2 4.24Å; V116-L118 HydrophobicContact CG1-CG 4.47Å; L118-W169 HydrophobicContact CB-CH2 3.89Å; L118-W169 HydrophobicContact CB-CZ3 4.06Å; L118-Q173 HydrophobicContact CD1-CB 3.69Å; L118-Q173 HydrophobicContact CD1-CG 4.36Å; L118-I178 HydrophobicContact CD1-CD1 4.18Å; L118-I178 HydrophobicContact CD2-CD1 4.47Å
119L92.7Very high92Very high20 Ų2047.9 Ų47.911%0.10524%0.24CC..EExtended strand (participates in β ladder)trans-103.9115174.8-173.563.5000108.8A47 H96 Y99 R123 W169A47-L119 WeakPolarHBondContact O-CD2 3.32Å; H96-L119 HydrophobicContact CB-CD1 3.73Å; Y99-L119 HydrophobicContact CD2-CD2 4.03Å; L119-R123 VanDerWaalsContact CD2-CZ 3.48Å; L119-R123 VanDerWaalsContact CG-NH1 3.32Å; L119-W169 WeakPolarHBondContact O-CH2 3.23Å
120Y93.2Very high91.6Very high2 Ų245 Ų451%0.00822%0.215CC..  trans-53.9125.8178.1176.1-123.4000109H96 L122 R123 Q162 H165 H166 W169 Y373H96-Y120 VanDerWaalsContact O-CB 3.25Å; H96-Y120 WeakPolarHBondContact O-CB 3.48Å; H96-Y120 PolarHBondContact O-N 3.18Å; Y120-L122 VanDerWaalsContact CE1-C 3.42Å; Y120-L122 HydrophobicContact CE1-CB 3.96Å; Y120-L122 VanDerWaalsContact CE1-O 3.24Å; Y120-L122 WeakPolarHBondContact CE1-O 3.33Å; Y120-L122 HydrophobicContact CE2-CB 4.41Å; Y120-L122 WeakPolarHBondContact OH-CB 3.37Å; Y120-R123 HydrophobicContact CD1-CG 4.2Å; Y120-R123 VanDerWaalsContact O-CD 3.29Å; Y120-R123 WeakPolarHBondContact O-CD 3.49Å; Y120-R123 WeakPolarHBondContact O-CG 3.4Å; Y120-R123 PolarHBondContact O-NH1 2.94Å; Y120-Q162 HydrophobicContact CD1-CG 4.3Å; Y120-Q162 HydrophobicContact CE1-CG 3.98Å; Y120-H165 HydrophobicContact CE2-CB 4.41Å; Y120-H165 WeakPolarHBondContact OH-CB 3.4Å; Y120-H166 HydrophobicContact CG-CB 4.45Å; Y120-W169 HydrophobicContact CD2-CB 4.1Å; Y120-W169 AromaticContact CD2-CD2 3.77Å; Y120-W169 HydrophobicContact CD2-CD2 3.77Å; Y120-W169 AromaticContact CD2-CE3 3.76Å; Y120-W169 HydrophobicContact CD2-CE3 3.76Å; Y120-W169 AromaticContact CD2-CG 3.92Å; Y120-W169 HydrophobicContact CD2-CG 3.92Å; Y120-W169 HydrophobicContact CD2-CZ3 4.44Å; Y120-W169 HydrophobicContact CE2-CB 4.03Å; Y120-W169 HydrophobicContact CE2-CD2 4.45Å; Y120-W169 HydrophobicContact CE2-CG 4.12Å; Y120-W169 HydrophobicContact CG-CE3 4.47Å; Y120-Y373 PolarHBondContact OH-OH 2.79Å
121P90.9Very high91.4Very high25 Ų2544.6 Ų44.616%0.16221%0.213CC..THydrogen-bonded Turntrans-75-31.4-168.525.1-35.1000113.6L39 R123 W169L39-P121 HydrophobicContact CD1-CB 3.83Å; L39-P121 HydrophobicContact CD1-CG 4.5Å; L39-P121 HydrophobicContact CD2-CB 3.58Å; L39-P121 WeakPolarHBondContact CD2-O 3.11Å; L39-P121 HydrophobicContact CG-CB 4.36Å; P121-R123 PolarHBondContact O-N 2.84Å; P121-W169 VanDerWaalsContact CD-CZ2 3.43Å; P121-W169 HydrophobicContact CG-CZ2 4.33Å
122L91.9Very high91.1Very high1 Ų138.1 Ų38.11%0.00519%0.186CC..THydrogen-bonded Turntrans-99.145.3-172.3-73.4174.7000113.1A35 L36 L39 Y120 F127 P131 L369 Y373A35-L122 HydrophobicContact CB-CD2 4.12Å; L36-L122 HydrophobicContact CD2-CD1 4.19Å; L39-L122 HydrophobicContact CD1-CD1 4.47Å; L39-L122 HydrophobicContact CD1-CD2 3.35Å; L39-L122 HydrophobicContact CD1-CG 3.64Å; L39-L122 HydrophobicContact CG-CD2 4.22Å; Y120-L122 VanDerWaalsContact CE1-C 3.42Å; Y120-L122 HydrophobicContact CE1-CB 3.96Å; Y120-L122 VanDerWaalsContact CE1-O 3.24Å; Y120-L122 WeakPolarHBondContact CE1-O 3.33Å; Y120-L122 HydrophobicContact CE2-CB 4.41Å; Y120-L122 WeakPolarHBondContact OH-CB 3.37Å; L122-F127 HydrophobicContact CB-CE2 4.44Å; L122-F127 HydrophobicContact CD2-CE1 4.15Å; L122-F127 HydrophobicContact CD2-CE2 3.74Å; L122-F127 HydrophobicContact CD2-CZ 3.38Å; L122-P131 HydrophobicContact CB-CG 4.32Å; L122-P131 WeakPolarHBondContact O-CG 3.18Å; L122-L369 HydrophobicContact CD1-CD1 3.36Å; L122-L369 HydrophobicContact CD1-CD2 3.6Å; L122-L369 HydrophobicContact CD1-CG 4.06Å; L122-Y373 HydrophobicContact CD1-CE1 4.23Å
123R92.4Very high90Very high9 Ų936.5 Ų36.53%0.03418%0.183CC..  trans-66.1139.4-176.7-45.5176.5-74.6-78.89111.4D97 L119 Y120 P121 E125 L126 F127D97-R123 WeakPolarHBondContact O-CB 3.23Å; D97-R123 WeakPolarHBondContact O-CG 3.42Å; L119-R123 VanDerWaalsContact CD2-CZ 3.48Å; L119-R123 VanDerWaalsContact CG-NH1 3.32Å; Y120-R123 HydrophobicContact CD1-CG 4.2Å; Y120-R123 VanDerWaalsContact O-CD 3.29Å; Y120-R123 WeakPolarHBondContact O-CD 3.49Å; Y120-R123 WeakPolarHBondContact O-CG 3.4Å; Y120-R123 PolarHBondContact O-NH1 2.94Å; P121-R123 PolarHBondContact O-N 2.84Å; R123-E125 VanDerWaalsContact C-N 3.25Å; R123-E125 WeakPolarHBondContact CB-OE1 3.49Å; R123-E125 WeakPolarHBondContact CB-OE2 3.38Å; R123-E125 VanDerWaalsContact CD-OE1 3.3Å; R123-E125 WeakPolarHBondContact CD-OE1 3.46Å; R123-E125 IonicContact NE-OE1 3.4Å; R123-E125 PolarHBondContact NE-OE1 2.67Å; R123-E125 PolarHBondContact O-N 2.92Å; R123-E125 VanDerWaalsContact O-N 3.17Å; R123-L126 HydrophobicContact CB-CD1 4.44Å; R123-L126 WeakPolarHBondContact O-CB 3.21Å; R123-L126 PolarHBondContact O-N 2.76Å; R123-L126 VanDerWaalsContact O-N 3.13Å; R123-F127 VanDerWaalsContact O-CD2 3.25Å; R123-F127 WeakPolarHBondContact O-CD2 3.49Å
124L92.7Very high88.7Confident22 Ų2237.8 Ų37.812%0.11519%0.188CC..G310 helixtrans-58.3-33.9-172.1-59.6-174.2000113.9L126 F127 P131 N132 A158 Q162L124-L126 PolarHBondContact O-N 2.75Å; L124-L126 VanDerWaalsContact O-N 3.14Å; L124-F127 PolarHBondContact O-N 2.79Å; L124-F127 VanDerWaalsContact O-N 3.17Å; L124-F127 VanDerWaalsContact O-O 3.14Å; L124-P131 HydrophobicContact CD2-CB 4.29Å; L124-P131 HydrophobicContact CD2-CG 4.17Å; L124-N132 HydrophobicContact CB-CB 3.93Å; L124-N132 HydrophobicContact CD2-CB 3.96Å; L124-N132 HydrophobicContact CG-CB 4.44Å; L124-N132 WeakPolarHBondContact O-CB 3.15Å; L124-N132 PolarHBondContact O-ND2 3.15Å; L124-A158 HydrophobicContact CD1-CB 4.22Å; L124-A158 HydrophobicContact CD2-CB 4.29Å; L124-Q162 HydrophobicContact CD1-CB 4.29Å; L124-Q162 HydrophobicContact CD2-CB 4.29Å; L124-Q162 HydrophobicContact CG-CB 4.26Å; L124-Q162 VanDerWaalsContact N-OE1 3.1Å
125E89.5Confident87Confident98 Ų9836.4 Ų36.446%0.45819%0.185SC..G310 helixtrans-62.8-20.5-178.668.5-86.1-162.900113.9Y99 R123Y99-E125 PolarHBondContact N-OE1 3.5Å; R123-E125 VanDerWaalsContact C-N 3.25Å; R123-E125 WeakPolarHBondContact CB-OE1 3.49Å; R123-E125 WeakPolarHBondContact CB-OE2 3.38Å; R123-E125 VanDerWaalsContact CD-OE1 3.3Å; R123-E125 WeakPolarHBondContact CD-OE1 3.46Å; R123-E125 IonicContact NE-OE1 3.4Å; R123-E125 PolarHBondContact NE-OE1 2.67Å; R123-E125 PolarHBondContact O-N 2.92Å; R123-E125 VanDerWaalsContact O-N 3.17Å
126L89.5Confident84.7Confident61 Ų6137.6 Ų37.632%0.31921%0.206SC..G310 helixtrans-84.5-15-179.1-59.5177.3000113.3L45 R123 L124L45-L126 HydrophobicContact CD2-CD1 3.78Å; L45-L126 HydrophobicContact CD2-CD2 3.57Å; L45-L126 HydrophobicContact CD2-CG 4.23Å; R123-L126 HydrophobicContact CB-CD1 4.44Å; R123-L126 WeakPolarHBondContact O-CB 3.21Å; R123-L126 PolarHBondContact O-N 2.76Å; R123-L126 VanDerWaalsContact O-N 3.13Å; L124-L126 PolarHBondContact O-N 2.75Å; L124-L126 VanDerWaalsContact O-N 3.14Å
127F89.1Confident82.3Confident23 Ų2340.1 Ų40.110%0.10122%0.224CC..  trans-123.6130-169.9-59.3-88.3000111.1A35 A38 L122 R123 L124 P131 N132A35-F127 HydrophobicContact CB-CD1 4.36Å; A35-F127 HydrophobicContact CB-CE1 3.95Å; A38-F127 HydrophobicContact CB-CE1 4.41Å; L122-F127 HydrophobicContact CB-CE2 4.44Å; L122-F127 HydrophobicContact CD2-CE1 4.15Å; L122-F127 HydrophobicContact CD2-CE2 3.74Å; L122-F127 HydrophobicContact CD2-CZ 3.38Å; R123-F127 VanDerWaalsContact O-CD2 3.25Å; R123-F127 WeakPolarHBondContact O-CD2 3.49Å; L124-F127 PolarHBondContact O-N 2.79Å; L124-F127 VanDerWaalsContact O-N 3.17Å; L124-F127 VanDerWaalsContact O-O 3.14Å; F127-P131 HydrophobicContact CD2-CG 4.07Å; F127-P131 VanDerWaalsContact CG-CD 3.48Å; F127-P131 HydrophobicContact CG-CG 4.42Å; F127-N132 HydrophobicContact CB-CB 4.36Å; F127-N132 VanDerWaalsContact O-CB 3.23Å; F127-N132 WeakPolarHBondContact O-CB 3.5Å; F127-N132 PolarHBondContact O-ND2 3.4Å
128K85.9Confident80Confident194 Ų19443 Ų4384%0.84325%0.245SC*.SBendtrans-82.5-34.7167.7-66.7-174.9-179.7-179.80111.8G133K128-G133 WeakPolarHBondContact O-CA 3.19Å; K128-G133 PolarHBondContact O-N 3.11Å
129N86.2Confident77.3Confident95 Ų9546.3 Ų46.351%0.50827%0.27SS..SBendtrans-99.7-150.4177-56.5-22000109N132 G133 N134N129-N132 CarbonylContact O-C 3.58Å; N129-N132 PolarHBondContact O-N 3.29Å; N129-G133 CarbonylContact C-O 3.11Å; N129-G133 PolarHBondContact O-N 3.04Å; N129-N134 PolarHBondContact OD1-O 2.85Å; N129-N134 VanDerWaalsContact OD1-O 3.08Å
130F87.9Confident74.5Confident7 Ų753.1 Ų53.13%0.03130%0.301CS..THydrogen-bonded Turntrans-52.6133.8174.5-178.7-96.6000111.6D31 V32 A35 G133 R365 L369D31-F130 HydrophobicContact CB-CB 4.45Å; V32-F130 HydrophobicContact CB-CE1 4.37Å; V32-F130 HydrophobicContact CG2-CD1 4.35Å; V32-F130 HydrophobicContact CG2-CE1 3.74Å; V32-F130 HydrophobicContact CG2-CZ 4.1Å; A35-F130 HydrophobicContact CB-CD1 4.16Å; F130-G133 PolarHBondContact N-O 3.31Å; F130-R365 HydrophobicContact CD2-CB 3.72Å; F130-R365 HydrophobicContact CD2-CG 4.48Å; F130-R365 HydrophobicContact CE1-CB 4.37Å; F130-R365 HydrophobicContact CE2-CB 3.36Å; F130-R365 HydrophobicContact CG-CB 4.38Å; F130-R365 HydrophobicContact CZ-CB 3.73Å; F130-L369 HydrophobicContact CE1-CB 4.41Å; F130-L369 HydrophobicContact CE1-CD2 3.8Å; F130-L369 HydrophobicContact CZ-CB 4.06Å; F130-L369 HydrophobicContact CZ-CD2 3.62Å; F130-L369 HydrophobicContact CZ-CG 4.47Å
131P91.7Very high71.9Confident3 Ų355.8 Ų55.82%0.01932%0.324CS..THydrogen-bonded Turncis-84.6-6.26.633.3-37.6000117.5L122 L124 F127 R153 A158L122-P131 HydrophobicContact CB-CG 4.32Å; L122-P131 WeakPolarHBondContact O-CG 3.18Å; L124-P131 HydrophobicContact CD2-CB 4.29Å; L124-P131 HydrophobicContact CD2-CG 4.17Å; F127-P131 HydrophobicContact CD2-CG 4.07Å; F127-P131 VanDerWaalsContact CG-CD 3.48Å; F127-P131 HydrophobicContact CG-CG 4.42Å; P131-R153 PolarHBondContact O-NE 3.47Å; P131-R153 PolarHBondContact O-NH2 3.44Å; P131-A158 WeakPolarHBondContact O-CB 3.2Å
132N88Confident69.7Low37 Ų3760.9 Ų60.920%0.19835%0.348CS..THydrogen-bonded Turntrans-88.2-64-173.5-176.214.6000114.3L124 F127 N129 A158L124-N132 HydrophobicContact CB-CB 3.93Å; L124-N132 HydrophobicContact CD2-CB 3.96Å; L124-N132 HydrophobicContact CG-CB 4.44Å; L124-N132 WeakPolarHBondContact O-CB 3.15Å; L124-N132 PolarHBondContact O-ND2 3.15Å; F127-N132 HydrophobicContact CB-CB 4.36Å; F127-N132 VanDerWaalsContact O-CB 3.23Å; F127-N132 WeakPolarHBondContact O-CB 3.5Å; F127-N132 PolarHBondContact O-ND2 3.4Å; N129-N132 CarbonylContact O-C 3.58Å; N129-N132 PolarHBondContact O-N 3.29Å; N132-A158 WeakPolarHBondContact O-CB 3.4Å
133G73.7Confident67.5Low11 Ų1168 Ų6811%0.11339%0.386CS..SBendtrans-107.7-171.5-17600000113.2K128 N129 F130K128-G133 WeakPolarHBondContact O-CA 3.19Å; K128-G133 PolarHBondContact O-N 3.11Å; N129-G133 CarbonylContact C-O 3.11Å; N129-G133 PolarHBondContact O-N 3.04Å; F130-G133 PolarHBondContact N-O 3.31Å
134N66.4Low65Low42 Ų4273.4 Ų73.423%0.22542%0.416CS..  trans-84.1145.7-177.7-62.1-69000111.5N129 G136 L152 R153N129-N134 PolarHBondContact OD1-O 2.85Å; N129-N134 VanDerWaalsContact OD1-O 3.08Å; N134-G136 PolarHBondContact O-N 2.75Å; N134-L152 HydrophobicContact CB-CD1 4.11Å; N134-L152 WeakPolarHBondContact ND2-CD1 3.45Å; N134-L152 VanDerWaalsContact ND2-CG 3.26Å; N134-L152 WeakPolarHBondContact ND2-CG 3.17Å; N134-R153 PolarHBondContact ND2-O 3.45Å; N134-R153 WeakPolarHBondContact OD1-CA 3.29Å; N134-R153 WeakPolarHBondContact OD1-CB 3.34Å; N134-R153 PolarHBondContact OD1-N 2.99Å; N134-R153 PolarHBondContact OD1-O 2.04Å
135D55.9Low62.6Low27 Ų2780 Ų8014%0.14445%0.452CS..  trans-70103.414259.8-35.8000107R27 S137 R365R27-D135 IonicContact CZ-OD2 3.93Å; R27-D135 VanDerWaalsContact CZ-OD2 3.31Å; R27-D135 IonicContact NE-OD2 3.16Å; R27-D135 PolarHBondContact NE-OD2 3.2Å; R27-D135 VanDerWaalsContact NE-OD2 3.1Å; R27-D135 IonicContact NH2-OD2 3.14Å; R27-D135 PolarHBondContact NH2-OD2 3.46Å; D135-S137 PolarHBondContact O-N 2.97Å; D135-R365 IonicContact OD1-CZ 3.79Å; D135-R365 IonicContact OD1-NH1 2.71Å; D135-R365 PolarHBondContact OD1-NH1 3.34Å; D135-R365 IonicContact OD2-NH1 3.05Å
136G44.8Very low60.4Low70 Ų7079.7 Ų79.772%0.72246%0.46SS*.THydrogen-bonded Turntrans-60.110.617700000115.2N134N134-G136 PolarHBondContact O-N 2.75Å
137S41Very low58.2Low61 Ų6179.5 Ų79.543%0.42746%0.463SS..THydrogen-bonded Turntrans-104.124.4-169.939.20000114R27 D135 S139R27-S137 VanDerWaalsContact CZ-O 3.23Å; R27-S137 PolarHBondContact NH1-O 3.34Å; R27-S137 PolarHBondContact NH2-O 3.45Å; R27-S137 PolarHBondContact NH2-OG 2.92Å; D135-S137 PolarHBondContact O-N 2.97Å; S137-S139 PolarHBondContact O-N 2.9Å
138C44.2Very low55.9Low74 Ų7489 Ų8950%0.550%0.498SS..THydrogen-bonded Turntrans-76.128.6164.8-1430000112.3
139S36.5Very low53.7Low91 Ų9189.7 Ų89.764%0.63650%0.501SS*.THydrogen-bonded Turntrans-111.27.5-171.3460000115.4S137S137-S139 PolarHBondContact O-N 2.9Å
140Q34.3Very low52Low163 Ų16387.4 Ų87.476%0.76250%0.501SS*.  trans-137.931.6176.5-67-166.9-0.700116.5I142Q140-I142 PolarHBondContact O-N 3.19Å
141A37.1Very low50.3Low58 Ų5896.2 Ų96.248%0.47954%0.542SS..  trans-77.775154.800000108.3N143 C147A141-N143 PolarHBondContact O-N 3.24Å; A141-N143 VanDerWaalsContact O-N 3.1Å; A141-C147 HydrophobicContact CB-CB 4.24Å
142I46.3Very low49Very low132 Ų132102.4 Ų102.468%0.67757%0.574SS**THydrogen-bonded Turntrans-61.8-16-175.6-75.7174.7000112.5Q140Q140-I142 PolarHBondContact O-N 3.19Å
143N45.3Very low48.5Very low149 Ų149101.2 Ų101.280%0.79757%0.567SS**THydrogen-bonded Turntrans-146.127.3-177-84.4-35.5000116.8A141A141-N143 PolarHBondContact O-N 3.24Å; A141-N143 VanDerWaalsContact O-N 3.1Å
144N39.2Very low49.1Very low123 Ų123103.1 Ų103.166%0.65858%0.578SS**  trans-143.6118.2169.9-91.1-38.6000112.3S146N144-S146 PolarHBondContact O-N 3.14Å
145N41.5Very low50Low162 Ų162105.1 Ų105.187%0.86660%0.596SS**THydrogen-bonded Turntrans-60.312.3172.3-83.4-23.8000114.5
146S43.6Very low51.6Low91 Ų91111.4 Ų111.464%0.63662%0.622SS**THydrogen-bonded Turntrans-80-28.817859.10000112.8N144 R148N144-S146 PolarHBondContact O-N 3.14Å; S146-R148 PolarHBondContact O-N 2.94Å; S146-R148 VanDerWaalsContact O-N 3.11Å
147C43.7Very low53.8Low57 Ų57110.2 Ų110.239%0.38560%0.6SS.*SBendtrans-8464.4163.2-790000109.1A141 K149A141-C147 HydrophobicContact CB-CB 4.24Å; C147-K149 VanDerWaalsContact C-N 3.35Å; C147-K149 PolarHBondContact O-N 3.45Å
148R40.3Very low56.3Low221 Ų221107.3 Ų107.383%0.83458%0.58SS**  trans-55.198.5171.6-84.2-175.1165.9175.7-3.6108.5S146 G150S146-R148 PolarHBondContact O-N 2.94Å; S146-R148 VanDerWaalsContact O-N 3.11Å; R148-G150 WeakPolarHBondContact O-CA 3.31Å; R148-G150 PolarHBondContact O-N 2.82Å
149K40.9Very low58.6Low209 Ų209106.5 Ų106.591%0.90958%0.575SS**  trans14.663.2166.6-76.1-179173.3178.20111.6C147 Q151C147-K149 VanDerWaalsContact C-N 3.35Å; C147-K149 PolarHBondContact O-N 3.45Å; K149-Q151 PolarHBondContact O-N 3.33Å; K149-Q151 VanDerWaalsContact O-N 3.1Å
150G48.9Very low61.4Low48 Ų48103.2 Ų103.250%0.49555%0.55SS.*  trans-60123.3-163.100000106.2R148 L152R148-G150 WeakPolarHBondContact O-CA 3.31Å; R148-G150 PolarHBondContact O-N 2.82Å; G150-L152 PolarHBondContact O-N 2.97Å
151Q53.7Low64.3Low192 Ų19295.5 Ų95.590%0.89751%0.514SS*.  trans-41.1111.2178.5-90.2175.8-7.500108K149 R153K149-Q151 PolarHBondContact O-N 3.33Å; K149-Q151 VanDerWaalsContact O-N 3.1Å; Q151-R153 PolarHBondContact O-N 2.87Å
152L64.2Low67.1Low133 Ų13393.4 Ų93.470%0.69650%0.495SS*.  trans-45.1119.2176.7-170.972.3000107N134 G150 S154N134-L152 HydrophobicContact CB-CD1 4.11Å; N134-L152 WeakPolarHBondContact ND2-CD1 3.45Å; N134-L152 VanDerWaalsContact ND2-CG 3.26Å; N134-L152 WeakPolarHBondContact ND2-CG 3.17Å; G150-L152 PolarHBondContact O-N 2.97Å; L152-S154 PolarHBondContact O-N 3.2Å
153R77.6Confident69.4Low12 Ų1288.5 Ų88.55%0.04547%0.469CS..  trans-63104.1177.2-175.1-176.5-175.588.6-8.6106.2P131 N134 Q151 V157 A158 D363 D366P131-R153 PolarHBondContact O-NE 3.47Å; P131-R153 PolarHBondContact O-NH2 3.44Å; N134-R153 PolarHBondContact ND2-O 3.45Å; N134-R153 WeakPolarHBondContact OD1-CA 3.29Å; N134-R153 WeakPolarHBondContact OD1-CB 3.34Å; N134-R153 PolarHBondContact OD1-N 2.99Å; N134-R153 PolarHBondContact OD1-O 2.04Å; Q151-R153 PolarHBondContact O-N 2.87Å; R153-V157 HydrophobicContact CG-CG1 4.33Å; R153-A158 HydrophobicContact CG-CB 4.48Å; R153-D363 IonicContact NH1-OD2 2.76Å; R153-D363 PolarHBondContact NH1-OD2 3.43Å; R153-D366 IonicContact CZ-OD1 3.02Å; R153-D366 IonicContact CZ-OD2 3.31Å; R153-D366 IonicContact NH1-OD1 3.92Å; R153-D366 IonicContact NH1-OD2 3.28Å; R153-D366 PolarHBondContact NH1-OD2 3.17Å; R153-D366 IonicContact NH2-OD1 3.43Å; R153-D366 PolarHBondContact NH2-OD1 2.56Å; R153-D366 VanDerWaalsContact NH2-OD1 3.1Å; R153-D366 IonicContact NH2-OD2 3.99Å; R153-D366 PolarHBondContact NH2-OD2 3.45Å
154S84.9Confident71.9Confident51 Ų5181.4 Ų81.436%0.35743%0.431SS..  trans-75.3152.2175.565.10000109.3L152 K156 V157 A158L152-S154 PolarHBondContact O-N 3.2Å; S154-K156 PolarHBondContact O-N 3.23Å; S154-K156 VanDerWaalsContact O-N 3.08Å; S154-V157 PolarHBondContact O-N 3.39Å; S154-V157 WeakPolarHBondContact OG-CG2 3.42Å; S154-V157 PolarHBondContact OG-N 3.47Å; S154-V157 VanDerWaalsContact OG-N 3.16Å; S154-A158 PolarHBondContact O-N 3.32Å
155S86.8Confident74.7Confident84 Ų8475.6 Ų75.659%0.58740%0.4SS*.Hα-helixtrans-54.8-28.6171.1-51.30000112A158 S159S155-A158 PolarHBondContact O-N 3.13Å; S155-S159 VanDerWaalsContact O-CB 3.3Å; S155-S159 WeakPolarHBondContact O-CB 3.27Å; S155-S159 PolarHBondContact O-N 2.71Å
156K89.3Confident77.3Confident159 Ų15967.9 Ų67.969%0.69136%0.359SS*.Hα-helixtrans-64.3-47.5172.4-176.2177.8179.9-179.80112.2S154 A158 S159 L160S154-K156 PolarHBondContact O-N 3.23Å; S154-K156 VanDerWaalsContact O-N 3.08Å; K156-A158 VanDerWaalsContact C-N 3.32Å; K156-S159 PolarHBondContact O-N 3.04Å; K156-L160 HydrophobicContact CG-CD1 4.47Å; K156-L160 VanDerWaalsContact O-CG 3.32Å; K156-L160 WeakPolarHBondContact O-CG 3.15Å; K156-L160 PolarHBondContact O-N 3.02Å; K156-L160 VanDerWaalsContact O-N 3.08Å
157V91Very high79.9Confident45 Ų4563.7 Ų63.727%0.27333%0.329SS..Hα-helixtrans-63.8-41.3176.8169.30000110.5R153 S154 L160 A161 A360R153-V157 HydrophobicContact CG-CG1 4.33Å; S154-V157 PolarHBondContact O-N 3.39Å; S154-V157 WeakPolarHBondContact OG-CG2 3.42Å; S154-V157 PolarHBondContact OG-N 3.47Å; S154-V157 VanDerWaalsContact OG-N 3.16Å; V157-L160 PolarHBondContact O-N 3.12Å; V157-A161 WeakPolarHBondContact O-CB 3.43Å; V157-A161 PolarHBondContact O-N 3.47Å; V157-A360 HydrophobicContact CG1-CB 4.21Å
158A93.2Very high82.4Confident0 Ų061 Ų610%031%0.311CS..Hα-helixtrans-63.3-43.8177.300000113.2L124 P131 N132 R153 S154 S155 K156 L160 A161 Q162L124-A158 HydrophobicContact CD1-CB 4.22Å; L124-A158 HydrophobicContact CD2-CB 4.29Å; P131-A158 WeakPolarHBondContact O-CB 3.2Å; N132-A158 WeakPolarHBondContact O-CB 3.4Å; R153-A158 HydrophobicContact CG-CB 4.48Å; S154-A158 PolarHBondContact O-N 3.32Å; S155-A158 PolarHBondContact O-N 3.13Å; K156-A158 VanDerWaalsContact C-N 3.32Å; A158-L160 PolarHBondContact O-N 3.31Å; A158-A161 PolarHBondContact O-N 2.74Å; A158-Q162 PolarHBondContact O-N 2.87Å
159S93.1Very high85.1Confident56 Ų5651.6 Ų51.639%0.39228%0.276SS..Hα-helixtrans-58.8-44.9174.7175.50000111.9S155 K156 Q162S155-S159 VanDerWaalsContact O-CB 3.3Å; S155-S159 WeakPolarHBondContact O-CB 3.27Å; S155-S159 PolarHBondContact O-N 2.71Å; K156-S159 PolarHBondContact O-N 3.04Å; S159-Q162 PolarHBondContact O-N 3.45Å
160L94.2Very high87.7Confident23 Ų2341.8 Ų41.812%0.1223%0.233CC..Hα-helixtrans-64.8-43.7175.8-66.1174.8000111.9K156 V157 A158 Q162 I163 Y276 V312 A360K156-L160 HydrophobicContact CG-CD1 4.47Å; K156-L160 VanDerWaalsContact O-CG 3.32Å; K156-L160 WeakPolarHBondContact O-CG 3.15Å; K156-L160 PolarHBondContact O-N 3.02Å; K156-L160 VanDerWaalsContact O-N 3.08Å; V157-L160 PolarHBondContact O-N 3.12Å; A158-L160 PolarHBondContact O-N 3.31Å; L160-Q162 VanDerWaalsContact C-N 3.34Å; L160-Q162 PolarHBondContact O-N 2.9Å; L160-I163 HydrophobicContact CD2-CD1 4.4Å; L160-I163 WeakPolarHBondContact O-CB 3.38Å; L160-I163 PolarHBondContact O-N 2.98Å; L160-Y276 HydrophobicContact CB-CD1 4.18Å; L160-Y276 HydrophobicContact CB-CD2 3.84Å; L160-Y276 HydrophobicContact CB-CE2 4.3Å; L160-Y276 HydrophobicContact CB-CG 3.79Å; L160-Y276 HydrophobicContact CD1-CD1 4.37Å; L160-Y276 HydrophobicContact CD1-CE1 4.21Å; L160-Y276 HydrophobicContact CD2-CD2 4.07Å; L160-Y276 HydrophobicContact CD2-CE1 4.26Å; L160-Y276 HydrophobicContact CD2-CE2 3.63Å; L160-Y276 HydrophobicContact CG-CD2 4.48Å; L160-Y276 HydrophobicContact CG-CE2 4.45Å; L160-Y276 WeakPolarHBondContact O-CD2 3.33Å; L160-V312 HydrophobicContact CD2-CG1 4.18Å; L160-A360 HydrophobicContact CB-CB 3.93Å; L160-A360 HydrophobicContact CD1-CB 3.95Å
161A95.3Very high90Very high0 Ų039.5 Ų39.50%021%0.209CC..Hα-helixtrans-63.6-37.7177.700000112.4V157 A158 I163 K164 H165 W361V157-A161 WeakPolarHBondContact O-CB 3.43Å; V157-A161 PolarHBondContact O-N 3.47Å; A158-A161 PolarHBondContact O-N 2.74Å; A161-I163 PolarHBondContact O-N 3.1Å; A161-K164 PolarHBondContact O-N 3.43Å; A161-K164 VanDerWaalsContact O-N 3.14Å; A161-H165 PolarHBondContact O-CD2 2.94Å; A161-H165 PolarHBondContact O-N 2.76Å; A161-H165 VanDerWaalsContact O-N 3.11Å; A161-W361 HydrophobicContact CB-CE3 3.97Å; A161-W361 HydrophobicContact CB-CZ3 4.03Å; A161-W361 VanDerWaalsContact O-CZ3 3.3Å; A161-W361 WeakPolarHBondContact O-CZ3 3.44Å
162Q96.1Very high92Very high15 Ų1530.4 Ų30.47%0.0717%0.167CC..Hα-helixtrans-56.3-38.2176.9178.8171.3-94.600111.6D97 Y120 L124 A158 S159 L160 K164 H165 H166D97-Q162 HydrophobicContact CB-CG 4.4Å; D97-Q162 PolarHBondContact OD2-NE2 3.11Å; D97-Q162 VanDerWaalsContact OD2-NE2 3.14Å; Y120-Q162 HydrophobicContact CD1-CG 4.3Å; Y120-Q162 HydrophobicContact CE1-CG 3.98Å; L124-Q162 HydrophobicContact CD1-CB 4.29Å; L124-Q162 HydrophobicContact CD2-CB 4.29Å; L124-Q162 HydrophobicContact CG-CB 4.26Å; L124-Q162 VanDerWaalsContact N-OE1 3.1Å; A158-Q162 PolarHBondContact O-N 2.87Å; S159-Q162 PolarHBondContact O-N 3.45Å; L160-Q162 VanDerWaalsContact C-N 3.34Å; L160-Q162 PolarHBondContact O-N 2.9Å; Q162-K164 VanDerWaalsContact C-N 3.28Å; Q162-K164 PolarHBondContact O-N 3.28Å; Q162-H165 PolarHBondContact O-N 3.25Å; Q162-H166 WeakPolarHBondContact O-CB 3.31Å; Q162-H166 PolarHBondContact O-N 3.28Å
163I95.5Very high93.4Very high28 Ų2825.8 Ų25.814%0.14414%0.142CC..Hα-helixtrans-54.8-45.8179.3-61.5169.5000110.7L160 A161 W167 Y276L160-I163 HydrophobicContact CD2-CD1 4.4Å; L160-I163 WeakPolarHBondContact O-CB 3.38Å; L160-I163 PolarHBondContact O-N 2.98Å; A161-I163 PolarHBondContact O-N 3.1Å; I163-W167 WeakPolarHBondContact O-CB 3.47Å; I163-W167 PolarHBondContact O-N 3.16Å; I163-W167 VanDerWaalsContact O-N 3.08Å; I163-Y276 HydrophobicContact CD1-CD2 4.49Å; I163-Y276 HydrophobicContact CD1-CE2 4.38Å
