A0A077ZLN5_TRITR Loading...

DNA repair endonuclease XPF

AlphaFold DB , UniProt , Accession A0A077ZLN5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 749 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39.4Very low81.6Confident191 Ų19161.5 Ų61.594%0.94131%0.307SS*.  01390-86.7-81.8-167.600106.4T456M1-T456 WeakPolarHBondContact CB-OG1 3.47Å; M1-T456 PolarHBondContact O-OG1 3.18Å
2P60.5Low82.6Confident54 Ų5457.3 Ų57.335%0.35129%0.287SS..PPolyproline II helixtrans-52.8151.1172.923.7-32.9000110.7R4 N69P2-R4 PolarHBondContact O-N 3.27Å; P2-N69 HydrophobicContact CB-CB 4.22Å; P2-N69 WeakPolarHBondContact CB-OD1 3.32Å
3F70.7Confident83.4Confident12 Ų1254.3 Ų54.35%0.05327%0.272CS..PPolyproline II helixtrans-55.2134.8-179.251.5-96.1000110.3Y5 W65 Y428F3-Y5 HydrophobicContact CE2-CE1 4.28Å; F3-Y5 AromaticContact CE2-CZ 3.98Å; F3-W65 HydrophobicContact CE1-CB 3.87Å; F3-W65 AromaticContact CE1-CD1 3.73Å; F3-W65 AromaticContact CE1-CD2 3.84Å; F3-W65 HydrophobicContact CE1-CD2 3.84Å; F3-W65 HydrophobicContact CE1-CE3 4.43Å; F3-W65 AromaticContact CE1-CG 3.58Å; F3-W65 HydrophobicContact CE1-CG 3.58Å; F3-W65 HydrophobicContact CZ-CB 3.88Å; F3-W65 AromaticContact CZ-CD2 3.74Å; F3-W65 HydrophobicContact CZ-CD2 3.74Å; F3-W65 AromaticContact CZ-CE3 3.87Å; F3-W65 HydrophobicContact CZ-CE3 3.87Å; F3-W65 AromaticContact CZ-CG 3.77Å; F3-W65 HydrophobicContact CZ-CG 3.77Å; F3-Y428 HydrophobicContact CB-CD1 4.21Å; F3-Y428 HydrophobicContact CB-CE1 3.81Å; F3-Y428 AromaticContact CD1-CD1 3.81Å; F3-Y428 HydrophobicContact CD1-CD1 3.81Å; F3-Y428 AromaticContact CD1-CE1 3.87Å; F3-Y428 HydrophobicContact CD1-CE1 3.87Å; F3-Y428 HydrophobicContact CG-CD1 4.18Å; F3-Y428 AromaticContact CG-CE1 3.81Å; F3-Y428 HydrophobicContact CG-CE1 3.81Å
4R84.8Confident84.2Confident177 Ų17758.6 Ų58.667%0.66830%0.302SS*.PPolyproline II helixtrans-77.4141.6-176.9-174.3-179.2175.4178.40.6110P2 R33 T454 T456P2-R4 PolarHBondContact O-N 3.27Å; R4-R33 PolarHBondContact O-NH2 2.78Å; R4-T454 PolarHBondContact N-O 2.89Å; R4-T454 VanDerWaalsContact O-CB 3.25Å; R4-T454 WeakPolarHBondContact O-CB 3.47Å; R4-T454 VanDerWaalsContact O-CG2 3.27Å; R4-T454 WeakPolarHBondContact O-CG2 3.45Å; R4-T456 HydrophobicContact CB-CG2 3.92Å
5Y89.5Confident84.7Confident16 Ų1660.6 Ų60.66%0.06331%0.31CS..PPolyproline II helixtrans-77.5141.6170-69.9-78.6000111.7F3 E9 R33 R37 E40F3-Y5 HydrophobicContact CE2-CE1 4.28Å; F3-Y5 AromaticContact CE2-CZ 3.98Å; Y5-E9 VanDerWaalsContact CA-OE2 3.22Å; Y5-E9 WeakPolarHBondContact CA-OE2 3.43Å; Y5-E9 HydrophobicContact CD1-CB 4.29Å; Y5-E9 VanDerWaalsContact CD1-OE2 3.31Å; Y5-E9 WeakPolarHBondContact CD1-OE2 3.49Å; Y5-R33 HydrophobicContact CE1-CB 4.34Å; Y5-R37 HydrophobicContact CD1-CB 4.31Å; Y5-R37 HydrophobicContact CD1-CG 4.36Å; Y5-R37 HydrophobicContact CE1-CB 3.68Å; Y5-R37 HydrophobicContact CE1-CG 4.13Å; Y5-R37 PolarHBondContact OH-N 3.19Å; Y5-E40 PolarHBondContact OH-OE1 2.84Å; Y5-E40 VanDerWaalsContact OH-OE1 3.07Å
6L90.9Very high85.2Confident11 Ų1156.9 Ų56.96%0.05829%0.291CS..PPolyproline II helixtrans-76.3151.2175.9-61.2174.6000110Y8 E9 D10 L193 V450 L453 T454L6-Y8 HydrophobicContact CB-CD1 3.84Å; L6-Y8 HydrophobicContact CB-CE1 3.67Å; L6-Y8 HydrophobicContact CD1-CD1 4.38Å; L6-Y8 HydrophobicContact CD1-CE1 3.43Å; L6-Y8 VanDerWaalsContact CD1-CE1 3.43Å; L6-Y8 HydrophobicContact CG-CE1 4.17Å; L6-Y8 PolarHBondContact O-N 3.45Å; L6-Y8 VanDerWaalsContact O-N 3.13Å; L6-E9 HydrophobicContact CB-CG 4.07Å; L6-E9 PolarHBondContact N-OE2 2.75Å; L6-E9 WeakPolarHBondContact O-CA 3.39Å; L6-E9 VanDerWaalsContact O-CB 3.3Å; L6-E9 WeakPolarHBondContact O-CB 3.22Å; L6-E9 PolarHBondContact O-N 3.32Å; L6-D10 PolarHBondContact O-N 2.96Å; L6-L193 HydrophobicContact CD1-CD2 4.25Å; L6-V450 HydrophobicContact CD1-CG1 4.28Å; L6-L453 HydrophobicContact CD2-CB 3.64Å; L6-T454 HydrophobicContact CD1-CG2 3.97Å; L6-T454 HydrophobicContact CD2-CG2 3.7Å; L6-T454 HydrophobicContact CG-CG2 3.57Å
7P90.4Very high85.6Confident85 Ų8560.2 Ų60.255%0.55230%0.303SS*.Hα-helixtrans-54.7-37.6-177.1-27.734.9000114.2E9 D10 N11P7-E9 VanDerWaalsContact C-N 3.3Å; P7-E9 PolarHBondContact O-N 3.31Å; P7-D10 PolarHBondContact O-N 3.06Å; P7-N11 PolarHBondContact O-N 3.45Å; P7-N11 PolarHBondContact O-OD1 3.23Å
8Y92.5Very high85.9Confident3 Ų361.9 Ų61.91%0.01232%0.322CS..Hα-helixtrans-70.4-27177.175.6-98000112.7L6 N11 V12 S30 L182L6-Y8 HydrophobicContact CB-CD1 3.84Å; L6-Y8 HydrophobicContact CB-CE1 3.67Å; L6-Y8 HydrophobicContact CD1-CD1 4.38Å; L6-Y8 HydrophobicContact CD1-CE1 3.43Å; L6-Y8 VanDerWaalsContact CD1-CE1 3.43Å; L6-Y8 HydrophobicContact CG-CE1 4.17Å; L6-Y8 PolarHBondContact O-N 3.45Å; L6-Y8 VanDerWaalsContact O-N 3.13Å; Y8-N11 PolarHBondContact O-N 3.36Å; Y8-V12 VanDerWaalsContact O-CG2 3.24Å; Y8-V12 WeakPolarHBondContact O-CG2 3.38Å; Y8-V12 PolarHBondContact O-N 3.42Å; Y8-S30 WeakPolarHBondContact OH-CB 3.39Å; Y8-S30 PolarHBondContact OH-OG 3.28Å; Y8-L182 HydrophobicContact CD2-CD2 4.23Å; Y8-L182 HydrophobicContact CE2-CD2 4Å
9E93.6Very high86.1Confident0 Ų060.4 Ų60.40%031%0.313CS..Hα-helixtrans-67.8-41.2176.1-62175.8140.900110.1Y5 L6 P7 V12 L13 S30 R33 L34Y5-E9 VanDerWaalsContact CA-OE2 3.22Å; Y5-E9 WeakPolarHBondContact CA-OE2 3.43Å; Y5-E9 HydrophobicContact CD1-CB 4.29Å; Y5-E9 VanDerWaalsContact CD1-OE2 3.31Å; Y5-E9 WeakPolarHBondContact CD1-OE2 3.49Å; L6-E9 HydrophobicContact CB-CG 4.07Å; L6-E9 PolarHBondContact N-OE2 2.75Å; L6-E9 WeakPolarHBondContact O-CA 3.39Å; L6-E9 VanDerWaalsContact O-CB 3.3Å; L6-E9 WeakPolarHBondContact O-CB 3.22Å; L6-E9 PolarHBondContact O-N 3.32Å; P7-E9 VanDerWaalsContact C-N 3.3Å; P7-E9 PolarHBondContact O-N 3.31Å; E9-V12 PolarHBondContact O-N 3.33Å; E9-L13 PolarHBondContact O-N 3.14Å; E9-S30 WeakPolarHBondContact OE1-CB 3.47Å; E9-S30 PolarHBondContact OE1-OG 3.08Å; E9-R33 WeakPolarHBondContact OE1-CB 3.36Å; E9-R33 IonicContact OE1-CZ 3.78Å; E9-R33 IonicContact OE1-NE 2.75Å; E9-R33 PolarHBondContact OE1-NE 3.22Å; E9-R33 IonicContact OE1-NH2 3.89Å; E9-R33 IonicContact OE2-CZ 2.65Å; E9-R33 IonicContact OE2-NE 3.32Å; E9-R33 PolarHBondContact OE2-NE 3.03Å; E9-R33 IonicContact OE2-NH2 2.7Å; E9-R33 PolarHBondContact OE2-NH2 3.44Å; E9-L34 HydrophobicContact CB-CD2 3.91Å; E9-L34 HydrophobicContact CG-CD2 4.16Å
10D92.4Very high86.5Confident54 Ų5458.3 Ų58.329%0.28930%0.302SS..Hα-helixtrans-67.9-39.8174.5-72.3-38.2000111.6L6 P7 V12 L13 V14 R37L6-D10 PolarHBondContact O-N 2.96Å; P7-D10 PolarHBondContact O-N 3.06Å; D10-V12 PolarHBondContact O-N 3.26Å; D10-L13 WeakPolarHBondContact O-CB 3.16Å; D10-L13 PolarHBondContact O-N 3.35Å; D10-V14 WeakPolarHBondContact O-CG2 3.47Å; D10-V14 PolarHBondContact O-N 2.86Å; D10-R37 IonicContact OD1-CZ 3.99Å; D10-R37 IonicContact OD1-NE 3.04Å; D10-R37 PolarHBondContact OD1-NE 2.94Å; D10-R37 IonicContact OD1-NH2 2.99Å; D10-R37 PolarHBondContact OD1-NH2 2.79Å
11N92.9Very high87Confident73 Ų7355.5 Ų55.539%0.3929%0.288SS..Hα-helixtrans-59.4-47.1174.3-72.7-4.2000111.5P7 Y8 L13 V14 E15 E188P7-N11 PolarHBondContact O-N 3.45Å; P7-N11 PolarHBondContact O-OD1 3.23Å; Y8-N11 PolarHBondContact O-N 3.36Å; N11-L13 VanDerWaalsContact C-N 3.29Å; N11-L13 PolarHBondContact O-N 3.36Å; N11-V14 PolarHBondContact O-N 2.96Å; N11-E15 WeakPolarHBondContact O-CG 3.35Å; N11-E15 PolarHBondContact O-N 3.48Å; N11-E188 PolarHBondContact ND2-OE1 3.14Å
12V93.2Very high89.7Confident11 Ų1146.4 Ų46.47%0.06724%0.243CC..Hα-helixtrans-59.6-41.8176.7170.50000110.6Y8 E9 D10 E15 T16 L23 L34 L182Y8-V12 VanDerWaalsContact O-CG2 3.24Å; Y8-V12 WeakPolarHBondContact O-CG2 3.38Å; Y8-V12 PolarHBondContact O-N 3.42Å; E9-V12 PolarHBondContact O-N 3.33Å; D10-V12 PolarHBondContact O-N 3.26Å; V12-E15 PolarHBondContact O-N 3.4Å; V12-T16 HydrophobicContact CG1-CG2 4.37Å; V12-T16 VanDerWaalsContact O-CB 3.32Å; V12-T16 WeakPolarHBondContact O-CB 3.49Å; V12-T16 VanDerWaalsContact O-CG2 3.32Å; V12-T16 WeakPolarHBondContact O-CG2 3.48Å; V12-T16 PolarHBondContact O-N 3.49Å; V12-T16 PolarHBondContact O-OG1 2.77Å; V12-L23 HydrophobicContact CG1-CD2 3.98Å; V12-L34 HydrophobicContact CB-CD2 4.04Å; V12-L34 HydrophobicContact CG1-CD2 3.92Å; V12-L182 HydrophobicContact CG2-CD1 4.41Å; V12-L182 HydrophobicContact CG2-CD2 4.5Å
13L93.5Very high91.4Very high19 Ų1943.9 Ų43.910%0.09923%0.227CC..Hα-helixtrans-59.9-47.5175.7-174.571000111.8E9 D10 N11 E15 T16 F17 R37 L41E9-L13 PolarHBondContact O-N 3.14Å; D10-L13 WeakPolarHBondContact O-CB 3.16Å; D10-L13 PolarHBondContact O-N 3.35Å; N11-L13 VanDerWaalsContact C-N 3.29Å; N11-L13 PolarHBondContact O-N 3.36Å; L13-E15 PolarHBondContact O-N 3.23Å; L13-T16 PolarHBondContact O-N 3.31Å; L13-F17 WeakPolarHBondContact O-CA 3.43Å; L13-F17 WeakPolarHBondContact O-CB 3.28Å; L13-F17 PolarHBondContact O-N 3.41Å; L13-R37 HydrophobicContact CB-CG 4.49Å; L13-R37 HydrophobicContact CD1-CG 3.96Å; L13-R37 HydrophobicContact CD2-CG 3.76Å; L13-R37 HydrophobicContact CG-CG 4.28Å; L13-L41 HydrophobicContact CD1-CD1 3.71Å; L13-L41 HydrophobicContact CD1-CG 4.38Å
14V94.1Very high92.6Very high114 Ų11443.3 Ų43.369%0.69122%0.224SC*.Hα-helixtrans-61.4-45.3-179.9171.20000110.8D10 N11 T16D10-V14 WeakPolarHBondContact O-CG2 3.47Å; D10-V14 PolarHBondContact O-N 2.86Å; N11-V14 PolarHBondContact O-N 2.96Å; V14-T16 VanDerWaalsContact C-N 3.29Å; V14-T16 PolarHBondContact O-N 2.95Å
15E91.8Very high93.1Very high89 Ų8935 Ų3542%0.41619%0.192SC..Hα-helixtrans-63.5-35.9177.8-73.5-168.3-168.300112.9N11 V12 L13 E19 R180N11-E15 WeakPolarHBondContact O-CG 3.35Å; N11-E15 PolarHBondContact O-N 3.48Å; V12-E15 PolarHBondContact O-N 3.4Å; L13-E15 PolarHBondContact O-N 3.23Å; E15-E19 WeakPolarHBondContact O-CG 3.35Å; E15-R180 IonicContact OE2-CZ 3.56Å; E15-R180 IonicContact OE2-NH1 2.61Å; E15-R180 PolarHBondContact OE2-NH1 3.04Å; E15-R180 IonicContact OE2-NH2 3.31Å
16T93.3Very high93.3Very high2 Ų234.2 Ų34.21%0.01219%0.189CC..Hα-helixtrans-99.4-2.3-171.4600000113.9V12 L13 V14 S18 E19 F21 H38 K151 R180V12-T16 HydrophobicContact CG1-CG2 4.37Å; V12-T16 VanDerWaalsContact O-CB 3.32Å; V12-T16 WeakPolarHBondContact O-CB 3.49Å; V12-T16 VanDerWaalsContact O-CG2 3.32Å; V12-T16 WeakPolarHBondContact O-CG2 3.48Å; V12-T16 PolarHBondContact O-N 3.49Å; V12-T16 PolarHBondContact O-OG1 2.77Å; L13-T16 PolarHBondContact O-N 3.31Å; V14-T16 VanDerWaalsContact C-N 3.29Å; V14-T16 PolarHBondContact O-N 2.95Å; T16-S18 PolarHBondContact O-N 3.08Å; T16-E19 PolarHBondContact O-N 3.41Å; T16-F21 VanDerWaalsContact CB-CE1 3.42Å; T16-F21 HydrophobicContact CG2-CD1 4.03Å; T16-F21 HydrophobicContact CG2-CD2 4.07Å; T16-F21 HydrophobicContact CG2-CE1 4.1Å; T16-F21 HydrophobicContact CG2-CE2 4.17Å; T16-F21 HydrophobicContact CG2-CG 4.01Å; T16-F21 HydrophobicContact CG2-CZ 4.15Å; T16-H38 PolarHBondContact OG1-CE1 3.01Å; T16-H38 PolarHBondContact OG1-NE2 3.31Å; T16-H38 VanDerWaalsContact OG1-NE2 3.11Å; T16-K151 PolarHBondContact O-NZ 3.3Å; T16-R180 HydrophobicContact CG2-CG 4.42Å
17F92.3Very high93.3Very high113 Ų11336.6 Ų36.650%0.49620%0.199SC..THydrogen-bonded Turntrans-52.9-52.1-171.2179.4-101.9000113.6L13 L41 K151L13-F17 WeakPolarHBondContact O-CA 3.43Å; L13-F17 WeakPolarHBondContact O-CB 3.28Å; L13-F17 PolarHBondContact O-N 3.41Å; F17-L41 HydrophobicContact CD2-CD1 3.7Å; F17-L41 HydrophobicContact CE2-CD1 3.85Å; F17-L41 HydrophobicContact CE2-CD2 4.2Å; F17-K151 PolarHBondContact O-NZ 3.44Å
18S90.1Very high93.1Very high91 Ų9132.5 Ų32.564%0.63617%0.173SC*.THydrogen-bonded Turntrans-105.111.8-177.561.40000114T16T16-S18 PolarHBondContact O-N 3.08Å
19E90.9Very high93Very high33 Ų3332.4 Ų32.415%0.15417%0.173CC..  trans-99.5147.4-174.6-56.3-166.5147.900111.9E15 T16 F21 K178 R180E15-E19 WeakPolarHBondContact O-CG 3.35Å; T16-E19 PolarHBondContact O-N 3.41Å; E19-F21 HydrophobicContact CB-CB 4.5Å; E19-F21 WeakPolarHBondContact O-CD1 3.38Å; E19-K178 VanDerWaalsContact CD-CD 3.45Å; E19-K178 WeakPolarHBondContact OE1-CD 3.48Å; E19-K178 WeakPolarHBondContact OE1-CE 3.18Å; E19-K178 IonicContact OE1-NZ 3.65Å; E19-K178 PolarHBondContact OE1-NZ 3.29Å; E19-K178 WeakPolarHBondContact OE2-CD 3.41Å; E19-K178 IonicContact OE2-NZ 3.94Å; E19-R180 IonicContact OE1-NH2 3.2Å; E19-R180 PolarHBondContact OE1-NH2 3.02Å; E19-R180 IonicContact OE2-CZ 3.21Å; E19-R180 IonicContact OE2-NE 3.73Å; E19-R180 IonicContact OE2-NH2 3.9Å; E19-R180 PolarHBondContact OE2-NH2 2.84Å
20N94Very high92.8Very high17 Ų1732.4 Ų32.49%0.09117%0.173CC..  trans-83.7108.2159.7-60.2-56.9000107.8L149 V150 D177 K178N20-L149 VanDerWaalsContact OD1-CA 3.29Å; N20-L149 WeakPolarHBondContact OD1-CA 3.11Å; N20-V150 CarbonylContact C-O 3.57Å; N20-V150 VanDerWaalsContact CA-O 3.25Å; N20-V150 WeakPolarHBondContact CA-O 3.46Å; N20-V150 PolarHBondContact OD1-N 3.33Å; N20-D177 HydrophobicContact CB-CB 4.37Å; N20-D177 PolarHBondContact ND2-OD2 2.86Å; N20-D177 PolarHBondContact O-N 3.12Å; N20-K178 PolarHBondContact O-N 3.11Å; N20-K178 VanDerWaalsContact O-N 3.12Å
21F95.7Very high92.9Very high0 Ų029.9 Ų29.90%016%0.159CC..EExtended strand (participates in β ladder)trans-135.5153.9-170.274.2-88.8000113.7T16 E19 L23 H38 V150 K151 A152 F153 V176 K178T16-F21 VanDerWaalsContact CB-CE1 3.42Å; T16-F21 HydrophobicContact CG2-CD1 4.03Å; T16-F21 HydrophobicContact CG2-CD2 4.07Å; T16-F21 HydrophobicContact CG2-CE1 4.1Å; T16-F21 HydrophobicContact CG2-CE2 4.17Å; T16-F21 HydrophobicContact CG2-CG 4.01Å; T16-F21 HydrophobicContact CG2-CZ 4.15Å; E19-F21 HydrophobicContact CB-CB 4.5Å; E19-F21 WeakPolarHBondContact O-CD1 3.38Å; F21-L23 HydrophobicContact CD2-CB 3.73Å; F21-L23 HydrophobicContact CE2-CB 3.51Å; F21-H38 AromaticContact CE1-NE2 3.87Å; F21-H38 AromaticContact CZ-NE2 3.67Å; F21-V150 PolarHBondContact N-O 2.83Å; F21-V150 VanDerWaalsContact N-O 3.07Å; F21-K151 HydrophobicContact CD1-CB 4.41Å; F21-K151 HydrophobicContact CD1-CG 4.09Å; F21-K151 HydrophobicContact CE1-CB 3.74Å; F21-K151 HydrophobicContact CE1-CD 3.77Å; F21-K151 HydrophobicContact CE1-CG 3.5Å; F21-K151 VanDerWaalsContact CE1-CG 3.5Å; F21-K151 HydrophobicContact CZ-CB 3.97Å; F21-K151 HydrophobicContact CZ-CD 4.37Å; F21-K151 HydrophobicContact CZ-CG 4.21Å; F21-A152 PolarHBondContact O-N 3.1Å; F21-F153 HydrophobicContact CE2-CD1 4.49Å; F21-F153 AromaticContact CE2-CE1 3.95Å; F21-F153 HydrophobicContact CE2-CE1 3.95Å; F21-F153 HydrophobicContact CE2-CE2 4.25Å; F21-F153 AromaticContact CE2-CZ 3.83Å; F21-F153 HydrophobicContact CE2-CZ 3.83Å; F21-F153 AromaticContact CZ-CE1 3.97Å; F21-F153 HydrophobicContact CZ-CE1 3.97Å; F21-F153 AromaticContact CZ-CE2 3.94Å; F21-F153 HydrophobicContact CZ-CE2 3.94Å; F21-F153 AromaticContact CZ-CZ 3.45Å; F21-F153 HydrophobicContact CZ-CZ 3.45Å; F21-F153 VanDerWaalsContact CZ-CZ 3.45Å; F21-V176 WeakPolarHBondContact O-CG1 3.26Å; F21-K178 CarbonylContact C-O 3.56Å; F21-K178 VanDerWaalsContact CA-O 3.23Å; F21-K178 WeakPolarHBondContact CA-O 3.48Å
22L95.8Very high92.9Very high0 Ų026.6 Ų26.60%014%0.141CC..EExtended strand (participates in β ladder)trans-110.3114161.5169.962.6000109I24 A125 A152 F160 L167 A170 L174 V176 K178 V179 R180L22-I24 HydrophobicContact CD1-CG1 4.26Å; L22-I24 HydrophobicContact CD2-CD1 3.97Å; L22-I24 HydrophobicContact CD2-CG1 4.32Å; L22-I24 HydrophobicContact CG-CD1 4.17Å; L22-I24 HydrophobicContact CG-CG1 4.02Å; L22-A125 HydrophobicContact CD1-CB 3.73Å; L22-A152 CarbonylContact C-O 3.56Å; L22-A152 WeakPolarHBondContact CA-O 3.36Å; L22-A152 HydrophobicContact CB-CB 4.43Å; L22-A152 HydrophobicContact CD1-CB 3.88Å; L22-F160 HydrophobicContact CD1-CZ 4.34Å; L22-F160 HydrophobicContact CD2-CD1 4.42Å; L22-F160 HydrophobicContact CD2-CE1 3.9Å; L22-F160 HydrophobicContact CD2-CZ 4.3Å; L22-L167 HydrophobicContact CD2-CD1 4.49Å; L22-A170 HydrophobicContact CD2-CB 4.35Å; L22-L174 HydrophobicContact CD1-CD1 4.06Å; L22-L174 HydrophobicContact CD2-CD1 4.17Å; L22-V176 HydrophobicContact CB-CG2 3.93Å; L22-K178 PolarHBondContact N-O 3.31Å; L22-V179 CarbonylContact O-C 3.5Å; L22-V179 WeakPolarHBondContact O-CA 3.49Å; L22-R180 PolarHBondContact O-N 3.14Å
23L96.6Very high92.9Very high2 Ų226.1 Ų26.11%0.0114%0.138CC..EExtended strand (participates in β ladder)trans-97.3120.5173.818066000109.9V12 F21 T25 L34 A152 F153 S154 R180 L182V12-L23 HydrophobicContact CG1-CD2 3.98Å; F21-L23 HydrophobicContact CD2-CB 3.73Å; F21-L23 HydrophobicContact CE2-CB 3.51Å; L23-T25 HydrophobicContact CD1-CG2 4.5Å; L23-T25 HydrophobicContact CD2-CG2 4Å; L23-T25 HydrophobicContact CG-CG2 3.87Å; L23-L34 HydrophobicContact CD2-CD1 4Å; L23-A152 PolarHBondContact N-O 2.79Å; L23-F153 HydrophobicContact CB-CD1 4.19Å; L23-F153 HydrophobicContact CD2-CD1 3.92Å; L23-F153 HydrophobicContact CD2-CE1 3.89Å; L23-S154 PolarHBondContact O-N 2.65Å; L23-R180 WeakPolarHBondContact CA-O 3.47Å; L23-R180 HydrophobicContact CD1-CB 3.84Å; L23-L182 HydrophobicContact CD1-CB 4.29Å
24I96.5Very high93Very high0 Ų025.2 Ų25.20%013%0.134CC..EExtended strand (participates in β ladder)trans-110.1108.8175.8-63.7164.3000108.4L22 S154 P157 F160 L167 V179 R180 F181 L182 F489 L492L22-I24 HydrophobicContact CD1-CG1 4.26Å; L22-I24 HydrophobicContact CD2-CD1 3.97Å; L22-I24 HydrophobicContact CD2-CG1 4.32Å; L22-I24 HydrophobicContact CG-CD1 4.17Å; L22-I24 HydrophobicContact CG-CG1 4.02Å; I24-S154 CarbonylContact C-O 3.59Å; I24-S154 WeakPolarHBondContact CA-O 3.02Å; I24-P157 HydrophobicContact CG2-CB 3.96Å; I24-F160 HydrophobicContact CD1-CB 4.33Å; I24-F160 HydrophobicContact CD1-CD1 4.21Å; I24-F160 HydrophobicContact CD1-CD2 3.63Å; I24-F160 HydrophobicContact CD1-CE1 4.46Å; I24-F160 HydrophobicContact CD1-CE2 3.9Å; I24-F160 HydrophobicContact CD1-CG 3.8Å; I24-F160 HydrophobicContact CD1-CZ 4.32Å; I24-F160 HydrophobicContact CG1-CD2 4.04Å; I24-F160 HydrophobicContact CG1-CE2 3.87Å; I24-F160 HydrophobicContact CG1-CZ 4.36Å; I24-F160 HydrophobicContact CG2-CD2 4.47Å; I24-L167 HydrophobicContact CD1-CD1 3.71Å; I24-V179 HydrophobicContact CD1-CG1 4.28Å; I24-R180 PolarHBondContact N-O 3.01Å; I24-F181 HydrophobicContact CB-CD1 3.86Å; I24-F181 HydrophobicContact CB-CE1 4.16Å; I24-F181 HydrophobicContact CD1-CD1 4.3Å; I24-F181 HydrophobicContact CD1-CE1 3.7Å; I24-F181 HydrophobicContact CG1-CE1 4.46Å; I24-F181 HydrophobicContact CG2-CD1 4.3Å; I24-F181 WeakPolarHBondContact O-CA 3.48Å; I24-L182 PolarHBondContact O-N 2.91Å; I24-F489 HydrophobicContact CG2-CE1 4.07Å; I24-F489 HydrophobicContact CG2-CZ 4.32Å; I24-L492 HydrophobicContact CG2-CD1 4.38Å
25T95.6Very high93Very high1 Ų119.8 Ų19.81%0.00610%0.101CC..EExtended strand (participates in β ladder)trans-97.4154.7-178.968.90000111.3L23 Y31 L34 S154 L182L23-T25 HydrophobicContact CD1-CG2 4.5Å; L23-T25 HydrophobicContact CD2-CG2 4Å; L23-T25 HydrophobicContact CG-CG2 3.87Å; T25-Y31 HydrophobicContact CG2-CD2 4.45Å; T25-L34 HydrophobicContact CG2-CD1 4.25Å; T25-S154 PolarHBondContact N-O 3.12Å; T25-L182 CarbonylContact C-O 3.57Å; T25-L182 WeakPolarHBondContact CA-O 3.37Å; T25-L182 HydrophobicContact CG2-CB 4.26Å; T25-L182 HydrophobicContact CG2-CD2 4.44Å
26G93.3Very high93.1Very high0 Ų015.6 Ų15.60%08%0.081CC..PPolyproline II helixtrans-63.6154.6164.200000110.5G28 V29 L182G26-G28 PolarHBondContact O-N 3.39Å; G26-V29 PolarHBondContact O-N 2.99Å; G26-V29 VanDerWaalsContact O-N 3.15Å; G26-L182 PolarHBondContact N-O 3.11Å
27K90.6Very high93.1Very high61 Ų6118.7 Ų18.727%0.2659%0.093SC..THydrogen-bonded Turntrans-59.2129.5176.8-70.3177.4-178.8174.10109.6V29 R446 E485K27-V29 PolarHBondContact O-N 2.91Å; K27-R446 WeakPolarHBondContact O-CD 3.3Å; K27-R446 PolarHBondContact O-NH1 3.36Å; K27-E485 WeakPolarHBondContact CB-OE2 3.43Å; K27-E485 PolarHBondContact N-OE2 3.11Å
28G87.1Confident93.2Very high0 Ų013.3 Ų13.30%07%0.069CC..THydrogen-bonded Turntrans74.64.6177.100000115G26 S30 R446G26-G28 PolarHBondContact O-N 3.39Å; G28-S30 PolarHBondContact O-N 3.15Å; G28-R446 CarbonylContact O-C 3.53Å
29V90.6Very high93.4Very high0 Ų09 Ų90%04%0.039CC..SBendtrans-92.781.5177.6-172.70000109.1G26 K27 Y31 L182 R184 A189G26-V29 PolarHBondContact O-N 2.99Å; G26-V29 VanDerWaalsContact O-N 3.15Å; K27-V29 PolarHBondContact O-N 2.91Å; V29-Y31 PolarHBondContact O-N 2.82Å; V29-L182 HydrophobicContact CG1-CD2 4.09Å; V29-L182 HydrophobicContact CG1-CG 4.17Å; V29-R184 HydrophobicContact CG2-CB 4.08Å; V29-A189 HydrophobicContact CG1-CB 4.48Å
30S89.6Confident93.6Very high0 Ų08.2 Ų8.20%04%0.035CC..SBendtrans50.724.1171.7-76.40000117.4Y8 E9 G28 E32 R33 L34 V450Y8-S30 WeakPolarHBondContact OH-CB 3.39Å; Y8-S30 PolarHBondContact OH-OG 3.28Å; E9-S30 WeakPolarHBondContact OE1-CB 3.47Å; E9-S30 PolarHBondContact OE1-OG 3.08Å; G28-S30 PolarHBondContact O-N 3.15Å; S30-E32 PolarHBondContact O-N 3.45Å; S30-R33 PolarHBondContact O-N 3.31Å; S30-L34 WeakPolarHBondContact O-CB 3.45Å; S30-L34 VanDerWaalsContact O-CG 3.25Å; S30-L34 WeakPolarHBondContact O-CG 3.43Å; S30-L34 PolarHBondContact O-N 3.22Å; S30-V450 WeakPolarHBondContact OG-CG1 3.26Å
31Y94.1Very high93.5Very high2 Ų210.4 Ų10.41%0.0085%0.046CC..Hα-helixtrans-57.3-54.1-175.4173.2-115.2000113T25 V29 R33 F35 Y123 R124 F153 D155T25-Y31 HydrophobicContact CG2-CD2 4.45Å; V29-Y31 PolarHBondContact O-N 2.82Å; Y31-R33 VanDerWaalsContact C-N 3.29Å; Y31-R33 PolarHBondContact O-N 3.03Å; Y31-F35 PolarHBondContact O-N 3.03Å; Y31-F35 VanDerWaalsContact O-N 3.14Å; Y31-Y123 HydrophobicContact CD1-CE2 4.12Å; Y31-Y123 HydrophobicContact CE1-CD2 4.09Å; Y31-Y123 HydrophobicContact CE1-CE1 4.45Å; Y31-Y123 AromaticContact CE1-CE2 3.18Å; Y31-Y123 HydrophobicContact CE1-CE2 3.18Å; Y31-Y123 AromaticContact CE1-CZ 3.42Å; Y31-Y123 VanDerWaalsContact CE1-CZ 3.42Å; Y31-Y123 WeakPolarHBondContact CE1-OH 3.46Å; Y31-Y123 HydrophobicContact CE2-CE2 4.47Å; Y31-Y123 AromaticContact CZ-CD2 3.82Å; Y31-Y123 AromaticContact CZ-CE2 3.39Å; Y31-Y123 AromaticContact CZ-CZ 3.99Å; Y31-Y123 VanDerWaalsContact OH-CD2 3.28Å; Y31-Y123 WeakPolarHBondContact OH-CD2 3.44Å; Y31-Y123 VanDerWaalsContact OH-CE2 3.27Å; Y31-Y123 WeakPolarHBondContact OH-CE2 3.36Å; Y31-R124 PolarHBondContact OH-N 2.91Å; Y31-F153 HydrophobicContact CE2-CB 3.7Å; Y31-F153 PolarHBondContact OH-O 3.36Å; Y31-D155 HydrophobicContact CD1-CB 4.07Å; Y31-D155 HydrophobicContact CD2-CB 4.04Å; Y31-D155 HydrophobicContact CE1-CB 4.38Å; Y31-D155 HydrophobicContact CE2-CB 4.37Å; Y31-D155 HydrophobicContact CG-CB 3.88Å
32E93.2Very high93.4Very high4 Ų411.4 Ų11.42%0.0195%0.051CC..Hα-helixtrans-66.2-36-178.9-6283.1174.600110.9S30 F35 C36 F62 W65 L424 W443 Q447S30-E32 PolarHBondContact O-N 3.45Å; E32-F35 PolarHBondContact O-N 3.43Å; E32-C36 WeakPolarHBondContact O-CB 3.22Å; E32-C36 PolarHBondContact O-N 3.24Å; E32-F62 HydrophobicContact CB-CE1 4.39Å; E32-F62 WeakPolarHBondContact O-CE1 3.47Å; E32-W65 HydrophobicContact CB-CH2 3.81Å; E32-W65 HydrophobicContact CB-CZ3 3.81Å; E32-L424 HydrophobicContact CG-CD1 4.03Å; E32-W443 PolarHBondContact OE1-NE1 3.34Å; E32-Q447 PolarHBondContact OE2-NE2 3.05Å
33R92.6Very high93.1Very high0 Ų012.5 Ų12.50%06%0.057CC..Hα-helixtrans-70.8-45.5-178.5-64.5171.156.680.613.3111.9R4 Y5 E9 S30 Y31 F35 C36 R37 W65 Y428 T454R4-R33 PolarHBondContact O-NH2 2.78Å; Y5-R33 HydrophobicContact CE1-CB 4.34Å; E9-R33 WeakPolarHBondContact OE1-CB 3.36Å; E9-R33 IonicContact OE1-CZ 3.78Å; E9-R33 IonicContact OE1-NE 2.75Å; E9-R33 PolarHBondContact OE1-NE 3.22Å; E9-R33 IonicContact OE1-NH2 3.89Å; E9-R33 IonicContact OE2-CZ 2.65Å; E9-R33 IonicContact OE2-NE 3.32Å; E9-R33 PolarHBondContact OE2-NE 3.03Å; E9-R33 IonicContact OE2-NH2 2.7Å; E9-R33 PolarHBondContact OE2-NH2 3.44Å; S30-R33 PolarHBondContact O-N 3.31Å; Y31-R33 VanDerWaalsContact C-N 3.29Å; Y31-R33 PolarHBondContact O-N 3.03Å; R33-F35 VanDerWaalsContact C-N 3.28Å; R33-F35 PolarHBondContact O-N 3.06Å; R33-C36 WeakPolarHBondContact O-CB 3.33Å; R33-C36 PolarHBondContact O-N 3.37Å; R33-R37 WeakPolarHBondContact O-CB 3.3Å; R33-R37 PolarHBondContact O-N 2.82Å; R33-W65 HydrophobicContact CG-CH2 4.3Å; R33-W65 HydrophobicContact CG-CZ3 4.26Å; R33-Y428 PolarHBondContact NH1-OH 3.02Å; R33-Y428 VanDerWaalsContact NH1-OH 3.11Å; R33-T454 VanDerWaalsContact CZ-CG2 3.41Å; R33-T454 PolarHBondContact NH1-OG1 2.83Å; R33-T454 VanDerWaalsContact NH2-CG2 3.28Å
34L94.4Very high92.9Very high1 Ų116.6 Ų16.61%0.0058%0.079CC..Hα-helixtrans-61.5-37.9174.6-73.9167000111.7E9 V12 L23 T25 S30 H38 F153 L182E9-L34 HydrophobicContact CB-CD2 3.91Å; E9-L34 HydrophobicContact CG-CD2 4.16Å; V12-L34 HydrophobicContact CB-CD2 4.04Å; V12-L34 HydrophobicContact CG1-CD2 3.92Å; L23-L34 HydrophobicContact CD2-CD1 4Å; T25-L34 HydrophobicContact CG2-CD1 4.25Å; S30-L34 WeakPolarHBondContact O-CB 3.45Å; S30-L34 VanDerWaalsContact O-CG 3.25Å; S30-L34 WeakPolarHBondContact O-CG 3.43Å; S30-L34 PolarHBondContact O-N 3.22Å; L34-H38 PolarHBondContact O-N 3.13Å; L34-H38 PolarHBondContact O-ND1 3.03Å; L34-F153 HydrophobicContact CB-CE1 4.49Å; L34-L182 HydrophobicContact CD1-CD2 3.68Å
35F95.4Very high92.5Very high0 Ų020.6 Ų20.60%011%0.107CC..Hα-helixtrans-65.1-47.4173.3-169.2-98.6000111.3Y31 E32 R33 R37 H38 L39 V51 F62 L121 Y123 F153Y31-F35 PolarHBondContact O-N 3.03Å; Y31-F35 VanDerWaalsContact O-N 3.14Å; E32-F35 PolarHBondContact O-N 3.43Å; R33-F35 VanDerWaalsContact C-N 3.28Å; R33-F35 PolarHBondContact O-N 3.06Å; F35-R37 VanDerWaalsContact C-N 3.32Å; F35-R37 PolarHBondContact O-N 2.9Å; F35-H38 PolarHBondContact O-N 2.85Å; F35-L39 HydrophobicContact CD1-CD1 3.8Å; F35-L39 HydrophobicContact CD1-CG 4.1Å; F35-L39 HydrophobicContact CE1-CD1 3.71Å; F35-L39 HydrophobicContact CE1-CD2 3.96Å; F35-L39 HydrophobicContact CE1-CG 3.94Å; F35-L39 HydrophobicContact CZ-CD2 4.32Å; F35-L39 WeakPolarHBondContact O-CG 3.32Å; F35-L39 PolarHBondContact O-N 3.32Å; F35-V51 HydrophobicContact CE1-CG1 4.21Å; F35-V51 HydrophobicContact CZ-CG1 3.76Å; F35-V51 HydrophobicContact CZ-CG2 4.39Å; F35-F62 HydrophobicContact CB-CZ 4.39Å; F35-F62 HydrophobicContact CD1-CD1 4.44Å; F35-F62 HydrophobicContact CD1-CD2 4.24Å; F35-F62 AromaticContact CD1-CE1 3.89Å; F35-F62 HydrophobicContact CD1-CE1 3.89Å; F35-F62 AromaticContact CD1-CE2 3.64Å; F35-F62 HydrophobicContact CD1-CE2 3.64Å; F35-F62 AromaticContact CD1-CZ 3.45Å; F35-F62 HydrophobicContact CD1-CZ 3.45Å; F35-F62 VanDerWaalsContact CD1-CZ 3.45Å; F35-F62 HydrophobicContact CE1-CD2 4.24Å; F35-F62 AromaticContact CE1-CE2 3.85Å; F35-F62 HydrophobicContact CE1-CE2 3.85Å; F35-F62 HydrophobicContact CE1-CZ 4.15Å; F35-F62 HydrophobicContact CG-CZ 4.26Å; F35-L121 HydrophobicContact CE2-CB 4.11Å; F35-L121 HydrophobicContact CE2-CD2 4.45Å; F35-L121 HydrophobicContact CZ-CB 4.13Å; F35-Y123 HydrophobicContact CD1-CD2 4.1Å; F35-Y123 AromaticContact CD2-CD2 3.91Å; F35-Y123 HydrophobicContact CD2-CD2 3.91Å; F35-Y123 HydrophobicContact CE1-CD2 4.22Å; F35-Y123 HydrophobicContact CE2-CD2 4.05Å; F35-Y123 AromaticContact CG-CD2 3.94Å; F35-Y123 HydrophobicContact CG-CD2 3.94Å; F35-Y123 HydrophobicContact CG-CE2 4.35Å; F35-Y123 HydrophobicContact CZ-CD2 4.21Å; F35-Y123 HydrophobicContact CZ-CG 4.5Å; F35-F153 HydrophobicContact CD2-CB 4.2Å; F35-F153 HydrophobicContact CD2-CD1 4.47Å; F35-F153 AromaticContact CD2-CD2 3.54Å; F35-F153 HydrophobicContact CD2-CD2 3.54Å; F35-F153 AromaticContact CD2-CE2 3.92Å; F35-F153 HydrophobicContact CD2-CE2 3.92Å; F35-F153 AromaticContact CD2-CG 3.84Å; F35-F153 HydrophobicContact CD2-CG 3.84Å; F35-F153 AromaticContact CE2-CD2 3.9Å; F35-F153 HydrophobicContact CE2-CD2 3.9Å; F35-F153 HydrophobicContact CE2-CE2 4.3Å
36C94Very high92.3Very high0 Ų024.9 Ų24.90%014%0.137CC..Hα-helixtrans-58.7-42.8176.4-168.20000112.1E32 R33 H38 L39 E40 F62 W65E32-C36 WeakPolarHBondContact O-CB 3.22Å; E32-C36 PolarHBondContact O-N 3.24Å; R33-C36 WeakPolarHBondContact O-CB 3.33Å; R33-C36 PolarHBondContact O-N 3.37Å; C36-H38 PolarHBondContact O-N 3.09Å; C36-L39 WeakPolarHBondContact O-CA 3.49Å; C36-L39 WeakPolarHBondContact O-CB 3.44Å; C36-L39 PolarHBondContact O-N 2.97Å; C36-E40 WeakPolarHBondContact O-CG 3.24Å; C36-E40 PolarHBondContact O-N 3.19Å; C36-F62 HydrophobicContact CB-CD1 4.13Å; C36-F62 HydrophobicContact CB-CE1 4.31Å; C36-W65 HydrophobicContact CB-CE3 3.87Å; C36-W65 HydrophobicContact CB-CZ3 4.31Å
37R93.3Very high92.2Very high67 Ų6726.5 Ų26.525%0.25315%0.147SC..Hα-helixtrans-59-36.8177.6-170.152.1156.7175-1112.7Y5 D10 L13 R33 F35 E40Y5-R37 HydrophobicContact CD1-CB 4.31Å; Y5-R37 HydrophobicContact CD1-CG 4.36Å; Y5-R37 HydrophobicContact CE1-CB 3.68Å; Y5-R37 HydrophobicContact CE1-CG 4.13Å; Y5-R37 PolarHBondContact OH-N 3.19Å; D10-R37 IonicContact OD1-CZ 3.99Å; D10-R37 IonicContact OD1-NE 3.04Å; D10-R37 PolarHBondContact OD1-NE 2.94Å; D10-R37 IonicContact OD1-NH2 2.99Å; D10-R37 PolarHBondContact OD1-NH2 2.79Å; L13-R37 HydrophobicContact CB-CG 4.49Å; L13-R37 HydrophobicContact CD1-CG 3.96Å; L13-R37 HydrophobicContact CD2-CG 3.76Å; L13-R37 HydrophobicContact CG-CG 4.28Å; R33-R37 WeakPolarHBondContact O-CB 3.3Å; R33-R37 PolarHBondContact O-N 2.82Å; F35-R37 VanDerWaalsContact C-N 3.32Å; F35-R37 PolarHBondContact O-N 2.9Å; R37-E40 WeakPolarHBondContact CD-OE2 3.42Å; R37-E40 IonicContact CZ-OE2 2.68Å; R37-E40 IonicContact NE-OE2 3.57Å; R37-E40 IonicContact NH1-OE2 3.94Å; R37-E40 PolarHBondContact NH1-OE2 2.98Å
38H94.5Very high92.5Very high0 Ų023.9 Ų23.90%014%0.136CC..Hα-helixtrans-73.8-33.4173.4-79.283.3000112.9T16 F21 L34 F35 C36 E40 L41 Y42 L121 F153T16-H38 PolarHBondContact OG1-CE1 3.01Å; T16-H38 PolarHBondContact OG1-NE2 3.31Å; T16-H38 VanDerWaalsContact OG1-NE2 3.11Å; F21-H38 AromaticContact CE1-NE2 3.87Å; F21-H38 AromaticContact CZ-NE2 3.67Å; L34-H38 PolarHBondContact O-N 3.13Å; L34-H38 PolarHBondContact O-ND1 3.03Å; F35-H38 PolarHBondContact O-N 2.85Å; C36-H38 PolarHBondContact O-N 3.09Å; H38-E40 VanDerWaalsContact C-N 3.3Å; H38-E40 PolarHBondContact O-N 3.42Å; H38-L41 PolarHBondContact O-N 3.35Å; H38-Y42 WeakPolarHBondContact O-CD2 3.33Å; H38-L121 HydrophobicContact CB-CD2 3.98Å; H38-F153 HydrophobicContact CB-CZ 4.11Å; H38-F153 AromaticContact CE1-CZ 3.85Å; H38-F153 AromaticContact CG-CZ 3.65Å; H38-F153 AromaticContact ND1-CE1 3.92Å; H38-F153 AromaticContact ND1-CZ 3.5Å
39L94.5Very high92.9Very high0 Ų023.9 Ų23.90%014%0.136CC..Hα-helixtrans-61.5-41.2173.9-66.9172000111.2F35 C36 L41 Y42 T43 V51 F62 L66 V95 F97 L121F35-L39 HydrophobicContact CD1-CD1 3.8Å; F35-L39 HydrophobicContact CD1-CG 4.1Å; F35-L39 HydrophobicContact CE1-CD1 3.71Å; F35-L39 HydrophobicContact CE1-CD2 3.96Å; F35-L39 HydrophobicContact CE1-CG 3.94Å; F35-L39 HydrophobicContact CZ-CD2 4.32Å; F35-L39 WeakPolarHBondContact O-CG 3.32Å; F35-L39 PolarHBondContact O-N 3.32Å; C36-L39 WeakPolarHBondContact O-CA 3.49Å; C36-L39 WeakPolarHBondContact O-CB 3.44Å; C36-L39 PolarHBondContact O-N 2.97Å; L39-L41 PolarHBondContact O-N 2.68Å; L39-Y42 PolarHBondContact O-N 3.12Å; L39-T43 PolarHBondContact O-N 3.05Å; L39-V51 HydrophobicContact CD2-CG2 3.51Å; L39-F62 HydrophobicContact CD1-CB 3.91Å; L39-F62 HydrophobicContact CD1-CD1 4.13Å; L39-F62 HydrophobicContact CD1-CD2 4.3Å; L39-F62 HydrophobicContact CD1-CG 3.86Å; L39-L66 HydrophobicContact CB-CD1 4.36Å; L39-L66 HydrophobicContact CB-CD2 4.43Å; L39-L66 HydrophobicContact CD1-CD1 4.48Å; L39-V95 HydrophobicContact CD2-CG1 3.81Å; L39-F97 HydrophobicContact CD1-CZ 4.23Å; L39-L121 HydrophobicContact CD2-CD1 3.84Å
40E93.4Very high93.1Very high17 Ų1723.9 Ų23.98%0.07914%0.136CC..Hα-helixtrans-53.1-40.5179.5-70.2173.417400112.4Y5 C36 R37 H38 Y42 T43 L66 N69Y5-E40 PolarHBondContact OH-OE1 2.84Å; Y5-E40 VanDerWaalsContact OH-OE1 3.07Å; C36-E40 WeakPolarHBondContact O-CG 3.24Å; C36-E40 PolarHBondContact O-N 3.19Å; R37-E40 WeakPolarHBondContact CD-OE2 3.42Å; R37-E40 IonicContact CZ-OE2 2.68Å; R37-E40 IonicContact NE-OE2 3.57Å; R37-E40 IonicContact NH1-OE2 3.94Å; R37-E40 PolarHBondContact NH1-OE2 2.98Å; H38-E40 VanDerWaalsContact C-N 3.3Å; H38-E40 PolarHBondContact O-N 3.42Å; E40-Y42 PolarHBondContact O-N 3Å; E40-Y42 VanDerWaalsContact O-N 3.13Å; E40-T43 PolarHBondContact O-N 3.28Å; E40-T43 PolarHBondContact O-OG1 3.05Å; E40-L66 HydrophobicContact CG-CD2 3.69Å; E40-N69 PolarHBondContact OE1-ND2 3.12Å
41L92Very high93.5Very high63 Ų6323.9 Ų23.933%0.3314%0.136SC..THydrogen-bonded Turntrans-59.9-24.3179.1-62.3-179.5000113.9L13 F17 H38 L39L13-L41 HydrophobicContact CD1-CD1 3.71Å; L13-L41 HydrophobicContact CD1-CG 4.38Å; F17-L41 HydrophobicContact CD2-CD1 3.7Å; F17-L41 HydrophobicContact CE2-CD1 3.85Å; F17-L41 HydrophobicContact CE2-CD2 4.2Å; H38-L41 PolarHBondContact O-N 3.35Å; L39-L41 PolarHBondContact O-N 2.68Å
42Y93.3Very high93.5Very high22 Ų2223.9 Ų23.99%0.08614%0.136CC..THydrogen-bonded Turntrans-115.513.6-173.2-57-69.3000113H38 L39 E40 D44 V47 A49 V95 C119 L121 K151H38-Y42 WeakPolarHBondContact O-CD2 3.33Å; L39-Y42 PolarHBondContact O-N 3.12Å; E40-Y42 PolarHBondContact O-N 3Å; E40-Y42 VanDerWaalsContact O-N 3.13Å; Y42-D44 VanDerWaalsContact C-N 3.26Å; Y42-D44 PolarHBondContact O-N 3.2Å; Y42-V47 HydrophobicContact CD1-CG1 3.93Å; Y42-A49 HydrophobicContact CD1-CB 4.36Å; Y42-A49 HydrophobicContact CD2-CB 4.45Å; Y42-A49 HydrophobicContact CG-CB 3.91Å; Y42-V95 VanDerWaalsContact O-CG2 3.24Å; Y42-V95 WeakPolarHBondContact O-CG2 3.24Å; Y42-V95 PolarHBondContact O-N 2.64Å; Y42-C119 HydrophobicContact CD1-CB 4.24Å; Y42-C119 HydrophobicContact CE1-CB 3.8Å; Y42-C119 HydrophobicContact CE2-CB 4.12Å; Y42-L121 HydrophobicContact CD2-CD1 3.98Å; Y42-L121 HydrophobicContact CE2-CD1 4.45Å; Y42-K151 HydrophobicContact CE2-CD 4.29Å; Y42-K151 WeakPolarHBondContact OH-CE 2.78Å
43T91.6Very high93.3Very high23 Ų2325.2 Ų25.214%0.14115%0.151CC..  trans-72.2-18.2-179.947.80000113.8L39 E40 L66 H71L39-T43 PolarHBondContact O-N 3.05Å; E40-T43 PolarHBondContact O-N 3.28Å; E40-T43 PolarHBondContact O-OG1 3.05Å; T43-L66 HydrophobicContact CG2-CD1 4.37Å; T43-L66 HydrophobicContact CG2-CD2 3.99Å; T43-H71 HydrophobicContact CG2-CB 3.92Å; T43-H71 PolarHBondContact OG1-ND1 2.94Å
44D90.8Very high93.3Very high88 Ų8825.9 Ų25.947%0.47116%0.156SC..SBendtrans-64.5137.6178.4-1707.2000111.8Y42 S46 V47Y42-D44 VanDerWaalsContact C-N 3.26Å; Y42-D44 PolarHBondContact O-N 3.2Å; D44-S46 VanDerWaalsContact CG-OG 3.25Å; D44-S46 PolarHBondContact O-N 3.49Å; D44-S46 PolarHBondContact OD1-N 3.45Å; D44-S46 PolarHBondContact OD2-OG 3.31Å; D44-V47 PolarHBondContact O-N 3.41Å; D44-V47 VanDerWaalsContact O-N 3.16Å
45S89.2Confident93.1Very high83 Ų8330.6 Ų30.658%0.5818%0.178SC*.THydrogen-bonded Turntrans-60.7-23.1175.660.10000113.6V47 G93S45-V47 PolarHBondContact O-N 2.94Å; S45-G93 WeakPolarHBondContact O-CA 3.46Å
46S90.1Very high92.8Very high92 Ų9234 Ų3464%0.64320%0.202SC*.THydrogen-bonded Turntrans-69.5-15.9177.168.60000113.5D44D44-S46 VanDerWaalsContact CG-OG 3.25Å; D44-S46 PolarHBondContact O-N 3.49Å; D44-S46 PolarHBondContact OD1-N 3.45Å; D44-S46 PolarHBondContact OD2-OG 3.31Å
47V92.9Very high92.6Very high33 Ų3339.9 Ų39.920%0.222%0.224CC..SBendtrans-121.4133-171.1-177.10000110.7Y42 D44 S45 S94 T118Y42-V47 HydrophobicContact CD1-CG1 3.93Å; D44-V47 PolarHBondContact O-N 3.41Å; D44-V47 VanDerWaalsContact O-N 3.16Å; S45-V47 PolarHBondContact O-N 2.94Å; V47-S94 CarbonylContact O-C 3.57Å; V47-S94 WeakPolarHBondContact O-CA 3.43Å; V47-S94 PolarHBondContact O-N 2.96Å; V47-T118 HydrophobicContact CG1-CG2 3.6Å; V47-T118 WeakPolarHBondContact CG1-OG1 3.35Å
48L95Very high92.5Very high6 Ų637.7 Ų37.73%0.03122%0.218CC..EExtended strand (participates in β ladder)trans-99.5119172.6177.663.4000110.8L50 K96 P113 L117 T118L48-L50 HydrophobicContact CD1-CD2 4.28Å; L48-K96 HydrophobicContact CD1-CG 4.12Å; L48-P113 HydrophobicContact CD2-CG 3.86Å; L48-L117 HydrophobicContact CD2-CD1 4.26Å; L48-L117 HydrophobicContact CG-CD1 4.03Å; L48-T118 PolarHBondContact O-N 3.11Å; L48-T118 PolarHBondContact O-OG1 3.32Å
49A95.8Very high92.4Very high0 Ų039.1 Ų39.10%022%0.224CC..EExtended strand (participates in β ladder)trans-124.7139.2171.200000111.7Y42 S94 V95 K96 C119 L121Y42-A49 HydrophobicContact CD1-CB 4.36Å; Y42-A49 HydrophobicContact CD2-CB 4.45Å; Y42-A49 HydrophobicContact CG-CB 3.91Å; A49-S94 PolarHBondContact N-O 3.21Å; A49-V95 HydrophobicContact CB-CG2 4.39Å; A49-V95 CarbonylContact O-C 3.59Å; A49-V95 WeakPolarHBondContact O-CA 3.36Å; A49-K96 PolarHBondContact O-N 2.86Å; A49-C119 CarbonylContact C-O 3.49Å; A49-C119 VanDerWaalsContact CA-O 3.26Å; A49-C119 WeakPolarHBondContact CA-O 3.32Å; A49-C119 HydrophobicContact CB-CB 4.27Å; A49-L121 HydrophobicContact CB-CD1 4.38Å
50L96.4Very high92.2Very high0 Ų046 Ų460%025%0.25CS..EExtended strand (participates in β ladder)trans-110.5132-179.2-61.8178.2000111L48 Y90 K96 V98 L103 V112 L117 C119 I120 L121L48-L50 HydrophobicContact CD1-CD2 4.28Å; L50-Y90 HydrophobicContact CD2-CD1 4.15Å; L50-Y90 HydrophobicContact CD2-CE1 3.94Å; L50-K96 WeakPolarHBondContact CA-O 3.37Å; L50-K96 HydrophobicContact CD2-CB 4Å; L50-V98 HydrophobicContact CD2-CG2 4.04Å; L50-L103 HydrophobicContact CD1-CD1 3.79Å; L50-L103 HydrophobicContact CD1-CD2 4.2Å; L50-V112 HydrophobicContact CD1-CG1 4.45Å; L50-L117 HydrophobicContact CB-CD1 4.38Å; L50-L117 HydrophobicContact CD1-CD1 3.78Å; L50-L117 HydrophobicContact CD1-CD2 4.08Å; L50-L117 HydrophobicContact CG-CD1 3.62Å; L50-C119 PolarHBondContact N-O 2.92Å; L50-I120 CarbonylContact O-C 3.47Å; L50-I120 WeakPolarHBondContact O-CA 3.42Å; L50-L121 PolarHBondContact O-N 3.35Å
51V96.5Very high92Very high1 Ų145.3 Ų45.31%0.00625%0.247CC..EExtended strand (participates in β ladder)trans-104.9124175.4177.10000110.3F35 L39 A54 V95 K96 F97 V98 L121F35-V51 HydrophobicContact CE1-CG1 4.21Å; F35-V51 HydrophobicContact CZ-CG1 3.76Å; F35-V51 HydrophobicContact CZ-CG2 4.39Å; L39-V51 HydrophobicContact CD2-CG2 3.51Å; V51-A54 HydrophobicContact CG1-CB 4.03Å; V51-V95 HydrophobicContact CG2-CG1 3.63Å; V51-K96 PolarHBondContact N-O 3Å; V51-F97 HydrophobicContact CB-CD1 3.94Å; V51-F97 HydrophobicContact CB-CD2 4.27Å; V51-F97 HydrophobicContact CB-CE1 4.06Å; V51-F97 HydrophobicContact CB-CE2 4.36Å; V51-F97 HydrophobicContact CB-CG 4.05Å; V51-F97 HydrophobicContact CB-CZ 4.27Å; V51-F97 HydrophobicContact CG1-CD1 3.65Å; V51-F97 HydrophobicContact CG1-CE1 3.52Å; V51-F97 HydrophobicContact CG1-CG 4.28Å; V51-F97 HydrophobicContact CG1-CZ 4.05Å; V51-F97 HydrophobicContact CG2-CD2 4.37Å; V51-F97 HydrophobicContact CG2-CE1 4.41Å; V51-F97 HydrophobicContact CG2-CE2 4.1Å; V51-F97 HydrophobicContact CG2-CZ 4.13Å; V51-V98 PolarHBondContact O-N 3.44Å; V51-L121 CarbonylContact C-O 3.59Å; V51-L121 WeakPolarHBondContact CA-O 3.14Å; V51-L121 HydrophobicContact CG2-CB 4.07Å; V51-L121 HydrophobicContact CG2-CD1 4.2Å
52L94Very high92Very high1 Ų142.3 Ų42.31%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-112.1155.3176.1-61.5179.5000111.4A54 V98 L103 I120 L121 Y123L52-A54 VanDerWaalsContact C-N 3.28Å; L52-A54 PolarHBondContact O-N 2.98Å; L52-V98 WeakPolarHBondContact CD2-O 3.11Å; L52-L103 HydrophobicContact CD1-CD2 4.14Å; L52-L103 HydrophobicContact CD2-CD2 3.8Å; L52-L103 HydrophobicContact CG-CD2 4.44Å; L52-I120 HydrophobicContact CD1-CG2 3.9Å; L52-I120 HydrophobicContact CG-CG2 4.29Å; L52-L121 PolarHBondContact N-O 3.14Å; L52-Y123 WeakPolarHBondContact O-CB 3.33Å; L52-Y123 PolarHBondContact O-N 3.23Å
53G90.2Very high92Very high32 Ų3241.7 Ų41.733%0.3323%0.23SC..SBendtrans79.8-6.5173.700000116.5
54A92Very high91.8Very high15 Ų1542.6 Ų42.612%0.12423%0.233CC..  trans-83.5134178.800000113.4V51 L52 D58 R76 F97 Y123V51-A54 HydrophobicContact CG1-CB 4.03Å; L52-A54 VanDerWaalsContact C-N 3.28Å; L52-A54 PolarHBondContact O-N 2.98Å; A54-D58 HydrophobicContact CB-CB 4.2Å; A54-R76 PolarHBondContact O-NH2 3.12Å; A54-F97 HydrophobicContact CB-CD1 3.68Å; A54-F97 HydrophobicContact CB-CE1 3.66Å; A54-Y123 HydrophobicContact CB-CD1 4.23Å
55E89.9Confident91.8Very high99 Ų9938.4 Ų38.446%0.46321%0.211SC..  trans-82.4173.6176.3-80.1174.1-14200112.4R57 D58 H59 R76 R124E55-R57 PolarHBondContact O-N 2.99Å; E55-D58 PolarHBondContact N-OD2 3.09Å; E55-D58 PolarHBondContact O-N 3.18Å; E55-H59 PolarHBondContact O-N 3.38Å; E55-H59 VanDerWaalsContact O-N 3.08Å; E55-R76 PolarHBondContact O-NH1 2.93Å; E55-R124 IonicContact OE1-CZ 2.81Å; E55-R124 IonicContact OE1-NH1 2.89Å; E55-R124 PolarHBondContact OE1-NH1 3.08Å; E55-R124 IonicContact OE1-NH2 3.58Å; E55-R124 PolarHBondContact OE1-NH2 3.39Å; E55-R124 IonicContact OE2-NH2 2.91Å
56S89.9Confident91.9Very high72 Ų7234.5 Ų34.550%0.50318%0.183SC..Hα-helixtrans-61.5-30.9177.1-55.20000113.2R60 R76S56-R60 WeakPolarHBondContact O-CG 3.48Å; S56-R60 PolarHBondContact O-N 3.34Å; S56-R76 PolarHBondContact OG-NH2 3.32Å
57R89.1Confident91.8Very high124 Ų12437.2 Ų37.247%0.46818%0.179SC..Hα-helixtrans-73.5-43.2177-62.6-178-179.1-175.41111.5E55 H59 R60 L61 H421E55-R57 PolarHBondContact O-N 2.99Å; R57-H59 PolarHBondContact O-N 3.31Å; R57-R60 PolarHBondContact O-N 3.1Å; R57-L61 PolarHBondContact O-N 3.49Å; R57-L61 VanDerWaalsContact O-N 3.12Å; R57-H421 HydrophobicContact CB-CB 4.29Å; R57-H421 PolarHBondContact O-CE1 3.4Å
58D90.8Very high91.4Very high21 Ų2139.4 Ų39.411%0.11219%0.187CC..Hα-helixtrans-62.3-43.7177.6-51.6-33.7000111.5A54 E55 R60 L61 F62 Y123 R124A54-D58 HydrophobicContact CB-CB 4.2Å; E55-D58 PolarHBondContact N-OD2 3.09Å; E55-D58 PolarHBondContact O-N 3.18Å; D58-R60 VanDerWaalsContact C-N 3.31Å; D58-R60 PolarHBondContact O-N 3.36Å; D58-L61 WeakPolarHBondContact O-CB 3.16Å; D58-L61 PolarHBondContact O-N 3.48Å; D58-L61 VanDerWaalsContact O-N 3.17Å; D58-F62 HydrophobicContact CB-CD2 4.33Å; D58-F62 HydrophobicContact CB-CE2 4.01Å; D58-F62 WeakPolarHBondContact O-CD2 3.26Å; D58-F62 PolarHBondContact O-N 3.35Å; D58-Y123 HydrophobicContact CB-CE1 4.33Å; D58-Y123 WeakPolarHBondContact OD2-CE1 3.02Å; D58-R124 IonicContact OD2-CZ 3.47Å; D58-R124 IonicContact OD2-NE 3.86Å; D58-R124 IonicContact OD2-NH2 3.53Å; D58-R124 PolarHBondContact OD2-NH2 2.96Å
59H92.3Very high90.9Very high30 Ų3040.4 Ų40.414%0.13919%0.193CC..Hα-helixtrans-57.8-43.8177.1170.7-109.5000111.9E55 R57 L61 F62 C63 P74 R76 F97E55-H59 PolarHBondContact O-N 3.38Å; E55-H59 VanDerWaalsContact O-N 3.08Å; R57-H59 PolarHBondContact O-N 3.31Å; H59-L61 PolarHBondContact O-N 3.22Å; H59-F62 PolarHBondContact O-N 2.89Å; H59-C63 VanDerWaalsContact CD2-SG 3.58Å; H59-C63 VanDerWaalsContact CE1-SG 3.56Å; H59-C63 PolarHBondContact NE2-SG 3.12Å; H59-C63 WeakPolarHBondContact O-CB 3.5Å; H59-C63 PolarHBondContact O-N 2.98Å; H59-C63 PolarHBondContact O-SG 3.28Å; H59-P74 PolarHBondContact NE2-O 3.34Å; H59-R76 VanDerWaalsContact CB-NH1 3.28Å; H59-F97 HydrophobicContact CB-CD1 4.09Å; H59-F97 HydrophobicContact CB-CE1 4.31Å; H59-F97 HydrophobicContact CB-CG 4.49Å; H59-F97 AromaticContact CD2-CD1 3.99Å; H59-F97 AromaticContact CD2-CD2 3.56Å; H59-F97 AromaticContact CD2-CE2 3.94Å; H59-F97 AromaticContact CD2-CG 3.6Å
60R90.5Very high90.4Very high143 Ų14343.8 Ų43.854%0.5423%0.227SC..Hα-helixtrans-63-41.4176.5-72-173-64.3-179.88.5112.3S56 R57 D58 C63 Q64S56-R60 WeakPolarHBondContact O-CG 3.48Å; S56-R60 PolarHBondContact O-N 3.34Å; R57-R60 PolarHBondContact O-N 3.1Å; D58-R60 VanDerWaalsContact C-N 3.31Å; D58-R60 PolarHBondContact O-N 3.36Å; R60-C63 PolarHBondContact O-N 3.05Å; R60-Q64 PolarHBondContact O-N 2.69Å
61L89.6Confident90.1Very high4 Ų446.9 Ų46.92%0.02124%0.241CC..Hα-helixtrans-60-52.1176.2-174.766.4000111.7R57 D58 H59 C63 Q64 W65 L424 V425R57-L61 PolarHBondContact O-N 3.49Å; R57-L61 VanDerWaalsContact O-N 3.12Å; D58-L61 WeakPolarHBondContact O-CB 3.16Å; D58-L61 PolarHBondContact O-N 3.48Å; D58-L61 VanDerWaalsContact O-N 3.17Å; H59-L61 PolarHBondContact O-N 3.22Å; L61-C63 VanDerWaalsContact C-N 3.33Å; L61-C63 PolarHBondContact O-N 2.77Å; L61-Q64 WeakPolarHBondContact O-CB 3.46Å; L61-Q64 PolarHBondContact O-N 3.44Å; L61-Q64 VanDerWaalsContact O-N 3.16Å; L61-W65 HydrophobicContact CD1-CD2 4.47Å; L61-W65 HydrophobicContact CD1-CZ2 3.97Å; L61-W65 HydrophobicContact CD2-CH2 4.24Å; L61-W65 HydrophobicContact CD2-CZ2 4.18Å; L61-W65 HydrophobicContact CG-CD2 4.29Å; L61-W65 HydrophobicContact CG-CZ2 4.17Å; L61-W65 PolarHBondContact O-N 3.47Å; L61-L424 HydrophobicContact CD1-CB 4.18Å; L61-L424 HydrophobicContact CD2-CB 4.49Å; L61-L424 HydrophobicContact CD2-CD1 3.67Å; L61-V425 HydrophobicContact CD1-CG2 4.13Å
62F92.9Very high89.7Confident0 Ų050.1 Ų50.10%027%0.269CS..Hα-helixtrans-67.5-34.2-178-64.4-52.4000112.3E32 F35 C36 L39 D58 H59 Q64 W65 L66 F97 Y123E32-F62 HydrophobicContact CB-CE1 4.39Å; E32-F62 WeakPolarHBondContact O-CE1 3.47Å; F35-F62 HydrophobicContact CB-CZ 4.39Å; F35-F62 HydrophobicContact CD1-CD1 4.44Å; F35-F62 HydrophobicContact CD1-CD2 4.24Å; F35-F62 AromaticContact CD1-CE1 3.89Å; F35-F62 HydrophobicContact CD1-CE1 3.89Å; F35-F62 AromaticContact CD1-CE2 3.64Å; F35-F62 HydrophobicContact CD1-CE2 3.64Å; F35-F62 AromaticContact CD1-CZ 3.45Å; F35-F62 HydrophobicContact CD1-CZ 3.45Å; F35-F62 VanDerWaalsContact CD1-CZ 3.45Å; F35-F62 HydrophobicContact CE1-CD2 4.24Å; F35-F62 AromaticContact CE1-CE2 3.85Å; F35-F62 HydrophobicContact CE1-CE2 3.85Å; F35-F62 HydrophobicContact CE1-CZ 4.15Å; F35-F62 HydrophobicContact CG-CZ 4.26Å; C36-F62 HydrophobicContact CB-CD1 4.13Å; C36-F62 HydrophobicContact CB-CE1 4.31Å; L39-F62 HydrophobicContact CD1-CB 3.91Å; L39-F62 HydrophobicContact CD1-CD1 4.13Å; L39-F62 HydrophobicContact CD1-CD2 4.3Å; L39-F62 HydrophobicContact CD1-CG 3.86Å; D58-F62 HydrophobicContact CB-CD2 4.33Å; D58-F62 HydrophobicContact CB-CE2 4.01Å; D58-F62 WeakPolarHBondContact O-CD2 3.26Å; D58-F62 PolarHBondContact O-N 3.35Å; H59-F62 PolarHBondContact O-N 2.89Å; F62-Q64 VanDerWaalsContact C-N 3.32Å; F62-W65 HydrophobicContact CD1-CE3 4.2Å; F62-W65 HydrophobicContact CE1-CE3 4.39Å; F62-W65 HydrophobicContact CE1-CZ3 4.32Å; F62-W65 PolarHBondContact O-N 2.98Å; F62-L66 VanDerWaalsContact O-CB 3.29Å; F62-L66 WeakPolarHBondContact O-CB 3.28Å; F62-L66 WeakPolarHBondContact O-CG 3.46Å; F62-L66 PolarHBondContact O-N 3.11Å; F62-F97 HydrophobicContact CB-CZ 4.29Å; F62-F97 HydrophobicContact CD2-CE1 4.16Å; F62-F97 HydrophobicContact CD2-CZ 4.07Å; F62-Y123 HydrophobicContact CE2-CE2 4.32Å; F62-Y123 HydrophobicContact CZ-CE2 4.02Å
63C92.3Very high89.4Confident9 Ų954.7 Ų54.76%0.06129%0.29CS..Hα-helixtrans-61.9-42.5172-69.10000111.6H59 R60 L61 R67 E73H59-C63 VanDerWaalsContact CD2-SG 3.58Å; H59-C63 VanDerWaalsContact CE1-SG 3.56Å; H59-C63 PolarHBondContact NE2-SG 3.12Å; H59-C63 WeakPolarHBondContact O-CB 3.5Å; H59-C63 PolarHBondContact O-N 2.98Å; H59-C63 PolarHBondContact O-SG 3.28Å; R60-C63 PolarHBondContact O-N 3.05Å; L61-C63 VanDerWaalsContact C-N 3.33Å; L61-C63 PolarHBondContact O-N 2.77Å; C63-R67 VanDerWaalsContact O-CB 3.26Å; C63-R67 WeakPolarHBondContact O-CB 3.4Å; C63-R67 PolarHBondContact O-N 3Å; C63-E73 HydrophobicContact CB-CG 4.25Å
64Q88.1Confident89.5Confident41 Ų4153.4 Ų53.419%0.19228%0.276CS..Hα-helixtrans-60.6-52.3176.9177.4179.4-600110.8R60 L61 F62 L66 R67 E68 S429R60-Q64 PolarHBondContact O-N 2.69Å; L61-Q64 WeakPolarHBondContact O-CB 3.46Å; L61-Q64 PolarHBondContact O-N 3.44Å; L61-Q64 VanDerWaalsContact O-N 3.16Å; F62-Q64 VanDerWaalsContact C-N 3.32Å; Q64-L66 PolarHBondContact O-N 2.84Å; Q64-R67 WeakPolarHBondContact O-CB 3.31Å; Q64-R67 PolarHBondContact O-N 3.35Å; Q64-E68 WeakPolarHBondContact CG-OE1 3.39Å; Q64-E68 PolarHBondContact NE2-OE1 3.42Å; Q64-E68 WeakPolarHBondContact O-CG 3.36Å; Q64-E68 PolarHBondContact O-N 3.22Å; Q64-S429 PolarHBondContact NE2-OG 3.38Å
65W89.9Confident89.5Confident1 Ų157.4 Ų57.40%0.00429%0.29CS..Hα-helixtrans-62.3-42.8-179.6-70.5-5.6000112.8F3 E32 R33 C36 L61 F62 R67 E68 N69 L424 Y428F3-W65 HydrophobicContact CE1-CB 3.87Å; F3-W65 AromaticContact CE1-CD1 3.73Å; F3-W65 AromaticContact CE1-CD2 3.84Å; F3-W65 HydrophobicContact CE1-CD2 3.84Å; F3-W65 HydrophobicContact CE1-CE3 4.43Å; F3-W65 AromaticContact CE1-CG 3.58Å; F3-W65 HydrophobicContact CE1-CG 3.58Å; F3-W65 HydrophobicContact CZ-CB 3.88Å; F3-W65 AromaticContact CZ-CD2 3.74Å; F3-W65 HydrophobicContact CZ-CD2 3.74Å; F3-W65 AromaticContact CZ-CE3 3.87Å; F3-W65 HydrophobicContact CZ-CE3 3.87Å; F3-W65 AromaticContact CZ-CG 3.77Å; F3-W65 HydrophobicContact CZ-CG 3.77Å; E32-W65 HydrophobicContact CB-CH2 3.81Å; E32-W65 HydrophobicContact CB-CZ3 3.81Å; R33-W65 HydrophobicContact CG-CH2 4.3Å; R33-W65 HydrophobicContact CG-CZ3 4.26Å; C36-W65 HydrophobicContact CB-CE3 3.87Å; C36-W65 HydrophobicContact CB-CZ3 4.31Å; L61-W65 HydrophobicContact CD1-CD2 4.47Å; L61-W65 HydrophobicContact CD1-CZ2 3.97Å; L61-W65 HydrophobicContact CD2-CH2 4.24Å; L61-W65 HydrophobicContact CD2-CZ2 4.18Å; L61-W65 HydrophobicContact CG-CD2 4.29Å; L61-W65 HydrophobicContact CG-CZ2 4.17Å; L61-W65 PolarHBondContact O-N 3.47Å; F62-W65 HydrophobicContact CD1-CE3 4.2Å; F62-W65 HydrophobicContact CE1-CE3 4.39Å; F62-W65 HydrophobicContact CE1-CZ3 4.32Å; F62-W65 PolarHBondContact O-N 2.98Å; W65-R67 VanDerWaalsContact C-N 3.33Å; W65-R67 PolarHBondContact O-N 3.23Å; W65-E68 PolarHBondContact O-N 3.4Å; W65-N69 WeakPolarHBondContact O-CB 3.5Å; W65-N69 PolarHBondContact O-N 2.87Å; W65-N69 PolarHBondContact O-OD1 3.09Å; W65-N69 VanDerWaalsContact O-OD1 3.14Å; W65-L424 HydrophobicContact CH2-CD1 4.44Å; W65-L424 HydrophobicContact CZ2-CB 4.48Å; W65-Y428 HydrophobicContact CH2-CE2 4.41Å; W65-Y428 AromaticContact CZ2-CD2 3.79Å; W65-Y428 HydrophobicContact CZ2-CD2 3.79Å; W65-Y428 AromaticContact CZ2-CE2 3.75Å; W65-Y428 HydrophobicContact CZ2-CE2 3.75Å; W65-Y428 HydrophobicContact CZ2-CG 4.43Å
66L91.2Very high89.6Confident0 Ų055.4 Ų55.40%028%0.279CS..Hα-helixtrans-62.9-40.8176.2-72.7171.3000111.7L39 E40 T43 F62 Q64 N69 G70 H71 P74L39-L66 HydrophobicContact CB-CD1 4.36Å; L39-L66 HydrophobicContact CB-CD2 4.43Å; L39-L66 HydrophobicContact CD1-CD1 4.48Å; E40-L66 HydrophobicContact CG-CD2 3.69Å; T43-L66 HydrophobicContact CG2-CD1 4.37Å; T43-L66 HydrophobicContact CG2-CD2 3.99Å; F62-L66 VanDerWaalsContact O-CB 3.29Å; F62-L66 WeakPolarHBondContact O-CB 3.28Å; F62-L66 WeakPolarHBondContact O-CG 3.46Å; F62-L66 PolarHBondContact O-N 3.11Å; Q64-L66 PolarHBondContact O-N 2.84Å; L66-N69 CarbonylContact O-C 3.53Å; L66-N69 PolarHBondContact O-N 3.09Å; L66-G70 PolarHBondContact O-N 3.09Å; L66-H71 HydrophobicContact CB-CB 4.19Å; L66-H71 HydrophobicContact CD2-CB 4.2Å; L66-H71 WeakPolarHBondContact O-CA 3.44Å; L66-H71 WeakPolarHBondContact O-CB 3.32Å; L66-H71 PolarHBondContact O-N 3.17Å; L66-P74 HydrophobicContact CD1-CG 3.86Å
67R89.2Confident89.6Confident149 Ų14952 Ų5256%0.56226%0.255SS*.Hα-helixtrans-62.7-44.8176.1-175.1-165.5-66.1163.2-0.9111.5C63 Q64 W65 N69 G70 E73C63-R67 VanDerWaalsContact O-CB 3.26Å; C63-R67 WeakPolarHBondContact O-CB 3.4Å; C63-R67 PolarHBondContact O-N 3Å; Q64-R67 WeakPolarHBondContact O-CB 3.31Å; Q64-R67 PolarHBondContact O-N 3.35Å; W65-R67 VanDerWaalsContact C-N 3.33Å; W65-R67 PolarHBondContact O-N 3.23Å; R67-N69 PolarHBondContact O-N 3.04Å; R67-G70 PolarHBondContact O-N 3.47Å; R67-E73 IonicContact CZ-OE1 3.76Å; R67-E73 IonicContact CZ-OE2 3.86Å; R67-E73 IonicContact NE-OE1 3.74Å; R67-E73 PolarHBondContact NE-OE1 3.22Å; R67-E73 IonicContact NH2-OE1 2.96Å; R67-E73 PolarHBondContact NH2-OE1 2.81Å; R67-E73 IonicContact NH2-OE2 3.7Å; R67-E73 PolarHBondContact NH2-OE2 3.29Å
68E84.5Confident89.5Confident80 Ų8048.2 Ų48.237%0.37425%0.246SC..Hα-helixtrans-62.2-32.8176.5-73.4166.9-175.400111.9Q64 W65 G70Q64-E68 WeakPolarHBondContact CG-OE1 3.39Å; Q64-E68 PolarHBondContact NE2-OE1 3.42Å; Q64-E68 WeakPolarHBondContact O-CG 3.36Å; Q64-E68 PolarHBondContact O-N 3.22Å; W65-E68 PolarHBondContact O-N 3.4Å; E68-G70 PolarHBondContact O-N 3.32Å
69N84.6Confident88.9Confident27 Ų2752.3 Ų52.314%0.14428%0.276CS..THydrogen-bonded Turntrans-82.62.4176.1-61.45.3000112.8P2 E40 W65 L66 R67 H71P2-N69 HydrophobicContact CB-CB 4.22Å; P2-N69 WeakPolarHBondContact CB-OD1 3.32Å; E40-N69 PolarHBondContact OE1-ND2 3.12Å; W65-N69 WeakPolarHBondContact O-CB 3.5Å; W65-N69 PolarHBondContact O-N 2.87Å; W65-N69 PolarHBondContact O-OD1 3.09Å; W65-N69 VanDerWaalsContact O-OD1 3.14Å; L66-N69 CarbonylContact O-C 3.53Å; L66-N69 PolarHBondContact O-N 3.09Å; R67-N69 PolarHBondContact O-N 3.04Å; N69-H71 PolarHBondContact O-CD2 3.05Å
70G85.7Confident88.2Confident70 Ų7059 Ų5972%0.72231%0.307SS*.THydrogen-bonded Turntrans80.912.3177.600000115L66 R67 E68L66-G70 PolarHBondContact O-N 3.09Å; R67-G70 PolarHBondContact O-N 3.47Å; E68-G70 PolarHBondContact O-N 3.32Å
71H88.5Confident87.8Confident65 Ų6553.7 Ų53.730%0.30129%0.291SS..PPolyproline II helixtrans-92.2157.6177.6-64.4-86.8000112.4T43 L66 N69T43-H71 HydrophobicContact CG2-CB 3.92Å; T43-H71 PolarHBondContact OG1-ND1 2.94Å; L66-H71 HydrophobicContact CB-CB 4.19Å; L66-H71 HydrophobicContact CD2-CB 4.2Å; L66-H71 WeakPolarHBondContact O-CA 3.44Å; L66-H71 WeakPolarHBondContact O-CB 3.32Å; L66-H71 PolarHBondContact O-N 3.17Å; N69-H71 PolarHBondContact O-CD2 3.05Å
72A87.8Confident87.6Confident70 Ų7056.9 Ų56.958%0.57931%0.311SS*.PPolyproline II helixtrans-68.5145.1176.100000112
73E89.4Confident86.9Confident96 Ų9658.5 Ų58.545%0.44933%0.325SS..PPolyproline II helixtrans-73.5127.4-179.7-77.6171.4-129.300112.5C63 R67 K75C63-E73 HydrophobicContact CB-CG 4.25Å; R67-E73 IonicContact CZ-OE1 3.76Å; R67-E73 IonicContact CZ-OE2 3.86Å; R67-E73 IonicContact NE-OE1 3.74Å; R67-E73 PolarHBondContact NE-OE1 3.22Å; R67-E73 IonicContact NH2-OE1 2.96Å; R67-E73 PolarHBondContact NH2-OE1 2.81Å; R67-E73 IonicContact NH2-OE2 3.7Å; R67-E73 PolarHBondContact NH2-OE2 3.29Å; E73-K75 PolarHBondContact O-N 3.44Å
74P91.7Very high86.4Confident6 Ų664.5 Ų64.54%0.03936%0.357CS..PPolyproline II helixtrans-71.8131.6178.629.1-34.7000111.1H59 L66 V95 F97H59-P74 PolarHBondContact NE2-O 3.34Å; L66-P74 HydrophobicContact CD1-CG 3.86Å; P74-V95 HydrophobicContact CB-CB 3.96Å; P74-V95 HydrophobicContact CB-CG1 3.98Å; P74-V95 WeakPolarHBondContact CB-O 3.36Å; P74-F97 HydrophobicContact CB-CD2 3.89Å; P74-F97 HydrophobicContact CB-CE2 3.73Å; P74-F97 HydrophobicContact CG-CD2 4.09Å; P74-F97 HydrophobicContact CG-CE2 3.56Å
75K91.3Very high86.4Confident98 Ų9866.5 Ų66.543%0.42637%0.368SS..EExtended strand (participates in β ladder)trans-73141.7176.4-66.4-175-178.8177.70110.8E73 V89 E92 K96 F97E73-K75 PolarHBondContact O-N 3.44Å; K75-V89 HydrophobicContact CD-CG1 4.4Å; K75-E92 WeakPolarHBondContact CD-OE2 3.5Å; K75-E92 WeakPolarHBondContact CE-OE2 3.43Å; K75-E92 IonicContact NZ-OE1 3.39Å; K75-E92 PolarHBondContact NZ-OE1 2.76Å; K75-E92 IonicContact NZ-OE2 2.96Å; K75-E92 PolarHBondContact NZ-OE2 2.91Å; K75-K96 HydrophobicContact CB-CD 4.03Å; K75-K96 WeakPolarHBondContact O-CA 3.11Å; K75-F97 PolarHBondContact O-N 3.46Å