164K97.3Very high94.2Very high0 Ų025.2 Ų25.20%014%0.139CC..Hα-helixtrans-69.8-45.7178.7-163.6162.2166.4-1770112.5A161 Q162 H166 W167 W168 F270 Y273 D275 Y276 W278 T281 W361A161-K164 PolarHBondContact O-N 3.43Å; A161-K164 VanDerWaalsContact O-N 3.14Å; Q162-K164 VanDerWaalsContact C-N 3.28Å; Q162-K164 PolarHBondContact O-N 3.28Å; K164-H166 VanDerWaalsContact C-N 3.32Å; K164-H166 PolarHBondContact O-N 3.23Å; K164-W167 PolarHBondContact O-N 3.36Å; K164-W168 WeakPolarHBondContact O-CB 3.15Å; K164-W168 PolarHBondContact O-N 3.43Å; K164-F270 WeakPolarHBondContact CE-O 3.22Å; K164-F270 HydrophobicContact CG-CE1 4.14Å; K164-F270 HydrophobicContact CG-CZ 4.18Å; K164-F270 PolarHBondContact NZ-O 2.84Å; K164-Y273 PolarHBondContact NZ-O 3.22Å; K164-Y273 VanDerWaalsContact NZ-O 3.14Å; K164-D275 WeakPolarHBondContact CD-O 3.41Å; K164-D275 PolarHBondContact NZ-O 3.33Å; K164-Y276 VanDerWaalsContact CB-O 3.23Å; K164-Y276 WeakPolarHBondContact CB-O 3.49Å; K164-W278 HydrophobicContact CG-CB 4.42Å; K164-T281 PolarHBondContact NZ-OG1 2.83Å; K164-W361 HydrophobicContact CB-CE3 3.97Å; K164-W361 HydrophobicContact CB-CH2 3.78Å; K164-W361 HydrophobicContact CB-CZ2 4.47Å; K164-W361 HydrophobicContact CB-CZ3 3.54Å; K164-W361 HydrophobicContact CD-CD2 3.7Å; K164-W361 HydrophobicContact CD-CE3 3.9Å; K164-W361 HydrophobicContact CD-CG 4.26Å; K164-W361 HydrophobicContact CD-CH2 4Å; K164-W361 HydrophobicContact CD-CZ2 3.84Å; K164-W361 HydrophobicContact CD-CZ3 4.06Å; K164-W361 HydrophobicContact CG-CE3 4.38Å; K164-W361 HydrophobicContact CG-CH2 3.87Å; K164-W361 HydrophobicContact CG-CZ2 4.1Å; K164-W361 HydrophobicContact CG-CZ3 4.06Å
165H97.3Very high94.7Very high1 Ų122.8 Ų22.81%0.00512%0.123CC..Hα-helixtrans-58.8-46.9178.6-82.7-60.6000111.1Y120 A161 Q162 W168 W169 W361 D366 Y373Y120-H165 HydrophobicContact CE2-CB 4.41Å; Y120-H165 WeakPolarHBondContact OH-CB 3.4Å; A161-H165 PolarHBondContact O-CD2 2.94Å; A161-H165 PolarHBondContact O-N 2.76Å; A161-H165 VanDerWaalsContact O-N 3.11Å; Q162-H165 PolarHBondContact O-N 3.25Å; H165-W168 PolarHBondContact O-N 2.89Å; H165-W169 WeakPolarHBondContact O-CB 3.46Å; H165-W169 PolarHBondContact O-N 3.07Å; H165-W361 AromaticContact CD2-CH2 3.67Å; H165-W361 AromaticContact CD2-CZ3 3.54Å; H165-W361 AromaticContact CE1-CH2 3.4Å; H165-W361 VanDerWaalsContact CE1-CH2 3.4Å; H165-W361 WeakPolarHBondContact CE1-CH2 3.36Å; H165-W361 AromaticContact CE1-CZ3 3.97Å; H165-W361 AromaticContact CG-CH2 3.68Å; H165-W361 AromaticContact CG-CZ3 3.95Å; H165-W361 AromaticContact ND1-CH2 3.54Å; H165-W361 AromaticContact NE2-CH2 3.49Å; H165-W361 WeakPolarHBondContact NE2-CH2 3.4Å; H165-W361 AromaticContact NE2-CZ3 3.55Å; H165-D366 IonicContact CD2-OD1 3.04Å; H165-D366 PolarHBondContact CE1-O 2.83Å; H165-D366 VanDerWaalsContact CE1-O 3.28Å; H165-D366 IonicContact CE1-OD1 2.71Å; H165-D366 IonicContact NE2-OD1 2.87Å; H165-D366 PolarHBondContact NE2-OD1 2.78Å; H165-Y373 HydrophobicContact CB-CE2 4.39Å; H165-Y373 AromaticContact ND1-CE2 3.54Å
166H96.7Very high95Very high0 Ų021.2 Ų21.20%011%0.106CC..Hα-helixtrans-61.8-48.2179.3177.8-146.1000111.3S95 D97 Y120 Q162 K164 W168 K170S95-H166 PolarHBondContact O-CE1 3.31Å; S95-H166 PolarHBondContact O-NE2 2.77Å; S95-H166 PolarHBondContact OG-NE2 2.91Å; D97-H166 HydrophobicContact CB-CB 4.34Å; Y120-H166 HydrophobicContact CG-CB 4.45Å; Q162-H166 WeakPolarHBondContact O-CB 3.31Å; Q162-H166 PolarHBondContact O-N 3.28Å; K164-H166 VanDerWaalsContact C-N 3.32Å; K164-H166 PolarHBondContact O-N 3.23Å; H166-W168 VanDerWaalsContact C-N 3.35Å; H166-W168 PolarHBondContact O-N 2.86Å; H166-K170 WeakPolarHBondContact O-CB 3.39Å; H166-K170 PolarHBondContact O-N 3.44Å
167W97.3Very high95Very high4 Ų415.8 Ų15.82%0.0158%0.083CC..Hα-helixtrans-58.3-47.5176.9-174.396.2000111.9I163 K164 K170 A171 F255 F270 W278 L282I163-W167 WeakPolarHBondContact O-CB 3.47Å; I163-W167 PolarHBondContact O-N 3.16Å; I163-W167 VanDerWaalsContact O-N 3.08Å; K164-W167 PolarHBondContact O-N 3.36Å; W167-K170 PolarHBondContact O-N 2.95Å; W167-A171 HydrophobicContact CZ3-CB 4.39Å; W167-A171 WeakPolarHBondContact O-CB 3.45Å; W167-A171 PolarHBondContact O-N 2.7Å; W167-F255 HydrophobicContact CZ2-CZ 4.48Å; W167-F270 HydrophobicContact CE3-CE2 4.39Å; W167-F270 AromaticContact CE3-CZ 3.88Å; W167-F270 HydrophobicContact CE3-CZ 3.88Å; W167-F270 AromaticContact CZ3-CE2 3.98Å; W167-F270 HydrophobicContact CZ3-CE2 3.98Å; W167-F270 AromaticContact CZ3-CZ 3.87Å; W167-F270 HydrophobicContact CZ3-CZ 3.87Å; W167-W278 HydrophobicContact CB-CB 4.21Å; W167-W278 HydrophobicContact CB-CG 4.02Å; W167-W278 AromaticContact CD1-CD1 3.62Å; W167-W278 AromaticContact CD1-CD2 3.56Å; W167-W278 AromaticContact CD1-CE2 3.48Å; W167-W278 VanDerWaalsContact CD1-CE2 3.48Å; W167-W278 AromaticContact CD1-CG 3.69Å; W167-W278 AromaticContact CD1-NE1 3.49Å; W167-W278 HydrophobicContact CD2-CB 3.8Å; W167-W278 AromaticContact CD2-CD2 3.71Å; W167-W278 HydrophobicContact CD2-CD2 3.71Å; W167-W278 AromaticContact CD2-CE3 3.91Å; W167-W278 HydrophobicContact CD2-CE3 3.91Å; W167-W278 AromaticContact CD2-CG 3.65Å; W167-W278 HydrophobicContact CD2-CG 3.65Å; W167-W278 AromaticContact CE2-CD2 3.48Å; W167-W278 VanDerWaalsContact CE2-CD2 3.48Å; W167-W278 AromaticContact CE2-CE3 3.33Å; W167-W278 AromaticContact CE2-CG 3.98Å; W167-W278 AromaticContact CE2-CZ3 3.79Å; W167-W278 HydrophobicContact CE3-CB 3.83Å; W167-W278 HydrophobicContact CE3-CD2 4.43Å; W167-W278 HydrophobicContact CE3-CE3 4.42Å; W167-W278 HydrophobicContact CE3-CG 4.2Å; W167-W278 HydrophobicContact CG-CB 3.95Å; W167-W278 AromaticContact CG-CD1 3.65Å; W167-W278 AromaticContact CG-CD2 3.8Å; W167-W278 HydrophobicContact CG-CD2 3.8Å; W167-W278 HydrophobicContact CG-CE3 4.46Å; W167-W278 AromaticContact CG-CG 3.52Å; W167-W278 HydrophobicContact CG-CG 3.52Å; W167-W278 HydrophobicContact CH2-CE3 4.03Å; W167-W278 HydrophobicContact CZ2-CD2 4.08Å; W167-W278 AromaticContact CZ2-CE3 3.42Å; W167-W278 HydrophobicContact CZ2-CE3 3.42Å; W167-W278 VanDerWaalsContact CZ2-CE3 3.42Å; W167-W278 HydrophobicContact CZ2-CH2 4.47Å; W167-W278 AromaticContact CZ2-CZ3 3.66Å; W167-W278 HydrophobicContact CZ2-CZ3 3.66Å; W167-W278 HydrophobicContact CZ3-CE3 4.47Å; W167-W278 AromaticContact NE1-CD2 3.35Å; W167-W278 VanDerWaalsContact NE1-CD2 3.35Å; W167-W278 AromaticContact NE1-CE2 3.39Å; W167-W278 AromaticContact NE1-CE3 3.53Å; W167-W278 AromaticContact NE1-CG 3.95Å; W167-W278 AromaticContact NE1-CH2 3.83Å; W167-W278 AromaticContact NE1-CZ2 3.65Å; W167-W278 AromaticContact NE1-CZ3 3.77Å; W167-W278 AromaticContact NE1-NE1 3.92Å; W167-L282 HydrophobicContact CH2-CD1 3.88Å; W167-L282 HydrophobicContact CZ2-CD1 4.25Å
168W97.5Very high95Very high0 Ų014.4 Ų14.40%07%0.074CC..Hα-helixtrans-64.7-49.6-178.6-176.3-120.8000112.1K164 H165 H166 K170 A171 I172 W260 I263 A267 F270 C370 Y373 L374K164-W168 WeakPolarHBondContact O-CB 3.15Å; K164-W168 PolarHBondContact O-N 3.43Å; H165-W168 PolarHBondContact O-N 2.89Å; H166-W168 VanDerWaalsContact C-N 3.35Å; H166-W168 PolarHBondContact O-N 2.86Å; W168-K170 VanDerWaalsContact C-N 3.34Å; W168-K170 PolarHBondContact O-N 2.81Å; W168-A171 PolarHBondContact O-N 3.18Å; W168-I172 HydrophobicContact CD2-CD1 4.39Å; W168-I172 HydrophobicContact CG-CD1 4.37Å; W168-I172 WeakPolarHBondContact O-CG1 3.3Å; W168-I172 PolarHBondContact O-N 3.4Å; W168-W260 HydrophobicContact CE3-CH2 4.07Å; W168-W260 HydrophobicContact CE3-CZ3 4.07Å; W168-W260 AromaticContact CH2-CH2 3.88Å; W168-W260 HydrophobicContact CH2-CH2 3.88Å; W168-W260 HydrophobicContact CH2-CZ3 4.18Å; W168-W260 HydrophobicContact CZ2-CH2 4.39Å; W168-W260 AromaticContact CZ3-CH2 3.71Å; W168-W260 HydrophobicContact CZ3-CH2 3.71Å; W168-W260 AromaticContact CZ3-CZ3 3.63Å; W168-W260 HydrophobicContact CZ3-CZ3 3.63Å; W168-I263 HydrophobicContact CH2-CG2 4.25Å; W168-I263 HydrophobicContact CZ3-CG2 3.79Å; W168-A267 HydrophobicContact CH2-CB 4.37Å; W168-A267 HydrophobicContact CZ2-CB 4.05Å; W168-F270 HydrophobicContact CB-CE1 3.88Å; W168-F270 HydrophobicContact CB-CZ 4.43Å; W168-F270 AromaticContact CD2-CD1 3.83Å; W168-F270 HydrophobicContact CD2-CD1 3.83Å; W168-F270 AromaticContact CD2-CE1 3.65Å; W168-F270 HydrophobicContact CD2-CE1 3.65Å; W168-F270 HydrophobicContact CD2-CZ 4.39Å; W168-F270 AromaticContact CE3-CD1 3.71Å; W168-F270 HydrophobicContact CE3-CD1 3.71Å; W168-F270 AromaticContact CE3-CE1 3.5Å; W168-F270 HydrophobicContact CE3-CE1 3.5Å; W168-F270 HydrophobicContact CE3-CE2 4.33Å; W168-F270 HydrophobicContact CE3-CG 4.23Å; W168-F270 AromaticContact CE3-CZ 3.84Å; W168-F270 HydrophobicContact CE3-CZ 3.84Å; W168-F270 HydrophobicContact CG-CD1 4.31Å; W168-F270 AromaticContact CG-CE1 3.83Å; W168-F270 HydrophobicContact CG-CE1 3.83Å; W168-F270 HydrophobicContact CH2-CD1 4.4Å; W168-F270 HydrophobicContact CH2-CG 4.48Å; W168-F270 HydrophobicContact CZ2-CD1 4.49Å; W168-F270 HydrophobicContact CZ3-CD1 4.01Å; W168-F270 HydrophobicContact CZ3-CD2 4.38Å; W168-F270 HydrophobicContact CZ3-CE1 4.22Å; W168-F270 HydrophobicContact CZ3-CG 4.11Å; W168-F270 HydrophobicContact CZ3-CZ 4.48Å; W168-C370 VanDerWaalsContact CD1-O 3.3Å; W168-C370 VanDerWaalsContact CD1-SG 3.56Å; W168-C370 PolarHBondContact NE1-O 2.95Å; W168-Y373 AromaticContact CD1-CD2 3.93Å; W168-L374 HydrophobicContact CZ2-CD1 3.8Å; W168-L374 HydrophobicContact CZ2-CD2 3.95Å; W168-L374 HydrophobicContact CZ2-CG 3.95Å
169W96.3Very high95Very high24 Ų2414.5 Ų14.59%0.0917%0.074CC..Hα-helixtrans-58.1-46.4175.8172.982.6000111.4L118 L119 Y120 P121 H165 A171 I172 Q173 Y373L118-W169 HydrophobicContact CB-CH2 3.89Å; L118-W169 HydrophobicContact CB-CZ3 4.06Å; L119-W169 WeakPolarHBondContact O-CH2 3.23Å; Y120-W169 HydrophobicContact CD2-CB 4.1Å; Y120-W169 AromaticContact CD2-CD2 3.77Å; Y120-W169 HydrophobicContact CD2-CD2 3.77Å; Y120-W169 AromaticContact CD2-CE3 3.76Å; Y120-W169 HydrophobicContact CD2-CE3 3.76Å; Y120-W169 AromaticContact CD2-CG 3.92Å; Y120-W169 HydrophobicContact CD2-CG 3.92Å; Y120-W169 HydrophobicContact CD2-CZ3 4.44Å; Y120-W169 HydrophobicContact CE2-CB 4.03Å; Y120-W169 HydrophobicContact CE2-CD2 4.45Å; Y120-W169 HydrophobicContact CE2-CG 4.12Å; Y120-W169 HydrophobicContact CG-CE3 4.47Å; P121-W169 VanDerWaalsContact CD-CZ2 3.43Å; P121-W169 HydrophobicContact CG-CZ2 4.33Å; H165-W169 WeakPolarHBondContact O-CB 3.46Å; H165-W169 PolarHBondContact O-N 3.07Å; W169-A171 PolarHBondContact O-N 2.96Å; W169-I172 WeakPolarHBondContact O-CB 3.25Å; W169-I172 PolarHBondContact O-N 3.43Å; W169-Q173 HydrophobicContact CD2-CG 3.87Å; W169-Q173 VanDerWaalsContact CE2-CG 3.48Å; W169-Q173 HydrophobicContact CE3-CG 4.23Å; W169-Q173 HydrophobicContact CG-CG 4.49Å; W169-Q173 HydrophobicContact CH2-CG 3.96Å; W169-Q173 HydrophobicContact CZ2-CG 3.53Å; W169-Q173 HydrophobicContact CZ3-CG 4.28Å; W169-Q173 WeakPolarHBondContact O-CG 3.34Å; W169-Q173 PolarHBondContact O-N 3.38Å; W169-Y373 HydrophobicContact CB-CD2 4.3Å; W169-Y373 HydrophobicContact CB-CE2 4.34Å; W169-Y373 HydrophobicContact CB-CG 4.44Å; W169-Y373 AromaticContact CD1-CD1 3.77Å
170K95.6Very high94.9Very high2 Ų214.5 Ų14.51%0.0097%0.073CC..Hα-helixtrans-60.4-43.8177.8176.2-173.777.8-170.40112V64 Q66 S95 H166 W167 W168 I172 Q173 V174V64-K170 HydrophobicContact CG1-CD 3.57Å; V64-K170 HydrophobicContact CG1-CG 3.81Å; Q66-K170 VanDerWaalsContact CB-NZ 3.33Å; S95-K170 WeakPolarHBondContact OG-CD 3.36Å; S95-K170 WeakPolarHBondContact OG-CG 3.23Å; H166-K170 WeakPolarHBondContact O-CB 3.39Å; H166-K170 PolarHBondContact O-N 3.44Å; W167-K170 PolarHBondContact O-N 2.95Å; W168-K170 VanDerWaalsContact C-N 3.34Å; W168-K170 PolarHBondContact O-N 2.81Å; K170-I172 VanDerWaalsContact C-N 3.3Å; K170-I172 PolarHBondContact O-N 3.47Å; K170-Q173 PolarHBondContact O-N 2.94Å; K170-V174 VanDerWaalsContact O-CG2 3.31Å; K170-V174 WeakPolarHBondContact O-CG2 3.24Å; K170-V174 PolarHBondContact O-N 3.26Å
171A96.6Very high94.5Very high0 Ų019 Ų190%09%0.094CC..Hα-helixtrans-60.9-41.3176.900000111.3W167 W168 W169 V174 F175 W260W167-A171 HydrophobicContact CZ3-CB 4.39Å; W167-A171 WeakPolarHBondContact O-CB 3.45Å; W167-A171 PolarHBondContact O-N 2.7Å; W168-A171 PolarHBondContact O-N 3.18Å; W169-A171 PolarHBondContact O-N 2.96Å; A171-V174 PolarHBondContact O-N 3.24Å; A171-F175 VanDerWaalsContact O-CD2 3.31Å; A171-F175 WeakPolarHBondContact O-CD2 3.35Å; A171-F175 PolarHBondContact O-N 2.04Å; A171-W260 HydrophobicContact CB-CE3 4.07Å; A171-W260 HydrophobicContact CB-CH2 4.01Å; A171-W260 HydrophobicContact CB-CZ3 3.48Å; A171-W260 VanDerWaalsContact CB-CZ3 3.48Å
172I95.6Very high94.1Very high1 Ų119.4 Ų19.41%0.00510%0.096CC..Hα-helixtrans-60.6-50.5172.9-65165.8000110.6W168 W169 K170 V174 F175 E176 W260 Y373 L374 V377W168-I172 HydrophobicContact CD2-CD1 4.39Å; W168-I172 HydrophobicContact CG-CD1 4.37Å; W168-I172 WeakPolarHBondContact O-CG1 3.3Å; W168-I172 PolarHBondContact O-N 3.4Å; W169-I172 WeakPolarHBondContact O-CB 3.25Å; W169-I172 PolarHBondContact O-N 3.43Å; K170-I172 VanDerWaalsContact C-N 3.3Å; K170-I172 PolarHBondContact O-N 3.47Å; I172-V174 PolarHBondContact O-N 2.9Å; I172-F175 PolarHBondContact O-N 3.26Å; I172-E176 HydrophobicContact CG2-CB 4.34Å; I172-E176 HydrophobicContact CG2-CG 4.05Å; I172-E176 VanDerWaalsContact O-CB 3.27Å; I172-E176 WeakPolarHBondContact O-CB 2.97Å; I172-E176 PolarHBondContact O-N 3.19Å; I172-W260 HydrophobicContact CB-CH2 4.49Å; I172-W260 HydrophobicContact CB-CZ2 4.36Å; I172-W260 HydrophobicContact CG1-CH2 3.53Å; I172-W260 HydrophobicContact CG1-CZ2 3.61Å; I172-Y373 VanDerWaalsContact CD1-CB 3.48Å; I172-L374 HydrophobicContact CD1-CD2 3.64Å; I172-L374 HydrophobicContact CD1-CG 4.05Å; I172-L374 HydrophobicContact CG1-CD2 3.84Å; I172-V377 HydrophobicContact CG2-CG2 3.95Å
173Q93.7Very high93.7Very high36 Ų3624.2 Ų24.217%0.16812%0.123CC..Iπ-helixtrans-55.3-42.9178.9-66.2-46.1-69.200112.1L118 W169 K170 H177 I178L118-Q173 HydrophobicContact CD1-CB 3.69Å; L118-Q173 HydrophobicContact CD1-CG 4.36Å; W169-Q173 HydrophobicContact CD2-CG 3.87Å; W169-Q173 VanDerWaalsContact CE2-CG 3.48Å; W169-Q173 HydrophobicContact CE3-CG 4.23Å; W169-Q173 HydrophobicContact CG-CG 4.49Å; W169-Q173 HydrophobicContact CH2-CG 3.96Å; W169-Q173 HydrophobicContact CZ2-CG 3.53Å; W169-Q173 HydrophobicContact CZ3-CG 4.28Å; W169-Q173 WeakPolarHBondContact O-CG 3.34Å; W169-Q173 PolarHBondContact O-N 3.38Å; K170-Q173 PolarHBondContact O-N 2.94Å; Q173-H177 WeakPolarHBondContact O-CB 3.43Å; Q173-H177 PolarHBondContact O-N 3.45Å; Q173-I178 PolarHBondContact O-N 2.73Å; Q173-I178 VanDerWaalsContact O-N 3.14Å
174V94Very high93.5Very high0 Ų023.6 Ų23.60%012%0.118CC..Iπ-helixtrans-69.4-54.9179.41740000111.5V64 V93 K170 A171 I172 I178 V179 V188V64-V174 HydrophobicContact CG1-CG2 4.04Å; V64-V174 HydrophobicContact CG2-CB 4.45Å; V64-V174 HydrophobicContact CG2-CG1 3.99Å; V64-V174 HydrophobicContact CG2-CG2 3.67Å; V93-V174 HydrophobicContact CG1-CG2 4.31Å; K170-V174 VanDerWaalsContact O-CG2 3.31Å; K170-V174 WeakPolarHBondContact O-CG2 3.24Å; K170-V174 PolarHBondContact O-N 3.26Å; A171-V174 PolarHBondContact O-N 3.24Å; I172-V174 PolarHBondContact O-N 2.9Å; V174-I178 HydrophobicContact CG2-CD1 4.31Å; V174-I178 PolarHBondContact O-N 3.12Å; V174-V179 HydrophobicContact CG1-CG2 4.02Å; V174-V179 WeakPolarHBondContact O-CB 3.26Å; V174-V179 VanDerWaalsContact O-CG2 3.3Å; V174-V179 WeakPolarHBondContact O-CG2 3.19Å; V174-V179 PolarHBondContact O-N 3.45Å; V174-V188 HydrophobicContact CG1-CG1 3.94Å; V174-V188 HydrophobicContact CG1-CG2 4.34Å
175F95.7Very high93.3Very high1 Ų128 Ų280%0.00414%0.142CC..Iπ-helixtrans-83-24.3-169.3-73.9-69.4000115.1A171 I172 V179 P180 V188 F190 F255 K257 W260A171-F175 VanDerWaalsContact O-CD2 3.31Å; A171-F175 WeakPolarHBondContact O-CD2 3.35Å; A171-F175 PolarHBondContact O-N 2.04Å; I172-F175 PolarHBondContact O-N 3.26Å; F175-V179 HydrophobicContact CD1-CG2 4.1Å; F175-P180 VanDerWaalsContact O-CD 3.26Å; F175-P180 WeakPolarHBondContact O-CD 3.46Å; F175-V188 HydrophobicContact CD1-CG2 4.43Å; F175-V188 HydrophobicContact CE1-CB 4.12Å; F175-V188 HydrophobicContact CE1-CG2 3.57Å; F175-V188 HydrophobicContact CZ-CB 3.84Å; F175-V188 HydrophobicContact CZ-CG1 4.31Å; F175-V188 HydrophobicContact CZ-CG2 3.82Å; F175-F190 HydrophobicContact CE2-CE2 4.09Å; F175-F190 AromaticContact CE2-CZ 3.7Å; F175-F190 HydrophobicContact CE2-CZ 3.7Å; F175-F190 HydrophobicContact CZ-CE2 4.16Å; F175-F190 HydrophobicContact CZ-CZ 4.18Å; F175-F255 HydrophobicContact CD2-CE2 4.25Å; F175-F255 HydrophobicContact CE1-CE2 4.43Å; F175-F255 HydrophobicContact CE2-CD2 4.03Å; F175-F255 AromaticContact CE2-CE2 3.19Å; F175-F255 HydrophobicContact CE2-CE2 3.19Å; F175-F255 AromaticContact CE2-CZ 3.6Å; F175-F255 HydrophobicContact CE2-CZ 3.6Å; F175-F255 AromaticContact CZ-CD2 3.64Å; F175-F255 HydrophobicContact CZ-CD2 3.64Å; F175-F255 AromaticContact CZ-CE2 3.31Å; F175-F255 HydrophobicContact CZ-CE2 3.31Å; F175-F255 AromaticContact CZ-CZ 3.97Å; F175-F255 HydrophobicContact CZ-CZ 3.97Å; F175-K257 HydrophobicContact CD1-CB 4.19Å; F175-K257 HydrophobicContact CD1-CG 4.43Å; F175-W260 HydrophobicContact CB-CB 4.22Å; F175-W260 HydrophobicContact CB-CD2 3.88Å; F175-W260 HydrophobicContact CB-CG 3.52Å; F175-W260 HydrophobicContact CD1-CB 3.96Å; F175-W260 HydrophobicContact CD1-CG 4.19Å; F175-W260 HydrophobicContact CD2-CB 3.77Å; F175-W260 AromaticContact CD2-CD2 3.65Å; F175-W260 HydrophobicContact CD2-CD2 3.65Å; F175-W260 AromaticContact CD2-CE3 3.86Å; F175-W260 HydrophobicContact CD2-CE3 3.86Å; F175-W260 AromaticContact CD2-CG 3.6Å; F175-W260 HydrophobicContact CD2-CG 3.6Å; F175-W260 HydrophobicContact CE1-CB 4.24Å; F175-W260 HydrophobicContact CE2-CB 4.06Å; F175-W260 HydrophobicContact CE2-CD2 4.47Å; F175-W260 HydrophobicContact CE2-CE3 4.39Å; F175-W260 HydrophobicContact CE2-CG 4.34Å; F175-W260 HydrophobicContact CG-CB 3.72Å; F175-W260 AromaticContact CG-CD1 3.83Å; F175-W260 AromaticContact CG-CD2 3.97Å; F175-W260 HydrophobicContact CG-CD2 3.97Å; F175-W260 AromaticContact CG-CG 3.51Å; F175-W260 HydrophobicContact CG-CG 3.51Å; F175-W260 HydrophobicContact CZ-CB 4.28Å
176E93.1Very high93.2Very high51 Ų5128.8 Ų28.824%0.23815%0.151CC..Iπ-helixtrans-99-16.6-179.2-55.4-67.416800112.5I172 W260 K264 V377I172-E176 HydrophobicContact CG2-CB 4.34Å; I172-E176 HydrophobicContact CG2-CG 4.05Å; I172-E176 VanDerWaalsContact O-CB 3.27Å; I172-E176 WeakPolarHBondContact O-CB 2.97Å; I172-E176 PolarHBondContact O-N 3.19Å; E176-W260 PolarHBondContact OE1-NE1 3.08Å; E176-K264 WeakPolarHBondContact OE1-CD 3.34Å; E176-K264 IonicContact OE1-NZ 2.84Å; E176-K264 PolarHBondContact OE1-NZ 3.06Å; E176-K264 IonicContact OE2-NZ 2.77Å; E176-K264 PolarHBondContact OE2-NZ 2.91Å; E176-V377 HydrophobicContact CB-CG1 4.41Å
177H90.6Very high93.2Very high45 Ų4529.5 Ų29.521%0.20815%0.153CC..Iπ-helixtrans-123.9-62.9178.2-51.5-97.5000113.3Q173 V179 P180 Q181 V377Q173-H177 WeakPolarHBondContact O-CB 3.43Å; Q173-H177 PolarHBondContact O-N 3.45Å; H177-V179 PolarHBondContact O-N 3.28Å; H177-P180 WeakPolarHBondContact O-CD 3.09Å; H177-Q181 VanDerWaalsContact O-CB 3.25Å; H177-Q181 WeakPolarHBondContact O-CB 3.07Å; H177-Q181 WeakPolarHBondContact O-CG 3.49Å; H177-Q181 PolarHBondContact O-N 2.87Å; H177-V377 WeakPolarHBondContact CE1-CG1 3.44Å; H177-V377 WeakPolarHBondContact NE2-CG1 3.29Å; H177-V377 VanDerWaalsContact NE2-CG2 3.32Å; H177-V377 WeakPolarHBondContact NE2-CG2 3.48Å
178I91.1Very high93.3Very high15 Ų1529.3 Ų29.38%0.07715%0.153CC..Iπ-helixtrans-62.8-48.3-172.7-61.2177.2000111I62 L91 V93 V116 L118 Q173 V174 Q181 S182I62-I178 HydrophobicContact CD1-CG2 4.29Å; L91-I178 HydrophobicContact CD2-CG2 3.87Å; V93-I178 HydrophobicContact CB-CD1 4.48Å; V93-I178 HydrophobicContact CG1-CD1 3.73Å; V93-I178 HydrophobicContact CG2-CD1 3.88Å; V116-I178 HydrophobicContact CG1-CD1 4.32Å; L118-I178 HydrophobicContact CD1-CD1 4.18Å; L118-I178 HydrophobicContact CD2-CD1 4.47Å; Q173-I178 PolarHBondContact O-N 2.73Å; Q173-I178 VanDerWaalsContact O-N 3.14Å; V174-I178 HydrophobicContact CG2-CD1 4.31Å; V174-I178 PolarHBondContact O-N 3.12Å; I178-Q181 PolarHBondContact O-N 3.3Å; I178-S182 WeakPolarHBondContact O-CB 3.31Å; I178-S182 PolarHBondContact O-N 3.22Å; I178-S182 PolarHBondContact O-OG 3.23Å
179V92.6Very high93.3Very high2 Ų229.4 Ų29.41%0.01215%0.153CC..Hα-helixtrans-61.5-50.7-178.8163.90000111.4I62 V174 F175 H177 S182 D183 Y184 V188 K257I62-V179 HydrophobicContact CD1-CG2 4.04Å; V174-V179 HydrophobicContact CG1-CG2 4.02Å; V174-V179 WeakPolarHBondContact O-CB 3.26Å; V174-V179 VanDerWaalsContact O-CG2 3.3Å; V174-V179 WeakPolarHBondContact O-CG2 3.19Å; V174-V179 PolarHBondContact O-N 3.45Å; F175-V179 HydrophobicContact CD1-CG2 4.1Å; H177-V179 PolarHBondContact O-N 3.28Å; V179-S182 PolarHBondContact O-N 2.88Å; V179-S182 PolarHBondContact O-OG 3.2Å; V179-D183 PolarHBondContact O-N 2.69Å; V179-Y184 WeakPolarHBondContact CG1-O 3.49Å; V179-Y184 HydrophobicContact CG2-CD1 4.31Å; V179-Y184 PolarHBondContact O-N 3.27Å; V179-V188 HydrophobicContact CG2-CG2 4.08Å; V179-K257 HydrophobicContact CG1-CB 4.48Å; V179-K257 HydrophobicContact CG1-CD 4.01Å
180P90.1Very high93.4Very high57 Ų5728.9 Ų28.937%0.3715%0.151SC..Hα-helixtrans-60-44.7173.2-27.936000114.6F175 H177 S182 D183F175-P180 VanDerWaalsContact O-CD 3.26Å; F175-P180 WeakPolarHBondContact O-CD 3.46Å; H177-P180 WeakPolarHBondContact O-CD 3.09Å; P180-S182 PolarHBondContact O-N 3.37Å; P180-D183 PolarHBondContact O-N 2.94Å
181Q87.2Confident93.6Very high118 Ų11828.9 Ų28.955%0.55115%0.152SC*.Hα-helixtrans-65.7-26.4-178.6-73.7172.7-5.500113.2H177 I178H177-Q181 VanDerWaalsContact O-CB 3.25Å; H177-Q181 WeakPolarHBondContact O-CB 3.07Å; H177-Q181 WeakPolarHBondContact O-CG 3.49Å; H177-Q181 PolarHBondContact O-N 2.87Å; I178-Q181 PolarHBondContact O-N 3.3Å
182S86.4Confident93.6Very high8 Ų831.5 Ų31.56%0.05616%0.164CC..THydrogen-bonded Turntrans-95.33.1178.457.20000113.9I178 V179 P180 Y184I178-S182 WeakPolarHBondContact O-CB 3.31Å; I178-S182 PolarHBondContact O-N 3.22Å; I178-S182 PolarHBondContact O-OG 3.23Å; V179-S182 PolarHBondContact O-N 2.88Å; V179-S182 PolarHBondContact O-OG 3.2Å; P180-S182 PolarHBondContact O-N 3.37Å; S182-Y184 PolarHBondContact O-N 3.46Å; S182-Y184 WeakPolarHBondContact OG-CB 3.3Å
183D87.4Confident93.6Very high116 Ų11631.5 Ų31.562%0.6216%0.164SC*.THydrogen-bonded Turntrans46.941.2-170.4-174.948.1000112.1R58 V179 P180R58-D183 PolarHBondContact NE-O 3.5Å; R58-D183 VanDerWaalsContact NE-O 3.16Å; R58-D183 PolarHBondContact NH1-O 3.05Å; R58-D183 IonicContact NH1-OD2 3.39Å; R58-D183 PolarHBondContact NH1-OD2 3.12Å; V179-D183 PolarHBondContact O-N 2.69Å; P180-D183 PolarHBondContact O-N 2.94Å
184Y92.3Very high93.7Very high14 Ų1430 Ų306%0.05516%0.157CC..  trans-89.5122.7-174.5-170.4-107.2000111.4P59 K60 W61 I62 V179 S182 G186 W187 V188P59-Y184 HydrophobicContact CG-CD2 4.21Å; P59-Y184 WeakPolarHBondContact O-CD2 3.31Å; P59-Y184 VanDerWaalsContact O-CE2 3.27Å; P59-Y184 WeakPolarHBondContact O-CE2 3.49Å; K60-Y184 WeakPolarHBondContact O-CE2 3.26Å; K60-Y184 PolarHBondContact O-OH 3.2Å; W61-Y184 WeakPolarHBondContact CA-OH 3.33Å; I62-Y184 HydrophobicContact CB-CD1 4.48Å; I62-Y184 HydrophobicContact CB-CE1 4.11Å; I62-Y184 HydrophobicContact CD1-CD1 3.45Å; I62-Y184 VanDerWaalsContact CD1-CD1 3.45Å; I62-Y184 HydrophobicContact CD1-CD2 4.22Å; I62-Y184 HydrophobicContact CD1-CE1 3.97Å; I62-Y184 HydrophobicContact CD1-CG 3.59Å; I62-Y184 HydrophobicContact CG1-CD1 3.85Å; I62-Y184 HydrophobicContact CG1-CD2 4.23Å; I62-Y184 HydrophobicContact CG1-CE1 3.84Å; I62-Y184 HydrophobicContact CG1-CE2 4.26Å; I62-Y184 HydrophobicContact CG1-CG 4.03Å; V179-Y184 WeakPolarHBondContact CG1-O 3.49Å; V179-Y184 HydrophobicContact CG2-CD1 4.31Å; V179-Y184 PolarHBondContact O-N 3.27Å; S182-Y184 PolarHBondContact O-N 3.46Å; S182-Y184 WeakPolarHBondContact OG-CB 3.3Å; Y184-G186 WeakPolarHBondContact OH-CA 3.23Å; Y184-W187 PolarHBondContact OH-N 3.14Å; Y184-W187 PolarHBondContact OH-O 3.47Å; Y184-W187 VanDerWaalsContact OH-O 3.05Å; Y184-V188 HydrophobicContact CD1-CG2 4.44Å; Y184-V188 HydrophobicContact CE1-CG2 4.17Å