76R91.7Very high86.3Confident57 Ų5767.7 Ų67.722%0.21537%0.373CS..EExtended strand (participates in β ladder)trans-105.6123.6172.1-176.1-169-173.9102.63.2110.4A54 E55 S56 H59 T78 F97A54-R76 PolarHBondContact O-NH2 3.12Å; E55-R76 PolarHBondContact O-NH1 2.93Å; S56-R76 PolarHBondContact OG-NH2 3.32Å; H59-R76 VanDerWaalsContact CB-NH1 3.28Å; R76-T78 HydrophobicContact CG-CG2 4.21Å; R76-F97 WeakPolarHBondContact CA-O 3.04Å; R76-F97 HydrophobicContact CB-CB 4.08Å; R76-F97 HydrophobicContact CG-CB 3.99Å
77L90.9Very high86.3Confident1 Ų173.2 Ų73.21%0.00539%0.394CS..  trans-80.5125.9172.5-77.9151.4000109.8T81 R86 V89 Y90 K96 F97 V98L77-T81 HydrophobicContact CD2-CG2 4.07Å; L77-R86 HydrophobicContact CD2-CB 4.27Å; L77-R86 HydrophobicContact CD2-CG 3.89Å; L77-V89 HydrophobicContact CD1-CG1 4.39Å; L77-V89 HydrophobicContact CD2-CB 4.37Å; L77-V89 HydrophobicContact CD2-CG1 4.12Å; L77-V89 HydrophobicContact CG-CG1 4.28Å; L77-Y90 HydrophobicContact CD1-CD1 4.08Å; L77-Y90 HydrophobicContact CD1-CE1 3.28Å; L77-Y90 HydrophobicContact CD1-CE2 4.42Å; L77-Y90 VanDerWaalsContact CD1-CZ 3.48Å; L77-Y90 WeakPolarHBondContact CD1-OH 3.28Å; L77-K96 HydrophobicContact CD1-CB 4.4Å; L77-F97 PolarHBondContact N-O 3.11Å; L77-V98 HydrophobicContact CB-CG1 4.43Å; L77-V98 HydrophobicContact CB-CG2 4.28Å; L77-V98 HydrophobicContact CD1-CG2 3.58Å
78T86.8Confident86.4Confident45 Ų4570.6 Ų70.628%0.27639%0.391SS..  trans-124170.6177.8690000110.1R76 Q80 T81R76-T78 HydrophobicContact CG-CG2 4.21Å; T78-Q80 PolarHBondContact O-N 2.97Å; T78-Q80 PolarHBondContact OG1-N 2.72Å; T78-T81 PolarHBondContact N-OG1 3.19Å; T78-T81 PolarHBondContact O-N 3.31Å; T78-T81 VanDerWaalsContact O-N 3.09Å; T78-T81 PolarHBondContact O-OG1 3.28Å
79S77.5Confident86.7Confident106 Ų10667.8 Ų67.874%0.74138%0.379SS*.THydrogen-bonded Turntrans-60.7-21.4172.953.30000113T81S79-T81 VanDerWaalsContact C-N 3.31Å
80Q79Confident87.2Confident170 Ų17066.6 Ų66.679%0.79437%0.373SS*.THydrogen-bonded Turntrans-75.3-20.4177.4-60179.5-9.600112.7T78 P82T78-Q80 PolarHBondContact O-N 2.97Å; T78-Q80 PolarHBondContact OG1-N 2.72Å; Q80-P82 WeakPolarHBondContact O-CD 3.27Å
81T82.1Confident87.4Confident32 Ų3268 Ų6820%0.19636%0.363CS..SBendtrans-74115.8175.1-41.50000108.4L77 T78 S79 R86L77-T81 HydrophobicContact CD2-CG2 4.07Å; T78-T81 PolarHBondContact N-OG1 3.19Å; T78-T81 PolarHBondContact O-N 3.31Å; T78-T81 VanDerWaalsContact O-N 3.09Å; T78-T81 PolarHBondContact O-OG1 3.28Å; S79-T81 VanDerWaalsContact C-N 3.31Å; T81-R86 HydrophobicContact CG2-CG 4.25Å; T81-R86 PolarHBondContact O-NE 2.89Å; T81-R86 PolarHBondContact O-NH2 3.5Å
82P84.1Confident87.6Confident71 Ų7169.2 Ų69.246%0.46137%0.369SS..  trans-61.9142.5-175.424.9-33.4000110.6Q80 N84 D85 R86Q80-P82 WeakPolarHBondContact O-CD 3.27Å; P82-N84 VanDerWaalsContact C-N 3.25Å; P82-N84 PolarHBondContact O-N 3.08Å; P82-D85 HydrophobicContact CG-CB 4.06Å; P82-D85 VanDerWaalsContact CG-OD2 3.22Å; P82-D85 WeakPolarHBondContact CG-OD2 3.36Å; P82-D85 PolarHBondContact O-N 3.1Å; P82-D85 VanDerWaalsContact O-N 3.09Å; P82-R86 WeakPolarHBondContact O-CG 3.46Å; P82-R86 PolarHBondContact O-N 2.96Å
83A78.4Confident87.7Confident34 Ų3466.2 Ų66.228%0.28134%0.344SS..Hα-helixtrans-59.1-33.8-169.400000113.9
84N81.5Confident87.9Confident136 Ų13662.5 Ų62.573%0.72733%0.329SS*.Hα-helixtrans-68.6-35.2179.6-68.1-7.4000112.1P82P82-N84 VanDerWaalsContact C-N 3.25Å; P82-N84 PolarHBondContact O-N 3.08Å
85D87.8Confident88Confident82 Ų8262.3 Ų62.344%0.43933%0.328SS..Hα-helixtrans-80.8-19.2-177.5-63.6-10.6000112.3P82 R87 N88 V89P82-D85 HydrophobicContact CG-CB 4.06Å; P82-D85 VanDerWaalsContact CG-OD2 3.22Å; P82-D85 WeakPolarHBondContact CG-OD2 3.36Å; P82-D85 PolarHBondContact O-N 3.1Å; P82-D85 VanDerWaalsContact O-N 3.09Å; D85-R87 PolarHBondContact O-N 3.5Å; D85-N88 WeakPolarHBondContact O-CB 3.46Å; D85-N88 PolarHBondContact O-N 2.79Å; D85-V89 PolarHBondContact O-N 2.89Å
86R89.8Confident88.2Confident26 Ų2657.9 Ų57.910%0.09831%0.309CS..Hα-helixtrans-58.6-36.9-178.9-63.2-173.7-170.4165.70.9112.5L77 T81 P82 N88 V89 Y90 D106L77-R86 HydrophobicContact CD2-CB 4.27Å; L77-R86 HydrophobicContact CD2-CG 3.89Å; T81-R86 HydrophobicContact CG2-CG 4.25Å; T81-R86 PolarHBondContact O-NE 2.89Å; T81-R86 PolarHBondContact O-NH2 3.5Å; P82-R86 WeakPolarHBondContact O-CG 3.46Å; P82-R86 PolarHBondContact O-N 2.96Å; R86-N88 VanDerWaalsContact C-N 3.3Å; R86-N88 PolarHBondContact O-N 3.41Å; R86-V89 PolarHBondContact O-N 2.94Å; R86-Y90 HydrophobicContact CB-CE2 4.2Å; R86-Y90 WeakPolarHBondContact O-CD2 3.25Å; R86-Y90 PolarHBondContact O-N 2.94Å; R86-D106 VanDerWaalsContact CD-OD2 3.27Å; R86-D106 WeakPolarHBondContact CD-OD2 3.26Å; R86-D106 IonicContact NH1-OD1 3.6Å; R86-D106 PolarHBondContact NH1-OD1 3.25Å
87R90.1Very high88.4Confident117 Ų11755.3 Ų55.344%0.44230%0.299SS..Hα-helixtrans-58.7-45.2175.9-174.3177.5-175.4101.13.1110.8D85 V89 Y90 L91 D110 R111D85-R87 PolarHBondContact O-N 3.5Å; R87-V89 VanDerWaalsContact C-N 3.34Å; R87-V89 PolarHBondContact O-N 2.95Å; R87-Y90 PolarHBondContact O-N 3.02Å; R87-L91 HydrophobicContact CG-CD1 4.07Å; R87-L91 WeakPolarHBondContact O-CG 3.37Å; R87-L91 PolarHBondContact O-N 3.34Å; R87-D110 PolarHBondContact NH1-O 2.84Å; R87-R111 HydrophobicContact CB-CB 4.46Å
88N91.2Very high88.5Confident93 Ų9355.7 Ų55.750%0.49730%0.301SS..Hα-helixtrans-64.2-41.2178.5-61.8-21.6000110.9D85 R86 Y90 L91 E92D85-N88 WeakPolarHBondContact O-CB 3.46Å; D85-N88 PolarHBondContact O-N 2.79Å; R86-N88 VanDerWaalsContact C-N 3.3Å; R86-N88 PolarHBondContact O-N 3.41Å; N88-Y90 VanDerWaalsContact C-N 3.29Å; N88-Y90 PolarHBondContact O-N 3.1Å; N88-L91 PolarHBondContact O-N 3.28Å; N88-L91 VanDerWaalsContact O-N 3.09Å; N88-E92 WeakPolarHBondContact O-CG 3.46Å; N88-E92 PolarHBondContact O-N 2.66Å
89V91.6Very high88.7Confident21 Ų2156.1 Ų56.113%0.12730%0.304CS..Hα-helixtrans-60.7-37.3176.3177.80000112.1K75 L77 D85 R86 R87 K96K75-V89 HydrophobicContact CD-CG1 4.4Å; L77-V89 HydrophobicContact CD1-CG1 4.39Å; L77-V89 HydrophobicContact CD2-CB 4.37Å; L77-V89 HydrophobicContact CD2-CG1 4.12Å; L77-V89 HydrophobicContact CG-CG1 4.28Å; D85-V89 PolarHBondContact O-N 2.89Å; R86-V89 PolarHBondContact O-N 2.94Å; R87-V89 VanDerWaalsContact C-N 3.34Å; R87-V89 PolarHBondContact O-N 2.95Å; V89-K96 HydrophobicContact CG1-CD 4.06Å; V89-K96 WeakPolarHBondContact O-CE 3.44Å; V89-K96 PolarHBondContact O-NZ 3.17Å
90Y93.6Very high89.2Confident2 Ų252.1 Ų52.11%0.00828%0.276CS..Hα-helixtrans-71.4-36.4173.8-64-57.8000112.5L50 L77 R86 R87 N88 E92 G93 V98 D106 V112L50-Y90 HydrophobicContact CD2-CD1 4.15Å; L50-Y90 HydrophobicContact CD2-CE1 3.94Å; L77-Y90 HydrophobicContact CD1-CD1 4.08Å; L77-Y90 HydrophobicContact CD1-CE1 3.28Å; L77-Y90 HydrophobicContact CD1-CE2 4.42Å; L77-Y90 VanDerWaalsContact CD1-CZ 3.48Å; L77-Y90 WeakPolarHBondContact CD1-OH 3.28Å; R86-Y90 HydrophobicContact CB-CE2 4.2Å; R86-Y90 WeakPolarHBondContact O-CD2 3.25Å; R86-Y90 PolarHBondContact O-N 2.94Å; R87-Y90 PolarHBondContact O-N 3.02Å; N88-Y90 VanDerWaalsContact C-N 3.29Å; N88-Y90 PolarHBondContact O-N 3.1Å; Y90-E92 VanDerWaalsContact C-N 3.31Å; Y90-E92 PolarHBondContact O-N 2.99Å; Y90-G93 PolarHBondContact O-N 2.82Å; Y90-V98 HydrophobicContact CE1-CG2 4.21Å; Y90-D106 HydrophobicContact CE2-CB 4.02Å; Y90-D106 WeakPolarHBondContact CE2-OD2 3.3Å; Y90-D106 PolarHBondContact OH-OD2 2.85Å; Y90-V112 HydrophobicContact CD2-CG2 4.21Å; Y90-V112 HydrophobicContact CE2-CG2 3.86Å
91L91.7Very high89.4Confident99 Ų9948 Ų4852%0.51826%0.26SS..Hα-helixtrans-70.1-24179-71.6170.8000113.6R87 N88 G93 P113R87-L91 HydrophobicContact CG-CD1 4.07Å; R87-L91 WeakPolarHBondContact O-CG 3.37Å; R87-L91 PolarHBondContact O-N 3.34Å; N88-L91 PolarHBondContact O-N 3.28Å; N88-L91 VanDerWaalsContact O-N 3.09Å; L91-G93 PolarHBondContact O-N 3.43Å; L91-G93 VanDerWaalsContact O-N 3.11Å; L91-P113 HydrophobicContact CD2-CB 4.23Å; L91-P113 HydrophobicContact CD2-CG 4.18Å
92E90.8Very high89.7Confident92 Ų9247.2 Ų47.243%0.4325%0.254SS..THydrogen-bonded Turntrans-59.8-15.1170.8-72.3172.7171.400113.4K75 N88 Y90 K96K75-E92 WeakPolarHBondContact CD-OE2 3.5Å; K75-E92 WeakPolarHBondContact CE-OE2 3.43Å; K75-E92 IonicContact NZ-OE1 3.39Å; K75-E92 PolarHBondContact NZ-OE1 2.76Å; K75-E92 IonicContact NZ-OE2 2.96Å; K75-E92 PolarHBondContact NZ-OE2 2.91Å; N88-E92 WeakPolarHBondContact O-CG 3.46Å; N88-E92 PolarHBondContact O-N 2.66Å; Y90-E92 VanDerWaalsContact C-N 3.31Å; Y90-E92 PolarHBondContact O-N 2.99Å; E92-K96 IonicContact OE2-NZ 3.57Å; E92-K96 PolarHBondContact OE2-NZ 2.88Å
93G91.1Very high89.9Confident6 Ų643.9 Ų43.96%0.06223%0.232CC..  trans64-161.5-172.300000111.8S45 Y90 L91 K96S45-G93 WeakPolarHBondContact O-CA 3.46Å; Y90-G93 PolarHBondContact O-N 2.82Å; L91-G93 PolarHBondContact O-N 3.43Å; L91-G93 VanDerWaalsContact O-N 3.11Å; G93-K96 WeakPolarHBondContact O-CE 3.4Å; G93-K96 PolarHBondContact O-NZ 3.03Å
94S92.5Very high90.2Very high19 Ų1942.5 Ų42.513%0.13322%0.22CC..EExtended strand (participates in β ladder)trans71.6174.4-167.895.20000115.1V47 A49 K96V47-S94 CarbonylContact O-C 3.57Å; V47-S94 WeakPolarHBondContact O-CA 3.43Å; V47-S94 PolarHBondContact O-N 2.96Å; A49-S94 PolarHBondContact N-O 3.21Å; S94-K96 PolarHBondContact OG-NZ 3.34Å; S94-K96 VanDerWaalsContact OG-NZ 3.14Å
95V95.2Very high90.2Very high2 Ų238.4 Ų38.41%0.01220%0.198CC..EExtended strand (participates in β ladder)trans-63.3131.1169.2-177.90000111.4L39 Y42 A49 V51 P74 F97L39-V95 HydrophobicContact CD2-CG1 3.81Å; Y42-V95 VanDerWaalsContact O-CG2 3.24Å; Y42-V95 WeakPolarHBondContact O-CG2 3.24Å; Y42-V95 PolarHBondContact O-N 2.64Å; A49-V95 HydrophobicContact CB-CG2 4.39Å; A49-V95 CarbonylContact O-C 3.59Å; A49-V95 WeakPolarHBondContact O-CA 3.36Å; V51-V95 HydrophobicContact CG2-CG1 3.63Å; P74-V95 HydrophobicContact CB-CB 3.96Å; P74-V95 HydrophobicContact CB-CG1 3.98Å; P74-V95 WeakPolarHBondContact CB-O 3.36Å; V95-F97 HydrophobicContact CG1-CD2 4.34Å; V95-F97 HydrophobicContact CG1-CE2 4.02Å
96K95Very high90.2Very high4 Ų434.5 Ų34.52%0.01718%0.177CC..EExtended strand (participates in β ladder)trans-125132.5171.7-50.4-64.3170.9-173.80111.8L48 A49 L50 V51 K75 L77 V89 E92 G93 S94 V98L48-K96 HydrophobicContact CD1-CG 4.12Å; A49-K96 PolarHBondContact O-N 2.86Å; L50-K96 WeakPolarHBondContact CA-O 3.37Å; L50-K96 HydrophobicContact CD2-CB 4Å; V51-K96 PolarHBondContact N-O 3Å; K75-K96 HydrophobicContact CB-CD 4.03Å; K75-K96 WeakPolarHBondContact O-CA 3.11Å; L77-K96 HydrophobicContact CD1-CB 4.4Å; V89-K96 HydrophobicContact CG1-CD 4.06Å; V89-K96 WeakPolarHBondContact O-CE 3.44Å; V89-K96 PolarHBondContact O-NZ 3.17Å; E92-K96 IonicContact OE2-NZ 3.57Å; E92-K96 PolarHBondContact OE2-NZ 2.88Å; G93-K96 WeakPolarHBondContact O-CE 3.4Å; G93-K96 PolarHBondContact O-NZ 3.03Å; S94-K96 PolarHBondContact OG-NZ 3.34Å; S94-K96 VanDerWaalsContact OG-NZ 3.14Å; K96-V98 HydrophobicContact CB-CG2 4.26Å
97F95.7Very high90.1Very high3 Ų333.9 Ų33.91%0.01318%0.176CC..EExtended strand (participates in β ladder)trans-89.2122.8173.6-76.9-110.7000110L39 V51 A54 H59 F62 P74 K75 R76 L77 V95L39-F97 HydrophobicContact CD1-CZ 4.23Å; V51-F97 HydrophobicContact CB-CD1 3.94Å; V51-F97 HydrophobicContact CB-CD2 4.27Å; V51-F97 HydrophobicContact CB-CE1 4.06Å; V51-F97 HydrophobicContact CB-CE2 4.36Å; V51-F97 HydrophobicContact CB-CG 4.05Å; V51-F97 HydrophobicContact CB-CZ 4.27Å; V51-F97 HydrophobicContact CG1-CD1 3.65Å; V51-F97 HydrophobicContact CG1-CE1 3.52Å; V51-F97 HydrophobicContact CG1-CG 4.28Å; V51-F97 HydrophobicContact CG1-CZ 4.05Å; V51-F97 HydrophobicContact CG2-CD2 4.37Å; V51-F97 HydrophobicContact CG2-CE1 4.41Å; V51-F97 HydrophobicContact CG2-CE2 4.1Å; V51-F97 HydrophobicContact CG2-CZ 4.13Å; A54-F97 HydrophobicContact CB-CD1 3.68Å; A54-F97 HydrophobicContact CB-CE1 3.66Å; H59-F97 HydrophobicContact CB-CD1 4.09Å; H59-F97 HydrophobicContact CB-CE1 4.31Å; H59-F97 HydrophobicContact CB-CG 4.49Å; H59-F97 AromaticContact CD2-CD1 3.99Å; H59-F97 AromaticContact CD2-CD2 3.56Å; H59-F97 AromaticContact CD2-CE2 3.94Å; H59-F97 AromaticContact CD2-CG 3.6Å; F62-F97 HydrophobicContact CB-CZ 4.29Å; F62-F97 HydrophobicContact CD2-CE1 4.16Å; F62-F97 HydrophobicContact CD2-CZ 4.07Å; P74-F97 HydrophobicContact CB-CD2 3.89Å; P74-F97 HydrophobicContact CB-CE2 3.73Å; P74-F97 HydrophobicContact CG-CD2 4.09Å; P74-F97 HydrophobicContact CG-CE2 3.56Å; K75-F97 PolarHBondContact O-N 3.46Å; R76-F97 WeakPolarHBondContact CA-O 3.04Å; R76-F97 HydrophobicContact CB-CB 4.08Å; R76-F97 HydrophobicContact CG-CB 3.99Å; L77-F97 PolarHBondContact N-O 3.11Å; V95-F97 HydrophobicContact CG1-CD2 4.34Å; V95-F97 HydrophobicContact CG1-CE2 4.02Å
98V93.8Very high89.5Confident9 Ų931 Ų316%0.05517%0.169CC..  trans-134.9145.3-174.3-164.90000110.3L50 V51 L52 L77 Y90 K96 I102 L103L50-V98 HydrophobicContact CD2-CG2 4.04Å; V51-V98 PolarHBondContact O-N 3.44Å; L52-V98 WeakPolarHBondContact CD2-O 3.11Å; L77-V98 HydrophobicContact CB-CG1 4.43Å; L77-V98 HydrophobicContact CB-CG2 4.28Å; L77-V98 HydrophobicContact CD1-CG2 3.58Å; Y90-V98 HydrophobicContact CE1-CG2 4.21Å; K96-V98 HydrophobicContact CB-CG2 4.26Å; V98-I102 HydrophobicContact CG1-CB 3.93Å; V98-I102 HydrophobicContact CG1-CG2 3.79Å; V98-L103 HydrophobicContact CG1-CB 3.95Å
99T90.4Very high89Confident54 Ų5428.9 Ų28.933%0.33116%0.164SC..  trans-86.9146.3169.4660000109.8N101 I102 L103T99-N101 PolarHBondContact O-N 3.35Å; T99-N101 VanDerWaalsContact O-N 3.11Å; T99-I102 PolarHBondContact O-N 3Å; T99-I102 WeakPolarHBondContact OG1-CD1 3.36Å; T99-I102 WeakPolarHBondContact OG1-CG1 3.3Å; T99-L103 PolarHBondContact O-N 3.29Å
100S87Confident88.6Confident22 Ų2232.3 Ų32.315%0.15418%0.182CC..Hα-helixtrans-57.5-34.6-175.5-30.90000113L103 V104 D134S100-L103 PolarHBondContact O-N 3.03Å; S100-V104 WeakPolarHBondContact O-CG2 3.47Å; S100-V104 PolarHBondContact O-N 3.49Å; S100-D134 WeakPolarHBondContact CB-OD1 3.36Å; S100-D134 PolarHBondContact OG-OD1 3.28Å
101N83.4Confident88.4Confident84 Ų8435.2 Ų35.245%0.44919%0.193SC..Hα-helixtrans-63.4-42.4175.6-66.9-23.2000113.1T99 L103 N105 L133T99-N101 PolarHBondContact O-N 3.35Å; T99-N101 VanDerWaalsContact O-N 3.11Å; N101-L103 VanDerWaalsContact C-N 3.34Å; N101-N105 PolarHBondContact O-N 3.47Å; N101-L133 WeakPolarHBondContact OD1-CD1 3.39Å
102I88.3Confident88.3Confident16 Ų1630.8 Ų30.88%0.08217%0.17CC..Hα-helixtrans-66.1-44.1176.4-68.6172000109.1V98 T99 V104 N105 D106V98-I102 HydrophobicContact CG1-CB 3.93Å; V98-I102 HydrophobicContact CG1-CG2 3.79Å; T99-I102 PolarHBondContact O-N 3Å; T99-I102 WeakPolarHBondContact OG1-CD1 3.36Å; T99-I102 WeakPolarHBondContact OG1-CG1 3.3Å; I102-V104 PolarHBondContact O-N 2.95Å; I102-N105 PolarHBondContact O-N 3.5Å; I102-D106 WeakPolarHBondContact CG2-OD2 3.16Å; I102-D106 WeakPolarHBondContact O-CB 3.25Å; I102-D106 PolarHBondContact O-N 2.81Å
103L89.7Confident88.4Confident1 Ų127.3 Ų27.31%0.00516%0.155CC..Hα-helixtrans-63.3-40.2-178.3-175.756.7000112.3L50 L52 V98 T99 S100 N101 D106 F107 V112 L137L50-L103 HydrophobicContact CD1-CD1 3.79Å; L50-L103 HydrophobicContact CD1-CD2 4.2Å; L52-L103 HydrophobicContact CD1-CD2 4.14Å; L52-L103 HydrophobicContact CD2-CD2 3.8Å; L52-L103 HydrophobicContact CG-CD2 4.44Å; V98-L103 HydrophobicContact CG1-CB 3.95Å; T99-L103 PolarHBondContact O-N 3.29Å; S100-L103 PolarHBondContact O-N 3.03Å; N101-L103 VanDerWaalsContact C-N 3.34Å; L103-D106 PolarHBondContact O-N 2.95Å; L103-F107 WeakPolarHBondContact O-CB 3.17Å; L103-F107 PolarHBondContact O-N 3.33Å; L103-V112 HydrophobicContact CD1-CG2 3.93Å; L103-L137 HydrophobicContact CB-CD1 4.02Å; L103-L137 HydrophobicContact CD2-CD1 3.85Å; L103-L137 HydrophobicContact CG-CD1 3.91Å; L103-L137 HydrophobicContact CG-CD2 4.19Å
104V84.4Confident88.3Confident4 Ų427.6 Ų27.62%0.02416%0.155CC..Hα-helixtrans-58.6-52.1173167.40000110.9S100 I102 D106 F107 L108 L133 L137 P546S100-V104 WeakPolarHBondContact O-CG2 3.47Å; S100-V104 PolarHBondContact O-N 3.49Å; I102-V104 PolarHBondContact O-N 2.95Å; V104-D106 VanDerWaalsContact C-N 3.3Å; V104-D106 PolarHBondContact O-N 2.96Å; V104-F107 PolarHBondContact O-N 3.22Å; V104-L108 HydrophobicContact CG1-CD1 3.58Å; V104-L108 HydrophobicContact CG1-CG 4.3Å; V104-L108 VanDerWaalsContact O-CD1 3.22Å; V104-L108 WeakPolarHBondContact O-CD1 3.4Å; V104-L108 WeakPolarHBondContact O-CG 3.42Å; V104-L108 PolarHBondContact O-N 3.09Å; V104-L133 HydrophobicContact CG2-CD1 4.07Å; V104-L133 HydrophobicContact CG2-CD2 3.22Å; V104-L133 HydrophobicContact CG2-CG 3.67Å; V104-L137 HydrophobicContact CB-CD2 4.33Å; V104-L137 HydrophobicContact CG2-CD1 3.72Å; V104-L137 HydrophobicContact CG2-CD2 3.56Å; V104-L137 HydrophobicContact CG2-CG 3.53Å; V104-P546 HydrophobicContact CG1-CB 4.19Å; V104-P546 HydrophobicContact CG1-CG 4.19Å
105N81.8Confident88.2Confident50 Ų5034.8 Ų34.827%0.26719%0.187SC..Hα-helixtrans-61.8-40.7-177.5-71.2-8.2000112.2N101 I102 A109 M526N101-N105 PolarHBondContact O-N 3.47Å; I102-N105 PolarHBondContact O-N 3.5Å; N105-A109 VanDerWaalsContact O-CB 3.3Å; N105-A109 WeakPolarHBondContact O-CB 3.36Å; N105-A109 PolarHBondContact O-N 3.34Å; N105-A109 VanDerWaalsContact O-N 3.12Å; N105-M526 PolarHBondContact ND2-SD 3.33Å; N105-M526 PolarHBondContact OD1-SD 3.33Å
106D88.3Confident87.9Confident0 Ų040.8 Ų40.80%021%0.214CC..Hα-helixtrans-73.5-33.2178.9-67.9-15.9000112.2R86 Y90 I102 L103 V104 D110 R111 V112R86-D106 VanDerWaalsContact CD-OD2 3.27Å; R86-D106 WeakPolarHBondContact CD-OD2 3.26Å; R86-D106 IonicContact NH1-OD1 3.6Å; R86-D106 PolarHBondContact NH1-OD1 3.25Å; Y90-D106 HydrophobicContact CE2-CB 4.02Å; Y90-D106 WeakPolarHBondContact CE2-OD2 3.3Å; Y90-D106 PolarHBondContact OH-OD2 2.85Å; I102-D106 WeakPolarHBondContact CG2-OD2 3.16Å; I102-D106 WeakPolarHBondContact O-CB 3.25Å; I102-D106 PolarHBondContact O-N 2.81Å; L103-D106 PolarHBondContact O-N 2.95Å; V104-D106 VanDerWaalsContact C-N 3.3Å; V104-D106 PolarHBondContact O-N 2.96Å; D106-D110 PolarHBondContact O-N 3.16Å; D106-R111 HydrophobicContact CB-CB 4.19Å; D106-R111 WeakPolarHBondContact O-CB 3.49Å; D106-R111 PolarHBondContact O-N 3.37Å; D106-R111 IonicContact OD1-CZ 3.94Å; D106-R111 IonicContact OD1-NH1 2.9Å; D106-R111 PolarHBondContact OD1-NH1 3.25Å; D106-V112 HydrophobicContact CB-CG2 3.87Å
107F86Confident87.9Confident14 Ų1440.7 Ų40.76%0.06121%0.214CC..Hα-helixtrans-64-45.8173.6174.1-90.5000111.5L103 V104 D110 L114 L137 Q140 I141 K144L103-F107 WeakPolarHBondContact O-CB 3.17Å; L103-F107 PolarHBondContact O-N 3.33Å; V104-F107 PolarHBondContact O-N 3.22Å; F107-D110 PolarHBondContact O-N 3.11Å; F107-D110 VanDerWaalsContact O-N 3.11Å; F107-L114 HydrophobicContact CD2-CD1 3.75Å; F107-L114 HydrophobicContact CD2-CD2 4.01Å; F107-L114 HydrophobicContact CD2-CG 4.43Å; F107-L114 HydrophobicContact CE2-CD1 3.35Å; F107-L114 HydrophobicContact CE2-CD2 4.16Å; F107-L114 HydrophobicContact CE2-CG 4.37Å; F107-L114 HydrophobicContact CZ-CD1 4.31Å; F107-L137 HydrophobicContact CB-CD2 4.24Å; F107-L137 HydrophobicContact CG-CD2 4.4Å; F107-Q140 HydrophobicContact CE1-CB 3.76Å; F107-Q140 HydrophobicContact CE1-CG 4.06Å; F107-Q140 HydrophobicContact CE2-CB 4Å; F107-Q140 HydrophobicContact CZ-CB 3.4Å; F107-Q140 VanDerWaalsContact CZ-CB 3.4Å; F107-Q140 HydrophobicContact CZ-CG 4.18Å; F107-I141 HydrophobicContact CD2-CG1 4.09Å; F107-I141 HydrophobicContact CE2-CG1 4.04Å; F107-K144 HydrophobicContact CE2-CD 4.27Å; F107-K144 HydrophobicContact CZ-CD 4.21Å
108L77.8Confident87.9Confident56 Ų5643 Ų4329%0.29323%0.228SC..Hα-helixtrans-70.5-34.9-178.5-61.8156.3000112.8V104 D110 P546V104-L108 HydrophobicContact CG1-CD1 3.58Å; V104-L108 HydrophobicContact CG1-CG 4.3Å; V104-L108 VanDerWaalsContact O-CD1 3.22Å; V104-L108 WeakPolarHBondContact O-CD1 3.4Å; V104-L108 WeakPolarHBondContact O-CG 3.42Å; V104-L108 PolarHBondContact O-N 3.09Å; L108-D110 PolarHBondContact O-N 3.24Å; L108-P546 HydrophobicContact CD1-CB 3.38Å; L108-P546 HydrophobicContact CD1-CG 3.21Å; L108-P546 HydrophobicContact CD2-CG 3.67Å; L108-P546 HydrophobicContact CG-CG 3.95Å
109A80.8Confident87.9Confident49 Ų4942.6 Ų42.641%0.40523%0.226SC..THydrogen-bonded Turntrans-78.66.8173.800000112.5N105 R111N105-A109 VanDerWaalsContact O-CB 3.3Å; N105-A109 WeakPolarHBondContact O-CB 3.36Å; N105-A109 PolarHBondContact O-N 3.34Å; N105-A109 VanDerWaalsContact O-N 3.12Å; A109-R111 HydrophobicContact CB-CG 3.9Å; A109-R111 PolarHBondContact O-N 3.05Å; A109-R111 VanDerWaalsContact O-N 3.12Å
110D84.5Confident88.2Confident93 Ų9340 Ų4050%0.49721%0.21SC..THydrogen-bonded Turntrans51.835.6179.3-143.444.5000112.9R87 D106 F107 L108 K144R87-D110 PolarHBondContact NH1-O 2.84Å; D106-D110 PolarHBondContact O-N 3.16Å; F107-D110 PolarHBondContact O-N 3.11Å; F107-D110 VanDerWaalsContact O-N 3.11Å; L108-D110 PolarHBondContact O-N 3.24Å; D110-K144 IonicContact OD1-NZ 2.71Å; D110-K144 PolarHBondContact OD1-NZ 3.38Å; D110-K144 VanDerWaalsContact OD1-NZ 3.09Å
111R87.6Confident88.7Confident62 Ų6239 Ų3923%0.23420%0.203CC..  trans-85.1-27.2179-63.1179.3-173.61441.3112.5R87 D106 A109R87-R111 HydrophobicContact CB-CB 4.46Å; D106-R111 HydrophobicContact CB-CB 4.19Å; D106-R111 WeakPolarHBondContact O-CB 3.49Å; D106-R111 PolarHBondContact O-N 3.37Å; D106-R111 IonicContact OD1-CZ 3.94Å; D106-R111 IonicContact OD1-NH1 2.9Å; D106-R111 PolarHBondContact OD1-NH1 3.25Å; A109-R111 HydrophobicContact CB-CG 3.9Å; A109-R111 PolarHBondContact O-N 3.05Å; A109-R111 VanDerWaalsContact O-N 3.12Å
112V91Very high89.3Confident6 Ų635.2 Ų35.24%0.03618%0.183CC..SBendtrans-81123179.5-175.10000108.3L50 Y90 L103 D106 L114L50-V112 HydrophobicContact CD1-CG1 4.45Å; Y90-V112 HydrophobicContact CD2-CG2 4.21Å; Y90-V112 HydrophobicContact CE2-CG2 3.86Å; L103-V112 HydrophobicContact CD1-CG2 3.93Å; D106-V112 HydrophobicContact CB-CG2 3.87Å; V112-L114 VanDerWaalsContact C-N 3.28Å; V112-L114 HydrophobicContact CB-CD2 4.25Å; V112-L114 HydrophobicContact CB-CG 4.48Å; V112-L114 HydrophobicContact CG1-CD2 3.87Å; V112-L114 HydrophobicContact CG1-CG 4.41Å; V112-L114 PolarHBondContact O-N 3.19Å
113P91.8Very high89.6Confident19 Ų1935 Ų3512%0.12318%0.181CC..  trans-75.481.817631.4-33.2000109.9L48 L91 E115 H116 L117L48-P113 HydrophobicContact CD2-CG 3.86Å; L91-P113 HydrophobicContact CD2-CB 4.23Å; L91-P113 HydrophobicContact CD2-CG 4.18Å; P113-E115 VanDerWaalsContact C-N 3.27Å; P113-E115 PolarHBondContact O-N 2.81Å; P113-H116 PolarHBondContact O-N 3.38Å; P113-H116 VanDerWaalsContact O-N 3.1Å; P113-L117 PolarHBondContact O-N 2.96Å
114L89.8Confident89.8Confident12 Ų1237.8 Ų37.86%0.06319%0.191CC..G310 helixtrans-63.4-29.1-171.4-66.3168.9000114F107 V112 H116 L117 I141 K144 N145F107-L114 HydrophobicContact CD2-CD1 3.75Å; F107-L114 HydrophobicContact CD2-CD2 4.01Å; F107-L114 HydrophobicContact CD2-CG 4.43Å; F107-L114 HydrophobicContact CE2-CD1 3.35Å; F107-L114 HydrophobicContact CE2-CD2 4.16Å; F107-L114 HydrophobicContact CE2-CG 4.37Å; F107-L114 HydrophobicContact CZ-CD1 4.31Å; V112-L114 VanDerWaalsContact C-N 3.28Å; V112-L114 HydrophobicContact CB-CD2 4.25Å; V112-L114 HydrophobicContact CB-CG 4.48Å; V112-L114 HydrophobicContact CG1-CD2 3.87Å; V112-L114 HydrophobicContact CG1-CG 4.41Å; V112-L114 PolarHBondContact O-N 3.19Å; L114-H116 PolarHBondContact O-N 2.97Å; L114-L117 HydrophobicContact CD2-CD2 4.22Å; L114-L117 WeakPolarHBondContact O-CB 3.41Å; L114-L117 PolarHBondContact O-N 3.42Å; L114-I141 HydrophobicContact CD2-CG1 3.97Å; L114-I141 HydrophobicContact CD2-CG2 4.34Å; L114-K144 HydrophobicContact CD1-CB 4.22Å; L114-K144 HydrophobicContact CD1-CD 3.34Å; L114-K144 HydrophobicContact CD1-CG 4.41Å; L114-N145 PolarHBondContact O-ND2 3.49Å
115E89.2Confident90.3Very high171 Ų17137.6 Ų37.680%0.79919%0.19SC*.G310 helixtrans-64.3-29.2176.6-63.1177.3179.800112.4P113P113-E115 VanDerWaalsContact C-N 3.27Å; P113-E115 PolarHBondContact O-N 2.81Å
116H90Very high90.7Very high128 Ų12836.1 Ų36.159%0.59318%0.182SC*.G310 helixtrans-97.6-4.7-178.9-57.390.8000112.7P113 L114 T118P113-H116 PolarHBondContact O-N 3.38Å; P113-H116 VanDerWaalsContact O-N 3.1Å; L114-H116 PolarHBondContact O-N 2.97Å; H116-T118 PolarHBondContact O-N 3.29Å
117L94.7Very high90.7Very high2 Ų237.7 Ų37.71%0.0120%0.195CC..EExtended strand (participates in β ladder)trans-72.7112.8178179.863000109.6L48 L50 P113 L114 I120 I141 N145L48-L117 HydrophobicContact CD2-CD1 4.26Å; L48-L117 HydrophobicContact CG-CD1 4.03Å; L50-L117 HydrophobicContact CB-CD1 4.38Å; L50-L117 HydrophobicContact CD1-CD1 3.78Å; L50-L117 HydrophobicContact CD1-CD2 4.08Å; L50-L117 HydrophobicContact CG-CD1 3.62Å; P113-L117 PolarHBondContact O-N 2.96Å; L114-L117 HydrophobicContact CD2-CD2 4.22Å; L114-L117 WeakPolarHBondContact O-CB 3.41Å; L114-L117 PolarHBondContact O-N 3.42Å; L117-I120 HydrophobicContact CD2-CD1 4.15Å; L117-I120 HydrophobicContact CD2-CG1 4.12Å; L117-I141 HydrophobicContact CD2-CD1 4.4Å; L117-I141 HydrophobicContact CD2-CG2 3.78Å; L117-N145 PolarHBondContact O-ND2 2.78Å
118T94.9Very high90.8Very high51 Ų5137.3 Ų37.331%0.31319%0.193SC..EExtended strand (participates in β ladder)trans-92.6-36.7-176.7590000112.8V47 L48 H116 L149V47-T118 HydrophobicContact CG1-CG2 3.6Å; V47-T118 WeakPolarHBondContact CG1-OG1 3.35Å; L48-T118 PolarHBondContact O-N 3.11Å; L48-T118 PolarHBondContact O-OG1 3.32Å; H116-T118 PolarHBondContact O-N 3.29Å; T118-L149 PolarHBondContact O-N 3.36Å
119C95.4Very high90.9Very high0 Ų037.2 Ų37.20%019%0.191CC..EExtended strand (participates in β ladder)trans-148.3143.1-174.5-170.10000113.6Y42 A49 L50 L149Y42-C119 HydrophobicContact CD1-CB 4.24Å; Y42-C119 HydrophobicContact CE1-CB 3.8Å; Y42-C119 HydrophobicContact CE2-CB 4.12Å; A49-C119 CarbonylContact C-O 3.49Å; A49-C119 VanDerWaalsContact CA-O 3.26Å; A49-C119 WeakPolarHBondContact CA-O 3.32Å; A49-C119 HydrophobicContact CB-CB 4.27Å; L50-C119 PolarHBondContact N-O 2.92Å; C119-L149 CarbonylContact C-O 3.58Å; C119-L149 VanDerWaalsContact CA-O 3.29Å; C119-L149 WeakPolarHBondContact CA-O 3.29Å; C119-L149 HydrophobicContact CB-CB 4.41Å; C119-L149 PolarHBondContact SG-O 3.02Å
120I95.9Very high90.7Very high1 Ų143.8 Ų43.81%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-113.7120.1165.4-60.6171.2000108.8L50 L52 L117 I122 L138 I141 L149 K151L50-I120 CarbonylContact O-C 3.47Å; L50-I120 WeakPolarHBondContact O-CA 3.42Å; L52-I120 HydrophobicContact CD1-CG2 3.9Å; L52-I120 HydrophobicContact CG-CG2 4.29Å; L117-I120 HydrophobicContact CD2-CD1 4.15Å; L117-I120 HydrophobicContact CD2-CG1 4.12Å; I120-I122 HydrophobicContact CG2-CG1 4.02Å; I120-L138 HydrophobicContact CB-CD2 4.34Å; I120-L138 HydrophobicContact CD1-CD2 3.74Å; I120-L138 HydrophobicContact CG2-CD2 4.02Å; I120-I141 HydrophobicContact CD1-CB 4.39Å; I120-I141 HydrophobicContact CD1-CD1 3.57Å; I120-I141 HydrophobicContact CD1-CG2 4Å; I120-L149 PolarHBondContact N-O 3.45Å; I120-K151 PolarHBondContact O-N 3.36Å