185D91.7Very high93.9Very high93 Ų9330.3 Ų30.350%0.49716%0.159SC..  trans-117.123.7169.5-174.341000112.5K256D185-K256 WeakPolarHBondContact O-CE 3.46Å; D185-K256 PolarHBondContact O-NZ 3.43Å; D185-K256 VanDerWaalsContact OD1-CE 3.24Å; D185-K256 WeakPolarHBondContact OD1-CE 3.25Å; D185-K256 IonicContact OD1-NZ 2.99Å; D185-K256 PolarHBondContact OD1-NZ 3.24Å; D185-K256 IonicContact OD2-NZ 2.68Å; D185-K256 PolarHBondContact OD2-NZ 3.47Å
186G95.3Very high94.1Very high18 Ų1831.3 Ų31.319%0.18616%0.163CC..SBendtrans-88.8-166.2178.100000113.6Y184Y184-G186 WeakPolarHBondContact OH-CA 3.23Å
187W97.1Very high94.3Very high14 Ų1429 Ų295%0.05315%0.152CC..PPolyproline II helixtrans-89.6127.3177-69.976.9000110Y184 I209 K212 E220 L222 A254 K256Y184-W187 PolarHBondContact OH-N 3.14Å; Y184-W187 PolarHBondContact OH-O 3.47Å; Y184-W187 VanDerWaalsContact OH-O 3.05Å; W187-I209 HydrophobicContact CB-CD1 4.17Å; W187-I209 HydrophobicContact CG-CD1 3.86Å; W187-I209 HydrophobicContact CG-CG1 4.11Å; W187-K212 HydrophobicContact CH2-CD 4.28Å; W187-K212 HydrophobicContact CZ2-CD 3.58Å; W187-K212 VanDerWaalsContact CZ2-CE 3.44Å; W187-E220 VanDerWaalsContact CZ3-O 3.27Å; W187-E220 WeakPolarHBondContact CZ3-O 3.49Å; W187-L222 HydrophobicContact CD2-CD1 3.64Å; W187-L222 HydrophobicContact CD2-CG 4.05Å; W187-L222 HydrophobicContact CE3-CB 4.41Å; W187-L222 HydrophobicContact CE3-CD1 3.69Å; W187-L222 HydrophobicContact CE3-CG 3.6Å; W187-L222 HydrophobicContact CG-CD1 4.14Å; W187-L222 HydrophobicContact CH2-CD1 4.4Å; W187-L222 HydrophobicContact CH2-CD2 4.16Å; W187-L222 HydrophobicContact CH2-CG 3.91Å; W187-L222 HydrophobicContact CZ2-CD1 4.36Å; W187-L222 HydrophobicContact CZ2-CG 4.33Å; W187-L222 HydrophobicContact CZ3-CB 4.42Å; W187-L222 HydrophobicContact CZ3-CD1 4.08Å; W187-L222 HydrophobicContact CZ3-CD2 4.24Å; W187-L222 HydrophobicContact CZ3-CG 3.53Å; W187-A254 HydrophobicContact CB-CB 4.45Å; W187-A254 HydrophobicContact CE3-CB 4.23Å; W187-A254 WeakPolarHBondContact CZ3-O 3.45Å; W187-K256 HydrophobicContact CD2-CG 3.89Å; W187-K256 HydrophobicContact CE3-CG 4.31Å; W187-K256 HydrophobicContact CG-CG 4.21Å; W187-K256 HydrophobicContact CH2-CG 4.47Å; W187-K256 HydrophobicContact CZ2-CD 4.27Å; W187-K256 HydrophobicContact CZ2-CG 4.05Å
188V98.4Very high94.6Very high1 Ų126.8 Ų26.81%0.00614%0.142CC..EExtended strand (participates in β ladder)trans-91.5117.2173.7-179.60000108.1I62 V64 V174 F175 V179 Y184 F190 A254 F255I62-V188 HydrophobicContact CB-CG2 4.38Å; I62-V188 HydrophobicContact CG2-CG1 4.19Å; I62-V188 WeakPolarHBondContact O-CA 3.49Å; V64-V188 HydrophobicContact CB-CG1 4.49Å; V64-V188 HydrophobicContact CG2-CG1 3.45Å; V64-V188 VanDerWaalsContact CG2-CG1 3.45Å; V174-V188 HydrophobicContact CG1-CG1 3.94Å; V174-V188 HydrophobicContact CG1-CG2 4.34Å; F175-V188 HydrophobicContact CD1-CG2 4.43Å; F175-V188 HydrophobicContact CE1-CB 4.12Å; F175-V188 HydrophobicContact CE1-CG2 3.57Å; F175-V188 HydrophobicContact CZ-CB 3.84Å; F175-V188 HydrophobicContact CZ-CG1 4.31Å; F175-V188 HydrophobicContact CZ-CG2 3.82Å; V179-V188 HydrophobicContact CG2-CG2 4.08Å; Y184-V188 HydrophobicContact CD1-CG2 4.44Å; Y184-V188 HydrophobicContact CE1-CG2 4.17Å; V188-F190 HydrophobicContact CB-CE2 4.04Å; V188-F190 HydrophobicContact CG1-CD2 4.26Å; V188-F190 HydrophobicContact CG1-CE2 3.58Å; V188-F190 HydrophobicContact CG1-CZ 3.76Å; V188-A254 WeakPolarHBondContact O-CA 3.28Å; V188-A254 WeakPolarHBondContact O-CB 3.4Å; V188-F255 PolarHBondContact N-O 3.07Å; V188-F255 PolarHBondContact O-N 3.14Å; V188-F255 VanDerWaalsContact O-N 3.11Å
189L98.7Very high94.8Very high2 Ų227.9 Ų27.91%0.0115%0.149CC..EExtended strand (participates in β ladder)trans-90.7126.5178.2175.263.7000110.2I62 I63 V64 L191 L201 L224 A254I62-L189 PolarHBondContact O-N 3.26Å; I63-L189 CarbonylContact C-O 3.05Å; I63-L189 WeakPolarHBondContact CA-O 3.32Å; I63-L189 HydrophobicContact CD1-CD2 4.46Å; I63-L189 HydrophobicContact CG1-CB 4.39Å; I63-L189 HydrophobicContact CG1-CD2 4.32Å; I63-L189 HydrophobicContact CG2-CB 4.48Å; I63-L189 HydrophobicContact CG2-CD2 4.25Å; I63-L189 HydrophobicContact CG2-CG 4.36Å; V64-L189 PolarHBondContact N-O 2.99Å; L189-L191 HydrophobicContact CD1-CD2 4.47Å; L189-L191 HydrophobicContact CD2-CD2 4.4Å; L189-L191 HydrophobicContact CG-CD2 4.29Å; L189-L191 HydrophobicContact CG-CG 4.34Å; L189-L201 HydrophobicContact CD2-CD1 4.37Å; L189-L201 HydrophobicContact CD2-CD2 3.97Å; L189-L201 HydrophobicContact CD2-CG 4.45Å; L189-L224 HydrophobicContact CD1-CD1 4.02Å; L189-L224 HydrophobicContact CD2-CD1 4.28Å; L189-A254 HydrophobicContact CB-CB 4.27Å; L189-A254 HydrophobicContact CD1-CB 4.06Å
190F98.5Very high95Very high12 Ų1227.8 Ų27.85%0.05315%0.149CC..EExtended strand (participates in β ladder)trans-101.7129.8177-68.3-95.3000110.8V64 F175 V188 L253 F255V64-F190 HydrophobicContact CB-CD1 3.95Å; V64-F190 HydrophobicContact CB-CE1 4.04Å; V64-F190 HydrophobicContact CG1-CD1 4.09Å; V64-F190 HydrophobicContact CG1-CE1 4.03Å; V64-F190 HydrophobicContact CG2-CE1 4.29Å; V64-F190 WeakPolarHBondContact O-CA 3.46Å; F175-F190 HydrophobicContact CE2-CE2 4.09Å; F175-F190 AromaticContact CE2-CZ 3.7Å; F175-F190 HydrophobicContact CE2-CZ 3.7Å; F175-F190 HydrophobicContact CZ-CE2 4.16Å; F175-F190 HydrophobicContact CZ-CZ 4.18Å; V188-F190 HydrophobicContact CB-CE2 4.04Å; V188-F190 HydrophobicContact CG1-CD2 4.26Å; V188-F190 HydrophobicContact CG1-CE2 3.58Å; V188-F190 HydrophobicContact CG1-CZ 3.76Å; F190-L253 WeakPolarHBondContact CB-O 3.32Å; F190-L253 PolarHBondContact N-O 3.14Å; F190-F255 HydrophobicContact CD2-CD1 4.03Å; F190-F255 AromaticContact CD2-CE1 3.54Å; F190-F255 HydrophobicContact CD2-CE1 3.54Å; F190-F255 HydrophobicContact CD2-CZ 4.23Å; F190-F255 AromaticContact CE2-CD1 3.83Å; F190-F255 HydrophobicContact CE2-CD1 3.83Å; F190-F255 AromaticContact CE2-CE1 3.19Å; F190-F255 HydrophobicContact CE2-CE1 3.19Å; F190-F255 HydrophobicContact CE2-CE2 4.24Å; F190-F255 AromaticContact CE2-CZ 3.44Å; F190-F255 HydrophobicContact CE2-CZ 3.44Å; F190-F255 VanDerWaalsContact CE2-CZ 3.44Å; F190-F255 AromaticContact CZ-CE1 3.93Å; F190-F255 HydrophobicContact CZ-CE1 3.93Å; F190-F255 AromaticContact CZ-CZ 3.76Å; F190-F255 HydrophobicContact CZ-CZ 3.76Å
191L98.5Very high95.3Very high3 Ų325 Ų252%0.01613%0.131CC..EExtended strand (participates in β ladder)trans-127.7159.8175.7-59.1178.8000110I63 V64 V65 Q66 L77 L81 L189 V197 V304I63-L191 HydrophobicContact CG2-CD1 3.55Å; I63-L191 HydrophobicContact CG2-CG 3.99Å; V64-L191 PolarHBondContact O-N 3.47Å; V65-L191 CarbonylContact C-O 3.58Å; V65-L191 WeakPolarHBondContact CA-O 3.39Å; V65-L191 HydrophobicContact CG2-CB 4.39Å; Q66-L191 PolarHBondContact N-O 3.31Å; L77-L191 HydrophobicContact CD1-CD1 4.2Å; L81-L191 HydrophobicContact CD2-CD1 4.41Å; L189-L191 HydrophobicContact CD1-CD2 4.47Å; L189-L191 HydrophobicContact CD2-CD2 4.4Å; L189-L191 HydrophobicContact CG-CD2 4.29Å; L189-L191 HydrophobicContact CG-CG 4.34Å; L191-V197 HydrophobicContact CD1-CG1 4.05Å; L191-V197 HydrophobicContact CD2-CG1 4.4Å; L191-V304 HydrophobicContact CD2-CB 4.48Å; L191-V304 HydrophobicContact CD2-CG1 3.7Å; L191-V304 HydrophobicContact CD2-CG2 3.9Å
192E97.4Very high95.7Very high55 Ų5519.5 Ų19.526%0.25711%0.105SC..EExtended strand (participates in β ladder)trans-112.5155.3168.2-59.9-173.2-17900109.7Q66 L77 D194 N195Q66-E192 HydrophobicContact CB-CG 4.43Å; L77-E192 WeakPolarHBondContact CD2-O 3.28Å; E192-D194 PolarHBondContact O-N 3Å; E192-N195 PolarHBondContact N-OD1 3.17Å; E192-N195 WeakPolarHBondContact O-CB 3.3Å; E192-N195 VanDerWaalsContact O-CG 3.3Å; E192-N195 PolarHBondContact O-N 3.34Å
193E96.5Very high96.1Very high0 Ų021.1 Ų21.10%011%0.114CC..THydrogen-bonded Turntrans-56.1-23.1-17964.2177.6-176.200114.6Q66 H68 R70 Y73 L74 N195Q66-E193 PolarHBondContact O-N 3.17Å; H68-E193 WeakPolarHBondContact CA-OE2 3.29Å; H68-E193 VanDerWaalsContact CB-OE1 3.26Å; H68-E193 WeakPolarHBondContact CB-OE1 3.38Å; H68-E193 IonicContact CD2-OE1 3.1Å; H68-E193 IonicContact CG-OE1 3.94Å; H68-E193 PolarHBondContact N-OE2 3.38Å; R70-E193 VanDerWaalsContact CB-OE1 3.3Å; R70-E193 WeakPolarHBondContact CB-OE1 3.44Å; R70-E193 WeakPolarHBondContact CG-OE1 3.35Å; R70-E193 IonicContact CZ-OE1 2.68Å; R70-E193 PolarHBondContact N-OE1 3.37Å; R70-E193 PolarHBondContact N-OE2 2.99Å; R70-E193 IonicContact NE-OE1 2.66Å; R70-E193 PolarHBondContact NE-OE1 2.67Å; R70-E193 IonicContact NH2-OE1 3.31Å; R70-E193 PolarHBondContact NH2-OE1 3.48Å; Y73-E193 CarbonylContact C-O 3.55Å; Y73-E193 WeakPolarHBondContact CB-O 2.8Å; Y73-E193 VanDerWaalsContact O-O 3.1Å; L74-E193 HydrophobicContact CB-CB 4.33Å; L74-E193 HydrophobicContact CD1-CB 4.38Å; L74-E193 PolarHBondContact N-O 3.32Å; E193-N195 VanDerWaalsContact C-N 3.28Å
194D96Very high96.5Very high6 Ų615.7 Ų15.73%0.0328%0.084CC..THydrogen-bonded Turntrans-94.419.8177.371.314.2000113.8R70 Y73 E192 H306 I307R70-D194 IonicContact CZ-OD2 3.95Å; R70-D194 IonicContact NH1-OD2 3.92Å; R70-D194 PolarHBondContact NH1-OD2 3.15Å; R70-D194 VanDerWaalsContact NH2-CG 3.31Å; R70-D194 IonicContact NH2-OD2 3.22Å; R70-D194 PolarHBondContact NH2-OD2 3.4Å; Y73-D194 HydrophobicContact CD1-CB 4.49Å; Y73-D194 HydrophobicContact CD2-CB 4.1Å; Y73-D194 HydrophobicContact CG-CB 4.01Å; E192-D194 PolarHBondContact O-N 3Å; D194-H306 VanDerWaalsContact CG-CE1 3.43Å; D194-H306 VanDerWaalsContact CG-ND1 3.35Å; D194-H306 IonicContact OD1-CE1 2.97Å; D194-H306 IonicContact OD1-ND1 3.45Å; D194-H306 PolarHBondContact OD1-ND1 3.5Å; D194-H306 IonicContact OD2-CE1 3.44Å; D194-H306 PolarHBondContact OD2-CE1 3.2Å; D194-H306 IonicContact OD2-ND1 2.87Å; D194-H306 PolarHBondContact OD2-ND1 2.84Å; D194-I307 WeakPolarHBondContact O-CG1 3.28Å; D194-I307 PolarHBondContact O-N 3.49Å
195N98.3Very high96.7Very high5 Ų515 Ų153%0.0278%0.082CC..EExtended strand (participates in β ladder)trans-93.3153.4171.9-62.5-180000110.2L77 E192 E193 V304 F305L77-N195 WeakPolarHBondContact CB-O 3.29Å; L77-N195 HydrophobicContact CD1-CB 4.47Å; L77-N195 WeakPolarHBondContact CD1-O 3.35Å; E192-N195 PolarHBondContact N-OD1 3.17Å; E192-N195 WeakPolarHBondContact O-CB 3.3Å; E192-N195 VanDerWaalsContact O-CG 3.3Å; E192-N195 PolarHBondContact O-N 3.34Å; E193-N195 VanDerWaalsContact C-N 3.28Å; N195-V304 HydrophobicContact CB-CG1 3.99Å; N195-F305 CarbonylContact C-O 3.45Å; N195-F305 WeakPolarHBondContact CA-O 3.33Å
196Y98.2Very high96.8Very high23 Ų2312.9 Ų12.99%0.097%0.07CC..EExtended strand (participates in β ladder)trans-125.9144168.3-166.5-79.5000107.4E76 V304 F305 I307 L323 V326 L330E76-Y196 HydrophobicContact CB-CD2 4.35Å; Y196-V304 WeakPolarHBondContact O-CA 2.86Å; Y196-F305 PolarHBondContact N-O 3.32Å; Y196-F305 WeakPolarHBondContact O-CD2 3.43Å; Y196-F305 PolarHBondContact O-N 3.33Å; Y196-I307 HydrophobicContact CD2-CD1 4.4Å; Y196-L323 HydrophobicContact CD2-CD1 3.77Å; Y196-L323 HydrophobicContact CE2-CD1 3.97Å; Y196-V326 HydrophobicContact CD1-CG1 3.75Å; Y196-V326 HydrophobicContact CE1-CG1 4.35Å; Y196-V326 HydrophobicContact CG-CG1 4.15Å; Y196-L330 HydrophobicContact CD1-CD1 4Å; Y196-L330 HydrophobicContact CE1-CD1 3.56Å
197V98.4Very high96.8Very high1 Ų114 Ų141%0.0067%0.07CC..EExtended strand (participates in β ladder)trans-119.2152.5-178.4-57.40000113.3L77 S80 L81 V84 L191 L201 R303 V304L77-V197 HydrophobicContact CD1-CG1 4.33Å; S80-V197 WeakPolarHBondContact OG-CG2 3.4Å; S80-V197 PolarHBondContact OG-N 2.94Å; S80-V197 VanDerWaalsContact OG-N 3.16Å; L81-V197 HydrophobicContact CD2-CG2 3.87Å; L81-V197 HydrophobicContact CG-CG2 4.1Å; V84-V197 HydrophobicContact CG2-CG2 3.6Å; L191-V197 HydrophobicContact CD1-CG1 4.05Å; L191-V197 HydrophobicContact CD2-CG1 4.4Å; V197-L201 HydrophobicContact CB-CD2 3.99Å; V197-L201 HydrophobicContact CG1-CD2 4.03Å; V197-L201 HydrophobicContact CG2-CD2 4.27Å; V197-R303 CarbonylContact C-O 3.59Å; V197-R303 VanDerWaalsContact CA-O 3.23Å; V197-R303 WeakPolarHBondContact CA-O 3.25Å; V197-V304 HydrophobicContact CG1-CG2 4.2Å
198S96.5Very high96.8Very high0 Ų013.4 Ų13.40%07%0.068CC..  trans-84.8153.1175.262.80000112.5D200 L201 R303S198-D200 WeakPolarHBondContact CB-OD1 3.37Å; S198-D200 PolarHBondContact O-N 3.13Å; S198-D200 VanDerWaalsContact O-N 3.13Å; S198-D200 PolarHBondContact OG-OD1 3.21Å; S198-L201 VanDerWaalsContact O-CB 3.31Å; S198-L201 WeakPolarHBondContact O-CB 3.46Å; S198-L201 PolarHBondContact O-N 2.97Å; S198-L201 VanDerWaalsContact O-N 3.1Å; S198-R303 PolarHBondContact N-O 2.89Å; S198-R303 VanDerWaalsContact OG-CA 3.31Å; S198-R303 WeakPolarHBondContact OG-CA 3.01Å; S198-R303 WeakPolarHBondContact OG-CB 3.45Å; S198-R303 VanDerWaalsContact OG-CG 3.26Å; S198-R303 WeakPolarHBondContact OG-CG 3.46Å
199P96.1Very high96.7Very high37 Ų3715.9 Ų15.924%0.248%0.08CC..THydrogen-bonded Turntrans-59.7-23.8178.6-26.636.1000115.3R85R85-P199 PolarHBondContact N-O 3.14Å
200D95.3Very high96.5Very high0 Ų019.8 Ų19.80%011%0.113CC..THydrogen-bonded Turntrans-892.3178.775.9-30.5000114.8S198 L202 N203 I204 R303 E337S198-D200 WeakPolarHBondContact CB-OD1 3.37Å; S198-D200 PolarHBondContact O-N 3.13Å; S198-D200 VanDerWaalsContact O-N 3.13Å; S198-D200 PolarHBondContact OG-OD1 3.21Å; D200-L202 PolarHBondContact O-N 3.41Å; D200-N203 WeakPolarHBondContact O-CB 3.42Å; D200-N203 PolarHBondContact O-N 3.01Å; D200-N203 VanDerWaalsContact O-N 3.11Å; D200-I204 HydrophobicContact CB-CG1 4.29Å; D200-I204 WeakPolarHBondContact O-CG1 3.36Å; D200-I204 PolarHBondContact O-N 3.17Å; D200-I204 VanDerWaalsContact OD2-CG1 3.3Å; D200-I204 WeakPolarHBondContact OD2-CG1 3.49Å; D200-R303 IonicContact OD1-NE 3.8Å; D200-R303 PolarHBondContact OD1-NE 2.78Å; D200-R303 IonicContact OD2-CZ 3.82Å; D200-R303 IonicContact OD2-NE 3.1Å; D200-R303 PolarHBondContact OD2-NE 3.28Å; D200-R303 IonicContact OD2-NH2 3.4Å; D200-R303 PolarHBondContact OD2-NH2 3.08Å; D200-E337 HydrophobicContact CB-CB 4.18Å; D200-E337 HydrophobicContact CB-CG 4.37Å
201L97.2Very high96.4Very high0 Ų022.3 Ų22.30%013%0.127CC..Hα-helixtrans-44.5-59.6-174177.172.9000113.6V84 L189 V197 S198 N203 I204 L205 L224 R303 V304V84-L201 HydrophobicContact CG1-CB 4.24Å; V84-L201 HydrophobicContact CG2-CB 4.37Å; V84-L201 HydrophobicContact CG2-CD2 4.49Å; L189-L201 HydrophobicContact CD2-CD1 4.37Å; L189-L201 HydrophobicContact CD2-CD2 3.97Å; L189-L201 HydrophobicContact CD2-CG 4.45Å; V197-L201 HydrophobicContact CB-CD2 3.99Å; V197-L201 HydrophobicContact CG1-CD2 4.03Å; V197-L201 HydrophobicContact CG2-CD2 4.27Å; S198-L201 VanDerWaalsContact O-CB 3.31Å; S198-L201 WeakPolarHBondContact O-CB 3.46Å; S198-L201 PolarHBondContact O-N 2.97Å; S198-L201 VanDerWaalsContact O-N 3.1Å; L201-N203 VanDerWaalsContact C-N 3.35Å; L201-N203 PolarHBondContact O-N 2.97Å; L201-I204 PolarHBondContact O-N 3.48Å; L201-L205 WeakPolarHBondContact O-CB 3.39Å; L201-L205 PolarHBondContact O-N 3.28Å; L201-L224 HydrophobicContact CD1-CB 4.3Å; L201-L224 HydrophobicContact CD1-CD1 3.55Å; L201-L224 HydrophobicContact CG-CD1 4.46Å; L201-R303 HydrophobicContact CD1-CB 3.7Å; L201-V304 HydrophobicContact CD1-CG2 3.8Å
202L96.3Very high96.3Very high1 Ų123.9 Ų23.91%0.00513%0.134CC..Hα-helixtrans-71-31.5-175.1-66.9179.3000112.6W61 I63 V84 I87 D200 L205 D206W61-L202 HydrophobicContact CB-CD2 4.15Å; W61-L202 HydrophobicContact CD2-CD1 4.06Å; W61-L202 HydrophobicContact CD2-CD2 3.81Å; W61-L202 HydrophobicContact CD2-CG 4.34Å; W61-L202 HydrophobicContact CE3-CD1 3.73Å; W61-L202 HydrophobicContact CE3-CD2 4.34Å; W61-L202 HydrophobicContact CE3-CG 4.47Å; W61-L202 HydrophobicContact CG-CD2 3.72Å; W61-L202 HydrophobicContact CH2-CB 4.14Å; W61-L202 HydrophobicContact CH2-CD1 4.25Å; W61-L202 HydrophobicContact CZ2-CB 3.91Å; W61-L202 HydrophobicContact CZ3-CD1 3.83Å; I63-L202 HydrophobicContact CD1-CD2 4.27Å; V84-L202 HydrophobicContact CG1-CB 4.21Å; V84-L202 HydrophobicContact CG1-CD1 3.77Å; V84-L202 HydrophobicContact CG1-CG 3.69Å; I87-L202 HydrophobicContact CD1-CD1 4.1Å; D200-L202 PolarHBondContact O-N 3.41Å; L202-L205 HydrophobicContact CD2-CD2 4.25Å; L202-L205 PolarHBondContact O-N 2.96Å; L202-D206 WeakPolarHBondContact O-CB 3.1Å; L202-D206 PolarHBondContact O-N 3.31Å
203N94.3Very high96.2Very high43 Ų4328.6 Ų28.623%0.2315%0.153CC..Hα-helixtrans-65.1-42.2177.1-174.4-94.8000111.6D200 L201 K207D200-N203 WeakPolarHBondContact O-CB 3.42Å; D200-N203 PolarHBondContact O-N 3.01Å; D200-N203 VanDerWaalsContact O-N 3.11Å; L201-N203 VanDerWaalsContact C-N 3.35Å; L201-N203 PolarHBondContact O-N 2.97Å; N203-K207 WeakPolarHBondContact O-CG 3.49Å; N203-K207 PolarHBondContact O-N 3.34Å; N203-K207 VanDerWaalsContact O-N 3.16Å; N203-K207 PolarHBondContact OD1-NZ 2.69Å
204I95.1Very high96.2Very high1 Ų133.3 Ų33.31%0.00519%0.186CC..Hα-helixtrans-71.4-40.7177.5-63.8-65.1000111D200 L201 D206 K207 I208 V299 R303 V339D200-I204 HydrophobicContact CB-CG1 4.29Å; D200-I204 WeakPolarHBondContact O-CG1 3.36Å; D200-I204 PolarHBondContact O-N 3.17Å; D200-I204 VanDerWaalsContact OD2-CG1 3.3Å; D200-I204 WeakPolarHBondContact OD2-CG1 3.49Å; L201-I204 PolarHBondContact O-N 3.48Å; I204-D206 VanDerWaalsContact C-N 3.34Å; I204-D206 PolarHBondContact O-N 2.84Å; I204-K207 PolarHBondContact O-N 3.38Å; I204-I208 HydrophobicContact CG2-CD1 3.76Å; I204-I208 HydrophobicContact CG2-CG1 4.39Å; I204-I208 VanDerWaalsContact O-CG1 3.3Å; I204-I208 WeakPolarHBondContact O-CG1 3.47Å; I204-I208 PolarHBondContact O-N 3.43Å; I204-V299 HydrophobicContact CG2-CG1 4.2Å; I204-R303 HydrophobicContact CB-CG 4.44Å; I204-R303 VanDerWaalsContact CD1-NH2 3.27Å; I204-R303 HydrophobicContact CG1-CG 4.46Å; I204-V339 HydrophobicContact CD1-CB 3.68Å; I204-V339 HydrophobicContact CD1-CG1 4.15Å; I204-V339 HydrophobicContact CD1-CG2 3.55Å
205L96.2Very high96.2Very high1 Ų134 Ų341%0.00519%0.19CC..Hα-helixtrans-55.9-49.2174179.955.4000111.1L201 L202 K207 I208 I209 L222 L224L201-L205 WeakPolarHBondContact O-CB 3.39Å; L201-L205 PolarHBondContact O-N 3.28Å; L202-L205 HydrophobicContact CD2-CD2 4.25Å; L202-L205 PolarHBondContact O-N 2.96Å; L205-K207 PolarHBondContact O-N 3.03Å; L205-I208 PolarHBondContact O-N 3.43Å; L205-I209 HydrophobicContact CD1-CD1 3.75Å; L205-I209 HydrophobicContact CD1-CG1 4.15Å; L205-I209 HydrophobicContact CG-CD1 3.77Å; L205-I209 VanDerWaalsContact O-CG1 3.23Å; L205-I209 WeakPolarHBondContact O-CG1 3.43Å; L205-I209 PolarHBondContact O-N 3.39Å; L205-L222 HydrophobicContact CD1-CD1 3.54Å; L205-L224 HydrophobicContact CB-CD1 4.23Å; L205-L224 HydrophobicContact CD1-CD1 4.24Å; L205-L224 HydrophobicContact CD2-CD1 4.44Å
206D95.2Very high96.1Very high47 Ų4734.5 Ų34.525%0.25119%0.194SC..Hα-helixtrans-57.4-45.7176.3-89.83000112.7K60 W61 L202 I204 I208 I209 A210K60-D206 VanDerWaalsContact CE-OD2 3.22Å; K60-D206 WeakPolarHBondContact CE-OD2 3.45Å; K60-D206 IonicContact NZ-OD1 3.45Å; K60-D206 IonicContact NZ-OD2 3.22Å; K60-D206 PolarHBondContact NZ-OD2 2.84Å; W61-D206 VanDerWaalsContact CZ2-CG 3.46Å; W61-D206 WeakPolarHBondContact CZ2-OD1 2.96Å; W61-D206 VanDerWaalsContact CZ2-OD2 3.26Å; W61-D206 WeakPolarHBondContact CZ2-OD2 3.36Å; W61-D206 PolarHBondContact NE1-OD1 3.41Å; L202-D206 WeakPolarHBondContact O-CB 3.1Å; L202-D206 PolarHBondContact O-N 3.31Å; I204-D206 VanDerWaalsContact C-N 3.34Å; I204-D206 PolarHBondContact O-N 2.84Å; D206-I208 VanDerWaalsContact C-N 3.33Å; D206-I208 PolarHBondContact O-N 3.19Å; D206-I209 PolarHBondContact O-N 3.22Å; D206-A210 WeakPolarHBondContact O-CB 3.24Å; D206-A210 PolarHBondContact O-N 2.93Å
207K95.5Very high95.9Very high43 Ų4339.5 Ų39.519%0.18722%0.218CC..Hα-helixtrans-63.2-40.4179.4-75.7-169.2172.6100.10112.4N203 I204 L205 N211 V339 S340 I342N203-K207 WeakPolarHBondContact O-CG 3.49Å; N203-K207 PolarHBondContact O-N 3.34Å; N203-K207 VanDerWaalsContact O-N 3.16Å; N203-K207 PolarHBondContact OD1-NZ 2.69Å; I204-K207 PolarHBondContact O-N 3.38Å; L205-K207 PolarHBondContact O-N 3.03Å; K207-N211 WeakPolarHBondContact O-CB 2.97Å; K207-N211 PolarHBondContact O-N 3.48Å; K207-N211 VanDerWaalsContact O-N 3.14Å; K207-N211 PolarHBondContact O-ND2 2.75Å; K207-V339 HydrophobicContact CD-CB 4.46Å; K207-V339 HydrophobicContact CD-CG1 4.09Å; K207-V339 WeakPolarHBondContact CE-O 3.42Å; K207-V339 PolarHBondContact NZ-O 2.84Å; K207-S340 WeakPolarHBondContact CE-O 3.31Å; K207-I342 HydrophobicContact CB-CD1 4.01Å; K207-I342 HydrophobicContact CB-CG1 3.79Å
208I96.7Very high95.8Very high0 Ų042.7 Ų42.70%024%0.244CC..Hα-helixtrans-65.9-43.9176.5-66.9166.8000110.2I204 L205 D206 N211 K212 L222 L224 V239 I297 V299 I342I204-I208 HydrophobicContact CG2-CD1 3.76Å; I204-I208 HydrophobicContact CG2-CG1 4.39Å; I204-I208 VanDerWaalsContact O-CG1 3.3Å; I204-I208 WeakPolarHBondContact O-CG1 3.47Å; I204-I208 PolarHBondContact O-N 3.43Å; L205-I208 PolarHBondContact O-N 3.43Å; D206-I208 VanDerWaalsContact C-N 3.33Å; D206-I208 PolarHBondContact O-N 3.19Å; I208-N211 CarbonylContact O-C 3.5Å; I208-N211 PolarHBondContact O-N 3.04Å; I208-K212 WeakPolarHBondContact O-CA 3.39Å; I208-K212 PolarHBondContact O-N 3.45Å; I208-L222 HydrophobicContact CG2-CD1 4.15Å; I208-L222 HydrophobicContact CG2-CD2 3.65Å; I208-L222 HydrophobicContact CG2-CG 4.45Å; I208-L224 HydrophobicContact CD1-CD2 4.09Å; I208-V239 HydrophobicContact CD1-CG1 4.1Å; I208-V239 HydrophobicContact CG1-CG1 4.16Å; I208-I297 HydrophobicContact CG2-CB 4.34Å; I208-I297 HydrophobicContact CG2-CD1 4.08Å; I208-I297 HydrophobicContact CG2-CG2 3.88Å; I208-V299 HydrophobicContact CD1-CG1 3.59Å; I208-I342 HydrophobicContact CG1-CD1 4.25Å; I208-I342 HydrophobicContact CG1-CG1 4.46Å
209I95.8Very high95.8Very high53 Ų5342.7 Ų42.727%0.27224%0.244SC..Hα-helixtrans-61.4-48.4178.7-68.2166.5000110.7W187 L205 D206 N211 K212 L222W187-I209 HydrophobicContact CB-CD1 4.17Å; W187-I209 HydrophobicContact CG-CD1 3.86Å; W187-I209 HydrophobicContact CG-CG1 4.11Å; L205-I209 HydrophobicContact CD1-CD1 3.75Å; L205-I209 HydrophobicContact CD1-CG1 4.15Å; L205-I209 HydrophobicContact CG-CD1 3.77Å; L205-I209 VanDerWaalsContact O-CG1 3.23Å; L205-I209 WeakPolarHBondContact O-CG1 3.43Å; L205-I209 PolarHBondContact O-N 3.39Å; D206-I209 PolarHBondContact O-N 3.22Å; I209-N211 PolarHBondContact O-N 3.44Å; I209-K212 WeakPolarHBondContact O-CB 3.27Å; I209-K212 PolarHBondContact O-N 3.35Å; I209-K212 VanDerWaalsContact O-N 3.13Å; I209-L222 HydrophobicContact CG1-CD1 3.85Å
210A95.3Very high95.8Very high85 Ų8543.4 Ų43.470%0.70225%0.245SC*.Hα-helixtrans-60.8-32.7179.500000112.8D206D206-A210 WeakPolarHBondContact O-CB 3.24Å; D206-A210 PolarHBondContact O-N 2.93Å