121L96.8Very high90.1Very high0 Ų040.7 Ų40.70%019%0.191CC..EExtended strand (participates in β ladder)trans-101.4119.6176.7-71.8146.6000108.8F35 H38 L39 Y42 A49 L50 V51 L52 K151 F153F35-L121 HydrophobicContact CE2-CB 4.11Å; F35-L121 HydrophobicContact CE2-CD2 4.45Å; F35-L121 HydrophobicContact CZ-CB 4.13Å; H38-L121 HydrophobicContact CB-CD2 3.98Å; L39-L121 HydrophobicContact CD2-CD1 3.84Å; Y42-L121 HydrophobicContact CD2-CD1 3.98Å; Y42-L121 HydrophobicContact CE2-CD1 4.45Å; A49-L121 HydrophobicContact CB-CD1 4.38Å; L50-L121 PolarHBondContact O-N 3.35Å; V51-L121 CarbonylContact C-O 3.59Å; V51-L121 WeakPolarHBondContact CA-O 3.14Å; V51-L121 HydrophobicContact CG2-CB 4.07Å; V51-L121 HydrophobicContact CG2-CD1 4.2Å; L52-L121 PolarHBondContact N-O 3.14Å; L121-K151 CarbonylContact C-O 3.6Å; L121-K151 WeakPolarHBondContact CA-O 3.36Å; L121-K151 HydrophobicContact CD2-CB 3.92Å; L121-K151 HydrophobicContact CD2-CD 4.11Å; L121-F153 HydrophobicContact CD2-CE2 4.02Å
122I95.9Very high89.4Confident4 Ų438 Ų382%0.02118%0.182CC..EExtended strand (participates in β ladder)trans-107.9107.7-178.6-55.9171.6000108.6I120 A125 L138 V150 K151 A152 F153 L174I120-I122 HydrophobicContact CG2-CG1 4.02Å; I122-A125 HydrophobicContact CG2-CB 4.19Å; I122-L138 HydrophobicContact CD1-CD1 3.58Å; I122-L138 HydrophobicContact CD1-CD2 4.14Å; I122-L138 HydrophobicContact CD1-CG 4.42Å; I122-V150 HydrophobicContact CD1-CG1 3.9Å; I122-K151 PolarHBondContact N-O 3.36Å; I122-A152 HydrophobicContact CB-CB 4.17Å; I122-A152 HydrophobicContact CD1-CB 4.48Å; I122-F153 PolarHBondContact O-N 2.72Å; I122-L174 HydrophobicContact CD1-CD2 3.63Å
123Y95.3Very high88.9Confident12 Ų1238 Ų385%0.04718%0.181CC..THydrogen-bonded Turntrans-79.1143.6168.4-164.8-116.9000109.7Y31 F35 L52 A54 D58 F62 A125Y31-Y123 HydrophobicContact CD1-CE2 4.12Å; Y31-Y123 HydrophobicContact CE1-CD2 4.09Å; Y31-Y123 HydrophobicContact CE1-CE1 4.45Å; Y31-Y123 AromaticContact CE1-CE2 3.18Å; Y31-Y123 HydrophobicContact CE1-CE2 3.18Å; Y31-Y123 AromaticContact CE1-CZ 3.42Å; Y31-Y123 VanDerWaalsContact CE1-CZ 3.42Å; Y31-Y123 WeakPolarHBondContact CE1-OH 3.46Å; Y31-Y123 HydrophobicContact CE2-CE2 4.47Å; Y31-Y123 AromaticContact CZ-CD2 3.82Å; Y31-Y123 AromaticContact CZ-CE2 3.39Å; Y31-Y123 AromaticContact CZ-CZ 3.99Å; Y31-Y123 VanDerWaalsContact OH-CD2 3.28Å; Y31-Y123 WeakPolarHBondContact OH-CD2 3.44Å; Y31-Y123 VanDerWaalsContact OH-CE2 3.27Å; Y31-Y123 WeakPolarHBondContact OH-CE2 3.36Å; F35-Y123 HydrophobicContact CD1-CD2 4.1Å; F35-Y123 AromaticContact CD2-CD2 3.91Å; F35-Y123 HydrophobicContact CD2-CD2 3.91Å; F35-Y123 HydrophobicContact CE1-CD2 4.22Å; F35-Y123 HydrophobicContact CE2-CD2 4.05Å; F35-Y123 AromaticContact CG-CD2 3.94Å; F35-Y123 HydrophobicContact CG-CD2 3.94Å; F35-Y123 HydrophobicContact CG-CE2 4.35Å; F35-Y123 HydrophobicContact CZ-CD2 4.21Å; F35-Y123 HydrophobicContact CZ-CG 4.5Å; L52-Y123 WeakPolarHBondContact O-CB 3.33Å; L52-Y123 PolarHBondContact O-N 3.23Å; A54-Y123 HydrophobicContact CB-CD1 4.23Å; D58-Y123 HydrophobicContact CB-CE1 4.33Å; D58-Y123 WeakPolarHBondContact OD2-CE1 3.02Å; F62-Y123 HydrophobicContact CE2-CE2 4.32Å; F62-Y123 HydrophobicContact CZ-CE2 4.02Å; Y123-A125 PolarHBondContact O-N 3.48Å
124R94.1Very high88.6Confident59 Ų5937.6 Ų37.622%0.22318%0.178CC..THydrogen-bonded Turntrans50.454.7-177.4-67.2-176.7-101.3169.6-19.1113.8Y31 E55 D58 H126 A127 F153Y31-R124 PolarHBondContact OH-N 2.91Å; E55-R124 IonicContact OE1-CZ 2.81Å; E55-R124 IonicContact OE1-NH1 2.89Å; E55-R124 PolarHBondContact OE1-NH1 3.08Å; E55-R124 IonicContact OE1-NH2 3.58Å; E55-R124 PolarHBondContact OE1-NH2 3.39Å; E55-R124 IonicContact OE2-NH2 2.91Å; D58-R124 IonicContact OD2-CZ 3.47Å; D58-R124 IonicContact OD2-NE 3.86Å; D58-R124 IonicContact OD2-NH2 3.53Å; D58-R124 PolarHBondContact OD2-NH2 2.96Å; R124-H126 PolarHBondContact O-N 2.92Å; R124-A127 VanDerWaalsContact O-CB 3.32Å; R124-A127 WeakPolarHBondContact O-CB 3.29Å; R124-A127 PolarHBondContact O-N 2.95Å; R124-F153 WeakPolarHBondContact CA-O 3.49Å; R124-F153 PolarHBondContact N-O 3.26Å; R124-F153 VanDerWaalsContact N-O 3.12Å
125A94Very high88.2Confident1 Ų137.4 Ų37.41%0.00818%0.179CC..G310 helixtrans-55-21.2-175.700000115.2L22 I122 Y123 A127 V128 A152 F153 L174L22-A125 HydrophobicContact CD1-CB 3.73Å; I122-A125 HydrophobicContact CG2-CB 4.19Å; Y123-A125 PolarHBondContact O-N 3.48Å; A125-A127 PolarHBondContact O-N 3Å; A125-A127 VanDerWaalsContact O-N 3.11Å; A125-V128 WeakPolarHBondContact O-CB 2.78Å; A125-V128 VanDerWaalsContact O-CG1 3.27Å; A125-V128 WeakPolarHBondContact O-CG1 3.39Å; A125-V128 PolarHBondContact O-N 3.16Å; A125-V128 VanDerWaalsContact O-N 3.14Å; A125-A152 HydrophobicContact CB-CB 3.84Å; A125-F153 PolarHBondContact N-O 3.35Å; A125-L174 HydrophobicContact CB-CD1 4.07Å
126H91.7Very high87.9Confident18 Ų1829.8 Ų29.88%0.08314%0.143CC..G310 helixtrans-61.3-15.2172.162.6-93000113.9R124 V128 F129 S154 A159 F160R124-H126 PolarHBondContact O-N 2.92Å; H126-V128 PolarHBondContact O-N 3.37Å; H126-F129 WeakPolarHBondContact O-CD2 3.45Å; H126-S154 PolarHBondContact ND1-OG 2.77Å; H126-A159 HydrophobicContact CB-CB 3.76Å; H126-F160 HydrophobicContact CB-CE2 4.06Å; H126-F160 HydrophobicContact CB-CZ 3.94Å
127A88.5Confident87.7Confident33 Ų3323.7 Ų23.727%0.27312%0.115SC..G310 helixtrans-65.1-19.9173.800000113.3R124 A125 F129 R130 S131R124-A127 VanDerWaalsContact O-CB 3.32Å; R124-A127 WeakPolarHBondContact O-CB 3.29Å; R124-A127 PolarHBondContact O-N 2.95Å; A125-A127 PolarHBondContact O-N 3Å; A125-A127 VanDerWaalsContact O-N 3.11Å; A127-F129 PolarHBondContact O-N 3.48Å; A127-F129 VanDerWaalsContact O-N 3.11Å; A127-R130 WeakPolarHBondContact O-CB 3.44Å; A127-R130 PolarHBondContact O-N 3.12Å; A127-S131 PolarHBondContact O-N 3.3Å
128V86.2Confident87.5Confident6 Ų623.7 Ų23.74%0.03612%0.115CC..G310 helixtrans-58.7-26178.677.20000112.9A125 H126 R130 A135 L173 L174A125-V128 WeakPolarHBondContact O-CB 2.78Å; A125-V128 VanDerWaalsContact O-CG1 3.27Å; A125-V128 WeakPolarHBondContact O-CG1 3.39Å; A125-V128 PolarHBondContact O-N 3.16Å; A125-V128 VanDerWaalsContact O-N 3.14Å; H126-V128 PolarHBondContact O-N 3.37Å; V128-R130 PolarHBondContact O-N 3.24Å; V128-A135 HydrophobicContact CG2-CB 4.25Å; V128-L173 HydrophobicContact CG2-CB 3.71Å; V128-L173 HydrophobicContact CG2-CD1 4.15Å; V128-L174 HydrophobicContact CB-CD2 4.08Å; V128-L174 HydrophobicContact CB-CG 4.47Å; V128-L174 HydrophobicContact CG1-CD2 4.44Å; V128-L174 HydrophobicContact CG1-CG 4.34Å; V128-L174 HydrophobicContact CG2-CD2 3.99Å; V128-L174 HydrophobicContact CG2-CG 4.31Å
129F81.6Confident87Confident54 Ų5421.9 Ų21.924%0.23711%0.107CC..G310 helixtrans-73.1-14.9175.4-60.2-58.4000113.9H126 A127 F160 K166 A170H126-F129 WeakPolarHBondContact O-CD2 3.45Å; A127-F129 PolarHBondContact O-N 3.48Å; A127-F129 VanDerWaalsContact O-N 3.11Å; F129-F160 AromaticContact CE2-CD1 3.61Å; F129-F160 HydrophobicContact CE2-CD1 3.61Å; F129-F160 AromaticContact CE2-CE1 3.72Å; F129-F160 HydrophobicContact CE2-CE1 3.72Å; F129-F160 HydrophobicContact CE2-CG 4.29Å; F129-F160 AromaticContact CZ-CD1 3.64Å; F129-F160 HydrophobicContact CZ-CD1 3.64Å; F129-F160 AromaticContact CZ-CE1 3.99Å; F129-F160 HydrophobicContact CZ-CE1 3.99Å; F129-K166 HydrophobicContact CE1-CB 4.4Å; F129-K166 HydrophobicContact CE1-CD 4.46Å; F129-K166 HydrophobicContact CZ-CB 4.27Å; F129-K166 HydrophobicContact CZ-CD 4.44Å; F129-A170 HydrophobicContact CE1-CB 3.98Å; F129-A170 HydrophobicContact CZ-CB 3.69Å
130R75.2Confident86.5Confident187 Ų18723.2 Ų23.271%0.70611%0.113SC*.THydrogen-bonded Turntrans-104.4-22.4-177.7-60.3-177-175.7176.72.5113.1A127 V128A127-R130 WeakPolarHBondContact O-CB 3.44Å; A127-R130 PolarHBondContact O-N 3.12Å; V128-R130 PolarHBondContact O-N 3.24Å
131S73Confident86.2Confident29 Ų2923.3 Ų23.320%0.20311%0.113CC..  trans-137.4114.5-174.9-176.50000109.5A127 L133A127-S131 PolarHBondContact O-N 3.3Å; S131-L133 PolarHBondContact O-N 3.29Å; S131-L133 WeakPolarHBondContact OG-CB 3.46Å
132A72Confident85.8Confident5 Ų526.4 Ų26.44%0.04113%0.125CC..Hα-helixtrans-72.9-13.3174.900000112.7D134 A135 F136 S531A132-D134 PolarHBondContact O-N 2.73Å; A132-A135 PolarHBondContact O-N 3.26Å; A132-F136 WeakPolarHBondContact O-CB 3.47Å; A132-F136 PolarHBondContact O-N 3.37Å; A132-S531 WeakPolarHBondContact CB-O 3.47Å
133L80.9Confident85.4Confident5 Ų532.2 Ų32.23%0.02615%0.15CC..Hα-helixtrans-59.9-43.7-177.6-166165.9000111.9N101 V104 S131 F136 L137 F529N101-L133 WeakPolarHBondContact OD1-CD1 3.39Å; V104-L133 HydrophobicContact CG2-CD1 4.07Å; V104-L133 HydrophobicContact CG2-CD2 3.22Å; V104-L133 HydrophobicContact CG2-CG 3.67Å; S131-L133 PolarHBondContact O-N 3.29Å; S131-L133 WeakPolarHBondContact OG-CB 3.46Å; L133-F136 PolarHBondContact O-N 3.14Å; L133-L137 HydrophobicContact CD2-CD1 3.47Å; L133-L137 VanDerWaalsContact CD2-CD1 3.47Å; L133-L137 HydrophobicContact CD2-CG 3.92Å; L133-L137 WeakPolarHBondContact O-CB 3.43Å; L133-L137 PolarHBondContact O-N 3.42Å; L133-F529 HydrophobicContact CB-CB 3.98Å; L133-F529 HydrophobicContact CD1-CB 3.76Å; L133-F529 HydrophobicContact CG-CB 3.88Å; L133-F529 HydrophobicContact CG-CG 4.45Å; L133-F529 PolarHBondContact N-O 3.29Å; L133-F529 VanDerWaalsContact N-O 3.16Å
134D84.8Confident85Confident11 Ų1137.3 Ų37.36%0.05917%0.173CC..Hα-helixtrans-64.1-45178.9-65.8-17.4000110.4S100 A132 F136 L137 L138S100-D134 WeakPolarHBondContact CB-OD1 3.36Å; S100-D134 PolarHBondContact OG-OD1 3.28Å; A132-D134 PolarHBondContact O-N 2.73Å; D134-F136 VanDerWaalsContact C-N 3.34Å; D134-F136 PolarHBondContact O-N 2.73Å; D134-L137 PolarHBondContact O-N 3.23Å; D134-L138 WeakPolarHBondContact O-CB 3.35Å; D134-L138 WeakPolarHBondContact O-CG 3.22Å; D134-L138 PolarHBondContact O-N 3.3Å
135A82Confident84.9Confident9 Ų935.4 Ų35.47%0.07417%0.167CC..Hα-helixtrans-63.4-39.5177.100000112.3V128 A132 G139 L173V128-A135 HydrophobicContact CG2-CB 4.25Å; A132-A135 PolarHBondContact O-N 3.26Å; A135-G139 PolarHBondContact O-N 2.89Å; A135-L173 WeakPolarHBondContact CA-O 2.86Å; A135-L173 HydrophobicContact CB-CB 3.93Å; A135-L173 HydrophobicContact CB-CD2 3.68Å; A135-L173 HydrophobicContact CB-CG 4.36Å; A135-L173 WeakPolarHBondContact CB-O 3.47Å
136F82Confident84.6Confident10 Ų1038.7 Ų38.74%0.04419%0.194CC..Hα-helixtrans-62.3-50174.9172.2-98.3000111.4A132 L133 D134 L138 G139 Q140 F529 H538 I544A132-F136 WeakPolarHBondContact O-CB 3.47Å; A132-F136 PolarHBondContact O-N 3.37Å; L133-F136 PolarHBondContact O-N 3.14Å; D134-F136 VanDerWaalsContact C-N 3.34Å; D134-F136 PolarHBondContact O-N 2.73Å; F136-L138 PolarHBondContact O-N 3.34Å; F136-G139 PolarHBondContact O-N 2.84Å; F136-Q140 HydrophobicContact CD1-CG 4.45Å; F136-Q140 HydrophobicContact CE1-CG 4.01Å; F136-Q140 HydrophobicContact CE2-CG 4.1Å; F136-Q140 VanDerWaalsContact CE2-NE2 3.34Å; F136-Q140 HydrophobicContact CZ-CG 3.81Å; F136-Q140 WeakPolarHBondContact O-CG 3.12Å; F136-Q140 PolarHBondContact O-N 2.77Å; F136-F529 HydrophobicContact CD1-CD1 4.23Å; F136-F529 AromaticContact CD1-CE1 3.87Å; F136-F529 HydrophobicContact CD1-CE1 3.87Å; F136-F529 AromaticContact CE1-CE1 3.88Å; F136-F529 HydrophobicContact CE1-CE1 3.88Å; F136-F529 HydrophobicContact CG-CD1 4.49Å; F136-F529 HydrophobicContact CG-CE1 4.21Å; F136-F529 HydrophobicContact CZ-CE1 4.24Å; F136-H538 HydrophobicContact CE2-CB 4.1Å; F136-I544 HydrophobicContact CE2-CD1 4.38Å
137L87.7Confident84.5Confident1 Ų144.7 Ų44.71%0.00523%0.227CC..Hα-helixtrans-57.2-50.1177.8-85.4175.3000111.9L103 V104 F107 L133 D134 G139 Q140 I141L103-L137 HydrophobicContact CB-CD1 4.02Å; L103-L137 HydrophobicContact CD2-CD1 3.85Å; L103-L137 HydrophobicContact CG-CD1 3.91Å; L103-L137 HydrophobicContact CG-CD2 4.19Å; V104-L137 HydrophobicContact CB-CD2 4.33Å; V104-L137 HydrophobicContact CG2-CD1 3.72Å; V104-L137 HydrophobicContact CG2-CD2 3.56Å; V104-L137 HydrophobicContact CG2-CG 3.53Å; F107-L137 HydrophobicContact CB-CD2 4.24Å; F107-L137 HydrophobicContact CG-CD2 4.4Å; L133-L137 HydrophobicContact CD2-CD1 3.47Å; L133-L137 VanDerWaalsContact CD2-CD1 3.47Å; L133-L137 HydrophobicContact CD2-CG 3.92Å; L133-L137 WeakPolarHBondContact O-CB 3.43Å; L133-L137 PolarHBondContact O-N 3.42Å; D134-L137 PolarHBondContact O-N 3.23Å; L137-G139 VanDerWaalsContact C-N 3.29Å; L137-G139 PolarHBondContact O-N 3.1Å; L137-Q140 PolarHBondContact O-N 2.93Å; L137-Q140 VanDerWaalsContact O-N 3.15Å; L137-I141 WeakPolarHBondContact O-CB 3.36Å; L137-I141 VanDerWaalsContact O-CG1 3.24Å; L137-I141 WeakPolarHBondContact O-CG1 3.45Å; L137-I141 PolarHBondContact O-N 3.24Å
138L89.2Confident84.7Confident1 Ų143.2 Ų43.21%0.00521%0.214CC..Hα-helixtrans-57.4-46.5178.4-68167.4000110.5I120 I122 D134 F136 Q140 I141 R142 V150 L174 Q175I120-L138 HydrophobicContact CB-CD2 4.34Å; I120-L138 HydrophobicContact CD1-CD2 3.74Å; I120-L138 HydrophobicContact CG2-CD2 4.02Å; I122-L138 HydrophobicContact CD1-CD1 3.58Å; I122-L138 HydrophobicContact CD1-CD2 4.14Å; I122-L138 HydrophobicContact CD1-CG 4.42Å; D134-L138 WeakPolarHBondContact O-CB 3.35Å; D134-L138 WeakPolarHBondContact O-CG 3.22Å; D134-L138 PolarHBondContact O-N 3.3Å; F136-L138 PolarHBondContact O-N 3.34Å; L138-Q140 VanDerWaalsContact C-N 3.31Å; L138-Q140 PolarHBondContact O-N 3.26Å; L138-I141 PolarHBondContact O-N 3.44Å; L138-R142 PolarHBondContact O-N 2.98Å; L138-V150 HydrophobicContact CD2-CG1 4.14Å; L138-V150 HydrophobicContact CD2-CG2 4Å; L138-L174 HydrophobicContact CD1-CD2 4.2Å; L138-Q175 PolarHBondContact O-OE1 2.78Å
139G84.9Confident85.2Confident14 Ų1444.9 Ų44.914%0.14422%0.223CC..Hα-helixtrans-54.8-43.1175.800000113.8A135 F136 L137 K143 Q175A135-G139 PolarHBondContact O-N 2.89Å; F136-G139 PolarHBondContact O-N 2.84Å; L137-G139 VanDerWaalsContact C-N 3.29Å; L137-G139 PolarHBondContact O-N 3.1Å; G139-K143 WeakPolarHBondContact O-CG 3.13Å; G139-K143 PolarHBondContact O-N 3.11Å; G139-Q175 VanDerWaalsContact CA-OE1 3.31Å
140Q84.4Confident85.8Confident28 Ų2842.3 Ų42.313%0.13121%0.211CC..Hα-helixtrans-72.3-42.3177.9-66.3-60.5-1700112.9F107 F136 L137 L138 K143 K144 H538F107-Q140 HydrophobicContact CE1-CB 3.76Å; F107-Q140 HydrophobicContact CE1-CG 4.06Å; F107-Q140 HydrophobicContact CE2-CB 4Å; F107-Q140 HydrophobicContact CZ-CB 3.4Å; F107-Q140 VanDerWaalsContact CZ-CB 3.4Å; F107-Q140 HydrophobicContact CZ-CG 4.18Å; F136-Q140 HydrophobicContact CD1-CG 4.45Å; F136-Q140 HydrophobicContact CE1-CG 4.01Å; F136-Q140 HydrophobicContact CE2-CG 4.1Å; F136-Q140 VanDerWaalsContact CE2-NE2 3.34Å; F136-Q140 HydrophobicContact CZ-CG 3.81Å; F136-Q140 WeakPolarHBondContact O-CG 3.12Å; F136-Q140 PolarHBondContact O-N 2.77Å; L137-Q140 PolarHBondContact O-N 2.93Å; L137-Q140 VanDerWaalsContact O-N 3.15Å; L138-Q140 VanDerWaalsContact C-N 3.31Å; L138-Q140 PolarHBondContact O-N 3.26Å; Q140-K143 PolarHBondContact O-N 2.91Å; Q140-K144 PolarHBondContact O-N 2.88Å; Q140-K144 VanDerWaalsContact O-N 3.17Å; Q140-H538 PolarHBondContact NE2-CD2 3.39Å; Q140-H538 PolarHBondContact NE2-CE1 3Å; Q140-H538 PolarHBondContact NE2-ND1 2.85Å; Q140-H538 PolarHBondContact NE2-NE2 3.3Å
141I90.2Very high86.9Confident2 Ų233.4 Ų33.41%0.0118%0.178CC..Hα-helixtrans-63.9-46-179.4-67.7169.5000109.5F107 L114 L117 I120 L137 L138 K143 K144 N145 C148F107-I141 HydrophobicContact CD2-CG1 4.09Å; F107-I141 HydrophobicContact CE2-CG1 4.04Å; L114-I141 HydrophobicContact CD2-CG1 3.97Å; L114-I141 HydrophobicContact CD2-CG2 4.34Å; L117-I141 HydrophobicContact CD2-CD1 4.4Å; L117-I141 HydrophobicContact CD2-CG2 3.78Å; I120-I141 HydrophobicContact CD1-CB 4.39Å; I120-I141 HydrophobicContact CD1-CD1 3.57Å; I120-I141 HydrophobicContact CD1-CG2 4Å; L137-I141 WeakPolarHBondContact O-CB 3.36Å; L137-I141 VanDerWaalsContact O-CG1 3.24Å; L137-I141 WeakPolarHBondContact O-CG1 3.45Å; L137-I141 PolarHBondContact O-N 3.24Å; L138-I141 PolarHBondContact O-N 3.44Å; I141-K143 VanDerWaalsContact C-N 3.29Å; I141-K143 PolarHBondContact O-N 3.24Å; I141-K144 PolarHBondContact O-N 3.38Å; I141-K144 VanDerWaalsContact O-N 3.17Å; I141-N145 PolarHBondContact O-N 3.2Å; I141-C148 HydrophobicContact CG2-CB 4.31Å
142R88.8Confident88Confident65 Ų6532 Ų3225%0.24517%0.168CC..Hα-helixtrans-65.3-29.4177.8-72-160.269.8-174-2.8113.6L138 N145 A146 Q175L138-R142 PolarHBondContact O-N 2.98Å; R142-N145 WeakPolarHBondContact CA-O 2.9Å; R142-N145 CarbonylContact O-C 3.5Å; R142-A146 WeakPolarHBondContact O-CA 3.43Å; R142-A146 PolarHBondContact O-N 3.15Å; R142-Q175 VanDerWaalsContact CG-OE1 3.26Å; R142-Q175 PolarHBondContact NH1-O 3.44Å
143K86Confident89.2Confident126 Ų12631.8 Ų31.855%0.54817%0.166SC..Hα-helixtrans-66.1-41.3172.7-80.1-177-179.6-159.90112.1G139 Q140 I141 H538G139-K143 WeakPolarHBondContact O-CG 3.13Å; G139-K143 PolarHBondContact O-N 3.11Å; Q140-K143 PolarHBondContact O-N 2.91Å; I141-K143 VanDerWaalsContact C-N 3.29Å; I141-K143 PolarHBondContact O-N 3.24Å; K143-H538 PolarHBondContact NZ-CE1 2.9Å; K143-H538 PolarHBondContact NZ-NE2 3.28Å
144K88.1Confident89.9Confident120 Ų12031.6 Ų31.652%0.52217%0.165SC..Hα-helixtrans-81.5-36.6179.2-78.4-172.1168-170.60112.9F107 D110 L114 Q140 I141F107-K144 HydrophobicContact CE2-CD 4.27Å; F107-K144 HydrophobicContact CZ-CD 4.21Å; D110-K144 IonicContact OD1-NZ 2.71Å; D110-K144 PolarHBondContact OD1-NZ 3.38Å; D110-K144 VanDerWaalsContact OD1-NZ 3.09Å; L114-K144 HydrophobicContact CD1-CB 4.22Å; L114-K144 HydrophobicContact CD1-CD 3.34Å; L114-K144 HydrophobicContact CD1-CG 4.41Å; Q140-K144 PolarHBondContact O-N 2.88Å; Q140-K144 VanDerWaalsContact O-N 3.17Å; I141-K144 PolarHBondContact O-N 3.38Å; I141-K144 VanDerWaalsContact O-N 3.17Å
145N91.3Very high90.3Very high18 Ų1831.2 Ų31.210%0.09616%0.163CC..  trans-133.896179.2179.9-2000109.8L114 L117 I141 R142 N147 C148L114-N145 PolarHBondContact O-ND2 3.49Å; L117-N145 PolarHBondContact O-ND2 2.78Å; I141-N145 PolarHBondContact O-N 3.2Å; R142-N145 WeakPolarHBondContact CA-O 2.9Å; R142-N145 CarbonylContact O-C 3.5Å; N145-N147 PolarHBondContact O-N 2.81Å; N145-N147 WeakPolarHBondContact OD1-CB 3.31Å; N145-N147 PolarHBondContact OD1-N 3.12Å; N145-C148 HydrophobicContact CB-CB 4.4Å; N145-C148 PolarHBondContact O-N 2.98Å; N145-C148 PolarHBondContact OD1-N 2.79Å
146A87.8Confident90.8Very high71 Ų7133.3 Ų33.359%0.58717%0.172SC*.THydrogen-bonded Turntrans-69.3-19.7179.100000113.6R142R142-A146 WeakPolarHBondContact O-CA 3.43Å; R142-A146 PolarHBondContact O-N 3.15Å
147N90.3Very high91.3Very high144 Ų14433.1 Ų33.177%0.7717%0.171SC*.THydrogen-bonded Turntrans-85.9-10.7-177.8-64.3-18.4000113N145 L149N145-N147 PolarHBondContact O-N 2.81Å; N145-N147 WeakPolarHBondContact OD1-CB 3.31Å; N145-N147 PolarHBondContact OD1-N 3.12Å; N147-L149 PolarHBondContact O-N 2.88Å
148C93.2Very high91.3Very high1 Ų136 Ų361%0.00719%0.186CC..  trans-64.5118.8177.3177.70000110.6I141 N145I141-C148 HydrophobicContact CG2-CB 4.31Å; N145-C148 HydrophobicContact CB-CB 4.4Å; N145-C148 PolarHBondContact O-N 2.98Å; N145-C148 PolarHBondContact OD1-N 2.79Å
149L95.1Very high91.2Very high41 Ų4136.3 Ų36.322%0.21519%0.189CC..EExtended strand (participates in β ladder)trans-76.8139178.9-67.6173000111.4N20 T118 C119 I120 N147N20-L149 VanDerWaalsContact OD1-CA 3.29Å; N20-L149 WeakPolarHBondContact OD1-CA 3.11Å; T118-L149 PolarHBondContact O-N 3.36Å; C119-L149 CarbonylContact C-O 3.58Å; C119-L149 VanDerWaalsContact CA-O 3.29Å; C119-L149 WeakPolarHBondContact CA-O 3.29Å; C119-L149 HydrophobicContact CB-CB 4.41Å; C119-L149 PolarHBondContact SG-O 3.02Å; I120-L149 PolarHBondContact N-O 3.45Å; N147-L149 PolarHBondContact O-N 2.88Å
150V95.6Very high91.5Very high0 Ų035.7 Ų35.70%018%0.182CC..EExtended strand (participates in β ladder)trans-112.9118.3173.5-175.30000110.1N20 F21 I122 L138 L174 V176N20-V150 CarbonylContact C-O 3.57Å; N20-V150 VanDerWaalsContact CA-O 3.25Å; N20-V150 WeakPolarHBondContact CA-O 3.46Å; N20-V150 PolarHBondContact OD1-N 3.33Å; F21-V150 PolarHBondContact N-O 2.83Å; F21-V150 VanDerWaalsContact N-O 3.07Å; I122-V150 HydrophobicContact CD1-CG1 3.9Å; L138-V150 HydrophobicContact CD2-CG1 4.14Å; L138-V150 HydrophobicContact CD2-CG2 4Å; V150-L174 WeakPolarHBondContact CG1-O 3.47Å; V150-V176 HydrophobicContact CB-CG1 4.38Å; V150-V176 HydrophobicContact CG1-CG1 4.12Å
151K96.9Very high91.6Very high0 Ų034.5 Ų34.50%018%0.178CC..EExtended strand (participates in β ladder)trans-120.2108.7179.9-60.9-175.6179.7-74.60109.7T16 F17 F21 Y42 I120 L121 I122 F153T16-K151 PolarHBondContact O-NZ 3.3Å; F17-K151 PolarHBondContact O-NZ 3.44Å; F21-K151 HydrophobicContact CD1-CB 4.41Å; F21-K151 HydrophobicContact CD1-CG 4.09Å; F21-K151 HydrophobicContact CE1-CB 3.74Å; F21-K151 HydrophobicContact CE1-CD 3.77Å; F21-K151 HydrophobicContact CE1-CG 3.5Å; F21-K151 VanDerWaalsContact CE1-CG 3.5Å; F21-K151 HydrophobicContact CZ-CB 3.97Å; F21-K151 HydrophobicContact CZ-CD 4.37Å; F21-K151 HydrophobicContact CZ-CG 4.21Å; Y42-K151 HydrophobicContact CE2-CD 4.29Å; Y42-K151 WeakPolarHBondContact OH-CE 2.78Å; I120-K151 PolarHBondContact O-N 3.36Å; L121-K151 CarbonylContact C-O 3.6Å; L121-K151 WeakPolarHBondContact CA-O 3.36Å; L121-K151 HydrophobicContact CD2-CB 3.92Å; L121-K151 HydrophobicContact CD2-CD 4.11Å; I122-K151 PolarHBondContact N-O 3.36Å; K151-F153 HydrophobicContact CB-CE2 3.94Å
152A96.7Very high91.1Very high0 Ų038 Ų380%019%0.194CC..EExtended strand (participates in β ladder)trans-112.8135.5-172.900000111.6F21 L22 L23 I122 A125 L174F21-A152 PolarHBondContact O-N 3.1Å; L22-A152 CarbonylContact C-O 3.56Å; L22-A152 WeakPolarHBondContact CA-O 3.36Å; L22-A152 HydrophobicContact CB-CB 4.43Å; L22-A152 HydrophobicContact CD1-CB 3.88Å; L23-A152 PolarHBondContact N-O 2.79Å; I122-A152 HydrophobicContact CB-CB 4.17Å; I122-A152 HydrophobicContact CD1-CB 4.48Å; A125-A152 HydrophobicContact CB-CB 3.84Å; A152-L174 HydrophobicContact CB-CD1 3.96Å
153F97.3Very high90.4Very high1 Ų136.9 Ų36.90%0.00420%0.202CC..EExtended strand (participates in β ladder)trans-128.8134.8-174.2-64.3-100.1000111.5F21 L23 Y31 L34 F35 H38 L121 I122 R124 A125 K151F21-F153 HydrophobicContact CE2-CD1 4.49Å; F21-F153 AromaticContact CE2-CE1 3.95Å; F21-F153 HydrophobicContact CE2-CE1 3.95Å; F21-F153 HydrophobicContact CE2-CE2 4.25Å; F21-F153 AromaticContact CE2-CZ 3.83Å; F21-F153 HydrophobicContact CE2-CZ 3.83Å; F21-F153 AromaticContact CZ-CE1 3.97Å; F21-F153 HydrophobicContact CZ-CE1 3.97Å; F21-F153 AromaticContact CZ-CE2 3.94Å; F21-F153 HydrophobicContact CZ-CE2 3.94Å; F21-F153 AromaticContact CZ-CZ 3.45Å; F21-F153 HydrophobicContact CZ-CZ 3.45Å; F21-F153 VanDerWaalsContact CZ-CZ 3.45Å; L23-F153 HydrophobicContact CB-CD1 4.19Å; L23-F153 HydrophobicContact CD2-CD1 3.92Å; L23-F153 HydrophobicContact CD2-CE1 3.89Å; Y31-F153 HydrophobicContact CE2-CB 3.7Å; Y31-F153 PolarHBondContact OH-O 3.36Å; L34-F153 HydrophobicContact CB-CE1 4.49Å; F35-F153 HydrophobicContact CD2-CB 4.2Å; F35-F153 HydrophobicContact CD2-CD1 4.47Å; F35-F153 AromaticContact CD2-CD2 3.54Å; F35-F153 HydrophobicContact CD2-CD2 3.54Å; F35-F153 AromaticContact CD2-CE2 3.92Å; F35-F153 HydrophobicContact CD2-CE2 3.92Å; F35-F153 AromaticContact CD2-CG 3.84Å; F35-F153 HydrophobicContact CD2-CG 3.84Å; F35-F153 AromaticContact CE2-CD2 3.9Å; F35-F153 HydrophobicContact CE2-CD2 3.9Å; F35-F153 HydrophobicContact CE2-CE2 4.3Å; H38-F153 HydrophobicContact CB-CZ 4.11Å; H38-F153 AromaticContact CE1-CZ 3.85Å; H38-F153 AromaticContact CG-CZ 3.65Å; H38-F153 AromaticContact ND1-CE1 3.92Å; H38-F153 AromaticContact ND1-CZ 3.5Å; L121-F153 HydrophobicContact CD2-CE2 4.02Å; I122-F153 PolarHBondContact O-N 2.72Å; R124-F153 WeakPolarHBondContact CA-O 3.49Å; R124-F153 PolarHBondContact N-O 3.26Å; R124-F153 VanDerWaalsContact N-O 3.12Å; A125-F153 PolarHBondContact N-O 3.35Å; K151-F153 HydrophobicContact CB-CE2 3.94Å
154S95.9Very high89.9Confident0 Ų039.1 Ų39.10%022%0.219CC..EExtended strand (participates in β ladder)trans-146.4141.4172.9-168.20000113.2L23 I24 T25 H126 Q156 F160L23-S154 PolarHBondContact O-N 2.65Å; I24-S154 CarbonylContact C-O 3.59Å; I24-S154 WeakPolarHBondContact CA-O 3.02Å; T25-S154 PolarHBondContact N-O 3.12Å; H126-S154 PolarHBondContact ND1-OG 2.77Å; S154-Q156 PolarHBondContact OG-N 2.83Å; S154-F160 WeakPolarHBondContact OG-CE2 3.44Å
155D94Very high89.6Confident3 Ų334.8 Ų34.82%0.01621%0.208CC..SBendtrans-101.49.6172.974.4-36.1000113Y31 P157 R420Y31-D155 HydrophobicContact CD1-CB 4.07Å; Y31-D155 HydrophobicContact CD2-CB 4.04Å; Y31-D155 HydrophobicContact CE1-CB 4.38Å; Y31-D155 HydrophobicContact CE2-CB 4.37Å; Y31-D155 HydrophobicContact CG-CB 3.88Å; D155-P157 VanDerWaalsContact C-CD 3.49Å; D155-P157 WeakPolarHBondContact O-CD 3.42Å; D155-R420 IonicContact OD2-CZ 3.94Å; D155-R420 IonicContact OD2-NH1 3.93Å; D155-R420 PolarHBondContact OD2-NH1 3.01Å; D155-R420 IonicContact OD2-NH2 2.78Å; D155-R420 PolarHBondContact OD2-NH2 3.17Å; D155-R420 VanDerWaalsContact OD2-NH2 3.15Å
156Q91.8Very high89.4Confident54 Ų5436.3 Ų36.325%0.25221%0.214SC..  trans-113.278.1-176.7-63.6-153-7.200112.3S154 L158 A159 F160S154-Q156 PolarHBondContact OG-N 2.83Å; Q156-L158 PolarHBondContact O-N 3.22Å; Q156-A159 HydrophobicContact CB-CB 4.28Å; Q156-A159 PolarHBondContact O-N 3.21Å; Q156-F160 VanDerWaalsContact O-CD2 3.3Å; Q156-F160 WeakPolarHBondContact O-CD2 3.37Å
157P92Very high89.5Confident5 Ų533 Ų333%0.03219%0.186CC..Hα-helixtrans-60.9-34.6179.324.2-34000112.2I24 D155 A159 F160 A161 E485 C488 F489 L492I24-P157 HydrophobicContact CG2-CB 3.96Å; D155-P157 VanDerWaalsContact C-CD 3.49Å; D155-P157 WeakPolarHBondContact O-CD 3.42Å; P157-A159 PolarHBondContact O-N 3.14Å; P157-A159 VanDerWaalsContact O-N 3.17Å; P157-F160 PolarHBondContact O-N 2.96Å; P157-A161 PolarHBondContact O-N 2.79Å; P157-E485 HydrophobicContact CG-CG 4.17Å; P157-C488 HydrophobicContact CB-CB 4.29Å; P157-F489 HydrophobicContact CB-CD2 4.39Å; P157-F489 HydrophobicContact CB-CE1 4.27Å; P157-F489 HydrophobicContact CB-CE2 3.96Å; P157-F489 HydrophobicContact CB-CZ 3.88Å; P157-F489 HydrophobicContact CG-CD2 4.41Å; P157-F489 HydrophobicContact CG-CE2 3.77Å; P157-F489 HydrophobicContact CG-CZ 4.01Å; P157-L492 HydrophobicContact CB-CD1 3.81Å
158L88.2Confident89.4Confident61 Ų6130 Ų3032%0.31917%0.167SC..Hα-helixtrans-57.6-32.6178.8-176.666.8000112.9Q156 F160 Q162 Q484 C488Q156-L158 PolarHBondContact O-N 3.22Å; L158-F160 VanDerWaalsContact C-N 3.26Å; L158-F160 PolarHBondContact O-N 3.25Å; L158-Q162 HydrophobicContact CD1-CG 3.99Å; L158-Q162 HydrophobicContact CG-CG 4.2Å; L158-Q162 WeakPolarHBondContact O-CB 3.32Å; L158-Q162 WeakPolarHBondContact O-CG 3.32Å; L158-Q162 PolarHBondContact O-N 3.25Å; L158-Q484 HydrophobicContact CD1-CG 4.46Å; L158-C488 VanDerWaalsContact CD1-SG 3.53Å
159A87.7Confident89.1Confident9 Ų935.7 Ų35.77%0.07419%0.189CC..Hα-helixtrans-65.3-33.1-179.900000112.3H126 Q156 P157H126-A159 HydrophobicContact CB-CB 3.76Å; Q156-A159 HydrophobicContact CB-CB 4.28Å; Q156-A159 PolarHBondContact O-N 3.21Å; P157-A159 PolarHBondContact O-N 3.14Å; P157-A159 VanDerWaalsContact O-N 3.17Å
160F90.7Very high88.8Confident0 Ų033.7 Ų33.70%018%0.179CC..Hα-helixtrans-87.2-35.2-179.9-56.8-82.9000112.3L22 I24 H126 F129 S154 Q156 P157 L158 Q162 K166 L167 A170 L492L22-F160 HydrophobicContact CD1-CZ 4.34Å; L22-F160 HydrophobicContact CD2-CD1 4.42Å; L22-F160 HydrophobicContact CD2-CE1 3.9Å; L22-F160 HydrophobicContact CD2-CZ 4.3Å; I24-F160 HydrophobicContact CD1-CB 4.33Å; I24-F160 HydrophobicContact CD1-CD1 4.21Å; I24-F160 HydrophobicContact CD1-CD2 3.63Å; I24-F160 HydrophobicContact CD1-CE1 4.46Å; I24-F160 HydrophobicContact CD1-CE2 3.9Å; I24-F160 HydrophobicContact CD1-CG 3.8Å; I24-F160 HydrophobicContact CD1-CZ 4.32Å; I24-F160 HydrophobicContact CG1-CD2 4.04Å; I24-F160 HydrophobicContact CG1-CE2 3.87Å; I24-F160 HydrophobicContact CG1-CZ 4.36Å; I24-F160 HydrophobicContact CG2-CD2 4.47Å; H126-F160 HydrophobicContact CB-CE2 4.06Å; H126-F160 HydrophobicContact CB-CZ 3.94Å; F129-F160 AromaticContact CE2-CD1 3.61Å; F129-F160 HydrophobicContact CE2-CD1 3.61Å; F129-F160 AromaticContact CE2-CE1 3.72Å; F129-F160 HydrophobicContact CE2-CE1 3.72Å; F129-F160 HydrophobicContact CE2-CG 4.29Å; F129-F160 AromaticContact CZ-CD1 3.64Å; F129-F160 HydrophobicContact CZ-CD1 3.64Å; F129-F160 AromaticContact CZ-CE1 3.99Å; F129-F160 HydrophobicContact CZ-CE1 3.99Å; S154-F160 WeakPolarHBondContact OG-CE2 3.44Å; Q156-F160 VanDerWaalsContact O-CD2 3.3Å; Q156-F160 WeakPolarHBondContact O-CD2 3.37Å; P157-F160 PolarHBondContact O-N 2.96Å; L158-F160 VanDerWaalsContact C-N 3.26Å; L158-F160 PolarHBondContact O-N 3.25Å; F160-Q162 VanDerWaalsContact C-N 3.31Å; F160-Q162 PolarHBondContact O-N 3.23Å; F160-K166 VanDerWaalsContact O-CB 3.29Å; F160-K166 WeakPolarHBondContact O-CB 3.47Å; F160-L167 HydrophobicContact CB-CD1 4.16Å; F160-L167 HydrophobicContact CD1-CD1 4.29Å; F160-L167 HydrophobicContact CG-CD1 4.41Å; F160-A170 HydrophobicContact CD1-CB 3.83Å; F160-A170 HydrophobicContact CE1-CB 3.74Å; F160-L492 HydrophobicContact CB-CD2 3.7Å
161A87Confident88.6Confident4 Ų433.8 Ų33.83%0.03318%0.179CC..Hα-helixtrans-74.8-17.2179.900000113.9P157 G163 C488 Q491 L492P157-A161 PolarHBondContact O-N 2.79Å; A161-G163 PolarHBondContact O-N 3.28Å; A161-C488 HydrophobicContact CB-CB 3.98Å; A161-Q491 PolarHBondContact O-NE2 3Å; A161-Q491 PolarHBondContact O-OE1 3.08Å; A161-L492 HydrophobicContact CB-CD2 4.3Å; A161-L492 HydrophobicContact CB-CG 4.2Å
162Q79.5Confident88.2Confident75 Ų7537.1 Ų37.135%0.3520%0.2SC..SBendtrans-74.386.2-177-84.7178.5-3.500113L158 F160 K166L158-Q162 HydrophobicContact CD1-CG 3.99Å; L158-Q162 HydrophobicContact CG-CG 4.2Å; L158-Q162 WeakPolarHBondContact O-CB 3.32Å; L158-Q162 WeakPolarHBondContact O-CG 3.32Å; L158-Q162 PolarHBondContact O-N 3.25Å; F160-Q162 VanDerWaalsContact C-N 3.31Å; F160-Q162 PolarHBondContact O-N 3.23Å; Q162-K166 WeakPolarHBondContact O-CD 3.12Å; Q162-K166 WeakPolarHBondContact O-CE 3.4Å; Q162-K166 PolarHBondContact O-NZ 3.13Å
163G72.2Confident87.7Confident41 Ų4138.9 Ų38.942%0.42321%0.209SC..SBendtrans101.8159.9173.800000113.1A161A161-G163 PolarHBondContact O-N 3.28Å
164I75.9Confident87.4Confident174 Ų17438.9 Ų38.989%0.89221%0.209SC*.THydrogen-bonded Turntrans-71131.3-167-56168.9000111K166I164-K166 VanDerWaalsContact C-N 3.29Å; I164-K166 PolarHBondContact O-N 3.29Å
165G81.5Confident87.1Confident29 Ų2940.5 Ų40.530%0.29922%0.216SC..THydrogen-bonded Turntrans7511.4169.900000115L167 Q168 R169G165-L167 VanDerWaalsContact C-N 3.33Å; G165-L167 PolarHBondContact O-N 3.29Å; G165-Q168 PolarHBondContact O-N 2.86Å; G165-R169 PolarHBondContact O-N 2.96Å
166K87Confident87Confident50 Ų5040.4 Ų40.422%0.21722%0.216CC..Hα-helixtrans-67.3-34.5178.8-86.6-159.1-176.8163.70113.2F129 F160 Q162 I164 R169 A170F129-K166 HydrophobicContact CE1-CB 4.4Å; F129-K166 HydrophobicContact CE1-CD 4.46Å; F129-K166 HydrophobicContact CZ-CB 4.27Å; F129-K166 HydrophobicContact CZ-CD 4.44Å; F160-K166 VanDerWaalsContact O-CB 3.29Å; F160-K166 WeakPolarHBondContact O-CB 3.47Å; Q162-K166 WeakPolarHBondContact O-CD 3.12Å; Q162-K166 WeakPolarHBondContact O-CE 3.4Å; Q162-K166 PolarHBondContact O-NZ 3.13Å; I164-K166 VanDerWaalsContact C-N 3.29Å; I164-K166 PolarHBondContact O-N 3.29Å; K166-R169 PolarHBondContact O-N 3.07Å; K166-A170 WeakPolarHBondContact O-CB 3.32Å; K166-A170 PolarHBondContact O-N 3.06Å
167L90.8Very high86.9Confident0 Ų040.4 Ų40.40%022%0.217CC..Hα-helixtrans-63.4-45.2176.7-171.664.9000110.9L22 I24 F160 G165 A170 A171 V179 F181 L492 E495 L499L22-L167 HydrophobicContact CD2-CD1 4.49Å; I24-L167 HydrophobicContact CD1-CD1 3.71Å; F160-L167 HydrophobicContact CB-CD1 4.16Å; F160-L167 HydrophobicContact CD1-CD1 4.29Å; F160-L167 HydrophobicContact CG-CD1 4.41Å; G165-L167 VanDerWaalsContact C-N 3.33Å; G165-L167 PolarHBondContact O-N 3.29Å; L167-A170 PolarHBondContact O-N 3.29Å; L167-A171 PolarHBondContact O-N 2.92Å; L167-V179 HydrophobicContact CD1-CG1 4Å; L167-V179 HydrophobicContact CD2-CG1 4.41Å; L167-V179 HydrophobicContact CG-CG1 4.5Å; L167-F181 HydrophobicContact CD1-CZ 4.44Å; L167-F181 HydrophobicContact CD2-CZ 3.72Å; L167-L492 HydrophobicContact CB-CD2 4.44Å; L167-L492 HydrophobicContact CD1-CD2 4.07Å; L167-L492 HydrophobicContact CD2-CD2 4.12Å; L167-L492 HydrophobicContact CG-CD2 4.44Å; L167-E495 HydrophobicContact CD2-CB 4.18Å; L167-L499 HydrophobicContact CB-CD1 4.33Å; L167-L499 HydrophobicContact CD2-CD1 3.38Å; L167-L499 HydrophobicContact CG-CD1 3.66Å
168Q87.8Confident86.9Confident81 Ų8144.5 Ų44.538%0.37924%0.235SC..Hα-helixtrans-60.1-46.8173.3-171.6179.71000111.3G165 A170 A171 T172 L499 V500G165-Q168 PolarHBondContact O-N 2.86Å; Q168-A170 VanDerWaalsContact C-N 3.31Å; Q168-A170 PolarHBondContact O-N 3.35Å; Q168-A171 PolarHBondContact O-N 3.29Å; Q168-T172 PolarHBondContact O-N 2.67Å; Q168-T172 PolarHBondContact O-OG1 3.42Å; Q168-L499 HydrophobicContact CB-CD2 4.13Å; Q168-L499 HydrophobicContact CB-CG 4.36Å; Q168-L499 HydrophobicContact CG-CD2 4.17Å; Q168-V500 PolarHBondContact NE2-O 3.17Å; Q168-V500 VanDerWaalsContact NE2-O 3.1Å
169R86.5Confident87.1Confident121 Ų12141.9 Ų41.946%0.45722%0.222SC..Hα-helixtrans-57.2-43.5175.6-175.8177.4175.3177.80.2111.9G165 K166 T172 L173 D532G165-R169 PolarHBondContact O-N 2.96Å; K166-R169 PolarHBondContact O-N 3.07Å; R169-T172 PolarHBondContact O-N 3.16Å; R169-L173 HydrophobicContact CG-CD1 3.84Å; R169-L173 HydrophobicContact CG-CG 4.27Å; R169-L173 WeakPolarHBondContact O-CB 3.24Å; R169-L173 WeakPolarHBondContact O-CG 3.43Å; R169-L173 PolarHBondContact O-N 2.99Å; R169-D532 IonicContact NH2-OD1 3.54Å; R169-D532 IonicContact NH2-OD2 2.77Å; R169-D532 PolarHBondContact NH2-OD2 3.18Å; R169-D532 VanDerWaalsContact NH2-OD2 3.16Å
170A90.2Very high87.4Confident0 Ų044.6 Ų44.60%023%0.23CC..Hα-helixtrans-63.2-45.4176.900000111.9L22 F129 F160 K166 L167 Q168 T172 L173 L174L22-A170 HydrophobicContact CD2-CB 4.35Å; F129-A170 HydrophobicContact CE1-CB 3.98Å; F129-A170 HydrophobicContact CZ-CB 3.69Å; F160-A170 HydrophobicContact CD1-CB 3.83Å; F160-A170 HydrophobicContact CE1-CB 3.74Å; K166-A170 WeakPolarHBondContact O-CB 3.32Å; K166-A170 PolarHBondContact O-N 3.06Å; L167-A170 PolarHBondContact O-N 3.29Å; Q168-A170 VanDerWaalsContact C-N 3.31Å; Q168-A170 PolarHBondContact O-N 3.35Å; A170-T172 VanDerWaalsContact C-N 3.31Å; A170-T172 PolarHBondContact O-N 2.9Å; A170-L173 PolarHBondContact O-N 3.02Å; A170-L174 WeakPolarHBondContact O-CB 3.42Å; A170-L174 VanDerWaalsContact O-CG 3.3Å; A170-L174 WeakPolarHBondContact O-CG 3.33Å; A170-L174 PolarHBondContact O-N 2.67Å
171A90.6Very high87.6Confident1 Ų145.4 Ų45.41%0.00823%0.233CC..Hα-helixtrans-59.1-43.5177.800000111.6L167 Q168 Q175 V176 V179 L499 I501L167-A171 PolarHBondContact O-N 2.92Å; Q168-A171 PolarHBondContact O-N 3.29Å; A171-Q175 WeakPolarHBondContact O-CA 3.21Å; A171-Q175 PolarHBondContact O-N 2.67Å; A171-V176 HydrophobicContact CB-CG2 4Å; A171-V176 PolarHBondContact O-N 3.39Å; A171-V179 HydrophobicContact CB-CG2 4.28Å; A171-L499 HydrophobicContact CB-CD2 4.42Å; A171-I501 HydrophobicContact CB-CD1 4.38Å
172T88.1Confident88Confident71 Ų7145.4 Ų45.444%0.43623%0.233SC..Hα-helixtrans-65.4-45.3176.2-52.40000112.5Q168 R169 A170 Q175Q168-T172 PolarHBondContact O-N 2.67Å; Q168-T172 PolarHBondContact O-OG1 3.42Å; R169-T172 PolarHBondContact O-N 3.16Å; A170-T172 VanDerWaalsContact C-N 3.31Å; A170-T172 PolarHBondContact O-N 2.9Å; T172-Q175 PolarHBondContact O-N 3.47Å
173L87.3Confident88.6Confident36 Ų3641.8 Ų41.819%0.18822%0.216CC..Hα-helixtrans-67-38.6-179.1-72.4173.2000112.5V128 A135 R169 A170V128-L173 HydrophobicContact CG2-CB 3.71Å; V128-L173 HydrophobicContact CG2-CD1 4.15Å; A135-L173 WeakPolarHBondContact CA-O 2.86Å; A135-L173 HydrophobicContact CB-CB 3.93Å; A135-L173 HydrophobicContact CB-CD2 3.68Å; A135-L173 HydrophobicContact CB-CG 4.36Å; A135-L173 WeakPolarHBondContact CB-O 3.47Å; R169-L173 HydrophobicContact CG-CD1 3.84Å; R169-L173 HydrophobicContact CG-CG 4.27Å; R169-L173 WeakPolarHBondContact O-CB 3.24Å; R169-L173 WeakPolarHBondContact O-CG 3.43Å; R169-L173 PolarHBondContact O-N 2.99Å; A170-L173 PolarHBondContact O-N 3.02Å
174L90.9Very high89.5Confident1 Ų142.4 Ų42.41%0.00521%0.205CC..Hα-helixtrans-80.4-10.4176.4-63.9168.2000112.3L22 I122 A125 V128 L138 V150 A152 A170 V176L22-L174 HydrophobicContact CD1-CD1 4.06Å; L22-L174 HydrophobicContact CD2-CD1 4.17Å; I122-L174 HydrophobicContact CD1-CD2 3.63Å; A125-L174 HydrophobicContact CB-CD1 4.07Å; V128-L174 HydrophobicContact CB-CD2 4.08Å; V128-L174 HydrophobicContact CB-CG 4.47Å; V128-L174 HydrophobicContact CG1-CD2 4.44Å; V128-L174 HydrophobicContact CG1-CG 4.34Å; V128-L174 HydrophobicContact CG2-CD2 3.99Å; V128-L174 HydrophobicContact CG2-CG 4.31Å; L138-L174 HydrophobicContact CD1-CD2 4.2Å; V150-L174 WeakPolarHBondContact CG1-O 3.47Å; A152-L174 HydrophobicContact CB-CD1 3.96Å; A170-L174 WeakPolarHBondContact O-CB 3.42Å; A170-L174 VanDerWaalsContact O-CG 3.3Å; A170-L174 WeakPolarHBondContact O-CG 3.33Å; A170-L174 PolarHBondContact O-N 2.67Å; L174-V176 VanDerWaalsContact C-N 3.31Å; L174-V176 HydrophobicContact CB-CG1 4.04Å; L174-V176 HydrophobicContact CB-CG2 4.31Å; L174-V176 PolarHBondContact O-N 2.95Å
175Q88.9Confident90.2Very high34 Ų3438.2 Ų38.216%0.15918%0.181CC..THydrogen-bonded Turntrans53.246.6-175.5-52.3-170.5-55.100112.5L138 G139 R142 A171 T172L138-Q175 PolarHBondContact O-OE1 2.78Å; G139-Q175 VanDerWaalsContact CA-OE1 3.31Å; R142-Q175 VanDerWaalsContact CG-OE1 3.26Å; R142-Q175 PolarHBondContact NH1-O 3.44Å; A171-Q175 WeakPolarHBondContact O-CA 3.21Å; A171-Q175 PolarHBondContact O-N 2.67Å; T172-Q175 PolarHBondContact O-N 3.47Å
176V91.8Very high90.6Very high1 Ų139.8 Ų39.81%0.00618%0.18CC..  trans-100.5148.7176.9-65.40000110.9F21 L22 V150 A171 L174F21-V176 WeakPolarHBondContact O-CG1 3.26Å; L22-V176 HydrophobicContact CB-CG2 3.93Å; V150-V176 HydrophobicContact CB-CG1 4.38Å; V150-V176 HydrophobicContact CG1-CG1 4.12Å; A171-V176 HydrophobicContact CB-CG2 4Å; A171-V176 PolarHBondContact O-N 3.39Å; L174-V176 VanDerWaalsContact C-N 3.31Å; L174-V176 HydrophobicContact CB-CG1 4.04Å; L174-V176 HydrophobicContact CB-CG2 4.31Å; L174-V176 PolarHBondContact O-N 2.95Å
177D89.4Confident90.8Very high54 Ų5442.7 Ų42.729%0.28920%0.197SC..SBendtrans-94.7-21.8-174.9-56.6-38.5000112.2N20 I501N20-D177 HydrophobicContact CB-CB 4.37Å; N20-D177 PolarHBondContact ND2-OD2 2.86Å; N20-D177 PolarHBondContact O-N 3.12Å; D177-I501 WeakPolarHBondContact O-CD1 3.48Å
178K92Very high90.7Very high92 Ų9245 Ų4540%0.421%0.208SC..EExtended strand (participates in β ladder)trans-136.4146.6-179-72.2-179172.5-1720111.4E19 N20 F21 L22E19-K178 VanDerWaalsContact CD-CD 3.45Å; E19-K178 WeakPolarHBondContact OE1-CD 3.48Å; E19-K178 WeakPolarHBondContact OE1-CE 3.18Å; E19-K178 IonicContact OE1-NZ 3.65Å; E19-K178 PolarHBondContact OE1-NZ 3.29Å; E19-K178 WeakPolarHBondContact OE2-CD 3.41Å; E19-K178 IonicContact OE2-NZ 3.94Å; N20-K178 PolarHBondContact O-N 3.11Å; N20-K178 VanDerWaalsContact O-N 3.12Å; F21-K178 CarbonylContact C-O 3.56Å; F21-K178 VanDerWaalsContact CA-O 3.23Å; F21-K178 WeakPolarHBondContact CA-O 3.48Å; L22-K178 PolarHBondContact N-O 3.31Å
179V93.9Very high90.7Very high6 Ų641.1 Ų41.14%0.03619%0.19CC..EExtended strand (participates in β ladder)trans-112.5134.8169-178.80000106.9L22 I24 L167 A171 F181 L499L22-V179 CarbonylContact O-C 3.5Å; L22-V179 WeakPolarHBondContact O-CA 3.49Å; I24-V179 HydrophobicContact CD1-CG1 4.28Å; L167-V179 HydrophobicContact CD1-CG1 4Å; L167-V179 HydrophobicContact CD2-CG1 4.41Å; L167-V179 HydrophobicContact CG-CG1 4.5Å; A171-V179 HydrophobicContact CB-CG2 4.28Å; V179-F181 HydrophobicContact CG1-CE1 3.78Å; V179-F181 HydrophobicContact CG1-CE2 4.08Å; V179-F181 HydrophobicContact CG1-CZ 3.51Å; V179-L499 HydrophobicContact CG2-CD1 4.33Å
180R93.7Very high90.9Very high65 Ų6538 Ų3825%0.24518%0.182CC..EExtended strand (participates in β ladder)trans-125.6141.9178.5-59.4-63.9-168.813510.6109.1E15 T16 E19 L22 L23 I24E15-R180 IonicContact OE2-CZ 3.56Å; E15-R180 IonicContact OE2-NH1 2.61Å; E15-R180 PolarHBondContact OE2-NH1 3.04Å; E15-R180 IonicContact OE2-NH2 3.31Å; T16-R180 HydrophobicContact CG2-CG 4.42Å; E19-R180 IonicContact OE1-NH2 3.2Å; E19-R180 PolarHBondContact OE1-NH2 3.02Å; E19-R180 IonicContact OE2-CZ 3.21Å; E19-R180 IonicContact OE2-NE 3.73Å; E19-R180 IonicContact OE2-NH2 3.9Å; E19-R180 PolarHBondContact OE2-NH2 2.84Å; L22-R180 PolarHBondContact O-N 3.14Å; L23-R180 WeakPolarHBondContact CA-O 3.47Å; L23-R180 HydrophobicContact CD1-CB 3.84Å; I24-R180 PolarHBondContact N-O 3.01Å
181F94.6Very high90.8Very high18 Ų1844.5 Ų44.58%0.07921%0.21CC..EExtended strand (participates in β ladder)trans-118136.2179.2-57.9-68.8000110.9I24 L167 V179 P183 F489 L492 F493 E496I24-F181 HydrophobicContact CB-CD1 3.86Å; I24-F181 HydrophobicContact CB-CE1 4.16Å; I24-F181 HydrophobicContact CD1-CD1 4.3Å; I24-F181 HydrophobicContact CD1-CE1 3.7Å; I24-F181 HydrophobicContact CG1-CE1 4.46Å; I24-F181 HydrophobicContact CG2-CD1 4.3Å; I24-F181 WeakPolarHBondContact O-CA 3.48Å; L167-F181 HydrophobicContact CD1-CZ 4.44Å; L167-F181 HydrophobicContact CD2-CZ 3.72Å; V179-F181 HydrophobicContact CG1-CE1 3.78Å; V179-F181 HydrophobicContact CG1-CE2 4.08Å; V179-F181 HydrophobicContact CG1-CZ 3.51Å; F181-P183 VanDerWaalsContact C-CD 3.48Å; F181-F489 HydrophobicContact CB-CD1 4.3Å; F181-F489 HydrophobicContact CB-CE1 4.22Å; F181-F489 HydrophobicContact CD1-CD1 4.25Å; F181-F489 HydrophobicContact CD1-CE1 4.14Å; F181-L492 HydrophobicContact CD1-CB 4.35Å; F181-L492 HydrophobicContact CD1-CD1 4.4Å; F181-L492 HydrophobicContact CE1-CB 3.68Å; F181-L492 HydrophobicContact CE1-CD1 3.96Å; F181-L492 HydrophobicContact CE1-CD2 4.41Å; F181-L492 HydrophobicContact CE1-CG 4.23Å; F181-L492 HydrophobicContact CE2-CB 4.45Å; F181-L492 HydrophobicContact CZ-CB 3.73Å; F181-F493 HydrophobicContact CB-CE1 3.77Å; F181-F493 HydrophobicContact CB-CZ 3.8Å; F181-F493 AromaticContact CD2-CD1 3.67Å; F181-F493 HydrophobicContact CD2-CD1 3.67Å; F181-F493 AromaticContact CD2-CE1 3.52Å; F181-F493 HydrophobicContact CD2-CE1 3.52Å; F181-F493 HydrophobicContact CD2-CZ 4.3Å; F181-F493 HydrophobicContact CE2-CD1 4.22Å; F181-F493 HydrophobicContact CE2-CE1 4.48Å; F181-F493 HydrophobicContact CG-CD1 4.44Å; F181-F493 AromaticContact CG-CE1 3.98Å; F181-F493 HydrophobicContact CG-CE1 3.98Å; F181-F493 HydrophobicContact CG-CZ 4.33Å; F181-E496 WeakPolarHBondContact CD2-OE2 3.48Å; F181-E496 HydrophobicContact CE2-CB 3.84Å; F181-E496 HydrophobicContact CE2-CG 3.99Å; F181-E496 WeakPolarHBondContact CE2-OE2 2.94Å; F181-E496 HydrophobicContact CZ-CB 4.46Å
182L94.4Very high90.5Very high3 Ų344.9 Ų44.92%0.01621%0.214CC..EExtended strand (participates in β ladder)trans-12872.7172.6-168.969.5000110.3Y8 V12 L23 I24 T25 G26 V29 L34 H186 A189Y8-L182 HydrophobicContact CD2-CD2 4.23Å; Y8-L182 HydrophobicContact CE2-CD2 4Å; V12-L182 HydrophobicContact CG2-CD1 4.41Å; V12-L182 HydrophobicContact CG2-CD2 4.5Å; L23-L182 HydrophobicContact CD1-CB 4.29Å; I24-L182 PolarHBondContact O-N 2.91Å; T25-L182 CarbonylContact C-O 3.57Å; T25-L182 WeakPolarHBondContact CA-O 3.37Å; T25-L182 HydrophobicContact CG2-CB 4.26Å; T25-L182 HydrophobicContact CG2-CD2 4.44Å; G26-L182 PolarHBondContact N-O 3.11Å; V29-L182 HydrophobicContact CG1-CD2 4.09Å; V29-L182 HydrophobicContact CG1-CG 4.17Å; L34-L182 HydrophobicContact CD1-CD2 3.68Å; L182-H186 HydrophobicContact CD1-CB 4.26Å; L182-A189 HydrophobicContact CD1-CB 4.47Å
183P93.7Very high90.4Very high0 Ų041.7 Ų41.70%019%0.194CC..  trans-69.9160.7171.429.5-34.6000111.5F181 F185 H186 F489 F493F181-P183 VanDerWaalsContact C-CD 3.48Å; P183-F185 HydrophobicContact CB-CD1 3.82Å; P183-F185 HydrophobicContact CB-CD2 4.34Å; P183-F185 HydrophobicContact CB-CE1 3.53Å; P183-F185 HydrophobicContact CB-CE2 4.08Å; P183-F185 HydrophobicContact CB-CG 4.22Å; P183-F185 HydrophobicContact CB-CZ 3.67Å; P183-F185 HydrophobicContact CG-CD1 4.46Å; P183-F185 HydrophobicContact CG-CD2 4.1Å; P183-F185 HydrophobicContact CG-CE1 4.18Å; P183-F185 HydrophobicContact CG-CE2 3.79Å; P183-F185 HydrophobicContact CG-CG 4.43Å; P183-F185 HydrophobicContact CG-CZ 3.83Å; P183-F185 PolarHBondContact O-N 2.98Å; P183-H186 HydrophobicContact CG-CB 4.06Å; P183-H186 WeakPolarHBondContact O-CB 3.24Å; P183-H186 PolarHBondContact O-N 2.87Å; P183-F489 HydrophobicContact CB-CB 4.42Å; P183-F489 HydrophobicContact CB-CD1 3.99Å; P183-F489 HydrophobicContact CB-CD2 3.78Å; P183-F489 HydrophobicContact CB-CE1 4.16Å; P183-F489 HydrophobicContact CB-CE2 3.95Å; P183-F489 HydrophobicContact CB-CG 3.81Å; P183-F489 HydrophobicContact CB-CZ 4.15Å; P183-F489 HydrophobicContact CG-CD1 4.37Å; P183-F489 HydrophobicContact CG-CG 4.5Å; P183-F493 HydrophobicContact CG-CE2 4.19Å; P183-F493 HydrophobicContact CG-CZ 4.05Å
184R90.5Very high90Very high53 Ų5346.9 Ų46.920%0.222%0.217CC..THydrogen-bonded Turntrans-59.8-29.9175.7-177.962.617793.5-5.7113.1V29 H186 L193 E449V29-R184 HydrophobicContact CG2-CB 4.08Å; R184-H186 VanDerWaalsContact C-N 3.28Å; R184-L193 VanDerWaalsContact NH1-CD1 3.35Å; R184-L193 VanDerWaalsContact NH2-CB 3.3Å; R184-E449 IonicContact CZ-OE2 3.69Å; R184-E449 IonicContact NE-OE2 2.59Å; R184-E449 PolarHBondContact NE-OE2 3.47Å; R184-E449 VanDerWaalsContact NE-OE2 3.15Å; R184-E449 IonicContact NH2-OE1 3.33Å; R184-E449 IonicContact NH2-OE2 3.96Å; R184-E449 PolarHBondContact NH2-OE2 2.95Å
185F90.4Very high89.3Confident87 Ų8754 Ų5438%0.38225%0.251SS..THydrogen-bonded Turntrans-87.28.8177.761.8-97000113.5P183 I190 R486 F489 F493P183-F185 HydrophobicContact CB-CD1 3.82Å; P183-F185 HydrophobicContact CB-CD2 4.34Å; P183-F185 HydrophobicContact CB-CE1 3.53Å; P183-F185 HydrophobicContact CB-CE2 4.08Å; P183-F185 HydrophobicContact CB-CG 4.22Å; P183-F185 HydrophobicContact CB-CZ 3.67Å; P183-F185 HydrophobicContact CG-CD1 4.46Å; P183-F185 HydrophobicContact CG-CD2 4.1Å; P183-F185 HydrophobicContact CG-CE1 4.18Å; P183-F185 HydrophobicContact CG-CE2 3.79Å; P183-F185 HydrophobicContact CG-CG 4.43Å; P183-F185 HydrophobicContact CG-CZ 3.83Å; P183-F185 PolarHBondContact O-N 2.98Å; F185-I190 HydrophobicContact CB-CD1 4.43Å; F185-I190 VanDerWaalsContact O-CD1 3.27Å; F185-I190 WeakPolarHBondContact O-CD1 3.48Å; F185-R486 HydrophobicContact CE1-CG 4.31Å; F185-F489 HydrophobicContact CE1-CB 4.13Å; F185-F489 HydrophobicContact CZ-CB 3.78Å; F185-F489 HydrophobicContact CZ-CG 4.49Å; F185-F493 HydrophobicContact CE2-CE2 4.14Å; F185-F493 HydrophobicContact CZ-CE2 4.21Å
186H91.1Very high88.7Confident61 Ų6153.6 Ų53.628%0.28225%0.251SS..SBendtrans-64138.3170.9-169.5-106.5000109.8L182 P183 R184 E188 A189 I190L182-H186 HydrophobicContact CD1-CB 4.26Å; P183-H186 HydrophobicContact CG-CB 4.06Å; P183-H186 WeakPolarHBondContact O-CB 3.24Å; P183-H186 PolarHBondContact O-N 2.87Å; R184-H186 VanDerWaalsContact C-N 3.28Å; H186-E188 VanDerWaalsContact C-N 3.25Å; H186-E188 IonicContact CE1-OE2 3.44Å; H186-E188 PolarHBondContact ND1-N 3.21Å; H186-E188 IonicContact ND1-OE2 3.6Å; H186-E188 PolarHBondContact O-N 3.4Å; H186-A189 HydrophobicContact CB-CB 4.11Å; H186-A189 PolarHBondContact O-N 2.98Å; H186-I190 WeakPolarHBondContact O-CG1 3.47Å; H186-I190 PolarHBondContact O-N 3.44Å
187I90.4Very high87.5Confident112 Ų11254.9 Ų54.957%0.57426%0.26SS*.Hα-helixtrans-55.3-42.6-173.3-64.4169.2000111.5K191I187-K191 HydrophobicContact CG2-CD 4.15Å; I187-K191 VanDerWaalsContact O-CG 3.31Å; I187-K191 WeakPolarHBondContact O-CG 3.46Å; I187-K191 PolarHBondContact O-N 3.34Å
188E88.5Confident86.8Confident48 Ų4857.7 Ų57.722%0.22428%0.282CS..Hα-helixtrans-70.5-37.1179.6-57.4-172.8131.300112.9N11 H186 G192N11-E188 PolarHBondContact ND2-OE1 3.14Å; H186-E188 VanDerWaalsContact C-N 3.25Å; H186-E188 IonicContact CE1-OE2 3.44Å; H186-E188 PolarHBondContact ND1-N 3.21Å; H186-E188 IonicContact ND1-OE2 3.6Å; H186-E188 PolarHBondContact O-N 3.4Å; E188-G192 PolarHBondContact O-N 2.99Å
189A88.4Confident86.5Confident0 Ų055.1 Ų55.10%027%0.273CS..Hα-helixtrans-69-38.5176.700000110.9V29 L182 H186 L193V29-A189 HydrophobicContact CG1-CB 4.48Å; L182-A189 HydrophobicContact CD1-CB 4.47Å; H186-A189 HydrophobicContact CB-CB 4.11Å; H186-A189 PolarHBondContact O-N 2.98Å; A189-L193 VanDerWaalsContact O-CB 3.24Å; A189-L193 WeakPolarHBondContact O-CB 3.41Å; A189-L193 WeakPolarHBondContact O-CD1 3.04Å; A189-L193 WeakPolarHBondContact O-CG 3.32Å; A189-L193 PolarHBondContact O-N 2.76Å
190I90.2Very high86.4Confident56 Ų5658 Ų5829%0.28729%0.287SS..Hα-helixtrans-59.8-57.7173-68.2169.9000109.5F185 H186 G192 L193 E194F185-I190 HydrophobicContact CB-CD1 4.43Å; F185-I190 VanDerWaalsContact O-CD1 3.27Å; F185-I190 WeakPolarHBondContact O-CD1 3.48Å; H186-I190 WeakPolarHBondContact O-CG1 3.47Å; H186-I190 PolarHBondContact O-N 3.44Å; I190-G192 PolarHBondContact O-N 2.84Å; I190-L193 CarbonylContact O-C 3.55Å; I190-L193 PolarHBondContact O-N 3.17Å; I190-E194 VanDerWaalsContact CG2-CD 3.49Å; I190-E194 HydrophobicContact CG2-CG 3.85Å; I190-E194 WeakPolarHBondContact CG2-OE1 3.32Å; I190-E194 WeakPolarHBondContact O-CB 3.44Å; I190-E194 VanDerWaalsContact O-CG 3.31Å; I190-E194 WeakPolarHBondContact O-CG 3.43Å; I190-E194 PolarHBondContact O-N 3.17Å
191K88.1Confident86.2Confident135 Ų13561.1 Ų61.159%0.58730%0.304SS*.Hα-helixtrans-56.4-39.1-179.3-73.2174.9179.9-179.90113I187I187-K191 HydrophobicContact CG2-CD 4.15Å; I187-K191 VanDerWaalsContact O-CG 3.31Å; I187-K191 WeakPolarHBondContact O-CG 3.46Å; I187-K191 PolarHBondContact O-N 3.34Å
192G84.5Confident86Confident9 Ų962.8 Ų62.89%0.09331%0.311CS..Hα-helixtrans-68.5-36.7178.100000112.9E188 I190 L453E188-G192 PolarHBondContact O-N 2.99Å; I190-G192 PolarHBondContact O-N 2.84Å; G192-L453 WeakPolarHBondContact O-CD1 3.38Å
193L85.2Confident85.8Confident5 Ų569.4 Ų69.43%0.02634%0.342CS..Hα-helixtrans-98-15.2-173-62.1170.6000114L6 R184 A189 I190 Q195 C196 V450 L453L6-L193 HydrophobicContact CD1-CD2 4.25Å; R184-L193 VanDerWaalsContact NH1-CD1 3.35Å; R184-L193 VanDerWaalsContact NH2-CB 3.3Å; A189-L193 VanDerWaalsContact O-CB 3.24Å; A189-L193 WeakPolarHBondContact O-CB 3.41Å; A189-L193 WeakPolarHBondContact O-CD1 3.04Å; A189-L193 WeakPolarHBondContact O-CG 3.32Å; A189-L193 PolarHBondContact O-N 2.76Å; I190-L193 CarbonylContact O-C 3.55Å; I190-L193 PolarHBondContact O-N 3.17Å; L193-Q195 PolarHBondContact O-N 3.34Å; L193-C196 VanDerWaalsContact O-CB 3.27Å; L193-C196 WeakPolarHBondContact O-CB 3.47Å; L193-C196 PolarHBondContact O-N 3.29Å; L193-C196 VanDerWaalsContact O-N 3.11Å; L193-V450 HydrophobicContact CD2-CG2 3.82Å; L193-L453 HydrophobicContact CD2-CD1 3.91Å
194E79.8Confident85.6Confident144 Ų14470 Ų7067%0.67335%0.345SS*.THydrogen-bonded Turntrans-59.5-21173-86.6175170.500113I190 C196I190-E194 VanDerWaalsContact CG2-CD 3.49Å; I190-E194 HydrophobicContact CG2-CG 3.85Å; I190-E194 WeakPolarHBondContact CG2-OE1 3.32Å; I190-E194 WeakPolarHBondContact O-CB 3.44Å; I190-E194 VanDerWaalsContact O-CG 3.31Å; I190-E194 WeakPolarHBondContact O-CG 3.43Å; I190-E194 PolarHBondContact O-N 3.17Å; E194-C196 PolarHBondContact O-N 3.28Å
195Q75.3Confident85.6Confident152 Ų15274 Ų7471%0.7137%0.366SS*.THydrogen-bonded Turntrans-77.9-6.7178.2-61.7179.43.600113.2L193 L453L193-Q195 PolarHBondContact O-N 3.34Å; Q195-L453 HydrophobicContact CB-CD2 3.89Å
196C77.1Confident85.4Confident24 Ų2470.3 Ų70.316%0.16235%0.35CS..SBendtrans-68.2142.7-177.9-171.60000110.9L193 E194 L453L193-C196 VanDerWaalsContact O-CB 3.27Å; L193-C196 WeakPolarHBondContact O-CB 3.47Å; L193-C196 PolarHBondContact O-N 3.29Å; L193-C196 VanDerWaalsContact O-N 3.11Å; E194-C196 PolarHBondContact O-N 3.28Å; C196-L453 HydrophobicContact CB-CD1 4.22Å; C196-L453 HydrophobicContact CB-CD2 4.49Å; C196-L453 HydrophobicContact CB-CG 4.36Å
197S67Low85.2Confident28 Ų2869 Ų6920%0.19635%0.347CS..PPolyproline II helixtrans-54.1144.1167.741.30000110.4V199S197-V199 PolarHBondContact O-N 2.87Å
198P74.1Confident85.2Confident114 Ų11467.7 Ų67.774%0.7435%0.353SS*.PPolyproline II helixtrans-63135.5-176.425.3-32.8000110.5
199V86.5Confident85.2Confident37 Ų3766.3 Ų66.322%0.22435%0.349CS..PPolyproline II helixtrans-74.9128.2170.8176.70000108S197 E201 L445 I464 F466S197-V199 PolarHBondContact O-N 2.87Å; V199-E201 HydrophobicContact CG1-CG 4.46Å; V199-E201 PolarHBondContact O-N 3.47Å; V199-L445 HydrophobicContact CG1-CD1 4.01Å; V199-L445 HydrophobicContact CG2-CD1 4Å; V199-I464 HydrophobicContact CG1-CB 4.43Å; V199-I464 HydrophobicContact CG1-CG2 4Å; V199-I464 HydrophobicContact CG2-CB 4.31Å; V199-I464 HydrophobicContact CG2-CD1 4.27Å; V199-I464 HydrophobicContact CG2-CG2 4.3Å; V199-F466 HydrophobicContact CG1-CB 3.73Å
200E90.2Very high85.2Confident68 Ų6866.4 Ų66.432%0.31835%0.35SS..EExtended strand (participates in β ladder)trans-86.1104.7176.8-66.1-177.8-150.800109.6F202 I464 F465 F466E200-F202 HydrophobicContact CB-CD2 4.49Å; E200-F202 HydrophobicContact CB-CE2 4.1Å; E200-I464 PolarHBondContact N-O 3.1Å; E200-F465 HydrophobicContact CB-CD1 4.12Å; E200-F465 HydrophobicContact CB-CE1 4.46Å; E200-F465 WeakPolarHBondContact OE2-CE1 3.43Å; E200-F466 PolarHBondContact O-N 3.46Å
201E90Very high85.3Confident129 Ų12968.4 Ų68.460%0.60335%0.354SS*.EExtended strand (participates in β ladder)trans-84.7119.8179.7-61.7-173.7174.200110.8V199 F466V199-E201 HydrophobicContact CG1-CG 4.46Å; V199-E201 PolarHBondContact O-N 3.47Å; E201-F466 HydrophobicContact CG-CD1 4.15Å
202F90.3Very high85.5Confident54 Ų5463.9 Ų63.924%0.23734%0.341CS..EExtended strand (participates in β ladder)trans-10499.1175.6-82.5-102.1000109.6E200 V204 I346 F465 F466 L467 M468E200-F202 HydrophobicContact CB-CD2 4.49Å; E200-F202 HydrophobicContact CB-CE2 4.1Å; F202-V204 PolarHBondContact O-N 2.85Å; F202-I346 HydrophobicContact CD1-CD1 4.12Å; F202-I346 HydrophobicContact CD1-CG1 4.22Å; F202-I346 HydrophobicContact CD2-CD1 4.03Å; F202-I346 HydrophobicContact CD2-CG1 4.36Å; F202-I346 HydrophobicContact CE1-CD1 4.32Å; F202-I346 HydrophobicContact CE1-CG1 3.91Å; F202-I346 HydrophobicContact CE2-CD1 4.26Å; F202-I346 HydrophobicContact CE2-CG1 4.09Å; F202-I346 HydrophobicContact CG-CD1 3.97Å; F202-I346 HydrophobicContact CG-CG1 4.43Å; F202-I346 HydrophobicContact CZ-CD1 4.38Å; F202-I346 HydrophobicContact CZ-CG1 3.83Å; F202-F465 HydrophobicContact CD2-CD1 4.23Å; F202-F465 AromaticContact CE2-CD1 3.64Å; F202-F465 HydrophobicContact CE2-CD1 3.64Å; F202-F465 HydrophobicContact CE2-CE1 4.17Å; F202-F465 HydrophobicContact CZ-CD1 4.42Å; F202-F466 PolarHBondContact N-O 2.82Å; F202-L467 HydrophobicContact CB-CG 4.21Å; F202-M468 PolarHBondContact O-N 3.22Å