211N96.2Very high95.9Very high64 Ų6443.4 Ų43.434%0.34225%0.245SC..THydrogen-bonded Turntrans-100.17.2179.2-67.6-84.8000113.1K207 I208 I209 K213 S214 I215K207-N211 WeakPolarHBondContact O-CB 2.97Å; K207-N211 PolarHBondContact O-N 3.48Å; K207-N211 VanDerWaalsContact O-N 3.14Å; K207-N211 PolarHBondContact O-ND2 2.75Å; I208-N211 CarbonylContact O-C 3.5Å; I208-N211 PolarHBondContact O-N 3.04Å; I209-N211 PolarHBondContact O-N 3.44Å; N211-K213 VanDerWaalsContact C-N 3.27Å; N211-K213 PolarHBondContact O-N 3.31Å; N211-S214 PolarHBondContact O-N 3.15Å; N211-S214 PolarHBondContact O-OG 3.28Å; N211-I215 HydrophobicContact CB-CD1 3.61Å; N211-I215 HydrophobicContact CB-CG1 4.11Å; N211-I215 WeakPolarHBondContact O-CB 3.14Å; N211-I215 WeakPolarHBondContact O-CD1 3.27Å; N211-I215 VanDerWaalsContact O-CG1 3.22Å; N211-I215 WeakPolarHBondContact O-CG1 3.18Å; N211-I215 PolarHBondContact O-N 3.32Å
212K96Very high96Very high36 Ų3643.4 Ų43.416%0.15725%0.245CC..Hα-helixtrans-57.9-41.8-172.4-179.9-169.1-178.7-59.60111.8W187 I208 I209 S214 I215 C216 E217 C219 I297W187-K212 HydrophobicContact CH2-CD 4.28Å; W187-K212 HydrophobicContact CZ2-CD 3.58Å; W187-K212 VanDerWaalsContact CZ2-CE 3.44Å; I208-K212 WeakPolarHBondContact O-CA 3.39Å; I208-K212 PolarHBondContact O-N 3.45Å; I209-K212 WeakPolarHBondContact O-CB 3.27Å; I209-K212 PolarHBondContact O-N 3.35Å; I209-K212 VanDerWaalsContact O-N 3.13Å; K212-S214 VanDerWaalsContact C-N 3.35Å; K212-S214 PolarHBondContact O-N 2.71Å; K212-I215 PolarHBondContact O-N 3.36Å; K212-C216 PolarHBondContact NZ-O 3.33Å; K212-C216 VanDerWaalsContact NZ-O 3.12Å; K212-C216 CarbonylContact O-C 3.55Å; K212-C216 WeakPolarHBondContact O-CA 3.06Å; K212-C216 PolarHBondContact O-N 3.08Å; K212-E217 PolarHBondContact NZ-O 3.35Å; K212-E217 PolarHBondContact O-N 3.21Å; K212-C219 WeakPolarHBondContact CE-O 3.33Å; K212-C219 PolarHBondContact NZ-O 2.95Å; K212-I297 HydrophobicContact CG-CD1 4.06Å
213K95.7Very high96.1Very high154 Ų15443.4 Ų43.467%0.6724%0.244SC*.Hα-helixtrans-62.1-42.6-177.3-169176.1-176.6177.30111.9N211 E217N211-K213 VanDerWaalsContact C-N 3.27Å; N211-K213 PolarHBondContact O-N 3.31Å; K213-E217 WeakPolarHBondContact CE-OE1 3.32Å; K213-E217 HydrophobicContact CG-CB 4.39Å; K213-E217 HydrophobicContact CG-CG 4.38Å
214S95.8Very high96.3Very high99 Ų9941.4 Ų41.469%0.69223%0.234SC*.Hα-helixtrans-75.3-33.4177.756.10000112.8N211 K212N211-S214 PolarHBondContact O-N 3.15Å; N211-S214 PolarHBondContact O-OG 3.28Å; K212-S214 VanDerWaalsContact C-N 3.35Å; K212-S214 PolarHBondContact O-N 2.71Å
215I95.7Very high96.3Very high21 Ų2141.3 Ų41.311%0.10823%0.233CC..Hα-helixtrans-73-55.7177.3-64.6163.9000111N211 K212 V239 V241 I297 I342 V344N211-I215 HydrophobicContact CB-CD1 3.61Å; N211-I215 HydrophobicContact CB-CG1 4.11Å; N211-I215 WeakPolarHBondContact O-CB 3.14Å; N211-I215 WeakPolarHBondContact O-CD1 3.27Å; N211-I215 VanDerWaalsContact O-CG1 3.22Å; N211-I215 WeakPolarHBondContact O-CG1 3.18Å; N211-I215 PolarHBondContact O-N 3.32Å; K212-I215 PolarHBondContact O-N 3.36Å; I215-V239 HydrophobicContact CD1-CG2 4.32Å; I215-V239 HydrophobicContact CG2-CG2 4.16Å; I215-V241 HydrophobicContact CG2-CG2 3.83Å; I215-I297 HydrophobicContact CB-CD1 4.11Å; I215-I297 HydrophobicContact CG2-CD1 3.66Å; I215-I297 HydrophobicContact CG2-CG1 3.93Å; I215-I297 HydrophobicContact CG2-CG2 4.12Å; I215-I342 HydrophobicContact CD1-CB 4.31Å; I215-I342 HydrophobicContact CD1-CG2 3.68Å; I215-V344 HydrophobicContact CB-CG2 4.12Å; I215-V344 HydrophobicContact CG1-CG2 3.8Å; I215-V344 HydrophobicContact CG2-CG2 3.82Å
216C95.6Very high96.2Very high15 Ų1541.9 Ų41.910%0.10124%0.236CC..Hα-helixtrans-168.692.4-175.7-1770000111.6K212 A218 C219 V241 I297K212-C216 PolarHBondContact NZ-O 3.33Å; K212-C216 VanDerWaalsContact NZ-O 3.12Å; K212-C216 CarbonylContact O-C 3.55Å; K212-C216 WeakPolarHBondContact O-CA 3.06Å; K212-C216 PolarHBondContact O-N 3.08Å; C216-A218 PolarHBondContact O-N 2.88Å; C216-C219 HydrophobicContact CB-CB 3.7Å; C216-C219 WeakPolarHBondContact CB-SG 3.27Å; C216-C219 PolarHBondContact O-N 3.2Å; C216-C219 VanDerWaalsContact SG-CA 3.58Å; C216-C219 WeakPolarHBondContact SG-CB 3.4Å; C216-C219 PolarHBondContact SG-N 2.82Å; C216-C219 CovalentContact SG-SG 2.04Å; C216-C219 PolarHBondContact SG-SG 3.04Å; C216-V241 HydrophobicContact CB-CG1 4.17Å; C216-V241 HydrophobicContact CB-CG2 3.88Å; C216-I297 HydrophobicContact CB-CD1 4.24Å; C216-I297 HydrophobicContact CB-CG1 4.14Å
217E95.4Very high96.1Very high128 Ų12845 Ų4560%0.59825%0.245SC*.THydrogen-bonded Turntrans-59.6-35.1175.9-173.7164.1-152.700112.7K212 K213 C219K212-E217 PolarHBondContact NZ-O 3.35Å; K212-E217 PolarHBondContact O-N 3.21Å; K213-E217 WeakPolarHBondContact CE-OE1 3.32Å; K213-E217 HydrophobicContact CG-CB 4.39Å; K213-E217 HydrophobicContact CG-CG 4.38Å; E217-C219 PolarHBondContact O-N 3.39Å
218A94.9Very high95.7Very high68 Ų6846.7 Ų46.756%0.56225%0.253SS*.THydrogen-bonded Turntrans-86.26.2-179.400000115.2C216C216-A218 PolarHBondContact O-N 2.88Å
219C96.9Very high95.2Very high0 Ų051.3 Ų51.30%028%0.281CS..  trans-83.1129.2177.8-74.70000110.6K212 C216 E217 K295 I297K212-C219 WeakPolarHBondContact CE-O 3.33Å; K212-C219 PolarHBondContact NZ-O 2.95Å; C216-C219 HydrophobicContact CB-CB 3.7Å; C216-C219 WeakPolarHBondContact CB-SG 3.27Å; C216-C219 PolarHBondContact O-N 3.2Å; C216-C219 VanDerWaalsContact SG-CA 3.58Å; C216-C219 WeakPolarHBondContact SG-CB 3.4Å; C216-C219 PolarHBondContact SG-N 2.82Å; C216-C219 CovalentContact SG-SG 2.04Å; C216-C219 PolarHBondContact SG-SG 3.04Å; E217-C219 PolarHBondContact O-N 3.39Å; C219-K295 HydrophobicContact CB-CB 4.37Å; C219-K295 VanDerWaalsContact SG-CB 3.56Å; C219-I297 HydrophobicContact CB-CD1 4.37Å; C219-I297 HydrophobicContact CB-CG1 3.91Å
220E96.8Very high94.7Very high53 Ų5350.8 Ų50.825%0.24828%0.278CS..  trans-98.2-23.6-176.5-64.2-54.3142.200112.4W187 L259 K295W187-E220 VanDerWaalsContact CZ3-O 3.27Å; W187-E220 WeakPolarHBondContact CZ3-O 3.49Å; E220-L259 HydrophobicContact CB-CD1 3.94Å; E220-L259 HydrophobicContact CB-CD2 3.79Å; E220-L259 HydrophobicContact CB-CG 4.32Å; E220-L259 HydrophobicContact CG-CD1 4.19Å; E220-K295 PolarHBondContact N-O 2.84Å
221F98.1Very high94Very high0 Ų051.9 Ų51.90%028%0.276CS..EExtended strand (participates in β ladder)trans-113.6145.6179.7-65.7-69.2000112W244 L253 A254 F255 L259 W294 K295 A296 I297F221-W244 HydrophobicContact CD2-CB 3.7Å; F221-W244 AromaticContact CD2-CD1 3.58Å; F221-W244 HydrophobicContact CD2-CD2 4.02Å; F221-W244 AromaticContact CD2-CG 3.46Å; F221-W244 HydrophobicContact CD2-CG 3.46Å; F221-W244 VanDerWaalsContact CD2-CG 3.46Å; F221-W244 HydrophobicContact CE2-CB 4.1Å; F221-W244 AromaticContact CE2-CD2 3.75Å; F221-W244 HydrophobicContact CE2-CD2 3.75Å; F221-W244 HydrophobicContact CE2-CE3 4.16Å; F221-W244 AromaticContact CE2-CG 3.7Å; F221-W244 HydrophobicContact CE2-CG 3.7Å; F221-W244 AromaticContact CG-CD1 3.85Å; F221-W244 HydrophobicContact CG-CG 4.2Å; F221-W244 HydrophobicContact CZ-CD2 4.34Å; F221-L253 HydrophobicContact CB-CD1 3.88Å; F221-L253 HydrophobicContact CD1-CD1 3.35Å; F221-L253 HydrophobicContact CD1-CD2 4.14Å; F221-L253 HydrophobicContact CD1-CG 3.89Å; F221-L253 HydrophobicContact CE1-CD1 4Å; F221-L253 HydrophobicContact CE1-CD2 3.95Å; F221-L253 HydrophobicContact CE1-CG 4.22Å; F221-L253 HydrophobicContact CG-CD1 3.78Å; F221-A254 WeakPolarHBondContact CA-O 3.3Å; F221-F255 HydrophobicContact CD1-CB 3.93Å; F221-F255 HydrophobicContact CD1-CD1 4.2Å; F221-F255 HydrophobicContact CD1-CG 4.4Å; F221-F255 HydrophobicContact CE1-CB 4.14Å; F221-F255 AromaticContact CE1-CD1 3.93Å; F221-F255 HydrophobicContact CE1-CD1 3.93Å; F221-F255 HydrophobicContact CE1-CG 4.19Å; F221-L259 HydrophobicContact CD1-CD2 3.66Å; F221-L259 HydrophobicContact CD2-CD2 4.34Å; F221-L259 HydrophobicContact CE1-CD2 3.23Å; F221-L259 HydrophobicContact CE2-CD2 3.97Å; F221-L259 HydrophobicContact CG-CD2 4.21Å; F221-L259 HydrophobicContact CZ-CD2 3.42Å; F221-L259 VanDerWaalsContact CZ-CD2 3.42Å; F221-L259 HydrophobicContact CZ-CG 4.5Å; F221-W294 HydrophobicContact CD2-CB 3.96Å; F221-W294 HydrophobicContact CE2-CB 3.66Å; F221-W294 AromaticContact CE2-CD2 3.84Å; F221-W294 HydrophobicContact CE2-CD2 3.84Å; F221-W294 AromaticContact CE2-CE3 3.64Å; F221-W294 HydrophobicContact CE2-CE3 3.64Å; F221-W294 AromaticContact CE2-CG 3.89Å; F221-W294 HydrophobicContact CE2-CG 3.89Å; F221-W294 HydrophobicContact CZ-CD2 4.33Å; F221-W294 AromaticContact CZ-CE3 3.94Å; F221-W294 HydrophobicContact CZ-CE3 3.94Å; F221-W294 HydrophobicContact CZ-CZ3 4.43Å; F221-K295 PolarHBondContact N-O 2.89Å; F221-A296 HydrophobicContact CB-CB 3.86Å; F221-A296 CarbonylContact O-C 3.47Å; F221-A296 VanDerWaalsContact O-CA 3.24Å; F221-A296 WeakPolarHBondContact O-CA 3.48Å; F221-I297 PolarHBondContact O-N 3.02Å
222L98.2Very high93.1Very high0 Ų054.7 Ų54.70%029%0.287CS..EExtended strand (participates in β ladder)trans-109.7139.6157.6-50.6178.7000107.9W187 L205 I208 I209 L253 A254 I297W187-L222 HydrophobicContact CD2-CD1 3.64Å; W187-L222 HydrophobicContact CD2-CG 4.05Å; W187-L222 HydrophobicContact CE3-CB 4.41Å; W187-L222 HydrophobicContact CE3-CD1 3.69Å; W187-L222 HydrophobicContact CE3-CG 3.6Å; W187-L222 HydrophobicContact CG-CD1 4.14Å; W187-L222 HydrophobicContact CH2-CD1 4.4Å; W187-L222 HydrophobicContact CH2-CD2 4.16Å; W187-L222 HydrophobicContact CH2-CG 3.91Å; W187-L222 HydrophobicContact CZ2-CD1 4.36Å; W187-L222 HydrophobicContact CZ2-CG 4.33Å; W187-L222 HydrophobicContact CZ3-CB 4.42Å; W187-L222 HydrophobicContact CZ3-CD1 4.08Å; W187-L222 HydrophobicContact CZ3-CD2 4.24Å; W187-L222 HydrophobicContact CZ3-CG 3.53Å; L205-L222 HydrophobicContact CD1-CD1 3.54Å; I208-L222 HydrophobicContact CG2-CD1 4.15Å; I208-L222 HydrophobicContact CG2-CD2 3.65Å; I208-L222 HydrophobicContact CG2-CG 4.45Å; I209-L222 HydrophobicContact CG1-CD1 3.85Å; L222-L253 CarbonylContact O-C 3.59Å; L222-A254 HydrophobicContact CB-CB 4.29Å; L222-A254 PolarHBondContact N-O 2.8Å; L222-A254 PolarHBondContact O-N 3.06Å; L222-I297 HydrophobicContact CD2-CB 3.83Å; L222-I297 HydrophobicContact CD2-CD1 3.85Å; L222-I297 HydrophobicContact CD2-CG1 4.14Å
223V98.1Very high92.4Very high0 Ų059 Ų590%031%0.306CS..EExtended strand (participates in β ladder)trans-129109.4-177.5-176.30000107.8G225 H249 L251 L253 A296 I297 L298 V299V223-G225 WeakPolarHBondContact CG1-O 3.42Å; V223-H249 HydrophobicContact CG1-CB 4.3Å; V223-H249 HydrophobicContact CG2-CB 3.97Å; V223-L251 WeakPolarHBondContact CG1-O 3.4Å; V223-L253 HydrophobicContact CG2-CD1 3.97Å; V223-A296 HydrophobicContact CG2-CB 3.73Å; V223-I297 PolarHBondContact N-O 3.45Å; V223-L298 HydrophobicContact CB-CD1 3.77Å; V223-L298 HydrophobicContact CG1-CD1 3.54Å; V223-V299 PolarHBondContact O-N 3.09Å; V223-V299 VanDerWaalsContact O-N 3.07Å
224L98Very high91.9Very high1 Ų152.5 Ų52.51%0.00528%0.279CS..  trans-95.2-2.9-173.5-59.9-175.8000113.3L189 L201 L205 I208 G252 V299 R303 V304L189-L224 HydrophobicContact CD1-CD1 4.02Å; L189-L224 HydrophobicContact CD2-CD1 4.28Å; L201-L224 HydrophobicContact CD1-CB 4.3Å; L201-L224 HydrophobicContact CD1-CD1 3.55Å; L201-L224 HydrophobicContact CG-CD1 4.46Å; L205-L224 HydrophobicContact CB-CD1 4.23Å; L205-L224 HydrophobicContact CD1-CD1 4.24Å; L205-L224 HydrophobicContact CD2-CD1 4.44Å; I208-L224 HydrophobicContact CD1-CD2 4.09Å; L224-G252 PolarHBondContact N-O 3.49Å; L224-V299 VanDerWaalsContact C-CG2 3.48Å; L224-V299 HydrophobicContact CD2-CG1 3.89Å; L224-V299 VanDerWaalsContact O-CG2 3.31Å; L224-V299 WeakPolarHBondContact O-CG2 3.12Å; L224-R303 HydrophobicContact CB-CB 4.43Å; L224-R303 WeakPolarHBondContact O-CA 3.24Å; L224-R303 PolarHBondContact O-N 3.3Å; L224-V304 HydrophobicContact CB-CG2 3.88Å; L224-V304 PolarHBondContact O-N 2.84Å
225G96.7Very high91.6Very high0 Ų049.5 Ų49.50%026%0.258CS..BIsolated β-bridgetrans-124.8162.6174.300000112.6V223 L251 V304V223-G225 WeakPolarHBondContact CG1-O 3.42Å; G225-L251 WeakPolarHBondContact CA-O 3.42Å; G225-L251 PolarHBondContact N-O 3.36Å; G225-V304 WeakPolarHBondContact CA-O 3.47Å
226N94.5Very high91.3Very high13 Ų1349.3 Ų49.37%0.0726%0.258CS..  trans-155.2167.9169.862.462.6000109.9K228 L298 V299 K300N226-K228 VanDerWaalsContact OD1-CB 3.23Å; N226-K228 WeakPolarHBondContact OD1-CB 3.25Å; N226-K228 WeakPolarHBondContact OD1-CG 3.21Å; N226-K228 PolarHBondContact OD1-N 3.08Å; N226-K228 VanDerWaalsContact OD1-N 3.12Å; N226-L298 HydrophobicContact CB-CD1 4.31Å; N226-V299 PolarHBondContact ND2-O 3.27Å; N226-K300 PolarHBondContact ND2-O 2.96Å
227Y91.6Very high91.1Very high112 Ų11249.5 Ų49.544%0.43926%0.261SS..  trans-97.822.1-177.4-58-78.8000113.1N250 L251Y227-N250 WeakPolarHBondContact CE2-OD1 3.46Å; Y227-N250 PolarHBondContact OH-OD1 3.38Å; Y227-L251 HydrophobicContact CE1-CD2 4.4Å
228K88.6Confident91Very high78 Ų7846.1 Ų46.134%0.33925%0.245SC..  trans-67.7151.6177.6-65.5-179.7178177.40110.3N226 L230 L234 E240N226-K228 VanDerWaalsContact OD1-CB 3.23Å; N226-K228 WeakPolarHBondContact OD1-CB 3.25Å; N226-K228 WeakPolarHBondContact OD1-CG 3.21Å; N226-K228 PolarHBondContact OD1-N 3.08Å; N226-K228 VanDerWaalsContact OD1-N 3.12Å; K228-L230 PolarHBondContact O-N 3.41Å; K228-L234 HydrophobicContact CB-CD1 4.38Å; K228-L234 HydrophobicContact CD-CD1 4.48Å; K228-L234 HydrophobicContact CD-CD2 4.49Å; K228-E240 IonicContact NZ-OE1 3.32Å; K228-E240 PolarHBondContact NZ-OE1 3.48Å
229V85Confident91.1Very high98 Ų9843 Ų4359%0.59422%0.219SC*.  trans-69.6126.1-179.7-172.60000109.8T231V229-T231 HydrophobicContact CG1-CG2 4.03Å; V229-T231 VanDerWaalsContact CG1-OG1 3.31Å; V229-T231 WeakPolarHBondContact CG1-OG1 3.46Å; V229-T231 PolarHBondContact O-N 3.32Å
230L86.2Confident91Very high42 Ų4244.3 Ų44.322%0.2223%0.225CC..THydrogen-bonded Turntrans-76.523.3-176.6-57.6-179.4000114.3K228 P302 F305 V326 Y329K228-L230 PolarHBondContact O-N 3.41Å; L230-P302 HydrophobicContact CD2-CG 3.96Å; L230-F305 HydrophobicContact CD1-CD1 3.86Å; L230-F305 HydrophobicContact CD1-CE1 4.11Å; L230-F305 HydrophobicContact CD2-CD1 4.06Å; L230-F305 HydrophobicContact CD2-CE1 3.79Å; L230-V326 HydrophobicContact CD1-CG2 3.71Å; L230-Y329 HydrophobicContact CB-CD2 3.89Å; L230-Y329 HydrophobicContact CB-CE2 4.46Å; L230-Y329 HydrophobicContact CB-CG 3.95Å; L230-Y329 HydrophobicContact CD1-CG 4.48Å; L230-Y329 HydrophobicContact CD2-CD1 4.12Å; L230-Y329 HydrophobicContact CD2-CE1 4.16Å; L230-Y329 HydrophobicContact CD2-CG 4.29Å; L230-Y329 HydrophobicContact CG-CG 4.47Å; L230-Y329 WeakPolarHBondContact O-CD2 3.23Å
231T79.7Confident90.9Very high107 Ų10743.8 Ų43.866%0.65623%0.225SC*.THydrogen-bonded Turntrans-94.2-22.9175.950.10000112.4V229V229-T231 HydrophobicContact CG1-CG2 4.03Å; V229-T231 VanDerWaalsContact CG1-OG1 3.31Å; V229-T231 WeakPolarHBondContact CG1-OG1 3.46Å; V229-T231 PolarHBondContact O-N 3.32Å
232E78.3Confident90.8Very high123 Ų12344.8 Ų44.858%0.57523%0.231SC*.SBendtrans-89.9144.6-176.8-64.9175.4-168.600111.7L234E232-L234 HydrophobicContact CB-CD2 4.5Å; E232-L234 PolarHBondContact O-N 2.99Å
233F80.5Confident90.6Very high126 Ų12647 Ų4755%0.55324%0.242SC*.  trans-71.9114.9167.6-179.8-95.5000108.9H336F233-H336 HydrophobicContact CE2-CB 4.28Å; F233-H336 AromaticContact CE2-CD2 3.74Å; F233-H336 AromaticContact CE2-CE1 3.93Å; F233-H336 AromaticContact CE2-CG 3.72Å; F233-H336 AromaticContact CE2-ND1 3.85Å; F233-H336 AromaticContact CE2-NE2 3.87Å; F233-H336 HydrophobicContact CZ-CB 4.41Å; F233-H336 AromaticContact CZ-CD2 3.58Å; F233-H336 AromaticContact CZ-CG 3.93Å; F233-H336 AromaticContact CZ-NE2 3.92Å
234L86.3Confident90.4Very high18 Ų1847 Ų479%0.09424%0.242CC..  trans-103.6131.9178.2-61.4172.9000108.8K228 E232 P236 K300 K301K228-L234 HydrophobicContact CB-CD1 4.38Å; K228-L234 HydrophobicContact CD-CD1 4.48Å; K228-L234 HydrophobicContact CD-CD2 4.49Å; E232-L234 HydrophobicContact CB-CD2 4.5Å; E232-L234 PolarHBondContact O-N 2.99Å; L234-P236 WeakPolarHBondContact O-CD 3.5Å; L234-K300 WeakPolarHBondContact CD1-O 3.16Å; L234-K301 HydrophobicContact CB-CB 4Å; L234-K301 HydrophobicContact CB-CG 4.49Å
235S88.5Confident90.2Very high36 Ų3647.6 Ų47.625%0.25224%0.244SC..  trans-60.4123.4179.9-178.40000110.5A237 Q238S235-A237 VanDerWaalsContact C-N 3.27Å; S235-A237 PolarHBondContact O-N 3.09Å; S235-Q238 PolarHBondContact O-N 3.29Å; S235-Q238 WeakPolarHBondContact OG-CG 3.36Å
236P88.8Confident89.9Confident17 Ų1747.6 Ų47.611%0.1124%0.244CC..THydrogen-bonded Turntrans-69.3-26.6-177.330.6-38.4000112.4L234 K301 R303 H336 V339L234-P236 WeakPolarHBondContact O-CD 3.5Å; P236-K301 HydrophobicContact CB-CD 3.83Å; P236-R303 PolarHBondContact O-NH1 3.45Å; P236-R303 PolarHBondContact O-NH2 2.77Å; P236-H336 VanDerWaalsContact CB-O 3.3Å; P236-H336 WeakPolarHBondContact CB-O 3.26Å; P236-H336 HydrophobicContact CG-CB 4.26Å; P236-H336 WeakPolarHBondContact CG-O 3.45Å; P236-V339 HydrophobicContact CB-CG2 3.62Å; P236-V339 HydrophobicContact CG-CG2 4.04Å
237A91.4Very high89.6Confident19 Ų1949.2 Ų49.216%0.15726%0.257CS..THydrogen-bonded Turntrans-87.8-13.8-175.900000114S235 V339 T341 I342 V343S235-A237 VanDerWaalsContact C-N 3.27Å; S235-A237 PolarHBondContact O-N 3.09Å; A237-V339 HydrophobicContact CB-CG1 3.8Å; A237-V339 HydrophobicContact CB-CG2 4.35Å; A237-T341 WeakPolarHBondContact CB-O 3.24Å; A237-I342 WeakPolarHBondContact O-CA 3.41Å; A237-V343 PolarHBondContact O-N 3.32Å
238Q94.3Very high89.6Confident58 Ų5847.6 Ų47.627%0.27125%0.253SS..EExtended strand (participates in β ladder)trans-87.8136.5-171.3-74.4-179.9-12.200113.1S235 K300 V343S235-Q238 PolarHBondContact O-N 3.29Å; S235-Q238 WeakPolarHBondContact OG-CG 3.36Å; Q238-K300 HydrophobicContact CB-CB 4.12Å; Q238-K300 HydrophobicContact CB-CD 3.76Å; Q238-K300 HydrophobicContact CB-CG 4.18Å; Q238-K300 PolarHBondContact O-N 3.27Å; Q238-K300 VanDerWaalsContact OE1-CD 3.25Å; Q238-V343 VanDerWaalsContact CA-O 3.29Å; Q238-V343 WeakPolarHBondContact CA-O 3.47Å; Q238-V343 HydrophobicContact CG-CB 4.31Å
239V96.2Very high89.9Confident2 Ų244.8 Ų44.81%0.01224%0.241CC..EExtended strand (participates in β ladder)trans-124.2158170.4-60.40000110.9I208 I215 I297 L298 V299 I342 V343 V344 S345I208-V239 HydrophobicContact CD1-CG1 4.1Å; I208-V239 HydrophobicContact CG1-CG1 4.16Å; I215-V239 HydrophobicContact CD1-CG2 4.32Å; I215-V239 HydrophobicContact CG2-CG2 4.16Å; V239-I297 HydrophobicContact CB-CG2 3.78Å; V239-I297 HydrophobicContact CG1-CG2 4.09Å; V239-I297 HydrophobicContact CG2-CG2 3.99Å; V239-L298 CarbonylContact C-O 3.54Å; V239-L298 WeakPolarHBondContact CA-O 3.33Å; V239-V299 HydrophobicContact CG1-CG1 4.37Å; V239-I342 HydrophobicContact CB-CG2 4.23Å; V239-I342 HydrophobicContact CG1-CG2 3.72Å; V239-I342 HydrophobicContact CG2-CG2 3.49Å; V239-I342 VanDerWaalsContact CG2-CG2 3.49Å; V239-V343 PolarHBondContact N-O 2.87Å; V239-V344 HydrophobicContact CG2-CG2 4.17Å; V239-S345 PolarHBondContact O-N 3.16Å
240E95.5Very high90.2Very high27 Ų2742 Ų4213%0.12622%0.223CC..EExtended strand (participates in β ladder)trans-120.2144.1175.3-67.5172.9-164.700108.9K228 V242 I297 L298 K300 T347K228-E240 IonicContact NZ-OE1 3.32Å; K228-E240 PolarHBondContact NZ-OE1 3.48Å; E240-V242 HydrophobicContact CB-CG1 4.04Å; E240-I297 WeakPolarHBondContact O-CA 3.43Å; E240-L298 HydrophobicContact CB-CB 4.43Å; E240-L298 PolarHBondContact N-O 3.38Å; E240-L298 PolarHBondContact O-N 2.93Å; E240-K300 HydrophobicContact CG-CG 4.04Å; E240-K300 WeakPolarHBondContact OE1-CE 3.25Å; E240-K300 VanDerWaalsContact OE1-CG 3.28Å; E240-K300 WeakPolarHBondContact OE1-CG 3.18Å; E240-T347 WeakPolarHBondContact CB-OG1 3.2Å; E240-T347 WeakPolarHBondContact CG-OG1 3.46Å
241V95.5Very high90.7Very high43 Ų4340.3 Ų40.326%0.26121%0.214SC..EExtended strand (participates in β ladder)trans-100.5113.5170.1175.90000107.8I215 C216 V344I215-V241 HydrophobicContact CG2-CG2 3.83Å; C216-V241 HydrophobicContact CB-CG1 4.17Å; C216-V241 HydrophobicContact CB-CG2 3.88Å; V241-V344 HydrophobicContact CG2-CG1 4.24Å
242V94.6Very high91.5Very high20 Ų2035.3 Ų35.312%0.12118%0.183CC..EExtended strand (participates in β ladder)trans-126.8157.5-172.5-61.90000111.3E240 W244 K295 A296 L298 T347E240-V242 HydrophobicContact CB-CG1 4.04Å; V242-W244 PolarHBondContact O-N 3.28Å; V242-K295 CarbonylContact O-C 3.09Å; V242-K295 VanDerWaalsContact O-CA 3.25Å; V242-K295 WeakPolarHBondContact O-CA 3.46Å; V242-K295 WeakPolarHBondContact O-CB 3.45Å; V242-A296 HydrophobicContact CG2-CB 4.04Å; V242-A296 PolarHBondContact N-O 2.87Å; V242-A296 PolarHBondContact O-N 3.14Å; V242-L298 HydrophobicContact CG2-CB 4.06Å; V242-L298 HydrophobicContact CG2-CD2 4.5Å; V242-T347 HydrophobicContact CG1-CG2 4.05Å
243Q94.2Very high92.5Very high48 Ų4829.5 Ų29.522%0.22416%0.156CC..EExtended strand (participates in β ladder)trans-68130.6162.6-167.8-169-67.100108H249 R293Q243-H249 PolarHBondContact O-CE1 2.82Å; Q243-H249 VanDerWaalsContact O-CE1 3.28Å; Q243-H249 PolarHBondContact O-ND1 3.24Å; Q243-R293 HydrophobicContact CG-CB 4.13Å
244W94.6Very high93.3Very high0 Ų023.5 Ų23.50%013%0.13CC..  trans-65.4142.8176.5-175.784.7000110.3F221 V242 H249 L253 D279 L282 N283 W294 A296F221-W244 HydrophobicContact CD2-CB 3.7Å; F221-W244 AromaticContact CD2-CD1 3.58Å; F221-W244 HydrophobicContact CD2-CD2 4.02Å; F221-W244 AromaticContact CD2-CG 3.46Å; F221-W244 HydrophobicContact CD2-CG 3.46Å; F221-W244 VanDerWaalsContact CD2-CG 3.46Å; F221-W244 HydrophobicContact CE2-CB 4.1Å; F221-W244 AromaticContact CE2-CD2 3.75Å; F221-W244 HydrophobicContact CE2-CD2 3.75Å; F221-W244 HydrophobicContact CE2-CE3 4.16Å; F221-W244 AromaticContact CE2-CG 3.7Å; F221-W244 HydrophobicContact CE2-CG 3.7Å; F221-W244 AromaticContact CG-CD1 3.85Å; F221-W244 HydrophobicContact CG-CG 4.2Å; F221-W244 HydrophobicContact CZ-CD2 4.34Å; V242-W244 PolarHBondContact O-N 3.28Å; W244-H249 HydrophobicContact CG-CB 4.33Å; W244-H249 PolarHBondContact NE1-O 3.39Å; W244-L253 HydrophobicContact CZ2-CD2 4.47Å; W244-D279 HydrophobicContact CH2-CB 4.36Å; W244-L282 HydrophobicContact CH2-CB 3.82Å; W244-L282 HydrophobicContact CZ3-CB 3.96Å; W244-N283 HydrophobicContact CH2-CB 4.45Å; W244-N283 HydrophobicContact CZ3-CB 3.89Å; W244-W294 HydrophobicContact CB-CB 4.31Å; W244-W294 HydrophobicContact CE3-CE3 4.39Å; W244-W294 PolarHBondContact N-O 3.48Å; W244-A296 HydrophobicContact CB-CB 4.27Å
245F94.3Very high93.9Very high13 Ų1322.6 Ų22.66%0.05713%0.125CC..  trans-157120.7-174.3-163.7-93.6000109.3S247 Q248 H249 W280 N283 M287 R352F245-S247 WeakPolarHBondContact CE1-OG 3.39Å; F245-S247 PolarHBondContact O-N 3.45Å; F245-Q248 HydrophobicContact CD1-CG 4.23Å; F245-Q248 PolarHBondContact O-N 3.11Å; F245-Q248 VanDerWaalsContact O-N 3.09Å; F245-H249 PolarHBondContact N-ND1 3.01Å; F245-H249 WeakPolarHBondContact O-CB 3.39Å; F245-H249 PolarHBondContact O-N 3.14Å; F245-H249 PolarHBondContact O-ND1 2.62Å; F245-W280 AromaticContact CE1-CH2 3.86Å; F245-W280 HydrophobicContact CE1-CH2 3.86Å; F245-W280 HydrophobicContact CE1-CZ3 4.07Å; F245-W280 HydrophobicContact CZ-CH2 4.1Å; F245-W280 AromaticContact CZ-CZ3 3.97Å; F245-W280 HydrophobicContact CZ-CZ3 3.97Å; F245-N283 WeakPolarHBondContact CA-OD1 3.35Å; F245-N283 WeakPolarHBondContact CD2-OD1 3.48Å; F245-M287 HydrophobicContact CD2-SD 4.03Å; F245-M287 HydrophobicContact CE2-CE 4.44Å; F245-M287 HydrophobicContact CE2-SD 3.76Å; F245-R352 HydrophobicContact CD2-CB 3.97Å; F245-R352 HydrophobicContact CE2-CB 3.52Å; F245-R352 HydrophobicContact CZ-CB 3.84Å