203E90.1Very high85.9Confident142 Ų14263.4 Ų63.466%0.66434%0.337SS*.EExtended strand (participates in β ladder)trans-74.3106.5172.4-75-171.4-172.900110.8T470E203-T470 HydrophobicContact CB-CG2 3.5Å; E203-T470 HydrophobicContact CG-CG2 3.55Å
204V90.6Very high86.2Confident11 Ų1163.8 Ų63.87%0.06734%0.338CS..EExtended strand (participates in β ladder)trans-96.9125179.3-173.80000109.3F202 N338 K339 A342 M468 Y469 T470F202-V204 PolarHBondContact O-N 2.85Å; V204-N338 HydrophobicContact CG1-CB 3.63Å; V204-K339 HydrophobicContact CB-CG 4.39Å; V204-K339 HydrophobicContact CG1-CG 4.27Å; V204-K339 HydrophobicContact CG2-CG 4.19Å; V204-A342 HydrophobicContact CG2-CB 3.84Å; V204-M468 PolarHBondContact N-O 3.49Å; V204-Y469 HydrophobicContact CB-CD1 3.95Å; V204-Y469 HydrophobicContact CB-CE1 4.11Å; V204-Y469 HydrophobicContact CG1-CD1 3.89Å; V204-Y469 HydrophobicContact CG1-CE1 3.59Å; V204-Y469 VanDerWaalsContact O-CA 3.29Å; V204-Y469 WeakPolarHBondContact O-CA 3.4Å; V204-Y469 WeakPolarHBondContact O-CD1 3.42Å; V204-T470 PolarHBondContact O-N 2.87Å
205Q89.6Confident86.9Confident138 Ų13858.7 Ų58.765%0.64533%0.325SS*.PPolyproline II helixtrans-82.7134.6171.5-63.9-170.40.700110.2N338Q205-N338 PolarHBondContact O-ND2 3.24Å
206M86.1Confident87.8Confident9 Ų953.2 Ų53.24%0.04430%0.299CS..PPolyproline II helixtrans-69.9147.3170.5-67.3-175119.500111.3F210 R211 L288 Y469M206-F210 HydrophobicContact CB-CB 4.18Å; M206-F210 HydrophobicContact CE-CB 4.24Å; M206-F210 HydrophobicContact CE-CD1 4.38Å; M206-R211 HydrophobicContact CB-CB 4.36Å; M206-L288 HydrophobicContact CE-CD2 4.29Å; M206-L288 HydrophobicContact CE-CG 4.46Å; M206-Y469 HydrophobicContact CE-CD2 4.33Å; M206-Y469 HydrophobicContact CE-CE2 4.47Å; M206-Y469 HydrophobicContact CE-CG 4.48Å; M206-Y469 HydrophobicContact CG-CD1 3.49Å; M206-Y469 VanDerWaalsContact CG-CD1 3.49Å; M206-Y469 HydrophobicContact CG-CE1 3.9Å; M206-Y469 HydrophobicContact CG-CG 3.89Å
207T87.8Confident88.6Confident34 Ų3452.1 Ų52.121%0.20929%0.291CS..PPolyproline II helixtrans-62.7159168.473.70000110.5A209 F210 R211 E335 N338T207-A209 PolarHBondContact O-N 2.98Å; T207-F210 PolarHBondContact O-N 3.32Å; T207-F210 VanDerWaalsContact OG1-CD2 3.23Å; T207-F210 WeakPolarHBondContact OG1-CD2 3.46Å; T207-F210 PolarHBondContact OG1-N 2.96Å; T207-R211 WeakPolarHBondContact O-CB 3.44Å; T207-R211 PolarHBondContact O-N 3.15Å; T207-E335 PolarHBondContact OG1-OE2 3.22Å; T207-E335 VanDerWaalsContact OG1-OE2 3.05Å; T207-N338 WeakPolarHBondContact CG2-ND2 3.33Å; T207-N338 WeakPolarHBondContact CG2-OD1 3.37Å; T207-N338 PolarHBondContact N-ND2 2.9Å
208A89.3Confident89.7Confident85 Ų8555.6 Ų55.670%0.70230%0.3SS*.Hα-helixtrans-57.4-36178.400000112.3A212A208-A212 WeakPolarHBondContact O-CB 3.27Å; A208-A212 PolarHBondContact O-N 3.08Å
209A89.1Confident90.6Very high18 Ų1855.5 Ų55.515%0.14929%0.289CS..Hα-helixtrans-69.2-48.1177.800000112.1T207 R211 A212 V213 M332T207-A209 PolarHBondContact O-N 2.98Å; A209-R211 VanDerWaalsContact C-N 3.32Å; A209-R211 PolarHBondContact O-N 3.01Å; A209-A212 PolarHBondContact O-N 3.49Å; A209-V213 WeakPolarHBondContact O-CG2 3.35Å; A209-V213 PolarHBondContact O-N 3.39Å; A209-M332 HydrophobicContact CB-CE 4.2Å; A209-M332 HydrophobicContact CB-CG 3.8Å; A209-M332 HydrophobicContact CB-SD 3.92Å
210F88.8Confident90.9Very high3 Ų354 Ų541%0.01328%0.28CS..Hα-helixtrans-58.6-44.2175.8-86.7-107000111.5M206 T207 A212 V213 E214 L288 M332 E335 P337M206-F210 HydrophobicContact CB-CB 4.18Å; M206-F210 HydrophobicContact CE-CB 4.24Å; M206-F210 HydrophobicContact CE-CD1 4.38Å; T207-F210 PolarHBondContact O-N 3.32Å; T207-F210 VanDerWaalsContact OG1-CD2 3.23Å; T207-F210 WeakPolarHBondContact OG1-CD2 3.46Å; T207-F210 PolarHBondContact OG1-N 2.96Å; F210-A212 PolarHBondContact O-N 2.57Å; F210-V213 PolarHBondContact O-N 2.9Å; F210-E214 WeakPolarHBondContact O-CB 3.38Å; F210-E214 PolarHBondContact O-N 3.16Å; F210-L288 HydrophobicContact CD1-CD1 3.36Å; F210-L288 HydrophobicContact CD1-CG 3.8Å; F210-L288 HydrophobicContact CE1-CD1 3.66Å; F210-L288 HydrophobicContact CE1-CG 4.25Å; F210-L288 WeakPolarHBondContact CE1-O 3.45Å; F210-L288 HydrophobicContact CG-CD1 4.1Å; F210-M332 HydrophobicContact CB-CE 4.22Å; F210-M332 HydrophobicContact CD1-CE 4.12Å; F210-M332 HydrophobicContact CD2-CE 3.07Å; F210-M332 HydrophobicContact CE1-CE 4.26Å; F210-M332 HydrophobicContact CE2-CE 3.26Å; F210-M332 HydrophobicContact CG-CE 3.55Å; F210-M332 HydrophobicContact CZ-CE 3.87Å; F210-E335 HydrophobicContact CE2-CB 4.03Å; F210-P337 HydrophobicContact CZ-CG 4.49Å
211R91.3Very high91Very high98 Ų9850.9 Ų50.937%0.3727%0.265SS..Hα-helixtrans-64.2-40.3177.8-176.1171.7-75144.8-2.6112.6M206 T207 A209 E214 G215M206-R211 HydrophobicContact CB-CB 4.36Å; T207-R211 WeakPolarHBondContact O-CB 3.44Å; T207-R211 PolarHBondContact O-N 3.15Å; A209-R211 VanDerWaalsContact C-N 3.32Å; A209-R211 PolarHBondContact O-N 3.01Å; R211-E214 PolarHBondContact O-N 3.47Å; R211-G215 PolarHBondContact O-N 3.48Å
212A92.7Very high91Very high39 Ų3946.5 Ų46.532%0.32225%0.248SC..Hα-helixtrans-62.9-45.217600000111.5A208 A209 F210 G215 F216A208-A212 WeakPolarHBondContact O-CB 3.27Å; A208-A212 PolarHBondContact O-N 3.08Å; A209-A212 PolarHBondContact O-N 3.49Å; F210-A212 PolarHBondContact O-N 2.57Å; A212-G215 PolarHBondContact O-N 3.44Å; A212-F216 HydrophobicContact CB-CE2 4.2Å; A212-F216 WeakPolarHBondContact O-CD2 3.39Å; A212-F216 WeakPolarHBondContact O-CG 3.37Å; A212-F216 PolarHBondContact O-N 3.31Å
213V93.3Very high91.1Very high0 Ų045.8 Ų45.80%025%0.252CS..Hα-helixtrans-63.2-41.7177.5168.70000112A209 F210 G215 F216 L217 L288 F296 T328 M332A209-V213 WeakPolarHBondContact O-CG2 3.35Å; A209-V213 PolarHBondContact O-N 3.39Å; F210-V213 PolarHBondContact O-N 2.9Å; V213-G215 VanDerWaalsContact C-N 3.3Å; V213-G215 PolarHBondContact O-N 3.01Å; V213-F216 PolarHBondContact O-N 3.28Å; V213-L217 HydrophobicContact CG1-CD1 4.1Å; V213-L217 WeakPolarHBondContact O-CG 3.19Å; V213-L217 PolarHBondContact O-N 3.09Å; V213-L288 HydrophobicContact CG1-CD1 4.04Å; V213-L288 HydrophobicContact CG1-CD2 4.13Å; V213-F296 HydrophobicContact CG1-CE1 3.6Å; V213-F296 HydrophobicContact CG1-CE2 4.38Å; V213-F296 HydrophobicContact CG1-CZ 3.35Å; V213-T328 HydrophobicContact CG2-CG2 4.11Å; V213-M332 HydrophobicContact CB-SD 4.44Å; V213-M332 HydrophobicContact CG2-SD 3.53Å; V213-M332 VanDerWaalsContact CG2-SD 3.53Å
214E92Very high91.1Very high13 Ų1339 Ų396%0.06122%0.22CC..Hα-helixtrans-58.1-44.8174.5-166.5-173.9-147.900111.4F210 R211 F216 L217 R218 L288 M473F210-E214 WeakPolarHBondContact O-CB 3.38Å; F210-E214 PolarHBondContact O-N 3.16Å; R211-E214 PolarHBondContact O-N 3.47Å; E214-F216 PolarHBondContact O-N 3.47Å; E214-L217 PolarHBondContact O-N 3.37Å; E214-R218 WeakPolarHBondContact O-CB 3.49Å; E214-R218 PolarHBondContact O-N 3.18Å; E214-L288 HydrophobicContact CB-CD2 3.98Å; E214-L288 HydrophobicContact CG-CD2 4.47Å; E214-M473 HydrophobicContact CG-CE 3.63Å; E214-M473 HydrophobicContact CG-CG 4.17Å; E214-M473 HydrophobicContact CG-SD 4.48Å; E214-M473 WeakPolarHBondContact OE1-CB 3.44Å; E214-M473 WeakPolarHBondContact OE1-CG 3.49Å; E214-M473 PolarHBondContact OE1-N 2.95Å
215G93.6Very high91.1Very high37 Ų3738.5 Ų38.538%0.38122%0.217SC..Hα-helixtrans-57.2-46.1174.800000112.9R211 A212 V213 R218 E219R211-G215 PolarHBondContact O-N 3.48Å; A212-G215 PolarHBondContact O-N 3.44Å; V213-G215 VanDerWaalsContact C-N 3.3Å; V213-G215 PolarHBondContact O-N 3.01Å; G215-R218 PolarHBondContact O-N 3.4Å; G215-E219 PolarHBondContact O-N 3.04Å
216F94.1Very high91.1Very high37 Ų3737 Ų3716%0.16221%0.21CC..Hα-helixtrans-65.3-40.6177.2-57.9-43000112.5A212 V213 E214 R218 E219 L220 K324 L325A212-F216 HydrophobicContact CB-CE2 4.2Å; A212-F216 WeakPolarHBondContact O-CD2 3.39Å; A212-F216 WeakPolarHBondContact O-CG 3.37Å; A212-F216 PolarHBondContact O-N 3.31Å; V213-F216 PolarHBondContact O-N 3.28Å; E214-F216 PolarHBondContact O-N 3.47Å; F216-R218 VanDerWaalsContact C-N 3.33Å; F216-R218 PolarHBondContact O-N 3.17Å; F216-E219 PolarHBondContact O-N 3.34Å; F216-L220 WeakPolarHBondContact O-CG 3.35Å; F216-L220 PolarHBondContact O-N 3.31Å; F216-K324 HydrophobicContact CD1-CB 4.31Å; F216-K324 HydrophobicContact CD2-CB 4.18Å; F216-K324 HydrophobicContact CE1-CB 3.92Å; F216-K324 HydrophobicContact CE1-CD 3.76Å; F216-K324 HydrophobicContact CE1-CG 4.48Å; F216-K324 HydrophobicContact CE2-CB 3.78Å; F216-K324 HydrophobicContact CG-CB 4.45Å; F216-K324 HydrophobicContact CZ-CB 3.65Å; F216-K324 HydrophobicContact CZ-CD 3.96Å; F216-K324 HydrophobicContact CZ-CG 4.33Å; F216-L325 HydrophobicContact CB-CB 4.09Å; F216-L325 HydrophobicContact CB-CD1 4.24Å; F216-L325 HydrophobicContact CD2-CB 4.35Å
217L93.3Very high91.3Very high0 Ų039.2 Ų39.20%022%0.22CC..Hα-helixtrans-62.9-40.1175.7-75.7170.7000111.7V213 E214 L220 L221 F281 L284 I285 L288 F296 L325V213-L217 HydrophobicContact CG1-CD1 4.1Å; V213-L217 WeakPolarHBondContact O-CG 3.19Å; V213-L217 PolarHBondContact O-N 3.09Å; E214-L217 PolarHBondContact O-N 3.37Å; L217-L220 PolarHBondContact O-N 3.33Å; L217-L221 VanDerWaalsContact O-CB 3.26Å; L217-L221 WeakPolarHBondContact O-CB 3.43Å; L217-L221 PolarHBondContact O-N 2.91Å; L217-F281 HydrophobicContact CD2-CD1 4.22Å; L217-L284 HydrophobicContact CD1-CB 4.29Å; L217-L284 HydrophobicContact CD2-CB 4.03Å; L217-L284 HydrophobicContact CD2-CD1 4.08Å; L217-I285 HydrophobicContact CB-CD1 4.5Å; L217-I285 HydrophobicContact CB-CG1 4.09Å; L217-I285 HydrophobicContact CD1-CG1 3.92Å; L217-I285 HydrophobicContact CG-CG1 4.49Å; L217-L288 HydrophobicContact CD1-CD2 4.33Å; L217-F296 HydrophobicContact CD1-CE2 4.41Å; L217-F296 HydrophobicContact CD1-CZ 4.4Å; L217-L325 HydrophobicContact CD2-CD1 3.49Å; L217-L325 VanDerWaalsContact CD2-CD1 3.49Å; L217-L325 HydrophobicContact CG-CD1 3.65Å
218R91.2Very high91.4Very high102 Ų10237.6 Ų37.639%0.38521%0.21SC..Hα-helixtrans-64.2-41.7176.3-172.7178.3-175.4157.210.4111.9E214 G215 F216 T222 M473 E476E214-R218 WeakPolarHBondContact O-CB 3.49Å; E214-R218 PolarHBondContact O-N 3.18Å; G215-R218 PolarHBondContact O-N 3.4Å; F216-R218 VanDerWaalsContact C-N 3.33Å; F216-R218 PolarHBondContact O-N 3.17Å; R218-T222 WeakPolarHBondContact O-CB 3.12Å; R218-T222 PolarHBondContact O-N 3.31Å; R218-T222 PolarHBondContact O-OG1 3.12Å; R218-M473 HydrophobicContact CB-SD 3.94Å; R218-M473 HydrophobicContact CG-SD 4.12Å; R218-E476 IonicContact CZ-OE1 3.37Å; R218-E476 IonicContact CZ-OE2 3.47Å; R218-E476 IonicContact NH1-OE1 2.77Å; R218-E476 PolarHBondContact NH1-OE1 3.48Å; R218-E476 IonicContact NH1-OE2 3.5Å; R218-E476 IonicContact NH2-OE1 3.08Å; R218-E476 PolarHBondContact NH2-OE1 2.85Å; R218-E476 VanDerWaalsContact NH2-OE1 3.08Å; R218-E476 IonicContact NH2-OE2 3Å; R218-E476 PolarHBondContact NH2-OE2 3.17Å
219E93Very high91.2Very high112 Ų11238.2 Ų38.252%0.52319%0.194SC..Hα-helixtrans-61.5-50176.5-172-179.316800111.2G215 F216 L221 T222 A223 A321G215-E219 PolarHBondContact O-N 3.04Å; F216-E219 PolarHBondContact O-N 3.34Å; E219-L221 PolarHBondContact O-N 3.3Å; E219-T222 PolarHBondContact O-N 2.95Å; E219-A223 PolarHBondContact O-N 3.42Å; E219-A321 HydrophobicContact CG-CB 4.38Å
220L92.7Very high91.1Very high4 Ų443.9 Ų43.92%0.02122%0.218CC..Hα-helixtrans-61.2-44.4177.7-70172.8000112.3F216 L217 T222 A223 C224 F281 W316 T319 A321 A322 L325F216-L220 WeakPolarHBondContact O-CG 3.35Å; F216-L220 PolarHBondContact O-N 3.31Å; L217-L220 PolarHBondContact O-N 3.33Å; L220-T222 VanDerWaalsContact C-N 3.31Å; L220-T222 PolarHBondContact O-N 2.78Å; L220-A223 PolarHBondContact O-N 3.11Å; L220-C224 PolarHBondContact O-N 3.22Å; L220-F281 HydrophobicContact CB-CD2 4.47Å; L220-F281 HydrophobicContact CB-CE1 4.2Å; L220-F281 HydrophobicContact CB-CE2 3.99Å; L220-F281 HydrophobicContact CB-CZ 3.83Å; L220-F281 HydrophobicContact CD1-CE1 3.98Å; L220-F281 HydrophobicContact CD1-CZ 4.21Å; L220-F281 HydrophobicContact CG-CZ 4.47Å; L220-W316 HydrophobicContact CD1-CE3 4.35Å; L220-W316 HydrophobicContact CD2-CB 4.47Å; L220-W316 HydrophobicContact CD2-CE3 4.26Å; L220-T319 VanDerWaalsContact CD2-OG1 3.27Å; L220-T319 WeakPolarHBondContact CD2-OG1 3.45Å; L220-A321 HydrophobicContact CD2-CB 4.07Å; L220-A321 HydrophobicContact CG-CB 4.18Å; L220-A322 HydrophobicContact CD2-CB 4.36Å; L220-L325 HydrophobicContact CD1-CD1 4.1Å
221L91.4Very high90.9Very high3 Ų345.8 Ų45.82%0.01623%0.231CC..Hα-helixtrans-59.6-45.2176.4-174.171.4000110.7L217 E219 C224 V225 V243 A246 I278 F281 I285L217-L221 VanDerWaalsContact O-CB 3.26Å; L217-L221 WeakPolarHBondContact O-CB 3.43Å; L217-L221 PolarHBondContact O-N 2.91Å; E219-L221 PolarHBondContact O-N 3.3Å; L221-C224 PolarHBondContact O-N 3.1Å; L221-V225 WeakPolarHBondContact O-CB 3.16Å; L221-V225 WeakPolarHBondContact O-CG2 3.49Å; L221-V225 PolarHBondContact O-N 3.48Å; L221-V243 HydrophobicContact CD2-CG1 4.38Å; L221-A246 HydrophobicContact CD1-CB 4.19Å; L221-A246 HydrophobicContact CG-CB 4.43Å; L221-I278 HydrophobicContact CD1-CB 4.38Å; L221-I278 HydrophobicContact CD1-CG1 4.29Å; L221-I278 HydrophobicContact CD1-CG2 3.86Å; L221-F281 HydrophobicContact CD1-CB 4.29Å; L221-I285 HydrophobicContact CD2-CD1 4.37Å
222T91.5Very high90.4Very high37 Ų3741.1 Ų41.123%0.22721%0.214CC..Hα-helixtrans-63.3-44.8179.7-58.80000111.4R218 E219 L220 V225 Q226 V243R218-T222 WeakPolarHBondContact O-CB 3.12Å; R218-T222 PolarHBondContact O-N 3.31Å; R218-T222 PolarHBondContact O-OG1 3.12Å; E219-T222 PolarHBondContact O-N 2.95Å; L220-T222 VanDerWaalsContact C-N 3.31Å; L220-T222 PolarHBondContact O-N 2.78Å; T222-V225 PolarHBondContact O-N 3.42Å; T222-Q226 WeakPolarHBondContact O-CG 3.46Å; T222-Q226 PolarHBondContact O-N 3.5Å; T222-V243 HydrophobicContact CG2-CG2 4.08Å
223A91.6Very high89.5Confident39 Ų3944.5 Ų44.532%0.32223%0.23SC..Hα-helixtrans-60.1-49176.600000111.6E219 L220 V225 Q226 E227E219-A223 PolarHBondContact O-N 3.42Å; L220-A223 PolarHBondContact O-N 3.11Å; A223-V225 VanDerWaalsContact C-N 3.34Å; A223-V225 PolarHBondContact O-N 3.19Å; A223-Q226 PolarHBondContact O-N 3.42Å; A223-E227 PolarHBondContact O-N 2.6Å
224C91.2Very high88.3Confident1 Ų148.6 Ų48.61%0.00727%0.272CS..Hα-helixtrans-63.9-36.6178.5-75.60000113.1L220 L221 L228 L274 I278 F281L220-C224 PolarHBondContact O-N 3.22Å; L221-C224 PolarHBondContact O-N 3.1Å; C224-L228 VanDerWaalsContact O-CB 3.25Å; C224-L228 WeakPolarHBondContact O-CB 3.29Å; C224-L228 PolarHBondContact O-N 2.65Å; C224-L274 HydrophobicContact CB-CD2 4Å; C224-I278 HydrophobicContact CB-CD1 4.39Å; C224-I278 HydrophobicContact CB-CG1 3.92Å; C224-F281 HydrophobicContact CB-CE2 4.44Å
225V90.3Very high87.4Confident0 Ų050.9 Ų50.90%028%0.283CS..Hα-helixtrans-66-40.6175.3169.30000111L221 T222 A223 L228 R229 V241 V243 A246 I278L221-V225 WeakPolarHBondContact O-CB 3.16Å; L221-V225 WeakPolarHBondContact O-CG2 3.49Å; L221-V225 PolarHBondContact O-N 3.48Å; T222-V225 PolarHBondContact O-N 3.42Å; A223-V225 VanDerWaalsContact C-N 3.34Å; A223-V225 PolarHBondContact O-N 3.19Å; V225-L228 PolarHBondContact O-N 3.25Å; V225-R229 WeakPolarHBondContact O-CG 3.34Å; V225-R229 PolarHBondContact O-N 3.28Å; V225-V241 HydrophobicContact CG1-CG1 3.94Å; V225-V243 HydrophobicContact CB-CG2 4.39Å; V225-V243 HydrophobicContact CG1-CG2 4.13Å; V225-A246 HydrophobicContact CG2-CB 3.51Å; V225-I278 HydrophobicContact CG2-CD1 3.9Å; V225-I278 HydrophobicContact CG2-CG1 4.43Å
226Q89.9Confident86.7Confident105 Ų10549.9 Ų49.949%0.49127%0.269SS..Hα-helixtrans-66.5-44176.1-71.9178.13.700111.9T222 A223 L228 R229 Q230T222-Q226 WeakPolarHBondContact O-CG 3.46Å; T222-Q226 PolarHBondContact O-N 3.5Å; A223-Q226 PolarHBondContact O-N 3.42Å; Q226-L228 VanDerWaalsContact C-N 3.31Å; Q226-L228 PolarHBondContact O-N 2.99Å; Q226-R229 WeakPolarHBondContact O-CB 3.45Å; Q226-R229 PolarHBondContact O-N 2.69Å; Q226-Q230 WeakPolarHBondContact O-CG 3.33Å; Q226-Q230 PolarHBondContact O-N 2.85Å; Q226-Q230 VanDerWaalsContact O-N 3.1Å
227E88.9Confident85.8Confident57 Ų5750.1 Ų50.127%0.26627%0.274SS..Hα-helixtrans-62.7-39.4174.4-74.4-163.9-166.500112.2A223 R229 Q230 C231 K270 L274A223-E227 PolarHBondContact O-N 2.6Å; E227-R229 VanDerWaalsContact C-N 3.32Å; E227-R229 PolarHBondContact O-N 2.86Å; E227-Q230 PolarHBondContact O-N 3.02Å; E227-C231 WeakPolarHBondContact O-CB 3.45Å; E227-C231 PolarHBondContact O-N 3.04Å; E227-C231 PolarHBondContact O-SG 3.44Å; E227-K270 IonicContact OE2-NZ 3.93Å; E227-L274 HydrophobicContact CB-CD1 3.89Å; E227-L274 HydrophobicContact CB-CD2 4.08Å
228L89.4Confident85Confident0 Ų054 Ų540%030%0.302CS..Hα-helixtrans-61.5-45.3177.3-178.961.8000109.9C224 V225 Q226 Q230 C231 S232 V241 F251 I255 A271 L274 I275 I278C224-L228 VanDerWaalsContact O-CB 3.25Å; C224-L228 WeakPolarHBondContact O-CB 3.29Å; C224-L228 PolarHBondContact O-N 2.65Å; V225-L228 PolarHBondContact O-N 3.25Å; Q226-L228 VanDerWaalsContact C-N 3.31Å; Q226-L228 PolarHBondContact O-N 2.99Å; L228-Q230 VanDerWaalsContact C-N 3.3Å; L228-Q230 PolarHBondContact O-N 3.21Å; L228-C231 PolarHBondContact O-N 3.21Å; L228-S232 WeakPolarHBondContact O-CB 3.49Å; L228-S232 PolarHBondContact O-N 2.9Å; L228-S232 PolarHBondContact O-OG 3.37Å; L228-V241 HydrophobicContact CB-CG1 4.38Å; L228-V241 HydrophobicContact CD2-CG1 3.95Å; L228-V241 HydrophobicContact CD2-CG2 4.44Å; L228-V241 HydrophobicContact CG-CG1 4.19Å; L228-F251 HydrophobicContact CD2-CE1 4.32Å; L228-F251 HydrophobicContact CD2-CZ 3.92Å; L228-I255 HydrophobicContact CD2-CD1 4.45Å; L228-A271 HydrophobicContact CD1-CB 3.84Å; L228-L274 HydrophobicContact CB-CB 4.36Å; L228-L274 HydrophobicContact CB-CD1 4.23Å; L228-L274 HydrophobicContact CD1-CB 4.19Å; L228-I275 HydrophobicContact CD1-CD1 4.48Å; L228-I275 HydrophobicContact CD1-CG1 4.13Å; L228-I275 HydrophobicContact CD2-CG1 3.94Å; L228-I278 HydrophobicContact CD2-CD1 3.91Å
229R87.1Confident84.2Confident97 Ų9756.5 Ų56.537%0.36632%0.317SS..Hα-helixtrans-55.8-44175-74.1173172.3-175.8-5112.2V225 Q226 E227 T233 S238 V241V225-R229 WeakPolarHBondContact O-CG 3.34Å; V225-R229 PolarHBondContact O-N 3.28Å; Q226-R229 WeakPolarHBondContact O-CB 3.45Å; Q226-R229 PolarHBondContact O-N 2.69Å; E227-R229 VanDerWaalsContact C-N 3.32Å; E227-R229 PolarHBondContact O-N 2.86Å; R229-T233 WeakPolarHBondContact O-CG2 3.49Å; R229-T233 PolarHBondContact O-N 2.82Å; R229-S238 PolarHBondContact NH2-O 2.93Å; R229-V241 HydrophobicContact CG-CB 4.07Å; R229-V241 HydrophobicContact CG-CG1 3.63Å; R229-V241 PolarHBondContact NE-O 3.47Å; R229-V241 PolarHBondContact NH2-O 3.35Å
230Q86.8Confident83.3Confident138 Ų13852.3 Ų52.365%0.64530%0.299SS*.Hα-helixtrans-65.8-43.8179.5-69175.35.500111.6Q226 E227 L228 S232 T233Q226-Q230 WeakPolarHBondContact O-CG 3.33Å; Q226-Q230 PolarHBondContact O-N 2.85Å; Q226-Q230 VanDerWaalsContact O-N 3.1Å; E227-Q230 PolarHBondContact O-N 3.02Å; L228-Q230 VanDerWaalsContact C-N 3.3Å; L228-Q230 PolarHBondContact O-N 3.21Å; Q230-S232 VanDerWaalsContact C-N 3.35Å; Q230-S232 PolarHBondContact O-N 3.29Å; Q230-T233 WeakPolarHBondContact O-CG2 3.37Å; Q230-T233 PolarHBondContact O-OG1 2.74Å; Q230-T233 VanDerWaalsContact O-OG1 3.12Å
231C84Confident82.7Confident42 Ų4252.1 Ų52.128%0.28430%0.298SS..Hα-helixtrans-72.1-27.2-178.8-63.40000113.3E227 L228 A271E227-C231 WeakPolarHBondContact O-CB 3.45Å; E227-C231 PolarHBondContact O-N 3.04Å; E227-C231 PolarHBondContact O-SG 3.44Å; L228-C231 PolarHBondContact O-N 3.21Å; C231-A271 HydrophobicContact CB-CB 4.49Å
232S79.7Confident82.4Confident1 Ų153.2 Ų53.21%0.00730%0.304CS..THydrogen-bonded Turntrans-105.424.2-177.6720000113.3L228 Q230 G234 Q235 L236L228-S232 WeakPolarHBondContact O-CB 3.49Å; L228-S232 PolarHBondContact O-N 2.9Å; L228-S232 PolarHBondContact O-OG 3.37Å; Q230-S232 VanDerWaalsContact C-N 3.35Å; Q230-S232 PolarHBondContact O-N 3.29Å; S232-G234 PolarHBondContact O-N 3.36Å; S232-Q235 PolarHBondContact O-N 3.26Å; S232-L236 PolarHBondContact O-N 2.93Å
233T74.6Confident81.8Confident110 Ų11053.1 Ų53.168%0.67530%0.304SS*.THydrogen-bonded Turntrans-54.6123-179.636.80000110.9R229 Q230 Q235R229-T233 WeakPolarHBondContact O-CG2 3.49Å; R229-T233 PolarHBondContact O-N 2.82Å; Q230-T233 WeakPolarHBondContact O-CG2 3.37Å; Q230-T233 PolarHBondContact O-OG1 2.74Å; Q230-T233 VanDerWaalsContact O-OG1 3.12Å; T233-Q235 VanDerWaalsContact C-N 3.29Å; T233-Q235 PolarHBondContact O-N 2.88Å
234G69Low81Confident85 Ų8555 Ų5588%0.87631%0.308SS*.THydrogen-bonded Turntrans83.3-13.7-177.500000116S232S232-G234 PolarHBondContact O-N 3.36Å
235Q72.4Confident80.3Confident61 Ų6156.9 Ų56.929%0.28532%0.318SS..THydrogen-bonded Turntrans-96.4-37.2176.7-64.8-177.5-28.700112.9S232 T233 H258 I266 L267S232-Q235 PolarHBondContact O-N 3.26Å; T233-Q235 VanDerWaalsContact C-N 3.29Å; T233-Q235 PolarHBondContact O-N 2.88Å; Q235-H258 PolarHBondContact O-CD2 3.49Å; Q235-I266 PolarHBondContact NE2-O 2.87Å; Q235-I266 VanDerWaalsContact NE2-O 3.15Å; Q235-L267 VanDerWaalsContact OE1-CD2 3.23Å
236L77.8Confident79.8Confident16 Ų1656.9 Ų56.98%0.08432%0.318CS..SBendtrans-124.4129.3-179.5-63.7173.3000110.9S232 V241 I255 L259 L267S232-L236 PolarHBondContact O-N 2.93Å; L236-V241 HydrophobicContact CB-CG2 3.74Å; L236-V241 HydrophobicContact CD1-CG2 3.77Å; L236-V241 HydrophobicContact CG-CG2 4.32Å; L236-I255 HydrophobicContact CD1-CG2 4.44Å; L236-I255 HydrophobicContact CD2-CG2 4.26Å; L236-L259 HydrophobicContact CD2-CD1 4.43Å; L236-L259 HydrophobicContact CD2-CD2 3.86Å; L236-L259 HydrophobicContact CD2-CG 3.97Å; L236-L267 HydrophobicContact CD1-CD2 4.44Å
237P77.1Confident79.1Confident43 Ų4352.5 Ų52.528%0.27930%0.301SS..  trans-75.4153.8177.430.2-34.7000111.5E239 V240 V241 H258P237-E239 PolarHBondContact O-N 2.81Å; P237-V240 HydrophobicContact CG-CB 4.08Å; P237-V240 HydrophobicContact CG-CG2 3.67Å; P237-V240 PolarHBondContact O-N 2.92Å; P237-V241 PolarHBondContact O-N 3.23Å; P237-V241 VanDerWaalsContact O-N 3.15Å; P237-H258 VanDerWaalsContact CD-CE1 3.49Å; P237-H258 WeakPolarHBondContact CD-CE1 3.37Å; P237-H258 VanDerWaalsContact CD-NE2 3.25Å; P237-H258 WeakPolarHBondContact CD-NE2 3.47Å
238S76.2Confident78.5Confident82 Ų8251 Ų5157%0.57330%0.297SS*.THydrogen-bonded Turntrans-59.8-27.1178.151.70000113.4R229 V240 V241R229-S238 PolarHBondContact NH2-O 2.93Å; S238-V240 VanDerWaalsContact C-N 3.35Å; S238-V241 CarbonylContact O-C 3.6Å
239E74.1Confident77.9Confident154 Ų15455.8 Ų55.872%0.7232%0.315SS*.THydrogen-bonded Turntrans-65.7-35.9175.5-64.8176.9-173.300112.5P237 N242P237-E239 PolarHBondContact O-N 2.81Å; E239-N242 PolarHBondContact O-ND2 3.48Å
240V73.7Confident77.3Confident23 Ų2358.8 Ų58.814%0.13933%0.326CS..THydrogen-bonded Turntrans-83.6-43-179.3173.50000110.4P237 S238 N242 A254 I255 H258P237-V240 HydrophobicContact CG-CB 4.08Å; P237-V240 HydrophobicContact CG-CG2 3.67Å; P237-V240 PolarHBondContact O-N 2.92Å; S238-V240 VanDerWaalsContact C-N 3.35Å; V240-N242 PolarHBondContact O-N 3.41Å; V240-A254 HydrophobicContact CG1-CB 4.2Å; V240-I255 HydrophobicContact CG1-CG1 4.08Å; V240-H258 HydrophobicContact CG2-CB 4.44Å
241V81.2Confident77.1Confident1 Ų152.2 Ų52.21%0.00630%0.295CS..SBendtrans-95.186.4179.2-174.80000108.2V225 L228 R229 L236 P237 S238 F251V225-V241 HydrophobicContact CG1-CG1 3.94Å; L228-V241 HydrophobicContact CB-CG1 4.38Å; L228-V241 HydrophobicContact CD2-CG1 3.95Å; L228-V241 HydrophobicContact CD2-CG2 4.44Å; L228-V241 HydrophobicContact CG-CG1 4.19Å; R229-V241 HydrophobicContact CG-CB 4.07Å; R229-V241 HydrophobicContact CG-CG1 3.63Å; R229-V241 PolarHBondContact NE-O 3.47Å; R229-V241 PolarHBondContact NH2-O 3.35Å; L236-V241 HydrophobicContact CB-CG2 3.74Å; L236-V241 HydrophobicContact CD1-CG2 3.77Å; L236-V241 HydrophobicContact CG-CG2 4.32Å; P237-V241 PolarHBondContact O-N 3.23Å; P237-V241 VanDerWaalsContact O-N 3.15Å; S238-V241 CarbonylContact O-C 3.6Å; V241-F251 HydrophobicContact CG1-CZ 4.47Å
242N83.1Confident77.1Confident26 Ų2652.2 Ų52.214%0.13929%0.292CS..  trans-135157.6172.372.161.6000110.8E239 V240 D244 L245 A246E239-N242 PolarHBondContact O-ND2 3.48Å; V240-N242 PolarHBondContact O-N 3.41Å; N242-D244 VanDerWaalsContact C-N 3.28Å; N242-D244 PolarHBondContact O-N 3.46Å; N242-D244 PolarHBondContact OD1-N 3.48Å; N242-L245 PolarHBondContact O-N 3.42Å; N242-L245 WeakPolarHBondContact OD1-CB 3.26Å; N242-L245 PolarHBondContact OD1-N 3.17Å; N242-A246 WeakPolarHBondContact O-CB 3.2Å; N242-A246 PolarHBondContact O-N 2.96Å
243V79.2Confident77Confident35 Ų3555.5 Ų55.521%0.21232%0.316CS..Hα-helixtrans-60.1-42-172.4-179.60000110.9L221 T222 V225 L245 A246 G247L221-V243 HydrophobicContact CD2-CG1 4.38Å; T222-V243 HydrophobicContact CG2-CG2 4.08Å; V225-V243 HydrophobicContact CB-CG2 4.39Å; V225-V243 HydrophobicContact CG1-CG2 4.13Å; V243-L245 PolarHBondContact O-N 3.28Å; V243-A246 WeakPolarHBondContact O-CB 3.29Å; V243-A246 PolarHBondContact O-N 3.44Å; V243-G247 PolarHBondContact O-N 3.43Å
244D76.2Confident77.3Confident79 Ų7951.6 Ų51.642%0.42229%0.294SS..Hα-helixtrans-66.3-41.7-177.9-45.7-29.2000112N242 A246 G247 S248 K480N242-D244 VanDerWaalsContact C-N 3.28Å; N242-D244 PolarHBondContact O-N 3.46Å; N242-D244 PolarHBondContact OD1-N 3.48Å; D244-A246 VanDerWaalsContact C-N 3.33Å; D244-G247 PolarHBondContact O-N 3.19Å; D244-S248 PolarHBondContact O-N 3.38Å; D244-K480 HydrophobicContact CB-CD 3.72Å; D244-K480 IonicContact OD2-NZ 3.72Å; D244-K480 PolarHBondContact OD2-NZ 3.34Å
245L75.6Confident77.9Confident40 Ų4047.6 Ų47.621%0.20925%0.253CS..Hα-helixtrans-69.5-35.1176.1-133108.2000110.5N242 V243 G247 S248 F251 A254N242-L245 PolarHBondContact O-N 3.42Å; N242-L245 WeakPolarHBondContact OD1-CB 3.26Å; N242-L245 PolarHBondContact OD1-N 3.17Å; V243-L245 PolarHBondContact O-N 3.28Å; L245-G247 VanDerWaalsContact C-N 3.32Å; L245-G247 PolarHBondContact O-N 3.27Å; L245-S248 WeakPolarHBondContact O-CA 3.46Å; L245-S248 VanDerWaalsContact O-CB 3.3Å; L245-S248 WeakPolarHBondContact O-CB 3.11Å; L245-S248 PolarHBondContact O-N 3.03Å; L245-S248 PolarHBondContact O-OG 3.18Å; L245-F251 HydrophobicContact CB-CD2 4.33Å; L245-F251 HydrophobicContact CD2-CD2 4.4Å; L245-F251 WeakPolarHBondContact O-CB 3.37Å; L245-A254 HydrophobicContact CD2-CB 3.7Å
246A79.8Confident78.3Confident0 Ų049.9 Ų49.90%026%0.262CS..Hα-helixtrans-63.7-35.8176.700000112.5L221 V225 N242 V243 D244 S248 F251 I278L221-A246 HydrophobicContact CD1-CB 4.19Å; L221-A246 HydrophobicContact CG-CB 4.43Å; V225-A246 HydrophobicContact CG2-CB 3.51Å; N242-A246 WeakPolarHBondContact O-CB 3.2Å; N242-A246 PolarHBondContact O-N 2.96Å; V243-A246 WeakPolarHBondContact O-CB 3.29Å; V243-A246 PolarHBondContact O-N 3.44Å; D244-A246 VanDerWaalsContact C-N 3.33Å; A246-S248 PolarHBondContact O-N 3.43Å; A246-F251 VanDerWaalsContact CA-CD2 3.5Å; A246-F251 HydrophobicContact CB-CD2 4.01Å; A246-F251 HydrophobicContact CB-CE2 3.92Å; A246-F251 HydrophobicContact CB-CG 4.36Å; A246-F251 HydrophobicContact CB-CZ 4.2Å; A246-I278 HydrophobicContact CB-CG2 4.05Å
247G74.7Confident78.1Confident12 Ų1255.6 Ų55.612%0.12428%0.282CS..Hα-helixtrans-69-20.1170.800000113.7V243 D244 L245V243-G247 PolarHBondContact O-N 3.43Å; D244-G247 PolarHBondContact O-N 3.19Å; L245-G247 VanDerWaalsContact C-N 3.32Å; L245-G247 PolarHBondContact O-N 3.27Å