246S90.3Very high94.3Very high0 Ų023.1 Ų23.10%012%0.123CC..Hα-helixtrans-50.7-55.6-165.2131.40000113.8Q248 H249 N250 D279 N283S246-Q248 PolarHBondContact O-N 3.28Å; S246-H249 PolarHBondContact O-N 3.36Å; S246-N250 VanDerWaalsContact O-CB 3.25Å; S246-N250 WeakPolarHBondContact O-CB 3.35Å; S246-N250 VanDerWaalsContact O-CG 3.22Å; S246-N250 PolarHBondContact O-N 3.46Å; S246-N250 PolarHBondContact O-OD1 3.49Å; S246-D279 VanDerWaalsContact CB-C 3.47Å; S246-D279 WeakPolarHBondContact CB-O 3.38Å; S246-D279 WeakPolarHBondContact CB-OD2 3.33Å; S246-D279 PolarHBondContact OG-OD2 3.08Å; S246-N283 PolarHBondContact N-OD1 3.24Å
247S87.4Confident94.7Very high47 Ų4725.8 Ų25.833%0.32913%0.133SC..Hα-helixtrans-71.40.8-175.266.60000116F245F245-S247 WeakPolarHBondContact CE1-OG 3.39Å; F245-S247 PolarHBondContact O-N 3.45Å
248Q90.6Very high94.9Very high77 Ų7728.1 Ų28.136%0.3615%0.148SC..Hα-helixtrans-119.6-27.8178.7-63.4-66.6-79.500112.2F245 S246F245-Q248 HydrophobicContact CD1-CG 4.23Å; F245-Q248 PolarHBondContact O-N 3.11Å; F245-Q248 VanDerWaalsContact O-N 3.09Å; S246-Q248 PolarHBondContact O-N 3.28Å
249H94.9Very high95.1Very high20 Ų2025.4 Ų25.49%0.09314%0.135CC..Hα-helixtrans-129.225.6-162-53.7132000112.2V223 Q243 W244 F245 S246V223-H249 HydrophobicContact CG1-CB 4.3Å; V223-H249 HydrophobicContact CG2-CB 3.97Å; Q243-H249 PolarHBondContact O-CE1 2.82Å; Q243-H249 VanDerWaalsContact O-CE1 3.28Å; Q243-H249 PolarHBondContact O-ND1 3.24Å; W244-H249 HydrophobicContact CG-CB 4.33Å; W244-H249 PolarHBondContact NE1-O 3.39Å; F245-H249 PolarHBondContact N-ND1 3.01Å; F245-H249 WeakPolarHBondContact O-CB 3.39Å; F245-H249 PolarHBondContact O-N 3.14Å; F245-H249 PolarHBondContact O-ND1 2.62Å; S246-H249 PolarHBondContact O-N 3.36Å
250N92.8Very high95.1Very high39 Ų3925.3 Ų25.321%0.20914%0.135CC..  trans-94.1-12.4177.362-13.3000113.7Y227 S246 D279Y227-N250 WeakPolarHBondContact CE2-OD1 3.46Å; Y227-N250 PolarHBondContact OH-OD1 3.38Å; S246-N250 VanDerWaalsContact O-CB 3.25Å; S246-N250 WeakPolarHBondContact O-CB 3.35Å; S246-N250 VanDerWaalsContact O-CG 3.22Å; S246-N250 PolarHBondContact O-N 3.46Å; S246-N250 PolarHBondContact O-OD1 3.49Å; N250-D279 PolarHBondContact ND2-OD2 3.25Å
251L95.7Very high95.2Very high7 Ų727.7 Ų27.74%0.03715%0.147CC..THydrogen-bonded Turntrans-87118.2-177.9-171.563.1000111.7V223 G225 Y227 V304 H306V223-L251 WeakPolarHBondContact CG1-O 3.4Å; G225-L251 WeakPolarHBondContact CA-O 3.42Å; G225-L251 PolarHBondContact N-O 3.36Å; Y227-L251 HydrophobicContact CE1-CD2 4.4Å; L251-V304 HydrophobicContact CD1-CG1 3.82Å; L251-V304 WeakPolarHBondContact CD2-O 3.46Å; L251-V304 HydrophobicContact CG-CB 4.33Å; L251-V304 HydrophobicContact CG-CG1 3.96Å; L251-H306 HydrophobicContact CD1-CB 4.12Å; L251-H306 HydrophobicContact CD2-CB 4.31Å
252G97.7Very high95.3Very high1 Ų128.5 Ų28.51%0.0115%0.148CC..THydrogen-bonded Turntrans6543.2-177.700000112.7L224L224-G252 PolarHBondContact N-O 3.49Å
253L97.8Very high95.4Very high1 Ų127.6 Ų27.61%0.00514%0.142CC..EExtended strand (participates in β ladder)trans-75.4128.7-178.6-174.566.7000110.4F190 F221 L222 V223 W244 F255 W278F190-L253 WeakPolarHBondContact CB-O 3.32Å; F190-L253 PolarHBondContact N-O 3.14Å; F221-L253 HydrophobicContact CB-CD1 3.88Å; F221-L253 HydrophobicContact CD1-CD1 3.35Å; F221-L253 HydrophobicContact CD1-CD2 4.14Å; F221-L253 HydrophobicContact CD1-CG 3.89Å; F221-L253 HydrophobicContact CE1-CD1 4Å; F221-L253 HydrophobicContact CE1-CD2 3.95Å; F221-L253 HydrophobicContact CE1-CG 4.22Å; F221-L253 HydrophobicContact CG-CD1 3.78Å; L222-L253 CarbonylContact O-C 3.59Å; V223-L253 HydrophobicContact CG2-CD1 3.97Å; W244-L253 HydrophobicContact CZ2-CD2 4.47Å; L253-F255 HydrophobicContact CD2-CD1 4.42Å; L253-F255 HydrophobicContact CD2-CE1 4.48Å; L253-F255 HydrophobicContact CG-CD1 4.4Å; L253-W278 HydrophobicContact CD2-CH2 4Å; L253-W278 HydrophobicContact CD2-CZ3 4.1Å
254A98.4Very high95.6Very high0 Ų028.2 Ų28.20%014%0.144CC..EExtended strand (participates in β ladder)trans-125.4141.8171.500000112.1W187 V188 L189 F221 L222W187-A254 HydrophobicContact CB-CB 4.45Å; W187-A254 HydrophobicContact CE3-CB 4.23Å; W187-A254 WeakPolarHBondContact CZ3-O 3.45Å; V188-A254 WeakPolarHBondContact O-CA 3.28Å; V188-A254 WeakPolarHBondContact O-CB 3.4Å; L189-A254 HydrophobicContact CB-CB 4.27Å; L189-A254 HydrophobicContact CD1-CB 4.06Å; F221-A254 WeakPolarHBondContact CA-O 3.3Å; L222-A254 HydrophobicContact CB-CB 4.29Å; L222-A254 PolarHBondContact N-O 2.8Å; L222-A254 PolarHBondContact O-N 3.06Å
255F98.2Very high95.7Very high0 Ų036.3 Ų36.30%018%0.18CC..EExtended strand (participates in β ladder)trans-151.2162.7174.360.1-86.8000113W167 F175 V188 F190 F221 L253 L259 W260 I263W167-F255 HydrophobicContact CZ2-CZ 4.48Å; F175-F255 HydrophobicContact CD2-CE2 4.25Å; F175-F255 HydrophobicContact CE1-CE2 4.43Å; F175-F255 HydrophobicContact CE2-CD2 4.03Å; F175-F255 AromaticContact CE2-CE2 3.19Å; F175-F255 HydrophobicContact CE2-CE2 3.19Å; F175-F255 AromaticContact CE2-CZ 3.6Å; F175-F255 HydrophobicContact CE2-CZ 3.6Å; F175-F255 AromaticContact CZ-CD2 3.64Å; F175-F255 HydrophobicContact CZ-CD2 3.64Å; F175-F255 AromaticContact CZ-CE2 3.31Å; F175-F255 HydrophobicContact CZ-CE2 3.31Å; F175-F255 AromaticContact CZ-CZ 3.97Å; F175-F255 HydrophobicContact CZ-CZ 3.97Å; V188-F255 PolarHBondContact N-O 3.07Å; V188-F255 PolarHBondContact O-N 3.14Å; V188-F255 VanDerWaalsContact O-N 3.11Å; F190-F255 HydrophobicContact CD2-CD1 4.03Å; F190-F255 AromaticContact CD2-CE1 3.54Å; F190-F255 HydrophobicContact CD2-CE1 3.54Å; F190-F255 HydrophobicContact CD2-CZ 4.23Å; F190-F255 AromaticContact CE2-CD1 3.83Å; F190-F255 HydrophobicContact CE2-CD1 3.83Å; F190-F255 AromaticContact CE2-CE1 3.19Å; F190-F255 HydrophobicContact CE2-CE1 3.19Å; F190-F255 HydrophobicContact CE2-CE2 4.24Å; F190-F255 AromaticContact CE2-CZ 3.44Å; F190-F255 HydrophobicContact CE2-CZ 3.44Å; F190-F255 VanDerWaalsContact CE2-CZ 3.44Å; F190-F255 AromaticContact CZ-CE1 3.93Å; F190-F255 HydrophobicContact CZ-CE1 3.93Å; F190-F255 AromaticContact CZ-CZ 3.76Å; F190-F255 HydrophobicContact CZ-CZ 3.76Å; F221-F255 HydrophobicContact CD1-CB 3.93Å; F221-F255 HydrophobicContact CD1-CD1 4.2Å; F221-F255 HydrophobicContact CD1-CG 4.4Å; F221-F255 HydrophobicContact CE1-CB 4.14Å; F221-F255 AromaticContact CE1-CD1 3.93Å; F221-F255 HydrophobicContact CE1-CD1 3.93Å; F221-F255 HydrophobicContact CE1-CG 4.19Å; L253-F255 HydrophobicContact CD2-CD1 4.42Å; L253-F255 HydrophobicContact CD2-CE1 4.48Å; L253-F255 HydrophobicContact CG-CD1 4.4Å; F255-L259 HydrophobicContact CB-CB 4.26Å; F255-L259 HydrophobicContact CB-CD2 3.43Å; F255-L259 VanDerWaalsContact CB-CD2 3.43Å; F255-L259 HydrophobicContact CB-CG 4.35Å; F255-L259 HydrophobicContact CD2-CB 4.2Å; F255-L259 HydrophobicContact CD2-CD2 4.09Å; F255-L259 HydrophobicContact CD2-CG 4.29Å; F255-L259 HydrophobicContact CG-CD2 3.86Å; F255-W260 HydrophobicContact CE2-CB 4.22Å; F255-I263 HydrophobicContact CE2-CD1 4.33Å
256K97.1Very high95.8Very high47 Ų4737.6 Ų37.620%0.20419%0.186CC..  trans-91.4166.2-179.3-69-162.167.9176.60112.6D185 W187 S258 L259 W260D185-K256 WeakPolarHBondContact O-CE 3.46Å; D185-K256 PolarHBondContact O-NZ 3.43Å; D185-K256 VanDerWaalsContact OD1-CE 3.24Å; D185-K256 WeakPolarHBondContact OD1-CE 3.25Å; D185-K256 IonicContact OD1-NZ 2.99Å; D185-K256 PolarHBondContact OD1-NZ 3.24Å; D185-K256 IonicContact OD2-NZ 2.68Å; D185-K256 PolarHBondContact OD2-NZ 3.47Å; W187-K256 HydrophobicContact CD2-CG 3.89Å; W187-K256 HydrophobicContact CE3-CG 4.31Å; W187-K256 HydrophobicContact CG-CG 4.21Å; W187-K256 HydrophobicContact CH2-CG 4.47Å; W187-K256 HydrophobicContact CZ2-CD 4.27Å; W187-K256 HydrophobicContact CZ2-CG 4.05Å; K256-S258 PolarHBondContact O-N 3.3Å; K256-L259 PolarHBondContact O-N 3.28Å; K256-L259 VanDerWaalsContact O-N 3.14Å; K256-W260 PolarHBondContact O-N 3Å
257K96.9Very high96.1Very high72 Ų7237.7 Ų37.731%0.31319%0.187SC..Hα-helixtrans-53.1-34.1169.5-170.1-179.9-174.5178.10113.1F175 V179 L259 W260 M261F175-K257 HydrophobicContact CD1-CB 4.19Å; F175-K257 HydrophobicContact CD1-CG 4.43Å; V179-K257 HydrophobicContact CG1-CB 4.48Å; V179-K257 HydrophobicContact CG1-CD 4.01Å; K257-L259 PolarHBondContact O-N 2.89Å; K257-W260 WeakPolarHBondContact O-CB 3.3Å; K257-W260 PolarHBondContact O-N 3.03Å; K257-M261 WeakPolarHBondContact O-CG 3.39Å; K257-M261 PolarHBondContact O-N 2.93Å
258S96.3Very high96.5Very high69 Ų6940.2 Ų40.248%0.48319%0.191SC..Hα-helixtrans-58.7-45.717753.50000112.6K256 M261 E262K256-S258 PolarHBondContact O-N 3.3Å; S258-M261 PolarHBondContact O-N 3.32Å; S258-E262 PolarHBondContact O-N 3.28Å
259L97.4Very high96.8Very high0 Ų038 Ų380%018%0.183CC..Hα-helixtrans-69-39177-179.660.1000111.3E220 F221 F255 K256 K257 M261 E262 I263 W294E220-L259 HydrophobicContact CB-CD1 3.94Å; E220-L259 HydrophobicContact CB-CD2 3.79Å; E220-L259 HydrophobicContact CB-CG 4.32Å; E220-L259 HydrophobicContact CG-CD1 4.19Å; F221-L259 HydrophobicContact CD1-CD2 3.66Å; F221-L259 HydrophobicContact CD2-CD2 4.34Å; F221-L259 HydrophobicContact CE1-CD2 3.23Å; F221-L259 HydrophobicContact CE2-CD2 3.97Å; F221-L259 HydrophobicContact CG-CD2 4.21Å; F221-L259 HydrophobicContact CZ-CD2 3.42Å; F221-L259 VanDerWaalsContact CZ-CD2 3.42Å; F221-L259 HydrophobicContact CZ-CG 4.5Å; F255-L259 HydrophobicContact CB-CB 4.26Å; F255-L259 HydrophobicContact CB-CD2 3.43Å; F255-L259 VanDerWaalsContact CB-CD2 3.43Å; F255-L259 HydrophobicContact CB-CG 4.35Å; F255-L259 HydrophobicContact CD2-CB 4.2Å; F255-L259 HydrophobicContact CD2-CD2 4.09Å; F255-L259 HydrophobicContact CD2-CG 4.29Å; F255-L259 HydrophobicContact CG-CD2 3.86Å; K256-L259 PolarHBondContact O-N 3.28Å; K256-L259 VanDerWaalsContact O-N 3.14Å; K257-L259 PolarHBondContact O-N 2.89Å; L259-M261 VanDerWaalsContact C-N 3.27Å; L259-M261 PolarHBondContact O-N 3.42Å; L259-E262 WeakPolarHBondContact O-CB 3.23Å; L259-E262 PolarHBondContact O-N 2.92Å; L259-E262 VanDerWaalsContact O-N 3.08Å; L259-I263 HydrophobicContact CG-CD1 4.09Å; L259-I263 HydrophobicContact CG-CG1 4.46Å; L259-I263 WeakPolarHBondContact O-CG1 3.27Å; L259-I263 PolarHBondContact O-N 3.42Å; L259-W294 HydrophobicContact CD1-CD2 4.23Å; L259-W294 HydrophobicContact CD1-CG 4.46Å; L259-W294 HydrophobicContact CD1-CZ2 3.86Å
260W97.6Very high97Very high0 Ų037 Ų370%018%0.179CC..Hα-helixtrans-54.9-44.5171.9167.9-104.3000111.9W168 A171 I172 F175 E176 F255 K256 K257 E262 I263 K264 L374W168-W260 HydrophobicContact CE3-CH2 4.07Å; W168-W260 HydrophobicContact CE3-CZ3 4.07Å; W168-W260 AromaticContact CH2-CH2 3.88Å; W168-W260 HydrophobicContact CH2-CH2 3.88Å; W168-W260 HydrophobicContact CH2-CZ3 4.18Å; W168-W260 HydrophobicContact CZ2-CH2 4.39Å; W168-W260 AromaticContact CZ3-CH2 3.71Å; W168-W260 HydrophobicContact CZ3-CH2 3.71Å; W168-W260 AromaticContact CZ3-CZ3 3.63Å; W168-W260 HydrophobicContact CZ3-CZ3 3.63Å; A171-W260 HydrophobicContact CB-CE3 4.07Å; A171-W260 HydrophobicContact CB-CH2 4.01Å; A171-W260 HydrophobicContact CB-CZ3 3.48Å; A171-W260 VanDerWaalsContact CB-CZ3 3.48Å; I172-W260 HydrophobicContact CB-CH2 4.49Å; I172-W260 HydrophobicContact CB-CZ2 4.36Å; I172-W260 HydrophobicContact CG1-CH2 3.53Å; I172-W260 HydrophobicContact CG1-CZ2 3.61Å; F175-W260 HydrophobicContact CB-CB 4.22Å; F175-W260 HydrophobicContact CB-CD2 3.88Å; F175-W260 HydrophobicContact CB-CG 3.52Å; F175-W260 HydrophobicContact CD1-CB 3.96Å; F175-W260 HydrophobicContact CD1-CG 4.19Å; F175-W260 HydrophobicContact CD2-CB 3.77Å; F175-W260 AromaticContact CD2-CD2 3.65Å; F175-W260 HydrophobicContact CD2-CD2 3.65Å; F175-W260 AromaticContact CD2-CE3 3.86Å; F175-W260 HydrophobicContact CD2-CE3 3.86Å; F175-W260 AromaticContact CD2-CG 3.6Å; F175-W260 HydrophobicContact CD2-CG 3.6Å; F175-W260 HydrophobicContact CE1-CB 4.24Å; F175-W260 HydrophobicContact CE2-CB 4.06Å; F175-W260 HydrophobicContact CE2-CD2 4.47Å; F175-W260 HydrophobicContact CE2-CE3 4.39Å; F175-W260 HydrophobicContact CE2-CG 4.34Å; F175-W260 HydrophobicContact CG-CB 3.72Å; F175-W260 AromaticContact CG-CD1 3.83Å; F175-W260 AromaticContact CG-CD2 3.97Å; F175-W260 HydrophobicContact CG-CD2 3.97Å; F175-W260 AromaticContact CG-CG 3.51Å; F175-W260 HydrophobicContact CG-CG 3.51Å; F175-W260 HydrophobicContact CZ-CB 4.28Å; E176-W260 PolarHBondContact OE1-NE1 3.08Å; F255-W260 HydrophobicContact CE2-CB 4.22Å; K256-W260 PolarHBondContact O-N 3Å; K257-W260 WeakPolarHBondContact O-CB 3.3Å; K257-W260 PolarHBondContact O-N 3.03Å; W260-E262 VanDerWaalsContact C-N 3.28Å; W260-E262 PolarHBondContact O-N 3.5Å; W260-I263 PolarHBondContact O-N 2.98Å; W260-K264 WeakPolarHBondContact O-CB 3.41Å; W260-K264 PolarHBondContact O-N 3.27Å; W260-L374 HydrophobicContact CZ2-CD2 4.33Å
261M97.2Very high97.2Very high78 Ų7835.2 Ų35.238%0.38417%0.169SC..Hα-helixtrans-63.3-33.2177.3-67.9-61.7-70.500112.5K257 S258 L259 K265K257-M261 WeakPolarHBondContact O-CG 3.39Å; K257-M261 PolarHBondContact O-N 2.93Å; S258-M261 PolarHBondContact O-N 3.32Å; L259-M261 VanDerWaalsContact C-N 3.27Å; L259-M261 PolarHBondContact O-N 3.42Å; M261-K265 WeakPolarHBondContact O-CG 3.41Å; M261-K265 PolarHBondContact O-N 3.22Å
262E97.2Very high97.1Very high60 Ų6037 Ų3728%0.2818%0.18SC..Hα-helixtrans-69-46.8171.8-174.1175.2-14300111.7S258 L259 W260 K264 K265 H266 W294S258-E262 PolarHBondContact O-N 3.28Å; L259-E262 WeakPolarHBondContact O-CB 3.23Å; L259-E262 PolarHBondContact O-N 2.92Å; L259-E262 VanDerWaalsContact O-N 3.08Å; W260-E262 VanDerWaalsContact C-N 3.28Å; W260-E262 PolarHBondContact O-N 3.5Å; E262-K264 VanDerWaalsContact C-N 3.26Å; E262-K264 PolarHBondContact O-N 3.25Å; E262-K265 WeakPolarHBondContact O-CB 3.23Å; E262-K265 PolarHBondContact O-N 2.75Å; E262-K265 VanDerWaalsContact O-N 3.12Å; E262-H266 PolarHBondContact O-CD2 2.89Å; E262-H266 VanDerWaalsContact O-CD2 3.29Å; E262-W294 HydrophobicContact CG-CZ2 4.49Å; E262-W294 PolarHBondContact OE2-NE1 3.15Å
263I97.9Very high97Very high0 Ų038.4 Ų38.40%019%0.186CC..Hα-helixtrans-56.3-43.7175.3-67.6168.2000110.4W168 F255 L259 W260 K265 H266 A267 L282 W294W168-I263 HydrophobicContact CH2-CG2 4.25Å; W168-I263 HydrophobicContact CZ3-CG2 3.79Å; F255-I263 HydrophobicContact CE2-CD1 4.33Å; L259-I263 HydrophobicContact CG-CD1 4.09Å; L259-I263 HydrophobicContact CG-CG1 4.46Å; L259-I263 WeakPolarHBondContact O-CG1 3.27Å; L259-I263 PolarHBondContact O-N 3.42Å; W260-I263 PolarHBondContact O-N 2.98Å; I263-K265 VanDerWaalsContact C-N 3.3Å; I263-K265 PolarHBondContact O-N 2.85Å; I263-H266 CarbonylContact O-C 3.51Å; I263-H266 WeakPolarHBondContact O-CA 3.36Å; I263-H266 PolarHBondContact O-N 3.46Å; I263-A267 PolarHBondContact O-N 3.43Å; I263-L282 HydrophobicContact CD1-CD1 4.49Å; I263-L282 HydrophobicContact CD1-CD2 4.07Å; I263-L282 HydrophobicContact CG1-CD2 4.06Å; I263-L282 HydrophobicContact CG2-CD2 3.82Å; I263-W294 HydrophobicContact CG1-CH2 3.75Å; I263-W294 HydrophobicContact CG1-CZ2 3.96Å
264K96.6Very high96.9Very high62 Ų6241.2 Ų41.227%0.2720%0.201SC..Hα-helixtrans-59.5-36.2178.5-171.416875.3178.80112.7E176 W260 E262 H266 A267 L374E176-K264 WeakPolarHBondContact OE1-CD 3.34Å; E176-K264 IonicContact OE1-NZ 2.84Å; E176-K264 PolarHBondContact OE1-NZ 3.06Å; E176-K264 IonicContact OE2-NZ 2.77Å; E176-K264 PolarHBondContact OE2-NZ 2.91Å; W260-K264 WeakPolarHBondContact O-CB 3.41Å; W260-K264 PolarHBondContact O-N 3.27Å; E262-K264 VanDerWaalsContact C-N 3.26Å; E262-K264 PolarHBondContact O-N 3.25Å; K264-H266 PolarHBondContact O-N 2.05Å; K264-A267 WeakPolarHBondContact O-CB 3.48Å; K264-A267 PolarHBondContact O-N 2.78Å; K264-L374 HydrophobicContact CD-CD2 3.95Å; K264-L374 HydrophobicContact CG-CD1 4.36Å; K264-L374 HydrophobicContact CG-CD2 4.05Å
265K96.7Very high96.8Very high170 Ų17041.2 Ų41.274%0.73920%0.201SC*.Hα-helixtrans-60.7-25.1174-68.2170.9-173.7178.60112.6M261 E262 I263M261-K265 WeakPolarHBondContact O-CG 3.41Å; M261-K265 PolarHBondContact O-N 3.22Å; E262-K265 WeakPolarHBondContact O-CB 3.23Å; E262-K265 PolarHBondContact O-N 2.75Å; E262-K265 VanDerWaalsContact O-N 3.12Å; I263-K265 VanDerWaalsContact C-N 3.3Å; I263-K265 PolarHBondContact O-N 2.85Å
266H97.3Very high96.6Very high40 Ų4042.1 Ų42.119%0.18520%0.204CC..THydrogen-bonded Turntrans-101.219.1178.2-60.8-64.9000113.4E262 I263 K264 K268 T269 F270 I285 L290E262-H266 PolarHBondContact O-CD2 2.89Å; E262-H266 VanDerWaalsContact O-CD2 3.29Å; I263-H266 CarbonylContact O-C 3.51Å; I263-H266 WeakPolarHBondContact O-CA 3.36Å; I263-H266 PolarHBondContact O-N 3.46Å; K264-H266 PolarHBondContact O-N 2.05Å; H266-K268 PolarHBondContact O-N 3.09Å; H266-T269 WeakPolarHBondContact O-CB 3.4Å; H266-T269 PolarHBondContact O-N 2.92Å; H266-F270 PolarHBondContact O-N 2.88Å; H266-I285 HydrophobicContact CB-CD1 3.91Å; H266-I285 HydrophobicContact CB-CG1 4.3Å; H266-I285 HydrophobicContact CB-CG2 4.02Å; H266-L290 WeakPolarHBondContact NE2-CD2 3.32Å
267A96.7Very high96.5Very high2 Ų241.3 Ų41.32%0.01720%0.202CC..Hα-helixtrans-53.1-39-179.600000113.5W168 I263 K264 T269 F270 C271 L371 L374W168-A267 HydrophobicContact CH2-CB 4.37Å; W168-A267 HydrophobicContact CZ2-CB 4.05Å; I263-A267 PolarHBondContact O-N 3.43Å; K264-A267 WeakPolarHBondContact O-CB 3.48Å; K264-A267 PolarHBondContact O-N 2.78Å; A267-T269 PolarHBondContact O-N 3.02Å; A267-F270 PolarHBondContact O-N 3.19Å; A267-C271 WeakPolarHBondContact O-CB 3.33Å; A267-C271 PolarHBondContact O-N 3.33Å; A267-C271 PolarHBondContact O-SG 3.17Å; A267-L371 HydrophobicContact CB-CD2 4.27Å; A267-L374 HydrophobicContact CB-CD1 3.33Å
268K96.4Very high96.5Very high99 Ų9938.6 Ų38.643%0.4319%0.19SC..Hα-helixtrans-54.4-53.7174.3-173.2173.4168.8162.40111.3Y15 H266 F270 C271 T272Y15-K268 HydrophobicContact CD1-CB 3.8Å; Y15-K268 HydrophobicContact CD1-CG 4.21Å; Y15-K268 HydrophobicContact CE1-CB 4.35Å; Y15-K268 WeakPolarHBondContact O-CD 3.3Å; Y15-K268 WeakPolarHBondContact O-CE 3.41Å; Y15-K268 PolarHBondContact O-NZ 3.08Å; H266-K268 PolarHBondContact O-N 3.09Å; K268-F270 VanDerWaalsContact C-N 3.32Å; K268-C271 PolarHBondContact O-N 3.12Å; K268-T272 WeakPolarHBondContact O-CB 3.37Å; K268-T272 VanDerWaalsContact O-CG2 3.32Å; K268-T272 WeakPolarHBondContact O-CG2 3.49Å; K268-T272 PolarHBondContact O-N 3.33Å; K268-T272 VanDerWaalsContact O-N 3.1Å; K268-T272 PolarHBondContact O-OG1 2.91Å
269T97Very high96.4Very high31 Ų3135.7 Ų35.719%0.1917%0.169CC..Hα-helixtrans-62.6-43.5179.1-54.30000110.3H266 A267 C271 T272 Y273 Y284 I285 I289H266-T269 WeakPolarHBondContact O-CB 3.4Å; H266-T269 PolarHBondContact O-N 2.92Å; A267-T269 PolarHBondContact O-N 3.02Å; T269-C271 PolarHBondContact O-N 3.06Å; T269-T272 PolarHBondContact O-N 3.44Å; T269-Y273 VanDerWaalsContact O-CB 3.31Å; T269-Y273 WeakPolarHBondContact O-CB 3.32Å; T269-Y273 PolarHBondContact O-N 3.29Å; T269-Y284 HydrophobicContact CG2-CD1 3.9Å; T269-Y284 HydrophobicContact CG2-CE1 3.8Å; T269-I285 HydrophobicContact CG2-CD1 4.47Å; T269-I285 HydrophobicContact CG2-CG1 3.83Å; T269-I289 HydrophobicContact CG2-CG1 4.26Å
270F97.9Very high96.3Very high0 Ų037.5 Ų37.50%018%0.176CC..Hα-helixtrans-59.3-49.6179.9-174.5-86.1000111.9K164 W167 W168 H266 A267 K268 T272 W278 T281 L282 I285K164-F270 WeakPolarHBondContact CE-O 3.22Å; K164-F270 HydrophobicContact CG-CE1 4.14Å; K164-F270 HydrophobicContact CG-CZ 4.18Å; K164-F270 PolarHBondContact NZ-O 2.84Å; W167-F270 HydrophobicContact CE3-CE2 4.39Å; W167-F270 AromaticContact CE3-CZ 3.88Å; W167-F270 HydrophobicContact CE3-CZ 3.88Å; W167-F270 AromaticContact CZ3-CE2 3.98Å; W167-F270 HydrophobicContact CZ3-CE2 3.98Å; W167-F270 AromaticContact CZ3-CZ 3.87Å; W167-F270 HydrophobicContact CZ3-CZ 3.87Å; W168-F270 HydrophobicContact CB-CE1 3.88Å; W168-F270 HydrophobicContact CB-CZ 4.43Å; W168-F270 AromaticContact CD2-CD1 3.83Å; W168-F270 HydrophobicContact CD2-CD1 3.83Å; W168-F270 AromaticContact CD2-CE1 3.65Å; W168-F270 HydrophobicContact CD2-CE1 3.65Å; W168-F270 HydrophobicContact CD2-CZ 4.39Å; W168-F270 AromaticContact CE3-CD1 3.71Å; W168-F270 HydrophobicContact CE3-CD1 3.71Å; W168-F270 AromaticContact CE3-CE1 3.5Å; W168-F270 HydrophobicContact CE3-CE1 3.5Å; W168-F270 HydrophobicContact CE3-CE2 4.33Å; W168-F270 HydrophobicContact CE3-CG 4.23Å; W168-F270 AromaticContact CE3-CZ 3.84Å; W168-F270 HydrophobicContact CE3-CZ 3.84Å; W168-F270 HydrophobicContact CG-CD1 4.31Å; W168-F270 AromaticContact CG-CE1 3.83Å; W168-F270 HydrophobicContact CG-CE1 3.83Å; W168-F270 HydrophobicContact CH2-CD1 4.4Å; W168-F270 HydrophobicContact CH2-CG 4.48Å; W168-F270 HydrophobicContact CZ2-CD1 4.49Å; W168-F270 HydrophobicContact CZ3-CD1 4.01Å; W168-F270 HydrophobicContact CZ3-CD2 4.38Å; W168-F270 HydrophobicContact CZ3-CE1 4.22Å; W168-F270 HydrophobicContact CZ3-CG 4.11Å; W168-F270 HydrophobicContact CZ3-CZ 4.48Å; H266-F270 PolarHBondContact O-N 2.88Å; A267-F270 PolarHBondContact O-N 3.19Å; K268-F270 VanDerWaalsContact C-N 3.32Å; F270-T272 VanDerWaalsContact C-N 3.3Å; F270-T272 PolarHBondContact O-N 3.42Å; F270-W278 HydrophobicContact CE2-CB 4.34Å; F270-W278 HydrophobicContact CZ-CB 4Å; F270-T281 VanDerWaalsContact CA-CG2 3.49Å; F270-T281 HydrophobicContact CB-CG2 4.15Å; F270-T281 HydrophobicContact CD2-CG2 3.47Å; F270-T281 VanDerWaalsContact CD2-CG2 3.47Å; F270-T281 HydrophobicContact CE2-CG2 3.98Å; F270-T281 HydrophobicContact CG-CG2 3.89Å; F270-T281 WeakPolarHBondContact O-CG2 3.49Å; F270-L282 HydrophobicContact CD2-CD2 3.99Å; F270-L282 HydrophobicContact CE2-CD2 4.05Å; F270-L282 HydrophobicContact CE2-CG 4.23Å; F270-I285 HydrophobicContact CB-CD1 4.17Å; F270-I285 HydrophobicContact CD2-CD1 4.43Å
271C97Very high96.3Very high0 Ų037.5 Ų37.50%018%0.176CC..Hα-helixtrans-74.7-14.1-177.5-67.20000114A267 K268 T269 W361 H367 C370 L371A267-C271 WeakPolarHBondContact O-CB 3.33Å; A267-C271 PolarHBondContact O-N 3.33Å; A267-C271 PolarHBondContact O-SG 3.17Å; K268-C271 PolarHBondContact O-N 3.12Å; T269-C271 PolarHBondContact O-N 3.06Å; C271-W361 PolarHBondContact O-NE1 2.91Å; C271-H367 PolarHBondContact O-CD2 2.83Å; C271-C370 WeakPolarHBondContact CA-SG 3.36Å; C271-C370 HydrophobicContact CB-CB 3.63Å; C271-C370 WeakPolarHBondContact CB-SG 3.12Å; C271-C370 WeakPolarHBondContact SG-CB 2.98Å; C271-C370 CovalentContact SG-SG 2.05Å; C271-C370 PolarHBondContact SG-SG 3.36Å; C271-L371 HydrophobicContact CB-CD2 4Å; C271-L371 HydrophobicContact CB-CG 3.97Å
272T94.8Very high96.2Very high44 Ų4433.8 Ų33.827%0.2716%0.157SC..Hα-helixtrans-113.7-15.7-177.156.70000114.9L17 K268 T269 F270 N274 H367L17-T272 HydrophobicContact CD2-CG2 3.19Å; K268-T272 WeakPolarHBondContact O-CB 3.37Å; K268-T272 VanDerWaalsContact O-CG2 3.32Å; K268-T272 WeakPolarHBondContact O-CG2 3.49Å; K268-T272 PolarHBondContact O-N 3.33Å; K268-T272 VanDerWaalsContact O-N 3.1Å; K268-T272 PolarHBondContact O-OG1 2.91Å; T269-T272 PolarHBondContact O-N 3.44Å; F270-T272 VanDerWaalsContact C-N 3.3Å; F270-T272 PolarHBondContact O-N 3.42Å; T272-N274 PolarHBondContact O-N 2.94Å; T272-H367 HydrophobicContact CG2-CB 4.48Å
273Y95.8Very high96.2Very high32 Ų3230.9 Ų30.913%0.12514%0.144CC..SBendtrans-65.5119.8173.8-173.7-109.1000109.9K164 T269 D275 T281 Y284 P357K164-Y273 PolarHBondContact NZ-O 3.22Å; K164-Y273 VanDerWaalsContact NZ-O 3.14Å; T269-Y273 VanDerWaalsContact O-CB 3.31Å; T269-Y273 WeakPolarHBondContact O-CB 3.32Å; T269-Y273 PolarHBondContact O-N 3.29Å; Y273-D275 HydrophobicContact CD1-CB 3.71Å; Y273-D275 HydrophobicContact CE1-CB 3.62Å; Y273-D275 PolarHBondContact O-N 3.01Å; Y273-T281 HydrophobicContact CD1-CG2 4.14Å; Y273-T281 HydrophobicContact CG-CG2 4.43Å; Y273-Y284 AromaticContact CD2-CD1 3.81Å; Y273-Y284 HydrophobicContact CD2-CD1 3.81Å; Y273-Y284 HydrophobicContact CD2-CD2 4.08Å; Y273-Y284 HydrophobicContact CD2-CE1 4.11Å; Y273-Y284 HydrophobicContact CD2-CE2 4.34Å; Y273-Y284 AromaticContact CD2-CG 3.8Å; Y273-Y284 HydrophobicContact CD2-CG 3.8Å; Y273-Y284 HydrophobicContact CE1-CG 4.46Å; Y273-Y284 HydrophobicContact CE2-CD1 4.01Å; Y273-Y284 AromaticContact CE2-CD2 3.41Å; Y273-Y284 HydrophobicContact CE2-CD2 3.41Å; Y273-Y284 VanDerWaalsContact CE2-CD2 3.41Å; Y273-Y284 HydrophobicContact CE2-CE1 4.37Å; Y273-Y284 AromaticContact CE2-CE2 3.83Å; Y273-Y284 HydrophobicContact CE2-CE2 3.83Å; Y273-Y284 AromaticContact CE2-CG 3.51Å; Y273-Y284 HydrophobicContact CE2-CG 3.51Å; Y273-Y284 HydrophobicContact CG-CD1 4.35Å; Y273-Y284 HydrophobicContact CG-CG 4.4Å; Y273-Y284 AromaticContact CZ-CD2 3.86Å; Y273-Y284 AromaticContact CZ-CG 3.86Å; Y273-P357 HydrophobicContact CE1-CB 4.05Å; Y273-P357 HydrophobicContact CE2-CB 4.47Å
274N95.2Very high96.1Very high60 Ų6034.3 Ų34.332%0.32116%0.157SC..SBendtrans-75.257.1-171.3-177.426.9000113T272 P357 G359 W361 A362T272-N274 PolarHBondContact O-N 2.94Å; N274-P357 WeakPolarHBondContact O-CB 3.44Å; N274-G359 WeakPolarHBondContact O-CA 3.21Å; N274-G359 PolarHBondContact O-N 3.45Å; N274-G359 WeakPolarHBondContact OD1-CA 3.44Å; N274-W361 WeakPolarHBondContact OD1-CA 3.42Å; N274-W361 PolarHBondContact OD1-N 3.37Å; N274-W361 VanDerWaalsContact OD1-N 3.14Å; N274-W361 PolarHBondContact OD1-O 3.18Å; N274-A362 PolarHBondContact OD1-N 2.64Å
275D95.6Very high96.1Very high0 Ų031.3 Ų31.30%014%0.144CC..BIsolated β-bridgetrans-135.2126.6170.5-158.2-44.8000108.5K164 Y273 N277 T281 P357 N358K164-D275 WeakPolarHBondContact CD-O 3.41Å; K164-D275 PolarHBondContact NZ-O 3.33Å; Y273-D275 HydrophobicContact CD1-CB 3.71Å; Y273-D275 HydrophobicContact CE1-CB 3.62Å; Y273-D275 PolarHBondContact O-N 3.01Å; D275-N277 PolarHBondContact O-N 3.38Å; D275-N277 VanDerWaalsContact OD1-CB 3.27Å; D275-N277 WeakPolarHBondContact OD1-CB 3.26Å; D275-N277 PolarHBondContact OD1-N 3.08Å; D275-N277 PolarHBondContact OD1-ND2 3.16Å; D275-T281 PolarHBondContact O-OG1 3.15Å; D275-P357 HydrophobicContact CB-CB 3.96Å; D275-P357 VanDerWaalsContact OD2-CA 3.26Å; D275-P357 WeakPolarHBondContact OD2-CA 3.28Å; D275-N358 PolarHBondContact OD1-ND2 3.25Å; D275-N358 PolarHBondContact OD2-N 2.74Å; D275-N358 PolarHBondContact OD2-ND2 2.94Å
276Y94.9Very high96Very high18 Ų1823.2 Ų23.27%0.07111%0.109CC..SBendtrans-71.2-16.6174.977.6-89.6000112.5L160 I163 K164 W278 H313 N358 G359 A360L160-Y276 HydrophobicContact CB-CD1 4.18Å; L160-Y276 HydrophobicContact CB-CD2 3.84Å; L160-Y276 HydrophobicContact CB-CE2 4.3Å; L160-Y276 HydrophobicContact CB-CG 3.79Å; L160-Y276 HydrophobicContact CD1-CD1 4.37Å; L160-Y276 HydrophobicContact CD1-CE1 4.21Å; L160-Y276 HydrophobicContact CD2-CD2 4.07Å; L160-Y276 HydrophobicContact CD2-CE1 4.26Å; L160-Y276 HydrophobicContact CD2-CE2 3.63Å; L160-Y276 HydrophobicContact CG-CD2 4.48Å; L160-Y276 HydrophobicContact CG-CE2 4.45Å; L160-Y276 WeakPolarHBondContact O-CD2 3.33Å; I163-Y276 HydrophobicContact CD1-CD2 4.49Å; I163-Y276 HydrophobicContact CD1-CE2 4.38Å; K164-Y276 VanDerWaalsContact CB-O 3.23Å; K164-Y276 WeakPolarHBondContact CB-O 3.49Å; Y276-W278 PolarHBondContact O-N 2.93Å; Y276-H313 PolarHBondContact OH-CE1 3.1Å; Y276-N358 HydrophobicContact CD1-CB 4.13Å; Y276-N358 HydrophobicContact CE1-CB 3.74Å; Y276-G359 PolarHBondContact N-O 3.02Å; Y276-A360 HydrophobicContact CD1-CB 4.01Å; Y276-A360 HydrophobicContact CG-CB 4.39Å
277N95.2Very high95.8Very high30 Ų3022.1 Ų22.116%0.1610%0.104CC..  trans-78.8118.4174.3-60.8-85.1000109.1D275 D279 W280 T281 N358D275-N277 PolarHBondContact O-N 3.38Å; D275-N277 VanDerWaalsContact OD1-CB 3.27Å; D275-N277 WeakPolarHBondContact OD1-CB 3.26Å; D275-N277 PolarHBondContact OD1-N 3.08Å; D275-N277 PolarHBondContact OD1-ND2 3.16Å; N277-D279 VanDerWaalsContact C-N 3.26Å; N277-D279 WeakPolarHBondContact CB-OD1 3.43Å; N277-D279 PolarHBondContact O-N 3.26Å; N277-W280 HydrophobicContact CB-CB 4.07Å; N277-W280 HydrophobicContact CB-CG 4.2Å; N277-T281 PolarHBondContact O-N 2.99Å; N277-T281 PolarHBondContact O-OG1 2.93Å; N277-N358 PolarHBondContact ND2-ND2 3.46Å
278W95.5Very high95.6Very high15 Ų1529.5 Ų29.56%0.05713%0.132CC..Hα-helixtrans-61.2-38179.260.7-94.8000111.3K164 W167 L253 F270 Y276 T281 L282K164-W278 HydrophobicContact CG-CB 4.42Å; W167-W278 HydrophobicContact CB-CB 4.21Å; W167-W278 HydrophobicContact CB-CG 4.02Å; W167-W278 AromaticContact CD1-CD1 3.62Å; W167-W278 AromaticContact CD1-CD2 3.56Å; W167-W278 AromaticContact CD1-CE2 3.48Å; W167-W278 VanDerWaalsContact CD1-CE2 3.48Å; W167-W278 AromaticContact CD1-CG 3.69Å; W167-W278 AromaticContact CD1-NE1 3.49Å; W167-W278 HydrophobicContact CD2-CB 3.8Å; W167-W278 AromaticContact CD2-CD2 3.71Å; W167-W278 HydrophobicContact CD2-CD2 3.71Å; W167-W278 AromaticContact CD2-CE3 3.91Å; W167-W278 HydrophobicContact CD2-CE3 3.91Å; W167-W278 AromaticContact CD2-CG 3.65Å; W167-W278 HydrophobicContact CD2-CG 3.65Å; W167-W278 AromaticContact CE2-CD2 3.48Å; W167-W278 VanDerWaalsContact CE2-CD2 3.48Å; W167-W278 AromaticContact CE2-CE3 3.33Å; W167-W278 AromaticContact CE2-CG 3.98Å; W167-W278 AromaticContact CE2-CZ3 3.79Å; W167-W278 HydrophobicContact CE3-CB 3.83Å; W167-W278 HydrophobicContact CE3-CD2 4.43Å; W167-W278 HydrophobicContact CE3-CE3 4.42Å; W167-W278 HydrophobicContact CE3-CG 4.2Å; W167-W278 HydrophobicContact CG-CB 3.95Å; W167-W278 AromaticContact CG-CD1 3.65Å; W167-W278 AromaticContact CG-CD2 3.8Å; W167-W278 HydrophobicContact CG-CD2 3.8Å; W167-W278 HydrophobicContact CG-CE3 4.46Å; W167-W278 AromaticContact CG-CG 3.52Å; W167-W278 HydrophobicContact CG-CG 3.52Å; W167-W278 HydrophobicContact CH2-CE3 4.03Å; W167-W278 HydrophobicContact CZ2-CD2 4.08Å; W167-W278 AromaticContact CZ2-CE3 3.42Å; W167-W278 HydrophobicContact CZ2-CE3 3.42Å; W167-W278 VanDerWaalsContact CZ2-CE3 3.42Å; W167-W278 HydrophobicContact CZ2-CH2 4.47Å; W167-W278 AromaticContact CZ2-CZ3 3.66Å; W167-W278 HydrophobicContact CZ2-CZ3 3.66Å; W167-W278 HydrophobicContact CZ3-CE3 4.47Å; W167-W278 AromaticContact NE1-CD2 3.35Å; W167-W278 VanDerWaalsContact NE1-CD2 3.35Å; W167-W278 AromaticContact NE1-CE2 3.39Å; W167-W278 AromaticContact NE1-CE3 3.53Å; W167-W278 AromaticContact NE1-CG 3.95Å; W167-W278 AromaticContact NE1-CH2 3.83Å; W167-W278 AromaticContact NE1-CZ2 3.65Å; W167-W278 AromaticContact NE1-CZ3 3.77Å; W167-W278 AromaticContact NE1-NE1 3.92Å; L253-W278 HydrophobicContact CD2-CH2 4Å; L253-W278 HydrophobicContact CD2-CZ3 4.1Å; F270-W278 HydrophobicContact CE2-CB 4.34Å; F270-W278 HydrophobicContact CZ-CB 4Å; Y276-W278 PolarHBondContact O-N 2.93Å; W278-T281 VanDerWaalsContact O-CB 3.32Å; W278-T281 WeakPolarHBondContact O-CB 3.45Å; W278-T281 PolarHBondContact O-N 2.86Å; W278-L282 HydrophobicContact CE3-CD1 3.75Å; W278-L282 HydrophobicContact CE3-CG 4.49Å; W278-L282 HydrophobicContact CZ3-CD1 3.83Å; W278-L282 WeakPolarHBondContact O-CG 3.28Å; W278-L282 PolarHBondContact O-N 2.9Å
279D95.1Very high95.6Very high9 Ų928.2 Ų28.25%0.04813%0.129CC..Hα-helixtrans-73.9-38.9-176.266.4-25.5000112W244 S246 N250 N277 T281 L282 N283W244-D279 HydrophobicContact CH2-CB 4.36Å; S246-D279 VanDerWaalsContact CB-C 3.47Å; S246-D279 WeakPolarHBondContact CB-O 3.38Å; S246-D279 WeakPolarHBondContact CB-OD2 3.33Å; S246-D279 PolarHBondContact OG-OD2 3.08Å; N250-D279 PolarHBondContact ND2-OD2 3.25Å; N277-D279 VanDerWaalsContact C-N 3.26Å; N277-D279 WeakPolarHBondContact CB-OD1 3.43Å; N277-D279 PolarHBondContact O-N 3.26Å; D279-T281 PolarHBondContact O-N 2.9Å; D279-L282 PolarHBondContact O-N 3.44Å; D279-N283 WeakPolarHBondContact O-CB 3.05Å; D279-N283 PolarHBondContact O-N 2.81Å
280W95.7Very high95.5Very high37 Ų3727.9 Ų27.914%0.1413%0.126CC..Hα-helixtrans-62.2-35.1170.8-78.8121.1000112.2F245 N277 N283 Y284 T354 S355F245-W280 AromaticContact CE1-CH2 3.86Å; F245-W280 HydrophobicContact CE1-CH2 3.86Å; F245-W280 HydrophobicContact CE1-CZ3 4.07Å; F245-W280 HydrophobicContact CZ-CH2 4.1Å; F245-W280 AromaticContact CZ-CZ3 3.97Å; F245-W280 HydrophobicContact CZ-CZ3 3.97Å; N277-W280 HydrophobicContact CB-CB 4.07Å; N277-W280 HydrophobicContact CB-CG 4.2Å; W280-N283 HydrophobicContact CE3-CB 4.27Å; W280-N283 PolarHBondContact O-N 3.38Å; W280-Y284 PolarHBondContact O-N 3.22Å; W280-T354 HydrophobicContact CE3-CG2 4.43Å; W280-S355 WeakPolarHBondContact CH2-OG 3.14Å; W280-S355 WeakPolarHBondContact CZ3-OG 3.37Å
281T96.3Very high95.3Very high0 Ų033.2 Ų33.20%017%0.17CC..Hα-helixtrans-65.2-46.4174-57.10000111.6K164 F270 Y273 D275 N277 W278 D279 N283 Y284 I285K164-T281 PolarHBondContact NZ-OG1 2.83Å; F270-T281 VanDerWaalsContact CA-CG2 3.49Å; F270-T281 HydrophobicContact CB-CG2 4.15Å; F270-T281 HydrophobicContact CD2-CG2 3.47Å; F270-T281 VanDerWaalsContact CD2-CG2 3.47Å; F270-T281 HydrophobicContact CE2-CG2 3.98Å; F270-T281 HydrophobicContact CG-CG2 3.89Å; F270-T281 WeakPolarHBondContact O-CG2 3.49Å; Y273-T281 HydrophobicContact CD1-CG2 4.14Å; Y273-T281 HydrophobicContact CG-CG2 4.43Å; D275-T281 PolarHBondContact O-OG1 3.15Å; N277-T281 PolarHBondContact O-N 2.99Å; N277-T281 PolarHBondContact O-OG1 2.93Å; W278-T281 VanDerWaalsContact O-CB 3.32Å; W278-T281 WeakPolarHBondContact O-CB 3.45Å; W278-T281 PolarHBondContact O-N 2.86Å; D279-T281 PolarHBondContact O-N 2.9Å; T281-N283 VanDerWaalsContact C-N 3.29Å; T281-N283 PolarHBondContact O-N 3.45Å; T281-Y284 WeakPolarHBondContact O-CB 3.21Å; T281-Y284 PolarHBondContact O-N 2.9Å; T281-I285 PolarHBondContact O-N 2.83Å; T281-I285 VanDerWaalsContact O-N 3.09Å
282L96.7Very high95.1Very high0 Ų042 Ų420%021%0.208CC..Hα-helixtrans-61.1-39173.4-69.8-175.8000111.8W167 W244 I263 F270 W278 D279 Y284 I285 S286 W294W167-L282 HydrophobicContact CH2-CD1 3.88Å; W167-L282 HydrophobicContact CZ2-CD1 4.25Å; W244-L282 HydrophobicContact CH2-CB 3.82Å; W244-L282 HydrophobicContact CZ3-CB 3.96Å; I263-L282 HydrophobicContact CD1-CD1 4.49Å; I263-L282 HydrophobicContact CD1-CD2 4.07Å; I263-L282 HydrophobicContact CG1-CD2 4.06Å; I263-L282 HydrophobicContact CG2-CD2 3.82Å; F270-L282 HydrophobicContact CD2-CD2 3.99Å; F270-L282 HydrophobicContact CE2-CD2 4.05Å; F270-L282 HydrophobicContact CE2-CG 4.23Å; W278-L282 HydrophobicContact CE3-CD1 3.75Å; W278-L282 HydrophobicContact CE3-CG 4.49Å; W278-L282 HydrophobicContact CZ3-CD1 3.83Å; W278-L282 WeakPolarHBondContact O-CG 3.28Å; W278-L282 PolarHBondContact O-N 2.9Å; D279-L282 PolarHBondContact O-N 3.44Å; L282-Y284 VanDerWaalsContact C-N 3.34Å; L282-Y284 PolarHBondContact O-N 3.22Å; L282-I285 HydrophobicContact CD2-CD1 4.49Å; L282-I285 PolarHBondContact O-N 3.1Å; L282-S286 PolarHBondContact O-N 3.22Å; L282-W294 HydrophobicContact CB-CZ3 4.06Å; L282-W294 HydrophobicContact CD2-CH2 4.29Å; L282-W294 HydrophobicContact CD2-CZ3 4.32Å; L282-W294 WeakPolarHBondContact O-CZ3 3.27Å
283N95.4Very high95.1Very high0 Ų044.9 Ų44.90%021%0.214CC..Hα-helixtrans-64.9-39.2178-172.880.4000111.6W244 F245 S246 D279 W280 T281 S286 M287 T354W244-N283 HydrophobicContact CH2-CB 4.45Å; W244-N283 HydrophobicContact CZ3-CB 3.89Å; F245-N283 WeakPolarHBondContact CA-OD1 3.35Å; F245-N283 WeakPolarHBondContact CD2-OD1 3.48Å; S246-N283 PolarHBondContact N-OD1 3.24Å; D279-N283 WeakPolarHBondContact O-CB 3.05Å; D279-N283 PolarHBondContact O-N 2.81Å; W280-N283 HydrophobicContact CE3-CB 4.27Å; W280-N283 PolarHBondContact O-N 3.38Å; T281-N283 VanDerWaalsContact C-N 3.29Å; T281-N283 PolarHBondContact O-N 3.45Å; N283-S286 PolarHBondContact O-N 2.68Å; N283-M287 PolarHBondContact ND2-SD 3.35Å; N283-M287 VanDerWaalsContact O-CB 3.28Å; N283-M287 WeakPolarHBondContact O-CB 3.36Å; N283-M287 VanDerWaalsContact O-CG 3.29Å; N283-M287 WeakPolarHBondContact O-CG 3.34Å; N283-M287 PolarHBondContact O-N 3.31Å; N283-T354 WeakPolarHBondContact ND2-CG2 3.47Å
284Y95.8Very high95.1Very high71 Ų7143.6 Ų43.628%0.27821%0.209SC..Hα-helixtrans-60.1-48.3171.5177.8-95.5000111.7T269 Y273 W280 T281 L282 S286 M287 R288 I289T269-Y284 HydrophobicContact CG2-CD1 3.9Å; T269-Y284 HydrophobicContact CG2-CE1 3.8Å; Y273-Y284 AromaticContact CD2-CD1 3.81Å; Y273-Y284 HydrophobicContact CD2-CD1 3.81Å; Y273-Y284 HydrophobicContact CD2-CD2 4.08Å; Y273-Y284 HydrophobicContact CD2-CE1 4.11Å; Y273-Y284 HydrophobicContact CD2-CE2 4.34Å; Y273-Y284 AromaticContact CD2-CG 3.8Å; Y273-Y284 HydrophobicContact CD2-CG 3.8Å; Y273-Y284 HydrophobicContact CE1-CG 4.46Å; Y273-Y284 HydrophobicContact CE2-CD1 4.01Å; Y273-Y284 AromaticContact CE2-CD2 3.41Å; Y273-Y284 HydrophobicContact CE2-CD2 3.41Å; Y273-Y284 VanDerWaalsContact CE2-CD2 3.41Å; Y273-Y284 HydrophobicContact CE2-CE1 4.37Å; Y273-Y284 AromaticContact CE2-CE2 3.83Å; Y273-Y284 HydrophobicContact CE2-CE2 3.83Å; Y273-Y284 AromaticContact CE2-CG 3.51Å; Y273-Y284 HydrophobicContact CE2-CG 3.51Å; Y273-Y284 HydrophobicContact CG-CD1 4.35Å; Y273-Y284 HydrophobicContact CG-CG 4.4Å; Y273-Y284 AromaticContact CZ-CD2 3.86Å; Y273-Y284 AromaticContact CZ-CG 3.86Å; W280-Y284 PolarHBondContact O-N 3.22Å; T281-Y284 WeakPolarHBondContact O-CB 3.21Å; T281-Y284 PolarHBondContact O-N 2.9Å; L282-Y284 VanDerWaalsContact C-N 3.34Å; L282-Y284 PolarHBondContact O-N 3.22Å; Y284-S286 PolarHBondContact O-N 3.04Å; Y284-M287 PolarHBondContact O-N 2.83Å; Y284-R288 HydrophobicContact CD2-CB 4.2Å; Y284-R288 HydrophobicContact CD2-CG 3.81Å; Y284-R288 HydrophobicContact CE1-CB 4.5Å; Y284-R288 HydrophobicContact CE2-CB 3.94Å; Y284-R288 HydrophobicContact CE2-CG 3.72Å; Y284-R288 VanDerWaalsContact O-CB 3.31Å; Y284-R288 WeakPolarHBondContact O-CB 3.42Å; Y284-R288 PolarHBondContact O-N 3.12Å; Y284-I289 HydrophobicContact CD1-CG1 4.42Å; Y284-I289 HydrophobicContact CE1-CD1 4Å; Y284-I289 HydrophobicContact CE1-CG1 4.09Å
285I96.4Very high95.1Very high0 Ų045.4 Ų45.40%021%0.214CC..Iπ-helixtrans-56.2-51.9176.5-68.2164.6000110.3H266 T269 F270 T281 L282 M287 I289 L290 W294H266-I285 HydrophobicContact CB-CD1 3.91Å; H266-I285 HydrophobicContact CB-CG1 4.3Å; H266-I285 HydrophobicContact CB-CG2 4.02Å; T269-I285 HydrophobicContact CG2-CD1 4.47Å; T269-I285 HydrophobicContact CG2-CG1 3.83Å; F270-I285 HydrophobicContact CB-CD1 4.17Å; F270-I285 HydrophobicContact CD2-CD1 4.43Å; T281-I285 PolarHBondContact O-N 2.83Å; T281-I285 VanDerWaalsContact O-N 3.09Å; L282-I285 HydrophobicContact CD2-CD1 4.49Å; L282-I285 PolarHBondContact O-N 3.1Å; I285-M287 VanDerWaalsContact C-N 3.31Å; I285-M287 PolarHBondContact O-N 2.93Å; I285-I289 HydrophobicContact CG2-CB 4.45Å; I285-I289 WeakPolarHBondContact O-CA 3.38Å; I285-I289 WeakPolarHBondContact O-CB 3.06Å; I285-I289 PolarHBondContact O-N 3.48Å; I285-L290 HydrophobicContact CG2-CD1 4.48Å; I285-L290 HydrophobicContact CG2-CD2 4.5Å; I285-L290 HydrophobicContact CG2-CG 4.16Å; I285-L290 PolarHBondContact O-N 3.13Å; I285-W294 HydrophobicContact CB-CH2 4.46Å; I285-W294 HydrophobicContact CG2-CH2 3.95Å; I285-W294 HydrophobicContact CG2-CZ2 4.46Å
286S95.3Very high95.2Very high0 Ų045.4 Ų45.40%021%0.214CC..Iπ-helixtrans-60.5-37.5-179.6-178.40000113.6L282 N283 Y284 R293 W294L282-S286 PolarHBondContact O-N 3.22Å; N283-S286 PolarHBondContact O-N 2.68Å; Y284-S286 PolarHBondContact O-N 3.04Å; S286-R293 WeakPolarHBondContact O-CG 3.39Å; S286-W294 PolarHBondContact OG-N 3.45Å
287M92.9Very high95.3Very high16 Ų1644.6 Ų44.68%0.07921%0.21CC..Iπ-helixtrans-93.2-23.9-170.9-71.4-175.162.600114.1F245 N283 Y284 I285 R352 T354F245-M287 HydrophobicContact CD2-SD 4.03Å; F245-M287 HydrophobicContact CE2-CE 4.44Å; F245-M287 HydrophobicContact CE2-SD 3.76Å; N283-M287 PolarHBondContact ND2-SD 3.35Å; N283-M287 VanDerWaalsContact O-CB 3.28Å; N283-M287 WeakPolarHBondContact O-CB 3.36Å; N283-M287 VanDerWaalsContact O-CG 3.29Å; N283-M287 WeakPolarHBondContact O-CG 3.34Å; N283-M287 PolarHBondContact O-N 3.31Å; Y284-M287 PolarHBondContact O-N 2.83Å; I285-M287 VanDerWaalsContact C-N 3.31Å; I285-M287 PolarHBondContact O-N 2.93Å; M287-R352 WeakPolarHBondContact CE-O 3.44Å; M287-T354 VanDerWaalsContact CE-OG1 3.24Å; M287-T354 WeakPolarHBondContact CE-OG1 3.37Å; M287-T354 PolarHBondContact SD-OG1 3.27Å
288R93.7Very high95.4Very high158 Ų15843.5 Ų43.560%0.59621%0.205SC*.Iπ-helixtrans-120.8-22.7-171.4-62.7-60.8-146.1-126.22.2114.4Y284Y284-R288 HydrophobicContact CD2-CB 4.2Å; Y284-R288 HydrophobicContact CD2-CG 3.81Å; Y284-R288 HydrophobicContact CE1-CB 4.5Å; Y284-R288 HydrophobicContact CE2-CB 3.94Å; Y284-R288 HydrophobicContact CE2-CG 3.72Å; Y284-R288 VanDerWaalsContact O-CB 3.31Å; Y284-R288 WeakPolarHBondContact O-CB 3.42Å; Y284-R288 PolarHBondContact O-N 3.12Å
289I94.7Very high95.4Very high72 Ų7242.9 Ų42.937%0.36920%0.202SC..Iπ-helixtrans-109.3-45.6-173.4-52.8-59.8000111.1T269 Y284 I285T269-I289 HydrophobicContact CG2-CG1 4.26Å; Y284-I289 HydrophobicContact CD1-CG1 4.42Å; Y284-I289 HydrophobicContact CE1-CD1 4Å; Y284-I289 HydrophobicContact CE1-CG1 4.09Å; I285-I289 HydrophobicContact CG2-CB 4.45Å; I285-I289 WeakPolarHBondContact O-CA 3.38Å; I285-I289 WeakPolarHBondContact O-CB 3.06Å; I285-I289 PolarHBondContact O-N 3.48Å
290L95.3Very high95.3Very high24 Ų2444.5 Ų44.513%0.12621%0.209CC..  trans-74.3138.9-178.8-61.3-176.7000112H266 I285 K292 W294H266-L290 WeakPolarHBondContact NE2-CD2 3.32Å; I285-L290 HydrophobicContact CG2-CD1 4.48Å; I285-L290 HydrophobicContact CG2-CD2 4.5Å; I285-L290 HydrophobicContact CG2-CG 4.16Å; I285-L290 PolarHBondContact O-N 3.13Å; L290-K292 VanDerWaalsContact C-N 3.3Å; L290-K292 WeakPolarHBondContact CB-O 3.32Å; L290-W294 HydrophobicContact CD1-CD2 3.94Å; L290-W294 HydrophobicContact CD1-CG 4.3Å; L290-W294 HydrophobicContact CD1-CH2 4.32Å; L290-W294 HydrophobicContact CD1-CZ2 3.55Å; L290-W294 VanDerWaalsContact CD1-NE1 3.3Å
291A94Very high95.2Very high112 Ų11242.9 Ų42.993%0.92620%0.203SC*.SBendtrans-65.9-35.7171.400000111.8
292K93.1Very high95.2Very high183 Ų18342.9 Ų42.980%0.79620%0.203SC*.SBendtrans-114.7121.9175.1-65.9-177.7-177.2177.40108.9L290L290-K292 VanDerWaalsContact C-N 3.3Å; L290-K292 WeakPolarHBondContact CB-O 3.32Å
293R94.1Very high95.1Very high105 Ų10542.9 Ų42.940%0.39620%0.203SC..  trans-71.2143177.9-53.9-175.3179.9159.72.9110Q243 S286Q243-R293 HydrophobicContact CG-CB 4.13Å; S286-R293 WeakPolarHBondContact O-CG 3.39Å
294W96Very high95.3Very high6 Ų642.9 Ų42.92%0.02320%0.203CC..  trans-64.1143.3175.4-64.2-40.7000111.4F221 W244 L259 E262 I263 L282 I285 S286 L290F221-W294 HydrophobicContact CD2-CB 3.96Å; F221-W294 HydrophobicContact CE2-CB 3.66Å; F221-W294 AromaticContact CE2-CD2 3.84Å; F221-W294 HydrophobicContact CE2-CD2 3.84Å; F221-W294 AromaticContact CE2-CE3 3.64Å; F221-W294 HydrophobicContact CE2-CE3 3.64Å; F221-W294 AromaticContact CE2-CG 3.89Å; F221-W294 HydrophobicContact CE2-CG 3.89Å; F221-W294 HydrophobicContact CZ-CD2 4.33Å; F221-W294 AromaticContact CZ-CE3 3.94Å; F221-W294 HydrophobicContact CZ-CE3 3.94Å; F221-W294 HydrophobicContact CZ-CZ3 4.43Å; W244-W294 HydrophobicContact CB-CB 4.31Å; W244-W294 HydrophobicContact CE3-CE3 4.39Å; W244-W294 PolarHBondContact N-O 3.48Å; L259-W294 HydrophobicContact CD1-CD2 4.23Å; L259-W294 HydrophobicContact CD1-CG 4.46Å; L259-W294 HydrophobicContact CD1-CZ2 3.86Å; E262-W294 HydrophobicContact CG-CZ2 4.49Å; E262-W294 PolarHBondContact OE2-NE1 3.15Å; I263-W294 HydrophobicContact CG1-CH2 3.75Å; I263-W294 HydrophobicContact CG1-CZ2 3.96Å; L282-W294 HydrophobicContact CB-CZ3 4.06Å; L282-W294 HydrophobicContact CD2-CH2 4.29Å; L282-W294 HydrophobicContact CD2-CZ3 4.32Å; L282-W294 WeakPolarHBondContact O-CZ3 3.27Å; I285-W294 HydrophobicContact CB-CH2 4.46Å; I285-W294 HydrophobicContact CG2-CH2 3.95Å; I285-W294 HydrophobicContact CG2-CZ2 4.46Å; S286-W294 PolarHBondContact OG-N 3.45Å; L290-W294 HydrophobicContact CD1-CD2 3.94Å; L290-W294 HydrophobicContact CD1-CG 4.3Å; L290-W294 HydrophobicContact CD1-CH2 4.32Å; L290-W294 HydrophobicContact CD1-CZ2 3.55Å; L290-W294 VanDerWaalsContact CD1-NE1 3.3Å
295K96Very high95.3Very high98 Ų9839.9 Ų39.943%0.42619%0.191SC..EExtended strand (participates in β ladder)trans-117.1153.5175.4-64.7-178.5-179-1790110.1C219 E220 F221 V242C219-K295 HydrophobicContact CB-CB 4.37Å; C219-K295 VanDerWaalsContact SG-CB 3.56Å; E220-K295 PolarHBondContact N-O 2.84Å; F221-K295 PolarHBondContact N-O 2.89Å; V242-K295 CarbonylContact O-C 3.09Å; V242-K295 VanDerWaalsContact O-CA 3.25Å; V242-K295 WeakPolarHBondContact O-CA 3.46Å; V242-K295 WeakPolarHBondContact O-CB 3.45Å
296A96.8Very high95.3Very high0 Ų042.8 Ų42.80%021%0.205CC..EExtended strand (participates in β ladder)trans-124.1145.6177.800000111.1F221 V223 V242 W244F221-A296 HydrophobicContact CB-CB 3.86Å; F221-A296 CarbonylContact O-C 3.47Å; F221-A296 VanDerWaalsContact O-CA 3.24Å; F221-A296 WeakPolarHBondContact O-CA 3.48Å; V223-A296 HydrophobicContact CG2-CB 3.73Å; V242-A296 HydrophobicContact CG2-CB 4.04Å; V242-A296 PolarHBondContact N-O 2.87Å; V242-A296 PolarHBondContact O-N 3.14Å; W244-A296 HydrophobicContact CB-CB 4.27Å
297I97.5Very high95.3Very high0 Ų042.8 Ų42.80%021%0.205CC..EExtended strand (participates in β ladder)trans-90.3113.7159-56.8174000106.7I208 K212 I215 C216 C219 F221 L222 V223 V239 E240I208-I297 HydrophobicContact CG2-CB 4.34Å; I208-I297 HydrophobicContact CG2-CD1 4.08Å; I208-I297 HydrophobicContact CG2-CG2 3.88Å; K212-I297 HydrophobicContact CG-CD1 4.06Å; I215-I297 HydrophobicContact CB-CD1 4.11Å; I215-I297 HydrophobicContact CG2-CD1 3.66Å; I215-I297 HydrophobicContact CG2-CG1 3.93Å; I215-I297 HydrophobicContact CG2-CG2 4.12Å; C216-I297 HydrophobicContact CB-CD1 4.24Å; C216-I297 HydrophobicContact CB-CG1 4.14Å; C219-I297 HydrophobicContact CB-CD1 4.37Å; C219-I297 HydrophobicContact CB-CG1 3.91Å; F221-I297 PolarHBondContact O-N 3.02Å; L222-I297 HydrophobicContact CD2-CB 3.83Å; L222-I297 HydrophobicContact CD2-CD1 3.85Å; L222-I297 HydrophobicContact CD2-CG1 4.14Å; V223-I297 PolarHBondContact N-O 3.45Å; V239-I297 HydrophobicContact CB-CG2 3.78Å; V239-I297 HydrophobicContact CG1-CG2 4.09Å; V239-I297 HydrophobicContact CG2-CG2 3.99Å; E240-I297 WeakPolarHBondContact O-CA 3.43Å
298L96.8Very high95.2Very high8 Ų842.2 Ų42.24%0.04220%0.203CC..EExtended strand (participates in β ladder)trans-104.2129.4-177.4175.165.2000110.1V223 N226 V239 E240 V242V223-L298 HydrophobicContact CB-CD1 3.77Å; V223-L298 HydrophobicContact CG1-CD1 3.54Å; N226-L298 HydrophobicContact CB-CD1 4.31Å; V239-L298 CarbonylContact C-O 3.54Å; V239-L298 WeakPolarHBondContact CA-O 3.33Å; E240-L298 HydrophobicContact CB-CB 4.43Å; E240-L298 PolarHBondContact N-O 3.38Å; E240-L298 PolarHBondContact O-N 2.93Å; V242-L298 HydrophobicContact CG2-CB 4.06Å; V242-L298 HydrophobicContact CG2-CD2 4.5Å
299V95.6Very high94.8Very high1 Ų135.5 Ų35.51%0.00618%0.179CC..EExtended strand (participates in β ladder)trans-74.1137.8171.5-60.70000111.1I204 I208 V223 L224 N226 V239 K301I204-V299 HydrophobicContact CG2-CG1 4.2Å; I208-V299 HydrophobicContact CD1-CG1 3.59Å; V223-V299 PolarHBondContact O-N 3.09Å; V223-V299 VanDerWaalsContact O-N 3.07Å; L224-V299 VanDerWaalsContact C-CG2 3.48Å; L224-V299 HydrophobicContact CD2-CG1 3.89Å; L224-V299 VanDerWaalsContact O-CG2 3.31Å; L224-V299 WeakPolarHBondContact O-CG2 3.12Å; N226-V299 PolarHBondContact ND2-O 3.27Å; V239-V299 HydrophobicContact CG1-CG1 4.37Å; V299-K301 WeakPolarHBondContact CB-O 3.26Å; V299-K301 WeakPolarHBondContact CG2-O 3.36Å