248S77.9Confident78Confident26 Ų2658 Ų5818%0.18229%0.289CS..SBendtrans-82.6153.4178.888.90000112.4D244 L245 A246 W250 F251 R282D244-S248 PolarHBondContact O-N 3.38Å; L245-S248 WeakPolarHBondContact O-CA 3.46Å; L245-S248 VanDerWaalsContact O-CB 3.3Å; L245-S248 WeakPolarHBondContact O-CB 3.11Å; L245-S248 PolarHBondContact O-N 3.03Å; L245-S248 PolarHBondContact O-OG 3.18Å; A246-S248 PolarHBondContact O-N 3.43Å; S248-W250 PolarHBondContact O-N 3.42Å; S248-W250 PolarHBondContact OG-N 3.23Å; S248-F251 PolarHBondContact O-N 3.13Å; S248-R282 VanDerWaalsContact O-CD 3.24Å; S248-R282 WeakPolarHBondContact O-CD 3.31Å; S248-R282 PolarHBondContact O-NH1 2.83Å
249R75.2Confident77.9Confident100 Ų10054.2 Ų54.238%0.37726%0.263SS..THydrogen-bonded Turntrans-64.5-17173.9-64.2-180-179.8-164.4-5.3113.2N368 Q418R249-N368 PolarHBondContact NH2-O 3.14Å; R249-Q418 VanDerWaalsContact NH1-CG 3.29Å
250W75.7Confident77.5Confident160 Ų16049 Ų4961%0.60625%0.25SS*.THydrogen-bonded Turntrans-85.8-8.5-173.5-53.994.3000113.8S248 D252 S253 A254S248-W250 PolarHBondContact O-N 3.42Å; S248-W250 PolarHBondContact OG-N 3.23Å; W250-D252 PolarHBondContact O-N 2.99Å; W250-S253 PolarHBondContact O-N 2.76Å; W250-A254 WeakPolarHBondContact O-CB 3.41Å; W250-A254 PolarHBondContact O-N 3.3Å
251F83Confident77.2Confident0 Ų048.6 Ų48.60%025%0.248CC..Hα-helixtrans-50.9-53.4-175.7-171.2-117.2000113.5L228 V241 L245 A246 S248 S253 A254 I255 I278L228-F251 HydrophobicContact CD2-CE1 4.32Å; L228-F251 HydrophobicContact CD2-CZ 3.92Å; V241-F251 HydrophobicContact CG1-CZ 4.47Å; L245-F251 HydrophobicContact CB-CD2 4.33Å; L245-F251 HydrophobicContact CD2-CD2 4.4Å; L245-F251 WeakPolarHBondContact O-CB 3.37Å; A246-F251 VanDerWaalsContact CA-CD2 3.5Å; A246-F251 HydrophobicContact CB-CD2 4.01Å; A246-F251 HydrophobicContact CB-CE2 3.92Å; A246-F251 HydrophobicContact CB-CG 4.36Å; A246-F251 HydrophobicContact CB-CZ 4.2Å; S248-F251 PolarHBondContact O-N 3.13Å; F251-S253 VanDerWaalsContact C-N 3.29Å; F251-S253 PolarHBondContact O-N 3.21Å; F251-A254 WeakPolarHBondContact O-CB 3.29Å; F251-A254 PolarHBondContact O-N 3.44Å; F251-A254 VanDerWaalsContact O-N 3.14Å; F251-I255 HydrophobicContact CD1-CD1 3.87Å; F251-I255 HydrophobicContact CD2-CD1 4.47Å; F251-I255 HydrophobicContact CE1-CD1 3.42Å; F251-I255 VanDerWaalsContact CE1-CD1 3.42Å; F251-I255 HydrophobicContact CE2-CD1 4.09Å; F251-I255 HydrophobicContact CG-CD1 4.39Å; F251-I255 HydrophobicContact CZ-CD1 3.56Å; F251-I255 WeakPolarHBondContact O-CG1 3.48Å; F251-I255 PolarHBondContact O-N 3.45Å; F251-I278 HydrophobicContact CD1-CG2 3.81Å; F251-I278 HydrophobicContact CE1-CB 4.33Å; F251-I278 HydrophobicContact CE1-CD1 3.8Å; F251-I278 HydrophobicContact CE1-CG2 3.71Å; F251-I278 HydrophobicContact CZ-CD1 3.99Å
252D82.2Confident76.8Confident42 Ų4253.2 Ų53.223%0.22527%0.273CS..Hα-helixtrans-67.5-36.8-175.6-50.2-36000110.9W250 A254 I255 K256 R282W250-D252 PolarHBondContact O-N 2.99Å; D252-A254 VanDerWaalsContact C-N 3.35Å; D252-I255 PolarHBondContact O-N 2.93Å; D252-K256 WeakPolarHBondContact O-CB 3.4Å; D252-K256 VanDerWaalsContact O-CG 3.28Å; D252-K256 WeakPolarHBondContact O-CG 3.33Å; D252-K256 PolarHBondContact O-N 3.37Å; D252-R282 IonicContact OD1-NH2 3.88Å; D252-R282 IonicContact OD2-CZ 3.12Å; D252-R282 IonicContact OD2-NH1 2.77Å; D252-R282 IonicContact OD2-NH2 2.72Å; D252-R282 PolarHBondContact OD2-NH2 3.32Å
253S78.9Confident76.4Confident71 Ų7152.7 Ų52.750%0.49727%0.271SS..Hα-helixtrans-67.9-36.9176-65.40000111.5W250 F251 R257W250-S253 PolarHBondContact O-N 2.76Å; F251-S253 VanDerWaalsContact C-N 3.29Å; F251-S253 PolarHBondContact O-N 3.21Å; S253-R257 WeakPolarHBondContact O-CB 3.29Å; S253-R257 PolarHBondContact O-N 2.96Å
254A79.8Confident76.3Confident27 Ų2758.3 Ų58.322%0.22330%0.295CS..Hα-helixtrans-66.5-43.217600000111.3V240 L245 W250 F251 D252 R257 H258V240-A254 HydrophobicContact CG1-CB 4.2Å; L245-A254 HydrophobicContact CD2-CB 3.7Å; W250-A254 WeakPolarHBondContact O-CB 3.41Å; W250-A254 PolarHBondContact O-N 3.3Å; F251-A254 WeakPolarHBondContact O-CB 3.29Å; F251-A254 PolarHBondContact O-N 3.44Å; F251-A254 VanDerWaalsContact O-N 3.14Å; D252-A254 VanDerWaalsContact C-N 3.35Å; A254-R257 PolarHBondContact O-N 3.16Å; A254-H258 WeakPolarHBondContact O-CB 3.18Å; A254-H258 PolarHBondContact O-N 3.16Å
255I83.1Confident76Confident2 Ų256.3 Ų56.31%0.0128%0.284CS..Hα-helixtrans-62.4-51.6174.6-68.6174.3000110.5L228 L236 V240 F251 D252 R257 H258 L259 P263 I275L228-I255 HydrophobicContact CD2-CD1 4.45Å; L236-I255 HydrophobicContact CD1-CG2 4.44Å; L236-I255 HydrophobicContact CD2-CG2 4.26Å; V240-I255 HydrophobicContact CG1-CG1 4.08Å; F251-I255 HydrophobicContact CD1-CD1 3.87Å; F251-I255 HydrophobicContact CD2-CD1 4.47Å; F251-I255 HydrophobicContact CE1-CD1 3.42Å; F251-I255 VanDerWaalsContact CE1-CD1 3.42Å; F251-I255 HydrophobicContact CE2-CD1 4.09Å; F251-I255 HydrophobicContact CG-CD1 4.39Å; F251-I255 HydrophobicContact CZ-CD1 3.56Å; F251-I255 WeakPolarHBondContact O-CG1 3.48Å; F251-I255 PolarHBondContact O-N 3.45Å; D252-I255 PolarHBondContact O-N 2.93Å; I255-R257 VanDerWaalsContact C-N 3.28Å; I255-R257 PolarHBondContact O-N 3.04Å; I255-H258 PolarHBondContact O-N 2.91Å; I255-H258 VanDerWaalsContact O-N 3.13Å; I255-L259 HydrophobicContact CG2-CD1 3.68Å; I255-L259 HydrophobicContact CG2-CG 4.31Å; I255-L259 WeakPolarHBondContact O-CG 3.1Å; I255-L259 PolarHBondContact O-N 3.22Å; I255-P263 HydrophobicContact CG2-CG 4.5Å; I255-I275 HydrophobicContact CD1-CD1 4.06Å; I255-I275 HydrophobicContact CD1-CG1 4.06Å; I255-I275 HydrophobicContact CG2-CD1 4.23Å
256K79.7Confident75.8Confident109 Ų10955.4 Ų55.447%0.47428%0.279SS..Hα-helixtrans-57.5-42.3178-76-177.3179.8-165.80111.8D252 L259 G260 P263D252-K256 WeakPolarHBondContact O-CB 3.4Å; D252-K256 VanDerWaalsContact O-CG 3.28Å; D252-K256 WeakPolarHBondContact O-CG 3.33Å; D252-K256 PolarHBondContact O-N 3.37Å; K256-L259 PolarHBondContact O-N 2.99Å; K256-G260 WeakPolarHBondContact O-CA 3.42Å; K256-G260 PolarHBondContact O-N 3.43Å; K256-P263 HydrophobicContact CG-CG 3.9Å
257R73.5Confident75.8Confident135 Ų13555.9 Ų55.951%0.50928%0.282SS..Hα-helixtrans-66.6-37.3178.2-173.8178.1127.6162.8-8112.2S253 A254 I255S253-R257 WeakPolarHBondContact O-CB 3.29Å; S253-R257 PolarHBondContact O-N 2.96Å; A254-R257 PolarHBondContact O-N 3.16Å; I255-R257 VanDerWaalsContact C-N 3.28Å; I255-R257 PolarHBondContact O-N 3.04Å
258H76Confident76.1Confident93 Ų9357.9 Ų57.943%0.43129%0.294SS..Hα-helixtrans-71.4-41.4177.7-170.978.3000112.1Q235 P237 V240 A254 I255Q235-H258 PolarHBondContact O-CD2 3.49Å; P237-H258 VanDerWaalsContact CD-CE1 3.49Å; P237-H258 WeakPolarHBondContact CD-CE1 3.37Å; P237-H258 VanDerWaalsContact CD-NE2 3.25Å; P237-H258 WeakPolarHBondContact CD-NE2 3.47Å; V240-H258 HydrophobicContact CG2-CB 4.44Å; A254-H258 WeakPolarHBondContact O-CB 3.18Å; A254-H258 PolarHBondContact O-N 3.16Å; I255-H258 PolarHBondContact O-N 2.91Å; I255-H258 VanDerWaalsContact O-N 3.13Å
259L72.5Confident76.3Confident3 Ų361.5 Ų61.52%0.01632%0.319CS..Hα-helixtrans-72.7-36.9179.3-67.5174.8000111.9L236 I255 K256 T261 P263 I266 L267 N568L236-L259 HydrophobicContact CD2-CD1 4.43Å; L236-L259 HydrophobicContact CD2-CD2 3.86Å; L236-L259 HydrophobicContact CD2-CG 3.97Å; I255-L259 HydrophobicContact CG2-CD1 3.68Å; I255-L259 HydrophobicContact CG2-CG 4.31Å; I255-L259 WeakPolarHBondContact O-CG 3.1Å; I255-L259 PolarHBondContact O-N 3.22Å; K256-L259 PolarHBondContact O-N 2.99Å; L259-T261 PolarHBondContact O-N 2.96Å; L259-P263 HydrophobicContact CD1-CB 3.89Å; L259-P263 HydrophobicContact CD1-CG 4.2Å; L259-I266 HydrophobicContact CD2-CG2 4.31Å; L259-L267 HydrophobicContact CD1-CD1 3.89Å; L259-L267 HydrophobicContact CD1-CD2 4.11Å; L259-L267 HydrophobicContact CD1-CG 3.88Å; L259-L267 HydrophobicContact CD2-CD2 4.31Å; L259-N568 PolarHBondContact O-ND2 2.94Å
260G67Low76.9Confident44 Ų4461.4 Ų61.445%0.45432%0.321SS..  trans69.51-178.200000114.8K256 N568K256-G260 WeakPolarHBondContact O-CA 3.42Å; K256-G260 PolarHBondContact O-N 3.43Å; G260-N568 WeakPolarHBondContact CA-ND2 3.2Å; G260-N568 PolarHBondContact O-ND2 3.44Å
261T66.7Low77.4Confident16 Ų1653.8 Ų53.810%0.09829%0.293CS..SBendtrans-119.8175.1164.751.40000110L259 I266 N568L259-T261 PolarHBondContact O-N 2.96Å; T261-I266 HydrophobicContact CG2-CD1 4.19Å; T261-I266 WeakPolarHBondContact OG1-CD1 3.19Å; T261-I266 WeakPolarHBondContact OG1-CG1 3.49Å; T261-N568 HydrophobicContact CG2-CB 3.13Å; T261-N568 VanDerWaalsContact CG2-CG 3.44Å; T261-N568 WeakPolarHBondContact CG2-O 3.41Å
262D73.3Confident77.7Confident98 Ų9856.1 Ų56.152%0.52431%0.305SS..  trans-53.2130155-73.6-41.2000110.7Q264 D265D262-Q264 PolarHBondContact O-N 3.49Å; D262-Q264 VanDerWaalsContact O-N 3.09Å; D262-D265 PolarHBondContact O-N 2.81Å
263P74.7Confident78Confident15 Ų1555.6 Ų55.610%0.09730%0.301CS..Hα-helixtrans-58.5-26.2-178.7-24.732.6000112.7I255 K256 L259 D265 I266 L267 L272I255-P263 HydrophobicContact CG2-CG 4.5Å; K256-P263 HydrophobicContact CG-CG 3.9Å; L259-P263 HydrophobicContact CD1-CB 3.89Å; L259-P263 HydrophobicContact CD1-CG 4.2Å; P263-D265 PolarHBondContact O-N 3.24Å; P263-I266 PolarHBondContact O-N 2.9Å; P263-L267 HydrophobicContact CB-CD1 3.78Å; P263-L267 HydrophobicContact CB-CG 4.28Å; P263-L267 VanDerWaalsContact O-CB 3.25Å; P263-L267 WeakPolarHBondContact O-CB 3.16Å; P263-L267 WeakPolarHBondContact O-CG 3.4Å; P263-L267 PolarHBondContact O-N 3.45Å; P263-L272 HydrophobicContact CB-CD2 3.8Å
264Q77.5Confident78.5Confident153 Ų15352.2 Ų52.272%0.71528%0.278SS*.Hα-helixtrans-62.1-26.6-176.8-60.8-174.5700113.4D262 L272D262-Q264 PolarHBondContact O-N 3.49Å; D262-Q264 VanDerWaalsContact O-N 3.09Å; Q264-L272 HydrophobicContact CB-CD1 4.16Å; Q264-L272 HydrophobicContact CB-CD2 4.45Å; Q264-L272 HydrophobicContact CG-CD1 4.14Å; Q264-L272 HydrophobicContact CG-CD2 4.03Å
265D68.7Low79Confident37 Ų3752 Ų5220%0.19827%0.272CS..Hα-helixtrans-83.1-24.1-176-67.6-23.7000113.1D262 P263 I571 I575 H576D262-D265 PolarHBondContact O-N 2.81Å; P263-D265 PolarHBondContact O-N 3.24Å; D265-I571 HydrophobicContact CB-CG2 3.86Å; D265-I575 HydrophobicContact CB-CD1 4.01Å; D265-H576 IonicContact OD1-CE1 3.69Å
266I72.1Confident79.3Confident21 Ų2154 Ų5411%0.10829%0.286CS..Hα-helixtrans-113.3-39-172.4-60.2-176.8000111.8Q235 L259 T261 P263 K608Q235-I266 PolarHBondContact NE2-O 2.87Å; Q235-I266 VanDerWaalsContact NE2-O 3.15Å; L259-I266 HydrophobicContact CD2-CG2 4.31Å; T261-I266 HydrophobicContact CG2-CD1 4.19Å; T261-I266 WeakPolarHBondContact OG1-CD1 3.19Å; T261-I266 WeakPolarHBondContact OG1-CG1 3.49Å; P263-I266 PolarHBondContact O-N 2.9Å; I266-K608 HydrophobicContact CD1-CD 4.5Å
267L79.2Confident79.8Confident10 Ų1048.8 Ų48.85%0.05226%0.264CS..SBendtrans-84.3149.2-173.8-60.4-175000111Q235 L236 L259 P263 A271 L272 I275Q235-L267 VanDerWaalsContact OE1-CD2 3.23Å; L236-L267 HydrophobicContact CD1-CD2 4.44Å; L259-L267 HydrophobicContact CD1-CD1 3.89Å; L259-L267 HydrophobicContact CD1-CD2 4.11Å; L259-L267 HydrophobicContact CD1-CG 3.88Å; L259-L267 HydrophobicContact CD2-CD2 4.31Å; P263-L267 HydrophobicContact CB-CD1 3.78Å; P263-L267 HydrophobicContact CB-CG 4.28Å; P263-L267 VanDerWaalsContact O-CB 3.25Å; P263-L267 WeakPolarHBondContact O-CB 3.16Å; P263-L267 WeakPolarHBondContact O-CG 3.4Å; P263-L267 PolarHBondContact O-N 3.45Å; L267-A271 HydrophobicContact CB-CB 4.01Å; L267-A271 HydrophobicContact CD1-CB 4.43Å; L267-L272 HydrophobicContact CB-CD2 4.11Å; L267-L272 HydrophobicContact CB-CG 4.15Å; L267-L272 HydrophobicContact CD1-CD2 4.34Å; L267-I275 HydrophobicContact CD1-CD1 3.37Å
268S81.6Confident80.7Confident54 Ų5442.4 Ų42.438%0.37824%0.24SC..  trans-62.615517266.50000111.3K270 A271 L272S268-K270 PolarHBondContact O-N 3.12Å; S268-K270 VanDerWaalsContact O-N 3.17Å; S268-A271 PolarHBondContact O-N 2.81Å; S268-A271 WeakPolarHBondContact OG-CB 3.46Å; S268-A271 PolarHBondContact OG-N 3.17Å; S268-L272 WeakPolarHBondContact O-CG 3.28Å; S268-L272 PolarHBondContact O-N 3.28Å
269S82.5Confident81.4Confident102 Ų10239 Ų3971%0.71323%0.227SC*.Hα-helixtrans-53.7-36.3174.155.20000112.3Q273S269-Q273 WeakPolarHBondContact O-CB 3.4Å; S269-Q273 PolarHBondContact O-N 3.38Å
270K86.7Confident82.2Confident97 Ų9741.2 Ų41.242%0.42224%0.236SC..Hα-helixtrans-63.8-45.7174.4-174.4174.3178.5-1770112.1E227 S268 Q273 L274E227-K270 IonicContact OE2-NZ 3.93Å; S268-K270 PolarHBondContact O-N 3.12Å; S268-K270 VanDerWaalsContact O-N 3.17Å; K270-Q273 WeakPolarHBondContact O-CB 3.35Å; K270-Q273 PolarHBondContact O-N 3.41Å; K270-L274 HydrophobicContact CG-CD1 4.27Å; K270-L274 WeakPolarHBondContact O-CG 3.46Å; K270-L274 PolarHBondContact O-N 2.9Å
271A86.9Confident83.4Confident0 Ų039.2 Ų39.20%021%0.214CC..Hα-helixtrans-65.2-39178.800000112.2L228 C231 L267 S268 Q273 L274 I275L228-A271 HydrophobicContact CD1-CB 3.84Å; C231-A271 HydrophobicContact CB-CB 4.49Å; L267-A271 HydrophobicContact CB-CB 4.01Å; L267-A271 HydrophobicContact CD1-CB 4.43Å; S268-A271 PolarHBondContact O-N 2.81Å; S268-A271 WeakPolarHBondContact OG-CB 3.46Å; S268-A271 PolarHBondContact OG-N 3.17Å; A271-Q273 VanDerWaalsContact C-N 3.32Å; A271-Q273 PolarHBondContact O-N 3.48Å; A271-L274 PolarHBondContact O-N 3.48Å; A271-I275 WeakPolarHBondContact O-CG1 3.26Å; A271-I275 PolarHBondContact O-N 3.34Å
272L88.4Confident84.5Confident49 Ų4939.5 Ų39.526%0.25721%0.214SC..Hα-helixtrans-62.9-40.6173.8-65168.2000112.2P263 Q264 L267 S268 I275 S276P263-L272 HydrophobicContact CB-CD2 3.8Å; Q264-L272 HydrophobicContact CB-CD1 4.16Å; Q264-L272 HydrophobicContact CB-CD2 4.45Å; Q264-L272 HydrophobicContact CG-CD1 4.14Å; Q264-L272 HydrophobicContact CG-CD2 4.03Å; L267-L272 HydrophobicContact CB-CD2 4.11Å; L267-L272 HydrophobicContact CB-CG 4.15Å; L267-L272 HydrophobicContact CD1-CD2 4.34Å; S268-L272 WeakPolarHBondContact O-CG 3.28Å; S268-L272 PolarHBondContact O-N 3.28Å; L272-I275 PolarHBondContact O-N 3.4Å; L272-S276 PolarHBondContact O-N 3.44Å
273Q89.3Confident85.3Confident32 Ų3241.3 Ų41.315%0.1522%0.219CC..Hα-helixtrans-62.9-44.5175.5-175.356.846.600111.2S269 K270 A271 I275 S276 D277 K312S269-Q273 WeakPolarHBondContact O-CB 3.4Å; S269-Q273 PolarHBondContact O-N 3.38Å; K270-Q273 WeakPolarHBondContact O-CB 3.35Å; K270-Q273 PolarHBondContact O-N 3.41Å; A271-Q273 VanDerWaalsContact C-N 3.32Å; A271-Q273 PolarHBondContact O-N 3.48Å; Q273-I275 PolarHBondContact O-N 3.08Å; Q273-S276 WeakPolarHBondContact O-CB 3.15Å; Q273-S276 PolarHBondContact O-N 3.35Å; Q273-S276 VanDerWaalsContact O-N 3.16Å; Q273-D277 PolarHBondContact NE2-OD1 3.25Å; Q273-D277 VanDerWaalsContact NE2-OD1 3.15Å; Q273-D277 PolarHBondContact NE2-OD2 3.34Å; Q273-D277 VanDerWaalsContact O-CG 3.26Å; Q273-D277 PolarHBondContact O-N 3.35Å; Q273-K312 PolarHBondContact NE2-O 2.86Å; Q273-K312 PolarHBondContact OE1-O 2.81Å
274L90.3Very high86.1Confident0 Ų041 Ų410%022%0.217CC..Hα-helixtrans-61.2-40.3175.7-75.4165.3000112.7C224 E227 L228 K270 A271 S276 D277 I278 S314C224-L274 HydrophobicContact CB-CD2 4Å; E227-L274 HydrophobicContact CB-CD1 3.89Å; E227-L274 HydrophobicContact CB-CD2 4.08Å; L228-L274 HydrophobicContact CB-CB 4.36Å; L228-L274 HydrophobicContact CB-CD1 4.23Å; L228-L274 HydrophobicContact CD1-CB 4.19Å; K270-L274 HydrophobicContact CG-CD1 4.27Å; K270-L274 WeakPolarHBondContact O-CG 3.46Å; K270-L274 PolarHBondContact O-N 2.9Å; A271-L274 PolarHBondContact O-N 3.48Å; L274-S276 VanDerWaalsContact C-N 3.33Å; L274-D277 PolarHBondContact O-N 2.86Å; L274-I278 WeakPolarHBondContact O-CB 3.4Å; L274-I278 VanDerWaalsContact O-CG1 3.27Å; L274-I278 WeakPolarHBondContact O-CG1 3.31Å; L274-I278 PolarHBondContact O-N 2.86Å; L274-S314 VanDerWaalsContact CD2-CB 3.44Å; L274-S314 VanDerWaalsContact CD2-OG 3.28Å; L274-S314 WeakPolarHBondContact CD2-OG 3.3Å
275I89.9Confident86.7Confident22 Ų2234 Ų3411%0.11318%0.184CC..Hα-helixtrans-63.2-42174.9-68.3165.8000110.6L228 I255 L267 A271 L272 Q273 I278 A279L228-I275 HydrophobicContact CD1-CD1 4.48Å; L228-I275 HydrophobicContact CD1-CG1 4.13Å; L228-I275 HydrophobicContact CD2-CG1 3.94Å; I255-I275 HydrophobicContact CD1-CD1 4.06Å; I255-I275 HydrophobicContact CD1-CG1 4.06Å; I255-I275 HydrophobicContact CG2-CD1 4.23Å; L267-I275 HydrophobicContact CD1-CD1 3.37Å; A271-I275 WeakPolarHBondContact O-CG1 3.26Å; A271-I275 PolarHBondContact O-N 3.34Å; L272-I275 PolarHBondContact O-N 3.4Å; Q273-I275 PolarHBondContact O-N 3.08Å; I275-I278 PolarHBondContact O-N 3.28Å; I275-A279 WeakPolarHBondContact O-CB 3.3Å; I275-A279 PolarHBondContact O-N 3.18Å
276S89.1Confident87.6Confident44 Ų4433.1 Ų33.131%0.30818%0.179SC..Hα-helixtrans-62.8-42.1174.7-172.10000112L272 Q273 L274 A279 R280L272-S276 PolarHBondContact O-N 3.44Å; Q273-S276 WeakPolarHBondContact O-CB 3.15Å; Q273-S276 PolarHBondContact O-N 3.35Å; Q273-S276 VanDerWaalsContact O-N 3.16Å; L274-S276 VanDerWaalsContact C-N 3.33Å; S276-A279 WeakPolarHBondContact O-CB 3.22Å; S276-A279 PolarHBondContact O-N 3.43Å; S276-R280 WeakPolarHBondContact O-CG 3.33Å; S276-R280 PolarHBondContact O-N 3.47Å
277D90.4Very high88.5Confident0 Ų032.6 Ų32.60%018%0.177CC..Hα-helixtrans-65-44.2177.4-69.7-35.3000111.8Q273 L274 A279 R280 F281 S314 W316Q273-D277 PolarHBondContact NE2-OD1 3.25Å; Q273-D277 VanDerWaalsContact NE2-OD1 3.15Å; Q273-D277 PolarHBondContact NE2-OD2 3.34Å; Q273-D277 VanDerWaalsContact O-CG 3.26Å; Q273-D277 PolarHBondContact O-N 3.35Å; L274-D277 PolarHBondContact O-N 2.86Å; D277-A279 VanDerWaalsContact C-N 3.3Å; D277-A279 PolarHBondContact O-N 3.28Å; D277-R280 WeakPolarHBondContact O-CB 3.48Å; D277-R280 PolarHBondContact O-N 3.29Å; D277-R280 VanDerWaalsContact O-N 3.14Å; D277-R280 IonicContact OD1-CZ 3.59Å; D277-R280 IonicContact OD1-NH1 2.62Å; D277-R280 PolarHBondContact OD1-NH1 3.21Å; D277-F281 HydrophobicContact CB-CE2 4.44Å; D277-F281 VanDerWaalsContact O-CD2 3.29Å; D277-F281 WeakPolarHBondContact O-CD2 2.8Å; D277-F281 WeakPolarHBondContact O-CG 3.4Å; D277-F281 PolarHBondContact O-N 3Å; D277-S314 PolarHBondContact OD2-N 2.7Å; D277-W316 PolarHBondContact OD1-NE1 3.45Å; D277-W316 VanDerWaalsContact OD1-NE1 3.1Å; D277-W316 PolarHBondContact OD2-NE1 3.44Å
278I91.4Very high89Confident0 Ų032.1 Ų32.10%018%0.175CC..Hα-helixtrans-58-43.5172.6-71.4165.6000111L221 C224 V225 L228 A246 F251 L274 I275 R280 F281 R282L221-I278 HydrophobicContact CD1-CB 4.38Å; L221-I278 HydrophobicContact CD1-CG1 4.29Å; L221-I278 HydrophobicContact CD1-CG2 3.86Å; C224-I278 HydrophobicContact CB-CD1 4.39Å; C224-I278 HydrophobicContact CB-CG1 3.92Å; V225-I278 HydrophobicContact CG2-CD1 3.9Å; V225-I278 HydrophobicContact CG2-CG1 4.43Å; L228-I278 HydrophobicContact CD2-CD1 3.91Å; A246-I278 HydrophobicContact CB-CG2 4.05Å; F251-I278 HydrophobicContact CD1-CG2 3.81Å; F251-I278 HydrophobicContact CE1-CB 4.33Å; F251-I278 HydrophobicContact CE1-CD1 3.8Å; F251-I278 HydrophobicContact CE1-CG2 3.71Å; F251-I278 HydrophobicContact CZ-CD1 3.99Å; L274-I278 WeakPolarHBondContact O-CB 3.4Å; L274-I278 VanDerWaalsContact O-CG1 3.27Å; L274-I278 WeakPolarHBondContact O-CG1 3.31Å; L274-I278 PolarHBondContact O-N 2.86Å; I275-I278 PolarHBondContact O-N 3.28Å; I278-R280 VanDerWaalsContact C-N 3.32Å; I278-R280 PolarHBondContact O-N 3.37Å; I278-F281 PolarHBondContact O-N 3.33Å; I278-R282 WeakPolarHBondContact O-CB 3.18Å; I278-R282 PolarHBondContact O-N 2.84Å
279A91Very high89.3Confident21 Ų2129.6 Ų29.617%0.17416%0.157CC..Hα-helixtrans-62.7-38.9177.600000112.1I275 S276 D277 R282 Q283I275-A279 WeakPolarHBondContact O-CB 3.3Å; I275-A279 PolarHBondContact O-N 3.18Å; S276-A279 WeakPolarHBondContact O-CB 3.22Å; S276-A279 PolarHBondContact O-N 3.43Å; D277-A279 VanDerWaalsContact C-N 3.3Å; D277-A279 PolarHBondContact O-N 3.28Å; A279-R282 PolarHBondContact O-N 3.17Å; A279-Q283 WeakPolarHBondContact O-CG 3.42Å; A279-Q283 PolarHBondContact O-N 3.21Å
280R89.9Confident89.4Confident50 Ų5024.8 Ų24.819%0.18912%0.123CC..Hα-helixtrans-64.8-45.6174.6-70.1167.1-177.2143.6-0.8111.9S276 D277 I278 R282 Q283 L284 L303S276-R280 WeakPolarHBondContact O-CG 3.33Å; S276-R280 PolarHBondContact O-N 3.47Å; D277-R280 WeakPolarHBondContact O-CB 3.48Å; D277-R280 PolarHBondContact O-N 3.29Å; D277-R280 VanDerWaalsContact O-N 3.14Å; D277-R280 IonicContact OD1-CZ 3.59Å; D277-R280 IonicContact OD1-NH1 2.62Å; D277-R280 PolarHBondContact OD1-NH1 3.21Å; I278-R280 VanDerWaalsContact C-N 3.32Å; I278-R280 PolarHBondContact O-N 3.37Å; R280-R282 VanDerWaalsContact C-N 3.32Å; R280-R282 PolarHBondContact O-N 3.39Å; R280-Q283 WeakPolarHBondContact O-CB 3.18Å; R280-Q283 PolarHBondContact O-N 3.22Å; R280-Q283 VanDerWaalsContact O-N 3.11Å; R280-L284 PolarHBondContact O-N 2.75Å; R280-L303 HydrophobicContact CB-CD1 3.87Å; R280-L303 HydrophobicContact CG-CD1 4.05Å
281F91.6Very high89.4Confident2 Ų221 Ų211%0.00911%0.107CC..Hα-helixtrans-61.4-42.4176.7-63-41.2000112L217 L220 L221 C224 D277 I278 Q283 L284 I285 W316L217-F281 HydrophobicContact CD2-CD1 4.22Å; L220-F281 HydrophobicContact CB-CD2 4.47Å; L220-F281 HydrophobicContact CB-CE1 4.2Å; L220-F281 HydrophobicContact CB-CE2 3.99Å; L220-F281 HydrophobicContact CB-CZ 3.83Å; L220-F281 HydrophobicContact CD1-CE1 3.98Å; L220-F281 HydrophobicContact CD1-CZ 4.21Å; L220-F281 HydrophobicContact CG-CZ 4.47Å; L221-F281 HydrophobicContact CD1-CB 4.29Å; C224-F281 HydrophobicContact CB-CE2 4.44Å; D277-F281 HydrophobicContact CB-CE2 4.44Å; D277-F281 VanDerWaalsContact O-CD2 3.29Å; D277-F281 WeakPolarHBondContact O-CD2 2.8Å; D277-F281 WeakPolarHBondContact O-CG 3.4Å; D277-F281 PolarHBondContact O-N 3Å; I278-F281 PolarHBondContact O-N 3.33Å; F281-Q283 VanDerWaalsContact C-N 3.27Å; F281-Q283 PolarHBondContact O-N 3.26Å; F281-L284 HydrophobicContact CD1-CD1 4.48Å; F281-L284 WeakPolarHBondContact O-CB 3.08Å; F281-L284 PolarHBondContact O-N 3.37Å; F281-L284 VanDerWaalsContact O-N 3.08Å; F281-I285 VanDerWaalsContact O-CG1 3.29Å; F281-I285 WeakPolarHBondContact O-CG1 2.91Å; F281-I285 PolarHBondContact O-N 2.87Å; F281-W316 HydrophobicContact CE1-CD2 4.06Å; F281-W316 AromaticContact CE1-CE3 3.83Å; F281-W316 HydrophobicContact CE1-CE3 3.83Å; F281-W316 HydrophobicContact CE1-CH2 4.05Å; F281-W316 HydrophobicContact CE1-CZ2 4.2Å; F281-W316 AromaticContact CE1-CZ3 3.82Å; F281-W316 HydrophobicContact CE1-CZ3 3.82Å; F281-W316 HydrophobicContact CE2-CD2 4.48Å; F281-W316 HydrophobicContact CZ-CB 4.45Å; F281-W316 AromaticContact CZ-CD2 3.45Å; F281-W316 HydrophobicContact CZ-CD2 3.45Å; F281-W316 VanDerWaalsContact CZ-CD2 3.45Å; F281-W316 AromaticContact CZ-CE2 3.78Å; F281-W316 AromaticContact CZ-CE3 3.55Å; F281-W316 HydrophobicContact CZ-CE3 3.55Å; F281-W316 AromaticContact CZ-CG 3.85Å; F281-W316 HydrophobicContact CZ-CG 3.85Å; F281-W316 HydrophobicContact CZ-CH2 4.4Å; F281-W316 HydrophobicContact CZ-CZ2 4.25Å; F281-W316 HydrophobicContact CZ-CZ3 4.05Å
282R90.4Very high89.4Confident22 Ų2222.3 Ų22.38%0.08311%0.114CC..Hα-helixtrans-61.8-35.2174.7-173.3179.356.4-162-11.2112.5S248 D252 I278 A279 R280 N286S248-R282 VanDerWaalsContact O-CD 3.24Å; S248-R282 WeakPolarHBondContact O-CD 3.31Å; S248-R282 PolarHBondContact O-NH1 2.83Å; D252-R282 IonicContact OD1-NH2 3.88Å; D252-R282 IonicContact OD2-CZ 3.12Å; D252-R282 IonicContact OD2-NH1 2.77Å; D252-R282 IonicContact OD2-NH2 2.72Å; D252-R282 PolarHBondContact OD2-NH2 3.32Å; I278-R282 WeakPolarHBondContact O-CB 3.18Å; I278-R282 PolarHBondContact O-N 2.84Å; A279-R282 PolarHBondContact O-N 3.17Å; R280-R282 VanDerWaalsContact C-N 3.32Å; R280-R282 PolarHBondContact O-N 3.39Å; R282-N286 VanDerWaalsContact O-CG 3.31Å; R282-N286 PolarHBondContact O-N 3.49Å; R282-N286 PolarHBondContact O-ND2 3.05Å
283Q89.4Confident89.3Confident137 Ų13720 Ų2064%0.6410%0.102SC*.Hα-helixtrans-65.3-42172.1-73.7174.6-10.400111.8A279 R280 F281 N286 C287A279-Q283 WeakPolarHBondContact O-CG 3.42Å; A279-Q283 PolarHBondContact O-N 3.21Å; R280-Q283 WeakPolarHBondContact O-CB 3.18Å; R280-Q283 PolarHBondContact O-N 3.22Å; R280-Q283 VanDerWaalsContact O-N 3.11Å; F281-Q283 VanDerWaalsContact C-N 3.27Å; F281-Q283 PolarHBondContact O-N 3.26Å; Q283-N286 PolarHBondContact O-N 3.18Å; Q283-C287 WeakPolarHBondContact O-CB 3.43Å; Q283-C287 PolarHBondContact O-N 2.84Å
284L91.9Very high89.3Confident8 Ų826.8 Ų26.84%0.04213%0.126CC..Hα-helixtrans-64.9-41.3176.2-68.4176.8000112.2L217 R280 F281 C287 L288 F296 A299 V300 L303L217-L284 HydrophobicContact CD1-CB 4.29Å; L217-L284 HydrophobicContact CD2-CB 4.03Å; L217-L284 HydrophobicContact CD2-CD1 4.08Å; R280-L284 PolarHBondContact O-N 2.75Å; F281-L284 HydrophobicContact CD1-CD1 4.48Å; F281-L284 WeakPolarHBondContact O-CB 3.08Å; F281-L284 PolarHBondContact O-N 3.37Å; F281-L284 VanDerWaalsContact O-N 3.08Å; L284-C287 WeakPolarHBondContact O-CA 3.49Å; L284-C287 VanDerWaalsContact O-CB 3.31Å; L284-C287 WeakPolarHBondContact O-CB 3.25Å; L284-C287 PolarHBondContact O-N 3.16Å; L284-C287 VanDerWaalsContact O-N 3.15Å; L284-L288 WeakPolarHBondContact O-CB 3.43Å; L284-L288 PolarHBondContact O-N 2.97Å; L284-F296 HydrophobicContact CB-CE2 4.25Å; L284-F296 HydrophobicContact CD2-CE2 4.44Å; L284-A299 HydrophobicContact CD2-CB 3.93Å; L284-V300 HydrophobicContact CD2-CG2 4.04Å; L284-L303 HydrophobicContact CD1-CD2 4.22Å
285I90.5Very high89.2Confident5 Ų527.7 Ų27.73%0.02613%0.133CC..Hα-helixtrans-59.1-51.8175-68.4165.4000110.2L217 L221 F281 C287 L288 E289 M473L217-I285 HydrophobicContact CB-CD1 4.5Å; L217-I285 HydrophobicContact CB-CG1 4.09Å; L217-I285 HydrophobicContact CD1-CG1 3.92Å; L217-I285 HydrophobicContact CG-CG1 4.49Å; L221-I285 HydrophobicContact CD2-CD1 4.37Å; F281-I285 VanDerWaalsContact O-CG1 3.29Å; F281-I285 WeakPolarHBondContact O-CG1 2.91Å; F281-I285 PolarHBondContact O-N 2.87Å; I285-C287 PolarHBondContact O-N 2.98Å; I285-L288 WeakPolarHBondContact O-CB 3.47Å; I285-L288 PolarHBondContact O-N 3.2Å; I285-E289 WeakPolarHBondContact O-CG 3.45Å; I285-E289 PolarHBondContact O-N 3.49Å; I285-M473 HydrophobicContact CB-CE 4.21Å; I285-M473 HydrophobicContact CD1-CE 3.46Å; I285-M473 VanDerWaalsContact CD1-CE 3.46Å; I285-M473 HydrophobicContact CD1-SD 4.35Å; I285-M473 HydrophobicContact CG1-CE 3.52Å; I285-M473 HydrophobicContact CG2-CE 3.63Å
286N87.8Confident89.3Confident20 Ų2026.6 Ų26.611%0.10713%0.128CC..Hα-helixtrans-62.8-31.3177.4-67.2-42.1000111.8R282 Q283 S290 R477R282-N286 VanDerWaalsContact O-CG 3.31Å; R282-N286 PolarHBondContact O-N 3.49Å; R282-N286 PolarHBondContact O-ND2 3.05Å; Q283-N286 PolarHBondContact O-N 3.18Å; N286-S290 WeakPolarHBondContact O-CB 3.32Å; N286-S290 PolarHBondContact O-N 2.92Å; N286-S290 PolarHBondContact O-OG 3.46Å; N286-R477 PolarHBondContact OD1-NH1 3.15Å
287C90Very high89.4Confident9 Ų924.6 Ų24.66%0.06111%0.114CC..Hα-helixtrans-66.3-48.3174.7-166.20000111Q283 L284 I285 E289 S290 Q291 F296Q283-C287 WeakPolarHBondContact O-CB 3.43Å; Q283-C287 PolarHBondContact O-N 2.84Å; L284-C287 WeakPolarHBondContact O-CA 3.49Å; L284-C287 VanDerWaalsContact O-CB 3.31Å; L284-C287 WeakPolarHBondContact O-CB 3.25Å; L284-C287 PolarHBondContact O-N 3.16Å; L284-C287 VanDerWaalsContact O-N 3.15Å; I285-C287 PolarHBondContact O-N 2.98Å; C287-E289 VanDerWaalsContact C-N 3.27Å; C287-E289 PolarHBondContact O-N 3.48Å; C287-S290 PolarHBondContact O-N 3.13Å; C287-Q291 WeakPolarHBondContact O-CB 3.39Å; C287-Q291 PolarHBondContact O-N 3.28Å; C287-Q291 VanDerWaalsContact SG-CD 3.55Å; C287-F296 HydrophobicContact CB-CD2 4.24Å