300K93.2Very high94.1Very high44 Ų4433.2 Ų33.219%0.19117%0.169CC..SBendtrans-71.9-53.4172.3-85.6-167.3171.5169.20111.8N226 L234 Q238 E240 P302 S345N226-K300 PolarHBondContact ND2-O 2.96Å; L234-K300 WeakPolarHBondContact CD1-O 3.16Å; Q238-K300 HydrophobicContact CB-CB 4.12Å; Q238-K300 HydrophobicContact CB-CD 3.76Å; Q238-K300 HydrophobicContact CB-CG 4.18Å; Q238-K300 PolarHBondContact O-N 3.27Å; Q238-K300 VanDerWaalsContact OE1-CD 3.25Å; E240-K300 HydrophobicContact CG-CG 4.04Å; E240-K300 WeakPolarHBondContact OE1-CE 3.25Å; E240-K300 VanDerWaalsContact OE1-CG 3.28Å; E240-K300 WeakPolarHBondContact OE1-CG 3.18Å; K300-P302 WeakPolarHBondContact O-CD 3.42Å; K300-S345 VanDerWaalsContact CE-OG 3.29Å; K300-S345 WeakPolarHBondContact CE-OG 3.48Å; K300-S345 PolarHBondContact NZ-OG 3.34Å
301K93.7Very high92.9Very high2 Ų233.7 Ų33.71%0.00918%0.18CC..SBendtrans-78115.3169.1-178-178.5-176.4-171.60108.6L234 P236 V299 R303 T333L234-K301 HydrophobicContact CB-CB 4Å; L234-K301 HydrophobicContact CB-CG 4.49Å; P236-K301 HydrophobicContact CB-CD 3.83Å; V299-K301 WeakPolarHBondContact CB-O 3.26Å; V299-K301 WeakPolarHBondContact CG2-O 3.36Å; K301-R303 VanDerWaalsContact O-CD 3.23Å; K301-R303 WeakPolarHBondContact O-CD 3.35Å; K301-R303 PolarHBondContact O-NH1 3.45Å; K301-T333 WeakPolarHBondContact CE-OG1 3.33Å; K301-T333 PolarHBondContact NZ-O 3.01Å; K301-T333 PolarHBondContact NZ-OG1 2.78Å; K301-T333 VanDerWaalsContact NZ-OG1 3.08Å
302P95.5Very high91.3Very high0 Ų033.3 Ų33.30%017%0.166CC..  trans-66.4142.217828-33.4000111.1L230 K300 F305L230-P302 HydrophobicContact CD2-CG 3.96Å; K300-P302 WeakPolarHBondContact O-CD 3.42Å; P302-F305 HydrophobicContact CB-CD1 4.36Å; P302-F305 HydrophobicContact CB-CE1 4.08Å; P302-F305 HydrophobicContact CB-CZ 4.43Å; P302-F305 HydrophobicContact CG-CD1 4.12Å; P302-F305 HydrophobicContact CG-CE1 3.58Å; P302-F305 HydrophobicContact CG-CZ 4.17Å; P302-F305 WeakPolarHBondContact O-CZ 3.29Å
303R96.3Very high89.9Confident1 Ų131.3 Ų31.30%0.00416%0.159CC..SBendtrans-110.5-17172.3-78.539.2-170.2-130.9-0.2111.2V197 S198 D200 L201 I204 L224 P236 K301V197-R303 CarbonylContact C-O 3.59Å; V197-R303 VanDerWaalsContact CA-O 3.23Å; V197-R303 WeakPolarHBondContact CA-O 3.25Å; S198-R303 PolarHBondContact N-O 2.89Å; S198-R303 VanDerWaalsContact OG-CA 3.31Å; S198-R303 WeakPolarHBondContact OG-CA 3.01Å; S198-R303 WeakPolarHBondContact OG-CB 3.45Å; S198-R303 VanDerWaalsContact OG-CG 3.26Å; S198-R303 WeakPolarHBondContact OG-CG 3.46Å; D200-R303 IonicContact OD1-NE 3.8Å; D200-R303 PolarHBondContact OD1-NE 2.78Å; D200-R303 IonicContact OD2-CZ 3.82Å; D200-R303 IonicContact OD2-NE 3.1Å; D200-R303 PolarHBondContact OD2-NE 3.28Å; D200-R303 IonicContact OD2-NH2 3.4Å; D200-R303 PolarHBondContact OD2-NH2 3.08Å; L201-R303 HydrophobicContact CD1-CB 3.7Å; I204-R303 HydrophobicContact CB-CG 4.44Å; I204-R303 VanDerWaalsContact CD1-NH2 3.27Å; I204-R303 HydrophobicContact CG1-CG 4.46Å; L224-R303 HydrophobicContact CB-CB 4.43Å; L224-R303 WeakPolarHBondContact O-CA 3.24Å; L224-R303 PolarHBondContact O-N 3.3Å; P236-R303 PolarHBondContact O-NH1 3.45Å; P236-R303 PolarHBondContact O-NH2 2.77Å; K301-R303 VanDerWaalsContact O-CD 3.23Å; K301-R303 WeakPolarHBondContact O-CD 3.35Å; K301-R303 PolarHBondContact O-NH1 3.45Å
304V98.2Very high88.3Confident0 Ų031.7 Ų31.70%016%0.164CC..EExtended strand (participates in β ladder)trans-118.4129.4171.8-174.70000107.9L191 N195 Y196 V197 L201 L224 G225 L251L191-V304 HydrophobicContact CD2-CB 4.48Å; L191-V304 HydrophobicContact CD2-CG1 3.7Å; L191-V304 HydrophobicContact CD2-CG2 3.9Å; N195-V304 HydrophobicContact CB-CG1 3.99Å; Y196-V304 WeakPolarHBondContact O-CA 2.86Å; V197-V304 HydrophobicContact CG1-CG2 4.2Å; L201-V304 HydrophobicContact CD1-CG2 3.8Å; L224-V304 HydrophobicContact CB-CG2 3.88Å; L224-V304 PolarHBondContact O-N 2.84Å; G225-V304 WeakPolarHBondContact CA-O 3.47Å; L251-V304 HydrophobicContact CD1-CG1 3.82Å; L251-V304 WeakPolarHBondContact CD2-O 3.46Å; L251-V304 HydrophobicContact CG-CB 4.33Å; L251-V304 HydrophobicContact CG-CG1 3.96Å
305F97.4Very high86.4Confident7 Ų743.6 Ų43.63%0.03121%0.209CC..EExtended strand (participates in β ladder)trans-123.5141.7-175.9-53.2-95.6000109.2N195 Y196 L230 P302 V326 Y329 L330N195-F305 CarbonylContact C-O 3.45Å; N195-F305 WeakPolarHBondContact CA-O 3.33Å; Y196-F305 PolarHBondContact N-O 3.32Å; Y196-F305 WeakPolarHBondContact O-CD2 3.43Å; Y196-F305 PolarHBondContact O-N 3.33Å; L230-F305 HydrophobicContact CD1-CD1 3.86Å; L230-F305 HydrophobicContact CD1-CE1 4.11Å; L230-F305 HydrophobicContact CD2-CD1 4.06Å; L230-F305 HydrophobicContact CD2-CE1 3.79Å; P302-F305 HydrophobicContact CB-CD1 4.36Å; P302-F305 HydrophobicContact CB-CE1 4.08Å; P302-F305 HydrophobicContact CB-CZ 4.43Å; P302-F305 HydrophobicContact CG-CD1 4.12Å; P302-F305 HydrophobicContact CG-CE1 3.58Å; P302-F305 HydrophobicContact CG-CZ 4.17Å; P302-F305 WeakPolarHBondContact O-CZ 3.29Å; F305-V326 HydrophobicContact CB-CB 4.49Å; F305-V326 HydrophobicContact CB-CG1 3.98Å; F305-V326 HydrophobicContact CB-CG2 3.61Å; F305-V326 HydrophobicContact CD1-CG1 4.09Å; F305-V326 HydrophobicContact CD1-CG2 3.9Å; F305-V326 HydrophobicContact CD2-CG1 3.81Å; F305-V326 HydrophobicContact CE2-CG1 4.31Å; F305-V326 HydrophobicContact CG-CB 4.48Å; F305-V326 HydrophobicContact CG-CG1 3.7Å; F305-V326 HydrophobicContact CG-CG2 3.88Å; F305-Y329 AromaticContact CE1-CD1 3.89Å; F305-Y329 HydrophobicContact CE1-CD1 3.89Å; F305-Y329 HydrophobicContact CE1-CE1 4.03Å; F305-Y329 HydrophobicContact CZ-CD1 4.11Å; F305-Y329 HydrophobicContact CZ-CE1 4.16Å; F305-L330 HydrophobicContact CE2-CD1 4.37Å; F305-L330 HydrophobicContact CE2-CD2 3.93Å; F305-L330 HydrophobicContact CE2-CG 4.42Å; F305-L330 HydrophobicContact CZ-CD2 3.84Å; F305-L330 HydrophobicContact CZ-CG 4.41Å
306H95.8Very high84.4Confident62 Ų6241.4 Ų41.429%0.28721%0.206SC..EExtended strand (participates in β ladder)trans-92.3119.2171.7175.974.1000109.6D194 L251 G308D194-H306 VanDerWaalsContact CG-CE1 3.43Å; D194-H306 VanDerWaalsContact CG-ND1 3.35Å; D194-H306 IonicContact OD1-CE1 2.97Å; D194-H306 IonicContact OD1-ND1 3.45Å; D194-H306 PolarHBondContact OD1-ND1 3.5Å; D194-H306 IonicContact OD2-CE1 3.44Å; D194-H306 PolarHBondContact OD2-CE1 3.2Å; D194-H306 IonicContact OD2-ND1 2.87Å; D194-H306 PolarHBondContact OD2-ND1 2.84Å; L251-H306 HydrophobicContact CD1-CB 4.12Å; L251-H306 HydrophobicContact CD2-CB 4.31Å; H306-G308 PolarHBondContact NE2-O 2.93Å
307I94.9Very high82.8Confident0 Ų045.6 Ų45.60%025%0.249CC..  trans-107.10.4-17959.4164000112.9Y73 E76 D194 Y196 D309 L323 V326Y73-I307 HydrophobicContact CD1-CD1 3.83Å; Y73-I307 HydrophobicContact CD1-CG1 3.94Å; Y73-I307 HydrophobicContact CE1-CD1 4.48Å; Y73-I307 HydrophobicContact CE1-CG1 4.35Å; Y73-I307 VanDerWaalsContact CE1-O 3.23Å; Y73-I307 WeakPolarHBondContact CE1-O 3.46Å; E76-I307 HydrophobicContact CB-CD1 3.86Å; D194-I307 WeakPolarHBondContact O-CG1 3.28Å; D194-I307 PolarHBondContact O-N 3.49Å; Y196-I307 HydrophobicContact CD2-CD1 4.4Å; I307-D309 PolarHBondContact O-N 3.45Å; I307-L323 HydrophobicContact CB-CB 4.36Å; I307-L323 HydrophobicContact CD1-CD1 3.91Å; I307-L323 HydrophobicContact CG2-CB 4.41Å; I307-L323 HydrophobicContact CG2-CD1 4.3Å; I307-V326 HydrophobicContact CG2-CB 4.41Å; I307-V326 HydrophobicContact CG2-CG2 3.99Å
308G91.1Very high81.7Confident4 Ų452 Ų524%0.04128%0.279CS..  trans-67.482.5178.300000114H306 C310H306-G308 PolarHBondContact NE2-O 2.93Å; G308-C310 VanDerWaalsContact C-N 3.31Å
309D85.9Confident80.9Confident16 Ų1654.2 Ų54.29%0.08630%0.295CS..SBendtrans-77.2-20171.5-73.2-35.2000113.1Y73 I307 K314 S316 K321 S322Y73-D309 PolarHBondContact OH-N 2.87Å; Y73-D309 VanDerWaalsContact OH-N 3.13Å; I307-D309 PolarHBondContact O-N 3.45Å; D309-K314 VanDerWaalsContact O-CB 3.27Å; D309-K314 WeakPolarHBondContact O-CB 3.32Å; D309-S316 PolarHBondContact O-OG 3.48Å; D309-K321 WeakPolarHBondContact OD2-CA 3.35Å; D309-K321 WeakPolarHBondContact OD2-CB 3.45Å; D309-K321 PolarHBondContact OD2-N 3.04Å; D309-S322 VanDerWaalsContact OD1-CB 3.29Å; D309-S322 WeakPolarHBondContact OD1-CB 3.31Å; D309-S322 PolarHBondContact OD1-OG 2.92Å; D309-S322 WeakPolarHBondContact OD2-CB 3.43Å; D309-S322 PolarHBondContact OD2-N 2.99Å; D309-S322 PolarHBondContact OD2-OG 3.48Å
310C78.7Confident80.5Confident24 Ų2457.9 Ų57.916%0.16232%0.317CS..SBendtrans-128.2135.8-179.3-65.50000110.1R70 Y73 G308 S316 C319R70-C310 PolarHBondContact NH1-O 3.05Å; Y73-C310 WeakPolarHBondContact CE2-O 3.35Å; Y73-C310 PolarHBondContact OH-N 3.49Å; G308-C310 VanDerWaalsContact C-N 3.31Å; C310-S316 PolarHBondContact SG-O 3.46Å; C310-S316 PolarHBondContact SG-OG 3.3Å; C310-C319 HydrophobicContact CB-CB 3.85Å; C310-C319 WeakPolarHBondContact CB-SG 3.07Å; C310-C319 VanDerWaalsContact SG-CA 3.52Å; C310-C319 WeakPolarHBondContact SG-CB 3.19Å; C310-C319 CovalentContact SG-SG 2.04Å; C310-C319 PolarHBondContact SG-SG 2.89Å
311G70.4Confident80.3Confident35 Ų3560.4 Ų60.436%0.36133%0.328SS..BIsolated β-bridgetrans166-159.9-178.500000113.5H313 K314G311-H313 PolarHBondContact O-N 3.3Å; G311-K314 PolarHBondContact N-O 2.83Å; G311-K314 VanDerWaalsContact N-O 3.07Å; G311-K314 PolarHBondContact O-N 3.44Å; G311-K314 VanDerWaalsContact O-N 3.14Å
312V60.8Low80.3Confident103 Ų10361.7 Ų61.762%0.62434%0.337SS*.THydrogen-bonded Turntrans-50.7-32.7-175.5-178.30000113L160L160-V312 HydrophobicContact CD2-CG1 4.18Å
313H63Low80.2Confident142 Ų14262.3 Ų62.366%0.65734%0.34SS*.THydrogen-bonded Turntrans-111.1-4.1-176.2-58.4-62.1000115.4Y276 G311Y276-H313 PolarHBondContact OH-CE1 3.1Å; G311-H313 PolarHBondContact O-N 3.3Å
314K62Low80.1Confident112 Ų11266.3 Ų66.349%0.48736%0.362SS..BIsolated β-bridgetrans-141.1128.2-172.4-65.3-178.2-175.3166.70112.6D309 G311D309-K314 VanDerWaalsContact O-CB 3.27Å; D309-K314 WeakPolarHBondContact O-CB 3.32Å; G311-K314 PolarHBondContact N-O 2.83Å; G311-K314 VanDerWaalsContact N-O 3.07Å; G311-K314 PolarHBondContact O-N 3.44Å; G311-K314 VanDerWaalsContact O-N 3.14Å
315R54.4Low79.9Confident256 Ų25673.2 Ų73.297%0.96639%0.388SS*.  trans-115.382.7168.7-64.2-179.6-177.8-176.4-0.9108.2
316S55.7Low79.8Confident53 Ų5373 Ų7337%0.37139%0.388SS..  trans-99.9150.9173.572.10000110.1D309 C310 Q318D309-S316 PolarHBondContact O-OG 3.48Å; C310-S316 PolarHBondContact SG-O 3.46Å; C310-S316 PolarHBondContact SG-OG 3.3Å; S316-Q318 PolarHBondContact O-N 3.22Å
317G62.5Low79.8Confident88 Ų8872.9 Ų72.991%0.90739%0.386SS*.SBendtrans-77.2-6.5175.600000114.2
318Q74.2Confident79.8Confident134 Ų13478.2 Ų78.263%0.62641%0.414SS*.  trans-130.884.1-177.5-72.2179.3-11.500110S316 T320S316-Q318 PolarHBondContact O-N 3.22Å; Q318-T320 PolarHBondContact O-N 3.01Å; Q318-T320 VanDerWaalsContact O-N 3.11Å
319C80.5Confident79.9Confident55 Ų5578.4 Ų78.437%0.37241%0.414SS..THydrogen-bonded Turntrans-733.4-175.5-57.20000115.2Y73 C310Y73-C319 PolarHBondContact OH-O 3.44Å; C310-C319 HydrophobicContact CB-CB 3.85Å; C310-C319 WeakPolarHBondContact CB-SG 3.07Å; C310-C319 VanDerWaalsContact SG-CA 3.52Å; C310-C319 WeakPolarHBondContact SG-CB 3.19Å; C310-C319 CovalentContact SG-SG 2.04Å; C310-C319 PolarHBondContact SG-SG 2.89Å
320T86Confident80.3Confident78 Ų7878.5 Ų78.548%0.47941%0.414SS..THydrogen-bonded Turntrans-1172.1-173.955.80000114.2Q318 S322 L323 N324Q318-T320 PolarHBondContact O-N 3.01Å; Q318-T320 VanDerWaalsContact O-N 3.11Å; T320-S322 PolarHBondContact O-N 2.65Å; T320-L323 PolarHBondContact O-N 3.18Å; T320-N324 PolarHBondContact O-N 3Å
321K90.2Very high81Confident96 Ų9684 Ų8442%0.41744%0.437SS..Hα-helixtrans-63.5-44.9-173.4-176.7179.8-177.3174.50112.4D309 R325D309-K321 WeakPolarHBondContact OD2-CA 3.35Å; D309-K321 WeakPolarHBondContact OD2-CB 3.45Å; D309-K321 PolarHBondContact OD2-N 3.04Å; K321-R325 WeakPolarHBondContact O-CG 3.34Å; K321-R325 PolarHBondContact O-N 3.04Å; K321-R325 VanDerWaalsContact O-N 3.16Å
322S92.9Very high81.9Confident29 Ų2990 Ų9020%0.20345%0.454CS..Hα-helixtrans-69.9-39.2179.3-68.60000111.3D309 T320 N324 R325 V326D309-S322 VanDerWaalsContact OD1-CB 3.29Å; D309-S322 WeakPolarHBondContact OD1-CB 3.31Å; D309-S322 PolarHBondContact OD1-OG 2.92Å; D309-S322 WeakPolarHBondContact OD2-CB 3.43Å; D309-S322 PolarHBondContact OD2-N 2.99Å; D309-S322 PolarHBondContact OD2-OG 3.48Å; T320-S322 PolarHBondContact O-N 2.65Å; S322-N324 PolarHBondContact O-N 3.26Å; S322-R325 PolarHBondContact O-N 3.03Å; S322-V326 VanDerWaalsContact O-CG2 3.32Å; S322-V326 WeakPolarHBondContact O-CG2 3.22Å; S322-V326 PolarHBondContact O-N 3.41Å
323L93.9Very high83.3Confident13 Ų1385.4 Ų85.47%0.06843%0.425CS..Hα-helixtrans-55.9-51.5172.817864.1000111.7E76 Y196 I307 T320 R325 V326 K327E76-L323 HydrophobicContact CB-CD1 4.34Å; E76-L323 HydrophobicContact CG-CD1 4.2Å; E76-L323 HydrophobicContact CG-CD2 3.83Å; Y196-L323 HydrophobicContact CD2-CD1 3.77Å; Y196-L323 HydrophobicContact CE2-CD1 3.97Å; I307-L323 HydrophobicContact CB-CB 4.36Å; I307-L323 HydrophobicContact CD1-CD1 3.91Å; I307-L323 HydrophobicContact CG2-CB 4.41Å; I307-L323 HydrophobicContact CG2-CD1 4.3Å; T320-L323 PolarHBondContact O-N 3.18Å; L323-R325 VanDerWaalsContact C-N 3.31Å; L323-R325 PolarHBondContact O-N 3.48Å; L323-V326 PolarHBondContact O-N 3.06Å; L323-V326 VanDerWaalsContact O-N 3.15Å; L323-K327 HydrophobicContact CD1-CD 4.37Å; L323-K327 HydrophobicContact CD1-CG 4.48Å; L323-K327 HydrophobicContact CG-CD 4.4Å; L323-K327 PolarHBondContact O-N 2.85Å
324N94.1Very high84.3Confident86 Ų8681.1 Ų81.146%0.4641%0.414SS..Hα-helixtrans-61.4-39.9-180-69.2-15.4000111.9T320 S322 K327 L328T320-N324 PolarHBondContact O-N 3Å; S322-N324 PolarHBondContact O-N 3.26Å; N324-K327 PolarHBondContact O-N 3.4Å; N324-L328 WeakPolarHBondContact O-CB 3.32Å; N324-L328 VanDerWaalsContact O-CG 3.31Å; N324-L328 WeakPolarHBondContact O-CG 3.38Å; N324-L328 PolarHBondContact O-N 2.99Å
325R93.9Very high85Confident145 Ų14580.5 Ų80.555%0.54743%0.425SS..Hα-helixtrans-62.8-41175.3-75.6172170-166.4-7.9112.5K321 S322 L323 Y329K321-R325 WeakPolarHBondContact O-CG 3.34Å; K321-R325 PolarHBondContact O-N 3.04Å; K321-R325 VanDerWaalsContact O-N 3.16Å; S322-R325 PolarHBondContact O-N 3.03Å; L323-R325 VanDerWaalsContact C-N 3.31Å; L323-R325 PolarHBondContact O-N 3.48Å; R325-Y329 VanDerWaalsContact O-CB 3.32Å; R325-Y329 WeakPolarHBondContact O-CB 3.45Å; R325-Y329 PolarHBondContact O-N 3.02Å
326V95.3Very high86Confident3 Ų372.4 Ų72.42%0.01840%0.397CS..Hα-helixtrans-65.7-46.7177.4170.80000110.8Y196 L230 F305 I307 S322 L323 L328 Y329 L330Y196-V326 HydrophobicContact CD1-CG1 3.75Å; Y196-V326 HydrophobicContact CE1-CG1 4.35Å; Y196-V326 HydrophobicContact CG-CG1 4.15Å; L230-V326 HydrophobicContact CD1-CG2 3.71Å; F305-V326 HydrophobicContact CB-CB 4.49Å; F305-V326 HydrophobicContact CB-CG1 3.98Å; F305-V326 HydrophobicContact CB-CG2 3.61Å; F305-V326 HydrophobicContact CD1-CG1 4.09Å; F305-V326 HydrophobicContact CD1-CG2 3.9Å; F305-V326 HydrophobicContact CD2-CG1 3.81Å; F305-V326 HydrophobicContact CE2-CG1 4.31Å; F305-V326 HydrophobicContact CG-CB 4.48Å; F305-V326 HydrophobicContact CG-CG1 3.7Å; F305-V326 HydrophobicContact CG-CG2 3.88Å; I307-V326 HydrophobicContact CG2-CB 4.41Å; I307-V326 HydrophobicContact CG2-CG2 3.99Å; S322-V326 VanDerWaalsContact O-CG2 3.32Å; S322-V326 WeakPolarHBondContact O-CG2 3.22Å; S322-V326 PolarHBondContact O-N 3.41Å; L323-V326 PolarHBondContact O-N 3.06Å; L323-V326 VanDerWaalsContact O-N 3.15Å; V326-L328 PolarHBondContact O-N 3.06Å; V326-Y329 WeakPolarHBondContact O-CB 3.41Å; V326-Y329 PolarHBondContact O-N 3.3Å; V326-L330 HydrophobicContact CG1-CD1 3.92Å; V326-L330 HydrophobicContact CG1-CG 4.38Å; V326-L330 WeakPolarHBondContact O-CG 3.48Å; V326-L330 PolarHBondContact O-N 2.87Å
327K95.1Very high86.9Confident59 Ų5970.9 Ų70.926%0.25739%0.385SS..Hα-helixtrans-58.5-50178-72.1-176.9175.3173.80111.7E76 L323 N324 Y329 L330 E331E76-K327 IonicContact OE1-NZ 3.85Å; E76-K327 WeakPolarHBondContact OE2-CE 3.45Å; E76-K327 IonicContact OE2-NZ 2.76Å; E76-K327 PolarHBondContact OE2-NZ 2.98Å; L323-K327 HydrophobicContact CD1-CD 4.37Å; L323-K327 HydrophobicContact CD1-CG 4.48Å; L323-K327 HydrophobicContact CG-CD 4.4Å; L323-K327 PolarHBondContact O-N 2.85Å; N324-K327 PolarHBondContact O-N 3.4Å; K327-Y329 VanDerWaalsContact C-N 3.3Å; K327-Y329 PolarHBondContact O-N 3.37Å; K327-L330 PolarHBondContact O-N 3.26Å; K327-E331 WeakPolarHBondContact O-CG 3.26Å; K327-E331 PolarHBondContact O-N 3.39Å
328L94.6Very high87.7Confident112 Ų11273.2 Ų73.259%0.58638%0.376SS*.Hα-helixtrans-59.4-38.8176-71.2171.3000113N324 V326 K332N324-L328 WeakPolarHBondContact O-CB 3.32Å; N324-L328 VanDerWaalsContact O-CG 3.31Å; N324-L328 WeakPolarHBondContact O-CG 3.38Å; N324-L328 PolarHBondContact O-N 2.99Å; V326-L328 PolarHBondContact O-N 3.06Å; L328-K332 WeakPolarHBondContact O-CB 3.49Å; L328-K332 PolarHBondContact O-N 3.45Å
329Y94Very high88.2Confident8 Ų867.2 Ų67.23%0.03135%0.348CS..Hα-helixtrans-66.5-42.6177.2176.1-101.7000112.4L230 F305 R325 V326 K327 K332 T333L230-Y329 HydrophobicContact CB-CD2 3.89Å; L230-Y329 HydrophobicContact CB-CE2 4.46Å; L230-Y329 HydrophobicContact CB-CG 3.95Å; L230-Y329 HydrophobicContact CD1-CG 4.48Å; L230-Y329 HydrophobicContact CD2-CD1 4.12Å; L230-Y329 HydrophobicContact CD2-CE1 4.16Å; L230-Y329 HydrophobicContact CD2-CG 4.29Å; L230-Y329 HydrophobicContact CG-CG 4.47Å; L230-Y329 WeakPolarHBondContact O-CD2 3.23Å; F305-Y329 AromaticContact CE1-CD1 3.89Å; F305-Y329 HydrophobicContact CE1-CD1 3.89Å; F305-Y329 HydrophobicContact CE1-CE1 4.03Å; F305-Y329 HydrophobicContact CZ-CD1 4.11Å; F305-Y329 HydrophobicContact CZ-CE1 4.16Å; R325-Y329 VanDerWaalsContact O-CB 3.32Å; R325-Y329 WeakPolarHBondContact O-CB 3.45Å; R325-Y329 PolarHBondContact O-N 3.02Å; V326-Y329 WeakPolarHBondContact O-CB 3.41Å; V326-Y329 PolarHBondContact O-N 3.3Å; K327-Y329 VanDerWaalsContact C-N 3.3Å; K327-Y329 PolarHBondContact O-N 3.37Å; Y329-K332 PolarHBondContact O-N 2.81Å; Y329-T333 HydrophobicContact CD2-CG2 4.19Å; Y329-T333 HydrophobicContact CE1-CG2 4.45Å; Y329-T333 HydrophobicContact CE2-CG2 3.84Å; Y329-T333 WeakPolarHBondContact O-CB 3.35Å; Y329-T333 WeakPolarHBondContact O-CG2 3.38Å; Y329-T333 PolarHBondContact O-N 3.3Å; Y329-T333 VanDerWaalsContact O-N 3.08Å; Y329-T333 PolarHBondContact O-OG1 3.46Å
330L93.9Very high88.4Confident18 Ų1869.4 Ų69.49%0.09436%0.364CS..Hα-helixtrans-65.7-45177.9-70.6174.1000111Y196 F305 V326 K327 K332 T333 A334Y196-L330 HydrophobicContact CD1-CD1 4Å; Y196-L330 HydrophobicContact CE1-CD1 3.56Å; F305-L330 HydrophobicContact CE2-CD1 4.37Å; F305-L330 HydrophobicContact CE2-CD2 3.93Å; F305-L330 HydrophobicContact CE2-CG 4.42Å; F305-L330 HydrophobicContact CZ-CD2 3.84Å; F305-L330 HydrophobicContact CZ-CG 4.41Å; V326-L330 HydrophobicContact CG1-CD1 3.92Å; V326-L330 HydrophobicContact CG1-CG 4.38Å; V326-L330 WeakPolarHBondContact O-CG 3.48Å; V326-L330 PolarHBondContact O-N 2.87Å; K327-L330 PolarHBondContact O-N 3.26Å; L330-K332 VanDerWaalsContact C-N 3.34Å; L330-K332 PolarHBondContact O-N 3.04Å; L330-T333 CarbonylContact O-C 3.56Å; L330-T333 PolarHBondContact O-N 2.74Å; L330-T333 VanDerWaalsContact O-N 3.11Å; L330-A334 PolarHBondContact O-N 3.04Å
331E92.9Very high88.5Confident140 Ų14070 Ų7065%0.65437%0.368SS*.Hα-helixtrans-55.7-48174.1-72.9169.4-171.500111.8K327 T333K327-E331 WeakPolarHBondContact O-CG 3.26Å; K327-E331 PolarHBondContact O-N 3.39Å; E331-T333 VanDerWaalsContact C-N 3.25Å; E331-T333 PolarHBondContact O-N 2.74Å
332K90.9Very high88.6Confident161 Ų16166.5 Ų66.570%0.735%0.354SS*.Hα-helixtrans-64.7-27179.1-174.6177.4177.8-176.50113.4L328 Y329 L330L328-K332 WeakPolarHBondContact O-CB 3.49Å; L328-K332 PolarHBondContact O-N 3.45Å; Y329-K332 PolarHBondContact O-N 2.81Å; L330-K332 VanDerWaalsContact C-N 3.34Å; L330-K332 PolarHBondContact O-N 3.04Å
333T88.6Confident88.6Confident5 Ų568.4 Ų68.43%0.03136%0.364CS..Hα-helixtrans-110.53.2-172.865.60000114.6K301 Y329 L330 E331 S335 H336K301-T333 WeakPolarHBondContact CE-OG1 3.33Å; K301-T333 PolarHBondContact NZ-O 3.01Å; K301-T333 PolarHBondContact NZ-OG1 2.78Å; K301-T333 VanDerWaalsContact NZ-OG1 3.08Å; Y329-T333 HydrophobicContact CD2-CG2 4.19Å; Y329-T333 HydrophobicContact CE1-CG2 4.45Å; Y329-T333 HydrophobicContact CE2-CG2 3.84Å; Y329-T333 WeakPolarHBondContact O-CB 3.35Å; Y329-T333 WeakPolarHBondContact O-CG2 3.38Å; Y329-T333 PolarHBondContact O-N 3.3Å; Y329-T333 VanDerWaalsContact O-N 3.08Å; Y329-T333 PolarHBondContact O-OG1 3.46Å; L330-T333 CarbonylContact O-C 3.56Å; L330-T333 PolarHBondContact O-N 2.74Å; L330-T333 VanDerWaalsContact O-N 3.11Å; E331-T333 VanDerWaalsContact C-N 3.25Å; E331-T333 PolarHBondContact O-N 2.74Å; T333-S335 VanDerWaalsContact C-N 3.28Å; T333-S335 PolarHBondContact O-N 3.1Å; T333-H336 PolarHBondContact O-N 3.14Å
334A84.2Confident88.6Confident52 Ų5271 Ų7143%0.4338%0.381SS..G310 helixtrans-57.2-37.1-176.700000113.3L330 H336 E337L330-A334 PolarHBondContact O-N 3.04Å; A334-H336 PolarHBondContact O-N 2.71Å; A334-E337 WeakPolarHBondContact O-CG 3.15Å; A334-E337 PolarHBondContact O-N 2.66Å
335S78.5Confident88.5Confident100 Ų10067.6 Ų67.670%0.69936%0.363SS*.G310 helixtrans-63.5-12.1178.453.30000114.6T333T333-S335 VanDerWaalsContact C-N 3.28Å; T333-S335 PolarHBondContact O-N 3.1Å
336H75.2Confident88Confident85 Ų8569.4 Ų69.439%0.39438%0.383SS..G310 helixtrans-112.117.8-175.8-60.581.9000113F233 P236 T333 A334F233-H336 HydrophobicContact CE2-CB 4.28Å; F233-H336 AromaticContact CE2-CD2 3.74Å; F233-H336 AromaticContact CE2-CE1 3.93Å; F233-H336 AromaticContact CE2-CG 3.72Å; F233-H336 AromaticContact CE2-ND1 3.85Å; F233-H336 AromaticContact CE2-NE2 3.87Å; F233-H336 HydrophobicContact CZ-CB 4.41Å; F233-H336 AromaticContact CZ-CD2 3.58Å; F233-H336 AromaticContact CZ-CG 3.93Å; F233-H336 AromaticContact CZ-NE2 3.92Å; P236-H336 VanDerWaalsContact CB-O 3.3Å; P236-H336 WeakPolarHBondContact CB-O 3.26Å; P236-H336 HydrophobicContact CG-CB 4.26Å; P236-H336 WeakPolarHBondContact CG-O 3.45Å; T333-H336 PolarHBondContact O-N 3.14Å; A334-H336 PolarHBondContact O-N 2.71Å
337E74.3Confident87.3Confident22 Ų2271.8 Ų71.810%0.10340%0.398CS..  trans-80-16.3-177.9-71.7-170.2177.400114.5R85 D200 A334 V339R85-E337 IonicContact NH2-OE2 3.75Å; D200-E337 HydrophobicContact CB-CB 4.18Å; D200-E337 HydrophobicContact CB-CG 4.37Å; A334-E337 WeakPolarHBondContact O-CG 3.15Å; A334-E337 PolarHBondContact O-N 2.66Å; E337-V339 PolarHBondContact O-N 2.77Å
338N79.3Confident86.5Confident137 Ų13776.1 Ų76.173%0.73342%0.423SS*.  trans-8284.5176.6-76.4-11.7000110.4R85R85-N338 PolarHBondContact NH1-OD1 2.8Å
339V84.2Confident85.6Confident7 Ų776.8 Ų76.84%0.04243%0.433CS..  trans-80.6130.1168.4175.30000108.4I204 K207 P236 A237 E337 T341 I342I204-V339 HydrophobicContact CD1-CB 3.68Å; I204-V339 HydrophobicContact CD1-CG1 4.15Å; I204-V339 HydrophobicContact CD1-CG2 3.55Å; K207-V339 HydrophobicContact CD-CB 4.46Å; K207-V339 HydrophobicContact CD-CG1 4.09Å; K207-V339 WeakPolarHBondContact CE-O 3.42Å; K207-V339 PolarHBondContact NZ-O 2.84Å; P236-V339 HydrophobicContact CB-CG2 3.62Å; P236-V339 HydrophobicContact CG-CG2 4.04Å; A237-V339 HydrophobicContact CB-CG1 3.8Å; A237-V339 HydrophobicContact CB-CG2 4.35Å; E337-V339 PolarHBondContact O-N 2.77Å; V339-T341 WeakPolarHBondContact CG1-O 3.38Å; V339-I342 HydrophobicContact CG1-CD1 4.02Å
340S84.2Confident84.7Confident101 Ų10180.6 Ų80.671%0.70646%0.458SS*.  trans-97.3-42.7172.353.40000111.6K207K207-S340 WeakPolarHBondContact CE-O 3.31Å
341T87.9Confident83.6Confident90 Ų9086.5 Ų86.555%0.55249%0.488SS*.SBendtrans-124.3152.6-17855.70000111.5A237 V339A237-T341 WeakPolarHBondContact CB-O 3.24Å; V339-T341 WeakPolarHBondContact CG1-O 3.38Å
342I93.2Very high83.1Confident23 Ų2385.5 Ų85.512%0.11848%0.478CS..  trans-99.3132.1174.2-61.9-65.5000108.8K207 I208 I215 A237 V239 V339K207-I342 HydrophobicContact CB-CD1 4.01Å; K207-I342 HydrophobicContact CB-CG1 3.79Å; I208-I342 HydrophobicContact CG1-CD1 4.25Å; I208-I342 HydrophobicContact CG1-CG1 4.46Å; I215-I342 HydrophobicContact CD1-CB 4.31Å; I215-I342 HydrophobicContact CD1-CG2 3.68Å; A237-I342 WeakPolarHBondContact O-CA 3.41Å; V239-I342 HydrophobicContact CB-CG2 4.23Å; V239-I342 HydrophobicContact CG1-CG2 3.72Å; V239-I342 HydrophobicContact CG2-CG2 3.49Å; V239-I342 VanDerWaalsContact CG2-CG2 3.49Å; V339-I342 HydrophobicContact CG1-CD1 4.02Å
343V93Very high82.7Confident69 Ų6986.9 Ų86.942%0.41848%0.484SS..EExtended strand (participates in β ladder)trans-113.4125.9179.6-1790000109.6A237 Q238 V239 S345A237-V343 PolarHBondContact O-N 3.32Å; Q238-V343 VanDerWaalsContact CA-O 3.29Å; Q238-V343 WeakPolarHBondContact CA-O 3.47Å; Q238-V343 HydrophobicContact CG-CB 4.31Å; V239-V343 PolarHBondContact N-O 2.87Å; V343-S345 PolarHBondContact O-N 3.14Å
344V93.9Very high82.3Confident69 Ų6987.8 Ų87.842%0.41849%0.49SS..EExtended strand (participates in β ladder)trans-81.8120.5175.8-172.30000109.4I215 V239 V241I215-V344 HydrophobicContact CB-CG2 4.12Å; I215-V344 HydrophobicContact CG1-CG2 3.8Å; I215-V344 HydrophobicContact CG2-CG2 3.82Å; V239-V344 HydrophobicContact CG2-CG2 4.17Å; V241-V344 HydrophobicContact CG2-CG1 4.24Å
345S91Very high82.2Confident14 Ų1487.7 Ų87.710%0.09849%0.486CS..EExtended strand (participates in β ladder)trans-82.2135.6172.2-65.70000110.5V239 K300 V343 T347V239-S345 PolarHBondContact O-N 3.16Å; K300-S345 VanDerWaalsContact CE-OG 3.29Å; K300-S345 WeakPolarHBondContact CE-OG 3.48Å; K300-S345 PolarHBondContact NZ-OG 3.34Å; V343-S345 PolarHBondContact O-N 3.14Å; S345-T347 PolarHBondContact O-N 2.89Å; S345-T347 PolarHBondContact O-OG1 3.31Å
346L83.6Confident82.7Confident183 Ų18387.9 Ų87.996%0.95849%0.487SS*.PPolyproline II helixtrans-60.7127.2170-66.4172.3000109.3
347T81.3Confident83.4Confident53 Ų5386.7 Ų86.733%0.32549%0.487SS..  trans-130.8128.4-180-48.60000109E240 V242 S345E240-T347 WeakPolarHBondContact CB-OG1 3.2Å; E240-T347 WeakPolarHBondContact CG-OG1 3.46Å; V242-T347 HydrophobicContact CG1-CG2 4.05Å; S345-T347 PolarHBondContact O-N 2.89Å; S345-T347 PolarHBondContact O-OG1 3.31Å
348L78.8Confident84.3Confident150 Ų15090 Ų9079%0.78551%0.506SS*.  trans-72135.6177.7-69.5173.4000110.1T350L348-T350 PolarHBondContact O-N 2.99Å; L348-T350 PolarHBondContact O-OG1 3.43Å
349P74.6Confident84.9Confident125 Ų12584.1 Ų84.181%0.81248%0.477SS*.  trans-57117.6173.5-21.931.9000110
350T75.1Confident85.3Confident88 Ų8884.9 Ų84.954%0.5448%0.484SS..  trans-105114.2175.9-44.40000108.8L348 R352L348-T350 PolarHBondContact O-N 2.99Å; L348-T350 PolarHBondContact O-OG1 3.43Å; T350-R352 HydrophobicContact CG2-CG 4.24Å; T350-R352 PolarHBondContact O-N 3.31Å
351I71.1Confident85.7Confident143 Ų14380 Ų8073%0.73345%0.45SS*.  trans-85.3113.7174-58.2175.3000108.2
352R81.8Confident85.8Confident119 Ų11978.8 Ų78.845%0.44945%0.449SS..  trans-105.5152.2173.6-66.8-176.9178-92.10.3110.5F245 M287 T350F245-R352 HydrophobicContact CD2-CB 3.97Å; F245-R352 HydrophobicContact CE2-CB 3.52Å; F245-R352 HydrophobicContact CZ-CB 3.84Å; M287-R352 WeakPolarHBondContact CE-O 3.44Å; T350-R352 HydrophobicContact CG2-CG 4.24Å; T350-R352 PolarHBondContact O-N 3.31Å
353K82.4Confident85.5Confident190 Ų19079.3 Ų79.383%0.82645%0.452SS*.PPolyproline II helixtrans-93.9138.6171.1-69.1-178.1179.8177.50109.3
354T81Confident85.3Confident23 Ų2380.1 Ų80.114%0.14145%0.45CS..PPolyproline II helixtrans-63.8135.4169.5-40.80000108.9W280 N283 M287W280-T354 HydrophobicContact CE3-CG2 4.43Å; N283-T354 WeakPolarHBondContact ND2-CG2 3.47Å; M287-T354 VanDerWaalsContact CE-OG1 3.24Å; M287-T354 WeakPolarHBondContact CE-OG1 3.37Å; M287-T354 PolarHBondContact SD-OG1 3.27Å
355S82.2Confident85.1Confident50 Ų5077.6 Ų77.635%0.3543%0.433SS..PPolyproline II helixtrans-67.3163.2172.351.70000111.3W280W280-S355 WeakPolarHBondContact CH2-OG 3.14Å; W280-S355 WeakPolarHBondContact CZ3-OG 3.37Å
356S88.2Confident85.2Confident105 Ų10576.9 Ų76.973%0.73443%0.428SS*.PPolyproline II helixtrans-60.5146.1164.1-61.30000109.9
357P90.8Very high85.7Confident60 Ų6068.5 Ų68.539%0.3938%0.384SS..PPolyproline II helixtrans-68.3145.3-179.429.2-35.5000111.6Y273 N274 D275 G359Y273-P357 HydrophobicContact CE1-CB 4.05Å; Y273-P357 HydrophobicContact CE2-CB 4.47Å; N274-P357 WeakPolarHBondContact O-CB 3.44Å; D275-P357 HydrophobicContact CB-CB 3.96Å; D275-P357 VanDerWaalsContact OD2-CA 3.26Å; D275-P357 WeakPolarHBondContact OD2-CA 3.28Å; P357-G359 VanDerWaalsContact C-N 3.28Å; P357-G359 PolarHBondContact O-N 2.97Å
358N92.2Very high86.2Confident91 Ų9166 Ų6649%0.48737%0.368SS..  trans-76.1-11.9-176.3-64.3-82.8000114.1D275 Y276 N277D275-N358 PolarHBondContact OD1-ND2 3.25Å; D275-N358 PolarHBondContact OD2-N 2.74Å; D275-N358 PolarHBondContact OD2-ND2 2.94Å; Y276-N358 HydrophobicContact CD1-CB 4.13Å; Y276-N358 HydrophobicContact CE1-CB 3.74Å; N277-N358 PolarHBondContact ND2-ND2 3.46Å
359G93.4Very high86.9Confident13 Ų1358.8 Ų58.813%0.13433%0.331CS..BIsolated β-bridgetrans81.6-148-17700000113.3N274 Y276 P357 W361N274-G359 WeakPolarHBondContact O-CA 3.21Å; N274-G359 PolarHBondContact O-N 3.45Å; N274-G359 WeakPolarHBondContact OD1-CA 3.44Å; Y276-G359 PolarHBondContact N-O 3.02Å; P357-G359 VanDerWaalsContact C-N 3.28Å; P357-G359 PolarHBondContact O-N 2.97Å; G359-W361 PolarHBondContact O-N 3.2Å; G359-W361 VanDerWaalsContact O-N 3.12Å
360A91.1Very high87.9Confident23 Ų2352.9 Ų52.919%0.1929%0.292CS..SBendtrans54.922.2-174.900000114.9V157 L160 Y276V157-A360 HydrophobicContact CG1-CB 4.21Å; L160-A360 HydrophobicContact CB-CB 3.93Å; L160-A360 HydrophobicContact CD1-CB 3.95Å; Y276-A360 HydrophobicContact CD1-CB 4.01Å; Y276-A360 HydrophobicContact CG-CB 4.39Å
361W93.3Very high88.9Confident0 Ų048.7 Ų48.70%027%0.267CS..  trans-143.231.6179.5-166.3-96.3000111.2A161 K164 H165 C271 N274 G359 D366 H367 C370A161-W361 HydrophobicContact CB-CE3 3.97Å; A161-W361 HydrophobicContact CB-CZ3 4.03Å; A161-W361 VanDerWaalsContact O-CZ3 3.3Å; A161-W361 WeakPolarHBondContact O-CZ3 3.44Å; K164-W361 HydrophobicContact CB-CE3 3.97Å; K164-W361 HydrophobicContact CB-CH2 3.78Å; K164-W361 HydrophobicContact CB-CZ2 4.47Å; K164-W361 HydrophobicContact CB-CZ3 3.54Å; K164-W361 HydrophobicContact CD-CD2 3.7Å; K164-W361 HydrophobicContact CD-CE3 3.9Å; K164-W361 HydrophobicContact CD-CG 4.26Å; K164-W361 HydrophobicContact CD-CH2 4Å; K164-W361 HydrophobicContact CD-CZ2 3.84Å; K164-W361 HydrophobicContact CD-CZ3 4.06Å; K164-W361 HydrophobicContact CG-CE3 4.38Å; K164-W361 HydrophobicContact CG-CH2 3.87Å; K164-W361 HydrophobicContact CG-CZ2 4.1Å; K164-W361 HydrophobicContact CG-CZ3 4.06Å; H165-W361 AromaticContact CD2-CH2 3.67Å; H165-W361 AromaticContact CD2-CZ3 3.54Å; H165-W361 AromaticContact CE1-CH2 3.4Å; H165-W361 VanDerWaalsContact CE1-CH2 3.4Å; H165-W361 WeakPolarHBondContact CE1-CH2 3.36Å; H165-W361 AromaticContact CE1-CZ3 3.97Å; H165-W361 AromaticContact CG-CH2 3.68Å; H165-W361 AromaticContact CG-CZ3 3.95Å; H165-W361 AromaticContact ND1-CH2 3.54Å; H165-W361 AromaticContact NE2-CH2 3.49Å; H165-W361 WeakPolarHBondContact NE2-CH2 3.4Å; H165-W361 AromaticContact NE2-CZ3 3.55Å; C271-W361 PolarHBondContact O-NE1 2.91Å; N274-W361 WeakPolarHBondContact OD1-CA 3.42Å; N274-W361 PolarHBondContact OD1-N 3.37Å; N274-W361 VanDerWaalsContact OD1-N 3.14Å; N274-W361 PolarHBondContact OD1-O 3.18Å; G359-W361 PolarHBondContact O-N 3.2Å; G359-W361 VanDerWaalsContact O-N 3.12Å; W361-D366 HydrophobicContact CD2-CB 4.43Å; W361-D366 HydrophobicContact CE3-CB 4.28Å; W361-D366 HydrophobicContact CH2-CB 4.37Å; W361-D366 HydrophobicContact CZ2-CB 4.48Å; W361-D366 HydrophobicContact CZ3-CB 4.21Å; W361-H367 AromaticContact CD1-CD2 3.89Å; W361-H367 AromaticContact CD1-NE2 3.75Å; W361-H367 AromaticContact NE1-CD2 3.69Å; W361-H367 PolarHBondContact O-NE2 3.36Å; W361-C370 HydrophobicContact CH2-CB 4.32Å; W361-C370 HydrophobicContact CZ2-CB 3.81Å
362A89.4Confident89.9Confident63 Ų6343 Ų4352%0.52124%0.236SC..  trans-92-16.4-178.300000112.9N274 K364N274-A362 PolarHBondContact OD1-N 2.64Å; A362-K364 PolarHBondContact O-N 3.32Å
363D87.6Confident90.5Very high35 Ų3537.6 Ų37.619%0.18722%0.216CC..  trans-66.1126.2-178.5-169-27.1000110.3R153 R365 D366 H367R153-D363 IonicContact NH1-OD2 2.76Å; R153-D363 PolarHBondContact NH1-OD2 3.43Å; D363-R365 PolarHBondContact O-N 2.78Å; D363-R365 VanDerWaalsContact OD1-CB 3.31Å; D363-R365 WeakPolarHBondContact OD1-CB 3.31Å; D363-R365 WeakPolarHBondContact OD1-CG 3.31Å; D363-R365 PolarHBondContact OD1-N 2.99Å; D363-R365 IonicContact OD1-NE 3.61Å; D363-R365 PolarHBondContact OD1-NE 2.9Å; D363-R365 VanDerWaalsContact OD1-NE 3.16Å; D363-R365 IonicContact OD2-CZ 3.47Å; D363-R365 IonicContact OD2-NE 3.64Å; D363-R365 PolarHBondContact OD2-NE 3.02Å; D363-R365 VanDerWaalsContact OD2-NE 3.14Å; D363-R365 IonicContact OD2-NH2 3.47Å; D363-R365 PolarHBondContact OD2-NH2 3.35Å; D363-D366 HydrophobicContact CB-CB 4.49Å; D363-D366 WeakPolarHBondContact CB-OD2 3.47Å; D363-D366 WeakPolarHBondContact O-CB 3.49Å; D363-D366 PolarHBondContact O-N 3.11Å; D363-D366 VanDerWaalsContact O-N 3.15Å; D363-H367 PolarHBondContact O-CD2 2.89Å; D363-H367 PolarHBondContact O-N 2.89Å
364K87.9Confident90.9Very high86 Ų8630.1 Ų30.137%0.37419%0.185SC..Hα-helixtrans-67.4-23.5-179.4-66-57-176.4178.70112.9A362 D366 H367 L368A362-K364 PolarHBondContact O-N 3.32Å; K364-D366 VanDerWaalsContact C-N 3.35Å; K364-H367 WeakPolarHBondContact CD-ND1 2.96Å; K364-H367 PolarHBondContact NZ-ND1 2.74Å; K364-H367 PolarHBondContact O-N 3.03Å; K364-L368 WeakPolarHBondContact O-CG 3.48Å; K364-L368 PolarHBondContact O-N 3.19Å
365R90.5Very high91.2Very high15 Ų1532.4 Ų32.46%0.05719%0.193CC..Hα-helixtrans-66.3-38.5173-60.5174.7-65.9-167-1.2111.2N28 D31 V32 F130 D135 D363 H367 L368 L369N28-R365 HydrophobicContact CB-CG 3.74Å; N28-R365 WeakPolarHBondContact OD1-CG 3.31Å; D31-R365 HydrophobicContact CB-CG 4.47Å; D31-R365 WeakPolarHBondContact OD2-CD 3.5Å; D31-R365 IonicContact OD2-CZ 2.69Å; D31-R365 IonicContact OD2-NE 3.87Å; D31-R365 IonicContact OD2-NH1 2.8Å; D31-R365 PolarHBondContact OD2-NH1 3.32Å; V32-R365 HydrophobicContact CG2-CB 3.84Å; V32-R365 HydrophobicContact CG2-CG 4.32Å; F130-R365 HydrophobicContact CD2-CB 3.72Å; F130-R365 HydrophobicContact CD2-CG 4.48Å; F130-R365 HydrophobicContact CE1-CB 4.37Å; F130-R365 HydrophobicContact CE2-CB 3.36Å; F130-R365 HydrophobicContact CG-CB 4.38Å; F130-R365 HydrophobicContact CZ-CB 3.73Å; D135-R365 IonicContact OD1-CZ 3.79Å; D135-R365 IonicContact OD1-NH1 2.71Å; D135-R365 PolarHBondContact OD1-NH1 3.34Å; D135-R365 IonicContact OD2-NH1 3.05Å; D363-R365 PolarHBondContact O-N 2.78Å; D363-R365 VanDerWaalsContact OD1-CB 3.31Å; D363-R365 WeakPolarHBondContact OD1-CB 3.31Å; D363-R365 WeakPolarHBondContact OD1-CG 3.31Å; D363-R365 PolarHBondContact OD1-N 2.99Å; D363-R365 IonicContact OD1-NE 3.61Å; D363-R365 PolarHBondContact OD1-NE 2.9Å; D363-R365 VanDerWaalsContact OD1-NE 3.16Å; D363-R365 IonicContact OD2-CZ 3.47Å; D363-R365 IonicContact OD2-NE 3.64Å; D363-R365 PolarHBondContact OD2-NE 3.02Å; D363-R365 VanDerWaalsContact OD2-NE 3.14Å; D363-R365 IonicContact OD2-NH2 3.47Å; D363-R365 PolarHBondContact OD2-NH2 3.35Å; R365-H367 VanDerWaalsContact C-N 3.34Å; R365-L368 PolarHBondContact O-N 3.24Å; R365-L369 VanDerWaalsContact O-CB 3.26Å; R365-L369 WeakPolarHBondContact O-CB 3.35Å; R365-L369 PolarHBondContact O-N 3.31Å
366D92.8Very high90.7Very high0 Ų032.6 Ų32.60%020%0.195CC..Hα-helixtrans-65.5-38.2173.6-69.9-45.2000111.4R153 H165 W361 D363 K364 L369 C370R153-D366 IonicContact CZ-OD1 3.02Å; R153-D366 IonicContact CZ-OD2 3.31Å; R153-D366 IonicContact NH1-OD1 3.92Å; R153-D366 IonicContact NH1-OD2 3.28Å; R153-D366 PolarHBondContact NH1-OD2 3.17Å; R153-D366 IonicContact NH2-OD1 3.43Å; R153-D366 PolarHBondContact NH2-OD1 2.56Å; R153-D366 VanDerWaalsContact NH2-OD1 3.1Å; R153-D366 IonicContact NH2-OD2 3.99Å; R153-D366 PolarHBondContact NH2-OD2 3.45Å; H165-D366 IonicContact CD2-OD1 3.04Å; H165-D366 PolarHBondContact CE1-O 2.83Å; H165-D366 VanDerWaalsContact CE1-O 3.28Å; H165-D366 IonicContact CE1-OD1 2.71Å; H165-D366 IonicContact NE2-OD1 2.87Å; H165-D366 PolarHBondContact NE2-OD1 2.78Å; W361-D366 HydrophobicContact CD2-CB 4.43Å; W361-D366 HydrophobicContact CE3-CB 4.28Å; W361-D366 HydrophobicContact CH2-CB 4.37Å; W361-D366 HydrophobicContact CZ2-CB 4.48Å; W361-D366 HydrophobicContact CZ3-CB 4.21Å; D363-D366 HydrophobicContact CB-CB 4.49Å; D363-D366 WeakPolarHBondContact CB-OD2 3.47Å; D363-D366 WeakPolarHBondContact O-CB 3.49Å; D363-D366 PolarHBondContact O-N 3.11Å; D363-D366 VanDerWaalsContact O-N 3.15Å; K364-D366 VanDerWaalsContact C-N 3.35Å; D366-L369 PolarHBondContact O-N 3.08Å; D366-C370 WeakPolarHBondContact O-CB 3.04Å; D366-C370 PolarHBondContact O-N 3.22Å
367H93.5Very high89.1Confident6 Ų632.7 Ų32.73%0.02819%0.191CC..Hα-helixtrans-63.9-46.8178-60178.5000111.3L17 C271 T272 W361 D363 K364 R365 C370 L371L17-H367 HydrophobicContact CD1-CB 3.86Å; C271-H367 PolarHBondContact O-CD2 2.83Å; T272-H367 HydrophobicContact CG2-CB 4.48Å; W361-H367 AromaticContact CD1-CD2 3.89Å; W361-H367 AromaticContact CD1-NE2 3.75Å; W361-H367 AromaticContact NE1-CD2 3.69Å; W361-H367 PolarHBondContact O-NE2 3.36Å; D363-H367 PolarHBondContact O-CD2 2.89Å; D363-H367 PolarHBondContact O-N 2.89Å; K364-H367 WeakPolarHBondContact CD-ND1 2.96Å; K364-H367 PolarHBondContact NZ-ND1 2.74Å; K364-H367 PolarHBondContact O-N 3.03Å; R365-H367 VanDerWaalsContact C-N 3.34Å; H367-C370 PolarHBondContact O-N 3.4Å; H367-L371 PolarHBondContact O-N 3.38Å
368L92Very high89.1Confident0 Ų031.4 Ų31.40%018%0.181CC..Hα-helixtrans-63.9-46.1177.2-72.4172.6000111.7A12 L17 N28 A29 V32 K364 R365 C370 L371 W372A12-L368 HydrophobicContact CB-CD2 3.55Å; L17-L368 HydrophobicContact CD1-CD2 3.92Å; L17-L368 HydrophobicContact CD1-CG 4.38Å; N28-L368 HydrophobicContact CB-CD1 4.34Å; A29-L368 HydrophobicContact CB-CD1 4.45Å; V32-L368 HydrophobicContact CG2-CB 4.39Å; K364-L368 WeakPolarHBondContact O-CG 3.48Å; K364-L368 PolarHBondContact O-N 3.19Å; R365-L368 PolarHBondContact O-N 3.24Å; L368-C370 VanDerWaalsContact C-N 3.34Å; L368-C370 PolarHBondContact O-N 3.03Å; L368-L371 PolarHBondContact O-N 3.1Å; L368-W372 WeakPolarHBondContact O-CB 3.32Å; L368-W372 PolarHBondContact O-N 2.66Å
369L93.9Very high88.9Confident0 Ų028.2 Ų28.20%017%0.165CC..Hα-helixtrans-63.2-40.6179.2176.860.4000112V32 L36 L122 F130 R365 D366 L371 W372 Y373V32-L369 HydrophobicContact CG1-CB 4.16Å; V32-L369 HydrophobicContact CG1-CD1 4.22Å; L36-L369 HydrophobicContact CD2-CD1 4.23Å; L122-L369 HydrophobicContact CD1-CD1 3.36Å; L122-L369 HydrophobicContact CD1-CD2 3.6Å; L122-L369 HydrophobicContact CD1-CG 4.06Å; F130-L369 HydrophobicContact CE1-CB 4.41Å; F130-L369 HydrophobicContact CE1-CD2 3.8Å; F130-L369 HydrophobicContact CZ-CB 4.06Å; F130-L369 HydrophobicContact CZ-CD2 3.62Å; F130-L369 HydrophobicContact CZ-CG 4.47Å; R365-L369 VanDerWaalsContact O-CB 3.26Å; R365-L369 WeakPolarHBondContact O-CB 3.35Å; R365-L369 PolarHBondContact O-N 3.31Å; D366-L369 PolarHBondContact O-N 3.08Å; L369-L371 VanDerWaalsContact C-N 3.32Å; L369-L371 PolarHBondContact O-N 3.05Å; L369-W372 WeakPolarHBondContact O-CB 3.02Å; L369-W372 PolarHBondContact O-N 2.85Å; L369-Y373 HydrophobicContact CD1-CE1 3.82Å; L369-Y373 HydrophobicContact CD1-CE2 4.38Å; L369-Y373 WeakPolarHBondContact CD2-OH 3.36Å; L369-Y373 HydrophobicContact CG-CE1 4.34Å; L369-Y373 HydrophobicContact CG-CE2 4.04Å; L369-Y373 WeakPolarHBondContact CG-OH 3.26Å; L369-Y373 VanDerWaalsContact O-CD2 3.28Å; L369-Y373 WeakPolarHBondContact O-CD2 3.19Å; L369-Y373 WeakPolarHBondContact O-CE2 3.47Å; L369-Y373 PolarHBondContact O-N 3.06Å
370C96.2Very high88.7Confident0 Ų029.1 Ų29.10%017%0.167CC..Hα-helixtrans-60-41.9176.4175.30000112.2W168 C271 W361 D366 H367 L368W168-C370 VanDerWaalsContact CD1-O 3.3Å; W168-C370 VanDerWaalsContact CD1-SG 3.56Å; W168-C370 PolarHBondContact NE1-O 2.95Å; C271-C370 WeakPolarHBondContact CA-SG 3.36Å; C271-C370 HydrophobicContact CB-CB 3.63Å; C271-C370 WeakPolarHBondContact CB-SG 3.12Å; C271-C370 WeakPolarHBondContact SG-CB 2.98Å; C271-C370 CovalentContact SG-SG 2.05Å; C271-C370 PolarHBondContact SG-SG 3.36Å; W361-C370 HydrophobicContact CH2-CB 4.32Å; W361-C370 HydrophobicContact CZ2-CB 3.81Å; D366-C370 WeakPolarHBondContact O-CB 3.04Å; D366-C370 PolarHBondContact O-N 3.22Å; H367-C370 PolarHBondContact O-N 3.4Å; L368-C370 VanDerWaalsContact C-N 3.34Å; L368-C370 PolarHBondContact O-N 3.03Å
371L95.2Very high88.5Confident0 Ų029.4 Ų29.40%017%0.165CC..Hα-helixtrans-72-37175.9-69.6176000112.4I11 Y15 L17 A267 C271 H367 L368 L369 Y373 L374 H375I11-L371 HydrophobicContact CG2-CB 3.73Å; I11-L371 HydrophobicContact CG2-CD1 4.14Å; Y15-L371 HydrophobicContact CD1-CD1 3.88Å; Y15-L371 HydrophobicContact CD1-CD2 3.68Å; Y15-L371 HydrophobicContact CD1-CG 4.46Å; Y15-L371 HydrophobicContact CD2-CD1 3.72Å; Y15-L371 HydrophobicContact CD2-CD2 4.31Å; Y15-L371 HydrophobicContact CE1-CD2 3.6Å; Y15-L371 HydrophobicContact CE2-CD1 4.36Å; Y15-L371 HydrophobicContact CE2-CD2 4.23Å; Y15-L371 HydrophobicContact CG-CD1 3.43Å; Y15-L371 VanDerWaalsContact CG-CD1 3.43Å; Y15-L371 HydrophobicContact CG-CD2 4.04Å; Y15-L371 HydrophobicContact CG-CG 4.36Å; L17-L371 HydrophobicContact CD1-CD1 3.29Å; L17-L371 HydrophobicContact CD1-CG 4.37Å; L17-L371 HydrophobicContact CD2-CD1 4.48Å; L17-L371 HydrophobicContact CG-CD1 3.89Å; A267-L371 HydrophobicContact CB-CD2 4.27Å; C271-L371 HydrophobicContact CB-CD2 4Å; C271-L371 HydrophobicContact CB-CG 3.97Å; H367-L371 PolarHBondContact O-N 3.38Å; L368-L371 PolarHBondContact O-N 3.1Å; L369-L371 VanDerWaalsContact C-N 3.32Å; L369-L371 PolarHBondContact O-N 3.05Å; L371-Y373 PolarHBondContact O-N 3.2Å; L371-L374 WeakPolarHBondContact O-CB 3.04Å; L371-L374 PolarHBondContact O-N 3.11Å; L371-H375 PolarHBondContact O-CD2 2.78Å
372W93.2Very high88.2Confident23 Ų2331.3 Ų31.39%0.08718%0.176CC..Hα-helixtrans-50.8-42.2178.6171.9-94.6000112.3T4 R7 L8 I11 L36 L368 L369 L374 H375 S376T4-W372 HydrophobicContact CG2-CH2 3.8Å; T4-W372 HydrophobicContact CG2-CZ2 4.11Å; T4-W372 HydrophobicContact CG2-CZ3 4.32Å; R7-W372 HydrophobicContact CB-CH2 4.19Å; R7-W372 HydrophobicContact CB-CZ3 3.65Å; L8-W372 HydrophobicContact CD2-CB 4.12Å; L8-W372 HydrophobicContact CD2-CD2 4.13Å; L8-W372 HydrophobicContact CD2-CE3 3.55Å; L8-W372 HydrophobicContact CD2-CG 4.37Å; L8-W372 HydrophobicContact CD2-CZ3 4.31Å; L8-W372 HydrophobicContact CG-CE3 3.76Å; L8-W372 HydrophobicContact CG-CZ3 4.01Å; I11-W372 HydrophobicContact CD1-CE3 3.73Å; I11-W372 HydrophobicContact CD1-CZ3 4.28Å; L36-W372 HydrophobicContact CD1-CD2 3.58Å; L36-W372 VanDerWaalsContact CD1-CE2 3.43Å; L36-W372 HydrophobicContact CD1-CE3 4.2Å; L36-W372 HydrophobicContact CD1-CG 3.8Å; L36-W372 HydrophobicContact CD1-CZ2 3.94Å; L36-W372 HydrophobicContact CD2-CG 4.49Å; L368-W372 WeakPolarHBondContact O-CB 3.32Å; L368-W372 PolarHBondContact O-N 2.66Å; L369-W372 WeakPolarHBondContact O-CB 3.02Å; L369-W372 PolarHBondContact O-N 2.85Å; W372-L374 PolarHBondContact O-N 3.05Å; W372-L374 VanDerWaalsContact O-N 3.09Å; W372-H375 CarbonylContact O-C 3.55Å; W372-H375 PolarHBondContact O-N 3.11Å; W372-S376 VanDerWaalsContact CE2-CB 3.46Å; W372-S376 WeakPolarHBondContact O-CB 3.43Å; W372-S376 PolarHBondContact O-N 2.98Å; W372-S376 PolarHBondContact O-OG 2.8Å
373Y93.1Very high88.1Confident6 Ų629.1 Ų29.12%0.02415%0.153CC..Hα-helixtrans-58.6-25.5-179.1-57.7-51.2000114.5Y120 L122 H165 W168 W169 I172 L369 L371 H375Y120-Y373 PolarHBondContact OH-OH 2.79Å; L122-Y373 HydrophobicContact CD1-CE1 4.23Å; H165-Y373 HydrophobicContact CB-CE2 4.39Å; H165-Y373 AromaticContact ND1-CE2 3.54Å; W168-Y373 AromaticContact CD1-CD2 3.93Å; W169-Y373 HydrophobicContact CB-CD2 4.3Å; W169-Y373 HydrophobicContact CB-CE2 4.34Å; W169-Y373 HydrophobicContact CB-CG 4.44Å; W169-Y373 AromaticContact CD1-CD1 3.77Å; I172-Y373 VanDerWaalsContact CD1-CB 3.48Å; L369-Y373 HydrophobicContact CD1-CE1 3.82Å; L369-Y373 HydrophobicContact CD1-CE2 4.38Å; L369-Y373 WeakPolarHBondContact CD2-OH 3.36Å; L369-Y373 HydrophobicContact CG-CE1 4.34Å; L369-Y373 HydrophobicContact CG-CE2 4.04Å; L369-Y373 WeakPolarHBondContact CG-OH 3.26Å; L369-Y373 VanDerWaalsContact O-CD2 3.28Å; L369-Y373 WeakPolarHBondContact O-CD2 3.19Å; L369-Y373 WeakPolarHBondContact O-CE2 3.47Å; L369-Y373 PolarHBondContact O-N 3.06Å; L371-Y373 PolarHBondContact O-N 3.2Å; Y373-H375 VanDerWaalsContact C-N 3.34Å
374L91.2Very high88.2Confident33 Ų3328.7 Ų28.717%0.17315%0.15CC..Hα-helixtrans-78.4-19.5176-71.4178.5000113.7W168 I172 W260 K264 A267 L371 W372W168-L374 HydrophobicContact CZ2-CD1 3.8Å; W168-L374 HydrophobicContact CZ2-CD2 3.95Å; W168-L374 HydrophobicContact CZ2-CG 3.95Å; I172-L374 HydrophobicContact CD1-CD2 3.64Å; I172-L374 HydrophobicContact CD1-CG 4.05Å; I172-L374 HydrophobicContact CG1-CD2 3.84Å; W260-L374 HydrophobicContact CZ2-CD2 4.33Å; K264-L374 HydrophobicContact CD-CD2 3.95Å; K264-L374 HydrophobicContact CG-CD1 4.36Å; K264-L374 HydrophobicContact CG-CD2 4.05Å; A267-L374 HydrophobicContact CB-CD1 3.33Å; L371-L374 WeakPolarHBondContact O-CB 3.04Å; L371-L374 PolarHBondContact O-N 3.11Å; W372-L374 PolarHBondContact O-N 3.05Å; W372-L374 VanDerWaalsContact O-N 3.09Å
375H87.1Confident88.2Confident71 Ų7124.3 Ų24.333%0.32913%0.133SC..Hα-helixtrans-112.2-11.4-173.6-70.3-98.2000112.7I11 E14 Y15 L371 W372 Y373 V377I11-H375 HydrophobicContact CD1-CB 3.64Å; I11-H375 HydrophobicContact CG1-CB 4.25Å; E14-H375 IonicContact OE1-CE1 3.45Å; E14-H375 IonicContact OE2-CE1 3.51Å; Y15-H375 AromaticContact CE2-NE2 3.34Å; Y15-H375 VanDerWaalsContact CE2-NE2 3.34Å; Y15-H375 WeakPolarHBondContact CE2-NE2 3.29Å; Y15-H375 AromaticContact CZ-NE2 3.7Å; Y15-H375 PolarHBondContact OH-NE2 3.1Å; Y15-H375 VanDerWaalsContact OH-NE2 3.15Å; L371-H375 PolarHBondContact O-CD2 2.78Å; W372-H375 CarbonylContact O-C 3.55Å; W372-H375 PolarHBondContact O-N 3.11Å; Y373-H375 VanDerWaalsContact C-N 3.34Å; H375-V377 VanDerWaalsContact C-N 3.3Å
376S72.8Confident88Confident54 Ų5425.1 Ų25.138%0.37814%0.139SC..  trans-904.4-179.669.60000113.9W372W372-S376 VanDerWaalsContact CE2-CB 3.46Å; W372-S376 WeakPolarHBondContact O-CB 3.43Å; W372-S376 PolarHBondContact O-N 2.98Å; W372-S376 PolarHBondContact O-OG 2.8Å
377V55Low87.6Confident108 Ų10827.4 Ų27.466%0.65515%0.152SC*.  trans-103.40-172.71580000110.7I172 E176 H177 H375I172-V377 HydrophobicContact CG2-CG2 3.95Å; E176-V377 HydrophobicContact CB-CG1 4.41Å; H177-V377 WeakPolarHBondContact CE1-CG1 3.44Å; H177-V377 WeakPolarHBondContact NE2-CG1 3.29Å; H177-V377 VanDerWaalsContact NE2-CG2 3.32Å; H177-V377 WeakPolarHBondContact NE2-CG2 3.48Å; H375-V377 VanDerWaalsContact C-N 3.3Å

Retrieved 377 of 377 residues in 382.2 ms (Link to these results)

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