288L90.1Very high89.5Confident1 Ų131.5 Ų31.51%0.00514%0.144CC..Hα-helixtrans-57.5-39.6177.9-174.172.3000112.2M206 F210 V213 E214 L217 L284 I285 F296 M332M206-L288 HydrophobicContact CE-CD2 4.29Å; M206-L288 HydrophobicContact CE-CG 4.46Å; F210-L288 HydrophobicContact CD1-CD1 3.36Å; F210-L288 HydrophobicContact CD1-CG 3.8Å; F210-L288 HydrophobicContact CE1-CD1 3.66Å; F210-L288 HydrophobicContact CE1-CG 4.25Å; F210-L288 WeakPolarHBondContact CE1-O 3.45Å; F210-L288 HydrophobicContact CG-CD1 4.1Å; V213-L288 HydrophobicContact CG1-CD1 4.04Å; V213-L288 HydrophobicContact CG1-CD2 4.13Å; E214-L288 HydrophobicContact CB-CD2 3.98Å; E214-L288 HydrophobicContact CG-CD2 4.47Å; L217-L288 HydrophobicContact CD1-CD2 4.33Å; L284-L288 WeakPolarHBondContact O-CB 3.43Å; L284-L288 PolarHBondContact O-N 2.97Å; I285-L288 WeakPolarHBondContact O-CB 3.47Å; I285-L288 PolarHBondContact O-N 3.2Å; L288-F296 HydrophobicContact CB-CD2 3.95Å; L288-F296 HydrophobicContact CB-CE2 3.9Å; L288-F296 HydrophobicContact CD1-CD1 4.22Å; L288-F296 HydrophobicContact CD1-CD2 4.09Å; L288-F296 HydrophobicContact CD1-CE1 4.18Å; L288-F296 HydrophobicContact CD1-CE2 4.06Å; L288-F296 HydrophobicContact CD1-CG 4.18Å; L288-F296 HydrophobicContact CD1-CZ 4.12Å; L288-M332 HydrophobicContact CD1-CE 4.32Å
289E87.9Confident89.4Confident1 Ų133.1 Ų33.11%0.00516%0.157CC..Hα-helixtrans-78.5-23.3-178.2-66.4166.2165.700113.7I285 C287 E474 R477I285-E289 WeakPolarHBondContact O-CG 3.45Å; I285-E289 PolarHBondContact O-N 3.49Å; C287-E289 VanDerWaalsContact C-N 3.27Å; C287-E289 PolarHBondContact O-N 3.48Å; E289-E474 PolarHBondContact OE1-N 3.43Å; E289-R477 IonicContact OE1-CZ 2.67Å; E289-R477 IonicContact OE1-NH2 3.01Å; E289-R477 PolarHBondContact OE1-NH2 3.44Å; E289-R477 IonicContact OE2-CZ 2.7Å; E289-R477 IonicContact OE2-NH1 3.02Å; E289-R477 IonicContact OE2-NH2 3.48Å; E289-R477 PolarHBondContact OE2-NH2 3.38Å
290S85.4Confident89.4Confident0 Ų032.1 Ų32.10%015%0.149CC..Hα-helixtrans-119.2-23.3-168.7670000116.5N286 C287 A372N286-S290 WeakPolarHBondContact O-CB 3.32Å; N286-S290 PolarHBondContact O-N 2.92Å; N286-S290 PolarHBondContact O-OG 3.46Å; C287-S290 PolarHBondContact O-N 3.13Å; S290-A372 VanDerWaalsContact O-CB 3.3Å; S290-A372 WeakPolarHBondContact O-CB 3.48Å
291Q86.4Confident89.4Confident17 Ų1732.8 Ų32.88%0.07915%0.153CC..SBendtrans-118.3168.5-172.7-68.3172.159.400111.8C287 A295 P337 N369 A372 Q375C287-Q291 WeakPolarHBondContact O-CB 3.39Å; C287-Q291 PolarHBondContact O-N 3.28Å; C287-Q291 VanDerWaalsContact SG-CD 3.55Å; Q291-A295 HydrophobicContact CB-CB 4.13Å; Q291-P337 WeakPolarHBondContact O-CG 3.34Å; Q291-N369 PolarHBondContact NE2-ND2 2.89Å; Q291-N369 VanDerWaalsContact NE2-ND2 3.15Å; Q291-A372 HydrophobicContact CG-CB 4.23Å; Q291-Q375 VanDerWaalsContact CG-OE1 3.31Å
292D87.3Confident89.3Confident28 Ų2836.6 Ų36.615%0.1518%0.177CC..  trans-67.7161.2176.461.32000114.5R294 A295 F296 W340 Q375D292-R294 PolarHBondContact O-N 3.41Å; D292-A295 PolarHBondContact O-N 2.78Å; D292-A295 WeakPolarHBondContact OD1-CA 3.3Å; D292-A295 WeakPolarHBondContact OD1-CB 3.28Å; D292-A295 PolarHBondContact OD1-N 3.21Å; D292-F296 WeakPolarHBondContact O-CB 3.42Å; D292-F296 PolarHBondContact O-N 3.12Å; D292-W340 HydrophobicContact CB-CH2 3.53Å; D292-W340 HydrophobicContact CB-CZ2 4.04Å; D292-W340 HydrophobicContact CB-CZ3 4.07Å; D292-Q375 VanDerWaalsContact CG-NE2 3.25Å; D292-Q375 PolarHBondContact OD1-NE2 2.96Å; D292-Q375 PolarHBondContact OD2-NE2 3.12Å
293G85.6Confident89.1Confident0 Ų036.6 Ų36.60%018%0.178CC..Hα-helixtrans-57.8-30.9175.500000112.7S297 M332 E335G293-S297 WeakPolarHBondContact O-CB 3.49Å; G293-S297 PolarHBondContact O-N 3.12Å; G293-M332 CarbonylContact C-O 3.6Å; G293-M332 WeakPolarHBondContact CA-O 3.35Å; G293-E335 WeakPolarHBondContact CA-O 3.26Å; G293-E335 PolarHBondContact N-O 3.2Å; G293-E335 VanDerWaalsContact N-O 3.1Å
294R89.1Confident88.8Confident176 Ų17631.7 Ų31.766%0.66416%0.155SC*.Hα-helixtrans-66.8-50.1175.4-170180-180-171.41.2112.8D292 F296 S297 K298 E333D292-R294 PolarHBondContact O-N 3.41Å; R294-F296 VanDerWaalsContact C-N 3.31Å; R294-S297 PolarHBondContact O-N 3.14Å; R294-K298 VanDerWaalsContact O-CB 3.26Å; R294-K298 WeakPolarHBondContact O-CB 3.36Å; R294-K298 PolarHBondContact O-N 3.02Å; R294-E333 WeakPolarHBondContact CB-O 3.27Å; R294-E333 PolarHBondContact N-O 2.97Å
295A89.3Confident88.4Confident18 Ų1836.3 Ų36.315%0.14918%0.184CC..Hα-helixtrans-65.7-38.4177.400000111Q291 D292 K298 A299Q291-A295 HydrophobicContact CB-CB 4.13Å; D292-A295 PolarHBondContact O-N 2.78Å; D292-A295 WeakPolarHBondContact OD1-CA 3.3Å; D292-A295 WeakPolarHBondContact OD1-CB 3.28Å; D292-A295 PolarHBondContact OD1-N 3.21Å; A295-K298 PolarHBondContact O-N 2.88Å; A295-A299 WeakPolarHBondContact O-CB 3.47Å; A295-A299 PolarHBondContact O-N 3.01Å
296F91.5Very high88Confident0 Ų037.7 Ų37.70%019%0.194CC..Hα-helixtrans-61.2-52173.8179.9-99.5000111.8V213 L217 L284 C287 L288 D292 R294 K298 A299 V300 A329V213-F296 HydrophobicContact CG1-CE1 3.6Å; V213-F296 HydrophobicContact CG1-CE2 4.38Å; V213-F296 HydrophobicContact CG1-CZ 3.35Å; L217-F296 HydrophobicContact CD1-CE2 4.41Å; L217-F296 HydrophobicContact CD1-CZ 4.4Å; L284-F296 HydrophobicContact CB-CE2 4.25Å; L284-F296 HydrophobicContact CD2-CE2 4.44Å; C287-F296 HydrophobicContact CB-CD2 4.24Å; L288-F296 HydrophobicContact CB-CD2 3.95Å; L288-F296 HydrophobicContact CB-CE2 3.9Å; L288-F296 HydrophobicContact CD1-CD1 4.22Å; L288-F296 HydrophobicContact CD1-CD2 4.09Å; L288-F296 HydrophobicContact CD1-CE1 4.18Å; L288-F296 HydrophobicContact CD1-CE2 4.06Å; L288-F296 HydrophobicContact CD1-CG 4.18Å; L288-F296 HydrophobicContact CD1-CZ 4.12Å; D292-F296 WeakPolarHBondContact O-CB 3.42Å; D292-F296 PolarHBondContact O-N 3.12Å; R294-F296 VanDerWaalsContact C-N 3.31Å; F296-K298 VanDerWaalsContact C-N 3.31Å; F296-K298 PolarHBondContact O-N 3.49Å; F296-A299 WeakPolarHBondContact O-CB 3.3Å; F296-A299 PolarHBondContact O-N 2.83Å; F296-A299 VanDerWaalsContact O-N 3.07Å; F296-V300 HydrophobicContact CD1-CG2 4.25Å; F296-V300 HydrophobicContact CE1-CG2 3.69Å; F296-V300 HydrophobicContact CE2-CG2 4.05Å; F296-V300 HydrophobicContact CZ-CG2 3.56Å; F296-V300 WeakPolarHBondContact O-CG2 3.37Å; F296-V300 PolarHBondContact O-N 3Å; F296-A329 HydrophobicContact CD1-CB 4.32Å; F296-A329 HydrophobicContact CE1-CB 3.77Å
297S91.4Very high87.2Confident1 Ų144 Ų441%0.00722%0.221CC..Hα-helixtrans-59.9-42.1178.3-166.40000111.5G293 R294 A299 V300 K301 A329 E333G293-S297 WeakPolarHBondContact O-CB 3.49Å; G293-S297 PolarHBondContact O-N 3.12Å; R294-S297 PolarHBondContact O-N 3.14Å; S297-A299 PolarHBondContact O-N 3.4Å; S297-V300 PolarHBondContact O-N 3.48Å; S297-K301 WeakPolarHBondContact O-CB 3.44Å; S297-K301 VanDerWaalsContact O-CG 3.29Å; S297-K301 WeakPolarHBondContact O-CG 3.42Å; S297-K301 PolarHBondContact O-N 2.69Å; S297-A329 VanDerWaalsContact CB-O 3.23Å; S297-A329 WeakPolarHBondContact CB-O 3.48Å; S297-A329 PolarHBondContact OG-O 3.07Å; S297-E333 VanDerWaalsContact OG-CG 3.3Å; S297-E333 WeakPolarHBondContact OG-CG 3.42Å
298K90.9Very high86.3Confident145 Ų14546.7 Ų46.763%0.6324%0.239SC*.Hα-helixtrans-61-42.7173.8-176.1178.4179.1-1800111.9R294 A295 F296 K301 T302R294-K298 VanDerWaalsContact O-CB 3.26Å; R294-K298 WeakPolarHBondContact O-CB 3.36Å; R294-K298 PolarHBondContact O-N 3.02Å; A295-K298 PolarHBondContact O-N 2.88Å; F296-K298 VanDerWaalsContact C-N 3.31Å; F296-K298 PolarHBondContact O-N 3.49Å; K298-K301 PolarHBondContact O-N 2.96Å; K298-T302 VanDerWaalsContact O-CB 3.3Å; K298-T302 WeakPolarHBondContact O-CB 3.48Å; K298-T302 PolarHBondContact O-N 3.27Å; K298-T302 PolarHBondContact O-OG1 3.23Å
299A91Very high85.2Confident34 Ų3446.9 Ų46.928%0.28124%0.24SC..Hα-helixtrans-63.5-43.9177.900000111.3L284 A295 F296 S297 L303L284-A299 HydrophobicContact CD2-CB 3.93Å; A295-A299 WeakPolarHBondContact O-CB 3.47Å; A295-A299 PolarHBondContact O-N 3.01Å; F296-A299 WeakPolarHBondContact O-CB 3.3Å; F296-A299 PolarHBondContact O-N 2.83Å; F296-A299 VanDerWaalsContact O-N 3.07Å; S297-A299 PolarHBondContact O-N 3.4Å; A299-L303 WeakPolarHBondContact O-CB 3.33Å; A299-L303 PolarHBondContact O-N 3.17Å
300V91.2Very high84.4Confident1 Ų152.8 Ų52.81%0.00627%0.266CS..Hα-helixtrans-63.2-51.3174.7173.70000110.7L284 F296 S297 T302 L303 F304 L325 F326 A329L284-V300 HydrophobicContact CD2-CG2 4.04Å; F296-V300 HydrophobicContact CD1-CG2 4.25Å; F296-V300 HydrophobicContact CE1-CG2 3.69Å; F296-V300 HydrophobicContact CE2-CG2 4.05Å; F296-V300 HydrophobicContact CZ-CG2 3.56Å; F296-V300 WeakPolarHBondContact O-CG2 3.37Å; F296-V300 PolarHBondContact O-N 3Å; S297-V300 PolarHBondContact O-N 3.48Å; V300-T302 VanDerWaalsContact C-N 3.32Å; V300-T302 PolarHBondContact O-N 3.41Å; V300-L303 WeakPolarHBondContact O-CB 3.32Å; V300-L303 PolarHBondContact O-N 2.76Å; V300-F304 HydrophobicContact CG1-CD2 3.7Å; V300-F304 HydrophobicContact CG1-CE2 3.75Å; V300-F304 VanDerWaalsContact O-CD2 3.29Å; V300-F304 WeakPolarHBondContact O-CD2 3.44Å; V300-F304 PolarHBondContact O-N 3.46Å; V300-L325 HydrophobicContact CG1-CD2 3.63Å; V300-L325 HydrophobicContact CG2-CD2 4.17Å; V300-F326 HydrophobicContact CG1-CD2 4.21Å; V300-A329 HydrophobicContact CB-CB 4.11Å; V300-A329 HydrophobicContact CG1-CB 3.91Å; V300-A329 HydrophobicContact CG2-CB 4.06Å
301K89.6Confident83.8Confident64 Ų6460.2 Ų60.228%0.27830%0.301SS..Hα-helixtrans-55.4-48.3177.8-74.1177.5-176.4-176.10111S297 K298 L303 F304 T305 F326 E333S297-K301 WeakPolarHBondContact O-CB 3.44Å; S297-K301 VanDerWaalsContact O-CG 3.29Å; S297-K301 WeakPolarHBondContact O-CG 3.42Å; S297-K301 PolarHBondContact O-N 2.69Å; K298-K301 PolarHBondContact O-N 2.96Å; K301-L303 VanDerWaalsContact C-N 3.28Å; K301-L303 PolarHBondContact O-N 2.71Å; K301-F304 PolarHBondContact O-N 3.08Å; K301-T305 WeakPolarHBondContact O-CB 3.44Å; K301-T305 WeakPolarHBondContact O-CG2 3.2Å; K301-T305 PolarHBondContact O-N 3.09Å; K301-T305 PolarHBondContact O-OG1 2.95Å; K301-F326 HydrophobicContact CG-CE2 4.22Å; K301-E333 WeakPolarHBondContact CE-OE1 3.47Å; K301-E333 IonicContact NZ-OE1 2.63Å; K301-E333 PolarHBondContact NZ-OE1 3.23Å; K301-E333 IonicContact NZ-OE2 2.68Å; K301-E333 PolarHBondContact NZ-OE2 3.09Å
302T89Confident83.3Confident81 Ų8166 Ų6650%0.49733%0.326SS..Hα-helixtrans-57.1-42.8177.5-550000111.5K298 V300 T305 S306K298-T302 VanDerWaalsContact O-CB 3.3Å; K298-T302 WeakPolarHBondContact O-CB 3.48Å; K298-T302 PolarHBondContact O-N 3.27Å; K298-T302 PolarHBondContact O-OG1 3.23Å; V300-T302 VanDerWaalsContact C-N 3.32Å; V300-T302 PolarHBondContact O-N 3.41Å; T302-T305 PolarHBondContact O-OG1 2.85Å; T302-S306 VanDerWaalsContact O-CB 3.22Å; T302-S306 WeakPolarHBondContact O-CB 3.38Å; T302-S306 PolarHBondContact O-N 3.19Å
303L86Confident82.8Confident22 Ų2266.1 Ų66.112%0.11533%0.327CS..Hα-helixtrans-65.9-43.6179.5-175.2116.8000112.3R280 L284 A299 V300 K301 T309 W316R280-L303 HydrophobicContact CB-CD1 3.87Å; R280-L303 HydrophobicContact CG-CD1 4.05Å; L284-L303 HydrophobicContact CD1-CD2 4.22Å; A299-L303 WeakPolarHBondContact O-CB 3.33Å; A299-L303 PolarHBondContact O-N 3.17Å; V300-L303 WeakPolarHBondContact O-CB 3.32Å; V300-L303 PolarHBondContact O-N 2.76Å; K301-L303 VanDerWaalsContact C-N 3.28Å; K301-L303 PolarHBondContact O-N 2.71Å; L303-T309 WeakPolarHBondContact O-CB 3.03Å; L303-T309 PolarHBondContact O-OG1 3.23Å; L303-W316 HydrophobicContact CD2-CH2 3.46Å; L303-W316 VanDerWaalsContact CD2-CH2 3.46Å; L303-W316 HydrophobicContact CD2-CZ2 4.04Å; L303-W316 HydrophobicContact CD2-CZ3 4.47Å
304F83.8Confident82.3Confident34 Ų3467 Ų6715%0.14933%0.332CS..Hα-helixtrans-75.3-33.6179.7-83.2-106000113.1V300 K301 W316 L317 A322 L325 F326V300-F304 HydrophobicContact CG1-CD2 3.7Å; V300-F304 HydrophobicContact CG1-CE2 3.75Å; V300-F304 VanDerWaalsContact O-CD2 3.29Å; V300-F304 WeakPolarHBondContact O-CD2 3.44Å; V300-F304 PolarHBondContact O-N 3.46Å; K301-F304 PolarHBondContact O-N 3.08Å; F304-W316 HydrophobicContact CE2-CH2 4.45Å; F304-W316 HydrophobicContact CE2-CZ3 4.42Å; F304-W316 HydrophobicContact CZ-CZ3 4.14Å; F304-L317 HydrophobicContact CD1-CD1 3.55Å; F304-L317 HydrophobicContact CE1-CD1 3.53Å; F304-L317 HydrophobicContact CG-CD1 4.19Å; F304-L317 HydrophobicContact CZ-CD1 4.16Å; F304-A322 HydrophobicContact CE1-CB 4.3Å; F304-A322 HydrophobicContact CZ-CB 4.15Å; F304-A322 WeakPolarHBondContact CZ-O 3.27Å; F304-L325 HydrophobicContact CE2-CD2 3.64Å; F304-L325 HydrophobicContact CZ-CD2 3.92Å; F304-F326 HydrophobicContact CB-CD2 3.81Å; F304-F326 HydrophobicContact CB-CE2 3.87Å; F304-F326 HydrophobicContact CD1-CB 4.13Å; F304-F326 AromaticContact CD1-CD2 3.76Å; F304-F326 HydrophobicContact CD1-CD2 3.76Å; F304-F326 HydrophobicContact CD1-CG 4.15Å; F304-F326 AromaticContact CD2-CD2 3.99Å; F304-F326 HydrophobicContact CD2-CD2 3.99Å; F304-F326 HydrophobicContact CE1-CB 3.84Å; F304-F326 HydrophobicContact CE1-CD2 4.31Å; F304-F326 HydrophobicContact CE1-CG 4.38Å; F304-F326 AromaticContact CG-CD2 3.58Å; F304-F326 HydrophobicContact CG-CD2 3.58Å; F304-F326 HydrophobicContact CG-CE2 4.17Å; F304-F326 HydrophobicContact CG-CG 4.4Å; F304-F326 HydrophobicContact CZ-CB 4.06Å
305T82.3Confident81.8Confident105 Ų10560 Ų6064%0.64432%0.315SS*.Hα-helixtrans-82.4-16.1178.658.50000113.5K301 T302 K307K301-T305 WeakPolarHBondContact O-CB 3.44Å; K301-T305 WeakPolarHBondContact O-CG2 3.2Å; K301-T305 PolarHBondContact O-N 3.09Å; K301-T305 PolarHBondContact O-OG1 2.95Å; T302-T305 PolarHBondContact O-OG1 2.85Å; T305-K307 PolarHBondContact O-N 3.2Å; T305-K307 VanDerWaalsContact O-N 3.14Å
306S82.2Confident81.6Confident35 Ų3559.5 Ų59.525%0.24531%0.309CS..  trans-64.4115-179.1170.90000110.6T302 S308 T309 F310T302-S306 VanDerWaalsContact O-CB 3.22Å; T302-S306 WeakPolarHBondContact O-CB 3.38Å; T302-S306 PolarHBondContact O-N 3.19Å; S306-S308 PolarHBondContact O-N 3.47Å; S306-S308 PolarHBondContact OG-OG 3.39Å; S306-T309 WeakPolarHBondContact CB-OG1 3.46Å; S306-T309 WeakPolarHBondContact O-CB 3.42Å; S306-T309 PolarHBondContact O-N 2.9Å; S306-T309 PolarHBondContact OG-N 2.86Å; S306-T309 PolarHBondContact OG-OG1 2.85Å; S306-F310 PolarHBondContact O-N 2.92Å; S306-F310 VanDerWaalsContact O-N 3.07Å
307K71.1Confident81.2Confident153 Ų15360.1 Ų60.167%0.66531%0.313SS*.Hα-helixtrans-54.7-34.2174.9-69.2-176.6-178.8176.10112T305 F310 Q311T305-K307 PolarHBondContact O-N 3.2Å; T305-K307 VanDerWaalsContact O-N 3.14Å; K307-F310 PolarHBondContact O-N 3.18Å; K307-Q311 WeakPolarHBondContact O-CG 3.25Å; K307-Q311 PolarHBondContact O-N 3.4Å
308S70.3Confident80.9Confident64 Ų6466.5 Ų66.545%0.44834%0.341SS..Hα-helixtrans-65.9-38.1177.772.40000112.5S306 K312S306-S308 PolarHBondContact O-N 3.47Å; S306-S308 PolarHBondContact OG-OG 3.39Å; S308-K312 WeakPolarHBondContact O-CB 3.39Å; S308-K312 PolarHBondContact O-N 2.86Å
309T68.7Low80.8Confident5 Ų562 Ų623%0.03133%0.326CS..Hα-helixtrans-70-39.8175.4-47.90000110.4L303 S306 K312 N313 W316L303-T309 WeakPolarHBondContact O-CB 3.03Å; L303-T309 PolarHBondContact O-OG1 3.23Å; S306-T309 WeakPolarHBondContact CB-OG1 3.46Å; S306-T309 WeakPolarHBondContact O-CB 3.42Å; S306-T309 PolarHBondContact O-N 2.9Å; S306-T309 PolarHBondContact OG-N 2.86Å; S306-T309 PolarHBondContact OG-OG1 2.85Å; T309-K312 CarbonylContact O-C 3.59Å; T309-K312 VanDerWaalsContact O-C 3.25Å; T309-N313 VanDerWaalsContact O-CB 3.3Å; T309-N313 WeakPolarHBondContact O-CB 3.42Å; T309-N313 PolarHBondContact O-N 2.9Å; T309-W316 HydrophobicContact CG2-CZ2 4.07Å
310F71.1Confident80.6Confident125 Ų12566.1 Ų66.155%0.54834%0.343SS..Hα-helixtrans-63.8-43177.9-172.4-95.2000112.4S306 K307 N313 L317 F318S306-F310 PolarHBondContact O-N 2.92Å; S306-F310 VanDerWaalsContact O-N 3.07Å; K307-F310 PolarHBondContact O-N 3.18Å; F310-N313 PolarHBondContact O-ND2 2.85Å; F310-L317 HydrophobicContact CD2-CD2 3.92Å; F310-F318 HydrophobicContact CE2-CE1 4.23Å; F310-F318 HydrophobicContact CE2-CZ 4.29Å
311Q72.8Confident80.6Confident156 Ų15666.3 Ų66.373%0.72934%0.344SS*.Hα-helixtrans-76.3-32.9179.5-71.3180-4.900113.3K307K307-Q311 WeakPolarHBondContact O-CG 3.25Å; K307-Q311 PolarHBondContact O-N 3.4Å
312K74.4Confident80.6Confident138 Ų13863.2 Ų63.260%0.633%0.331SS*.SBendtrans-120.471.9-178.8-57.5179.7-179.4176.70108.6Q273 S308 T309Q273-K312 PolarHBondContact NE2-O 2.86Å; Q273-K312 PolarHBondContact OE1-O 2.81Å; S308-K312 WeakPolarHBondContact O-CB 3.39Å; S308-K312 PolarHBondContact O-N 2.86Å; T309-K312 CarbonylContact O-C 3.59Å; T309-K312 VanDerWaalsContact O-C 3.25Å
313N77.3Confident80.7Confident32 Ų3263.2 Ų63.217%0.17133%0.328CS..  trans-114.6159.4164.86439.5000110T309 F310 G315 L317T309-N313 VanDerWaalsContact O-CB 3.3Å; T309-N313 WeakPolarHBondContact O-CB 3.42Å; T309-N313 PolarHBondContact O-N 2.9Å; F310-N313 PolarHBondContact O-ND2 2.85Å; N313-G315 PolarHBondContact O-N 2.84Å; N313-G315 PolarHBondContact OD1-N 3.42Å; N313-G315 VanDerWaalsContact OD1-N 3.11Å; N313-L317 HydrophobicContact CB-CB 4.46Å; N313-L317 WeakPolarHBondContact ND2-CB 3.25Å
314S75.5Confident81Confident17 Ų1767.3 Ų67.312%0.11935%0.345CS..  trans-82.85.8173.174.30000113.8L274 D277L274-S314 VanDerWaalsContact CD2-CB 3.44Å; L274-S314 VanDerWaalsContact CD2-OG 3.28Å; L274-S314 WeakPolarHBondContact CD2-OG 3.3Å; D277-S314 PolarHBondContact OD2-N 2.7Å
315G79.5Confident81.4Confident30 Ų3065.8 Ų65.831%0.30934%0.338SS..SBendtrans99.5-11.9-171.700000114.9N313 L317 F318N313-G315 PolarHBondContact O-N 2.84Å; N313-G315 PolarHBondContact OD1-N 3.42Å; N313-G315 VanDerWaalsContact OD1-N 3.11Å; G315-L317 PolarHBondContact O-N 3.07Å; G315-L317 VanDerWaalsContact O-N 3.13Å; G315-F318 PolarHBondContact O-N 3.06Å; G315-F318 VanDerWaalsContact O-N 3.15Å
316W84.5Confident81.8Confident7 Ų764.3 Ų64.33%0.02732%0.323CS..G310 helixtrans-59.8-27.5-178.770.1-102000113.5L220 D277 F281 L303 F304 T309 F318 T319 A322L220-W316 HydrophobicContact CD1-CE3 4.35Å; L220-W316 HydrophobicContact CD2-CB 4.47Å; L220-W316 HydrophobicContact CD2-CE3 4.26Å; D277-W316 PolarHBondContact OD1-NE1 3.45Å; D277-W316 VanDerWaalsContact OD1-NE1 3.1Å; D277-W316 PolarHBondContact OD2-NE1 3.44Å; F281-W316 HydrophobicContact CE1-CD2 4.06Å; F281-W316 AromaticContact CE1-CE3 3.83Å; F281-W316 HydrophobicContact CE1-CE3 3.83Å; F281-W316 HydrophobicContact CE1-CH2 4.05Å; F281-W316 HydrophobicContact CE1-CZ2 4.2Å; F281-W316 AromaticContact CE1-CZ3 3.82Å; F281-W316 HydrophobicContact CE1-CZ3 3.82Å; F281-W316 HydrophobicContact CE2-CD2 4.48Å; F281-W316 HydrophobicContact CZ-CB 4.45Å; F281-W316 AromaticContact CZ-CD2 3.45Å; F281-W316 HydrophobicContact CZ-CD2 3.45Å; F281-W316 VanDerWaalsContact CZ-CD2 3.45Å; F281-W316 AromaticContact CZ-CE2 3.78Å; F281-W316 AromaticContact CZ-CE3 3.55Å; F281-W316 HydrophobicContact CZ-CE3 3.55Å; F281-W316 AromaticContact CZ-CG 3.85Å; F281-W316 HydrophobicContact CZ-CG 3.85Å; F281-W316 HydrophobicContact CZ-CH2 4.4Å; F281-W316 HydrophobicContact CZ-CZ2 4.25Å; F281-W316 HydrophobicContact CZ-CZ3 4.05Å; L303-W316 HydrophobicContact CD2-CH2 3.46Å; L303-W316 VanDerWaalsContact CD2-CH2 3.46Å; L303-W316 HydrophobicContact CD2-CZ2 4.04Å; L303-W316 HydrophobicContact CD2-CZ3 4.47Å; F304-W316 HydrophobicContact CE2-CH2 4.45Å; F304-W316 HydrophobicContact CE2-CZ3 4.42Å; F304-W316 HydrophobicContact CZ-CZ3 4.14Å; T309-W316 HydrophobicContact CG2-CZ2 4.07Å; W316-F318 PolarHBondContact O-N 2.72Å; W316-T319 WeakPolarHBondContact O-CB 3.42Å; W316-T319 WeakPolarHBondContact O-CG2 3.14Å; W316-T319 PolarHBondContact O-N 2.69Å; W316-T319 PolarHBondContact O-OG1 2.62Å; W316-A322 HydrophobicContact CE3-CB 4.16Å; W316-A322 HydrophobicContact CZ3-CB 4.18Å; W316-A322 WeakPolarHBondContact O-CB 3.25Å
317L83.2Confident82.2Confident14 Ų1469.6 Ų69.67%0.07334%0.341CS..G310 helixtrans-63.4-25.3-179.1-168.770000112.7F304 F310 N313 G315 T319F304-L317 HydrophobicContact CD1-CD1 3.55Å; F304-L317 HydrophobicContact CE1-CD1 3.53Å; F304-L317 HydrophobicContact CG-CD1 4.19Å; F304-L317 HydrophobicContact CZ-CD1 4.16Å; F310-L317 HydrophobicContact CD2-CD2 3.92Å; N313-L317 HydrophobicContact CB-CB 4.46Å; N313-L317 WeakPolarHBondContact ND2-CB 3.25Å; G315-L317 PolarHBondContact O-N 3.07Å; G315-L317 VanDerWaalsContact O-N 3.13Å; L317-T319 VanDerWaalsContact C-N 3.33Å
318F84.3Confident83.2Confident135 Ų13563.9 Ų63.959%0.59232%0.319SS*.G310 helixtrans-95.813.6-177-52.3-69.6000113F310 G315 W316F310-F318 HydrophobicContact CE2-CE1 4.23Å; F310-F318 HydrophobicContact CE2-CZ 4.29Å; G315-F318 PolarHBondContact O-N 3.06Å; G315-F318 VanDerWaalsContact O-N 3.15Å; W316-F318 PolarHBondContact O-N 2.72Å
319T88Confident84.1Confident51 Ų5160.8 Ų60.831%0.31330%0.298SS..SBendtrans-87.1148.7177.261.50000110.7L220 W316 L317 A321 A322 D323L220-T319 VanDerWaalsContact CD2-OG1 3.27Å; L220-T319 WeakPolarHBondContact CD2-OG1 3.45Å; W316-T319 WeakPolarHBondContact O-CB 3.42Å; W316-T319 WeakPolarHBondContact O-CG2 3.14Å; W316-T319 PolarHBondContact O-N 2.69Å; W316-T319 PolarHBondContact O-OG1 2.62Å; L317-T319 VanDerWaalsContact C-N 3.33Å; T319-A321 PolarHBondContact O-N 3.29Å; T319-A321 VanDerWaalsContact O-N 3.14Å; T319-A322 WeakPolarHBondContact O-CB 3.33Å; T319-A322 PolarHBondContact O-N 3.45Å; T319-A322 PolarHBondContact OG1-N 2.83Å; T319-D323 PolarHBondContact O-N 2.98Å
320D88.9Confident85Confident120 Ų12062.2 Ų62.264%0.64231%0.308SS*.Hα-helixtrans-56.4-31.9175.6-68.4-14.9000112.3D323 K324D320-D323 PolarHBondContact O-N 3.14Å; D320-K324 WeakPolarHBondContact O-CB 3.23Å; D320-K324 VanDerWaalsContact O-CG 3.25Å; D320-K324 WeakPolarHBondContact O-CG 3.45Å; D320-K324 PolarHBondContact O-N 2.67Å
321A90.9Very high85.8Confident4 Ų460.4 Ų60.43%0.03331%0.311CS..Hα-helixtrans-64.3-40.7175.500000112E219 L220 T319 L325E219-A321 HydrophobicContact CG-CB 4.38Å; L220-A321 HydrophobicContact CD2-CB 4.07Å; L220-A321 HydrophobicContact CG-CB 4.18Å; T319-A321 PolarHBondContact O-N 3.29Å; T319-A321 VanDerWaalsContact O-N 3.14Å; A321-L325 VanDerWaalsContact O-CB 3.23Å; A321-L325 WeakPolarHBondContact O-CB 3.4Å; A321-L325 PolarHBondContact O-N 3.02Å
322A89.4Confident86.3Confident0 Ų053 Ų530%028%0.276CS..Hα-helixtrans-66.5-41.7176.600000111.9L220 F304 W316 T319 L325 F326L220-A322 HydrophobicContact CD2-CB 4.36Å; F304-A322 HydrophobicContact CE1-CB 4.3Å; F304-A322 HydrophobicContact CZ-CB 4.15Å; F304-A322 WeakPolarHBondContact CZ-O 3.27Å; W316-A322 HydrophobicContact CE3-CB 4.16Å; W316-A322 HydrophobicContact CZ3-CB 4.18Å; W316-A322 WeakPolarHBondContact O-CB 3.25Å; T319-A322 WeakPolarHBondContact O-CB 3.33Å; T319-A322 PolarHBondContact O-N 3.45Å; T319-A322 PolarHBondContact OG1-N 2.83Å; A322-L325 WeakPolarHBondContact O-CB 3.49Å; A322-L325 PolarHBondContact O-N 3.46Å; A322-F326 PolarHBondContact O-N 3.12Å
323D90.1Very high86.7Confident81 Ų8150.1 Ų50.143%0.43327%0.265SS..Hα-helixtrans-64.4-43.3176.8-82.9-12.8000112.2T319 D320 F326 K327T319-D323 PolarHBondContact O-N 2.98Å; D320-D323 PolarHBondContact O-N 3.14Å; D323-F326 PolarHBondContact O-N 2.99Å; D323-K327 WeakPolarHBondContact O-CG 3.47Å; D323-K327 PolarHBondContact O-N 3.2Å; D323-K327 VanDerWaalsContact O-N 3.14Å
324K92.6Very high87Confident107 Ų10756.1 Ų56.147%0.46530%0.297SS..Hα-helixtrans-63.6-43.4174.2-72.3171.5-173.3171.20110.9F216 D320 F326 K327 T328F216-K324 HydrophobicContact CD1-CB 4.31Å; F216-K324 HydrophobicContact CD2-CB 4.18Å; F216-K324 HydrophobicContact CE1-CB 3.92Å; F216-K324 HydrophobicContact CE1-CD 3.76Å; F216-K324 HydrophobicContact CE1-CG 4.48Å; F216-K324 HydrophobicContact CE2-CB 3.78Å; F216-K324 HydrophobicContact CG-CB 4.45Å; F216-K324 HydrophobicContact CZ-CB 3.65Å; F216-K324 HydrophobicContact CZ-CD 3.96Å; F216-K324 HydrophobicContact CZ-CG 4.33Å; D320-K324 WeakPolarHBondContact O-CB 3.23Å; D320-K324 VanDerWaalsContact O-CG 3.25Å; D320-K324 WeakPolarHBondContact O-CG 3.45Å; D320-K324 PolarHBondContact O-N 2.67Å; K324-F326 VanDerWaalsContact C-N 3.34Å; K324-F326 PolarHBondContact O-N 2.96Å; K324-K327 PolarHBondContact O-N 2.9Å; K324-T328 WeakPolarHBondContact O-CB 3.46Å; K324-T328 PolarHBondContact O-N 3.09Å; K324-T328 PolarHBondContact O-OG1 3.11Å
325L92.4Very high87.2Confident2 Ų258.6 Ų58.61%0.0131%0.307CS..Hα-helixtrans-57.6-46.3176.9179.9147.8000111.5F216 L217 L220 V300 F304 A321 A322 T328 A329F216-L325 HydrophobicContact CB-CB 4.09Å; F216-L325 HydrophobicContact CB-CD1 4.24Å; F216-L325 HydrophobicContact CD2-CB 4.35Å; L217-L325 HydrophobicContact CD2-CD1 3.49Å; L217-L325 VanDerWaalsContact CD2-CD1 3.49Å; L217-L325 HydrophobicContact CG-CD1 3.65Å; L220-L325 HydrophobicContact CD1-CD1 4.1Å; V300-L325 HydrophobicContact CG1-CD2 3.63Å; V300-L325 HydrophobicContact CG2-CD2 4.17Å; F304-L325 HydrophobicContact CE2-CD2 3.64Å; F304-L325 HydrophobicContact CZ-CD2 3.92Å; A321-L325 VanDerWaalsContact O-CB 3.23Å; A321-L325 WeakPolarHBondContact O-CB 3.4Å; A321-L325 PolarHBondContact O-N 3.02Å; A322-L325 WeakPolarHBondContact O-CB 3.49Å; A322-L325 PolarHBondContact O-N 3.46Å; L325-T328 PolarHBondContact O-N 2.89Å; L325-A329 WeakPolarHBondContact O-CB 3.43Å; L325-A329 PolarHBondContact O-N 3.32Å
326F90.6Very high87.2Confident74 Ų7461 Ų6133%0.32531%0.312SS..Hα-helixtrans-64-43.9-179.9-176.7-98.2000112.7V300 K301 F304 A322 D323 K324 S330V300-F326 HydrophobicContact CG1-CD2 4.21Å; K301-F326 HydrophobicContact CG-CE2 4.22Å; F304-F326 HydrophobicContact CB-CD2 3.81Å; F304-F326 HydrophobicContact CB-CE2 3.87Å; F304-F326 HydrophobicContact CD1-CB 4.13Å; F304-F326 AromaticContact CD1-CD2 3.76Å; F304-F326 HydrophobicContact CD1-CD2 3.76Å; F304-F326 HydrophobicContact CD1-CG 4.15Å; F304-F326 AromaticContact CD2-CD2 3.99Å; F304-F326 HydrophobicContact CD2-CD2 3.99Å; F304-F326 HydrophobicContact CE1-CB 3.84Å; F304-F326 HydrophobicContact CE1-CD2 4.31Å; F304-F326 HydrophobicContact CE1-CG 4.38Å; F304-F326 AromaticContact CG-CD2 3.58Å; F304-F326 HydrophobicContact CG-CD2 3.58Å; F304-F326 HydrophobicContact CG-CE2 4.17Å; F304-F326 HydrophobicContact CG-CG 4.4Å; F304-F326 HydrophobicContact CZ-CB 4.06Å; A322-F326 PolarHBondContact O-N 3.12Å; D323-F326 PolarHBondContact O-N 2.99Å; K324-F326 VanDerWaalsContact C-N 3.34Å; K324-F326 PolarHBondContact O-N 2.96Å; F326-S330 WeakPolarHBondContact O-CB 3.31Å; F326-S330 PolarHBondContact O-N 2.9Å; F326-S330 VanDerWaalsContact O-N 3.1Å; F326-S330 PolarHBondContact O-OG 3.14Å
327K91.2Very high87Confident146 Ų14660.7 Ų60.764%0.63531%0.311SS*.Hα-helixtrans-62.8-48.7178.2-71.6171.5-175.6171.10111.2D323 K324 S330 S331D323-K327 WeakPolarHBondContact O-CG 3.47Å; D323-K327 PolarHBondContact O-N 3.2Å; D323-K327 VanDerWaalsContact O-N 3.14Å; K324-K327 PolarHBondContact O-N 2.9Å; K327-S330 PolarHBondContact O-N 3.11Å; K327-S331 PolarHBondContact O-N 3.33Å
328T91.6Very high86.9Confident33 Ų3362.1 Ų62.120%0.20232%0.319CS..Hα-helixtrans-69.2-40.5-177.4-33.50000111.4V213 K324 L325 S330 S331 M332V213-T328 HydrophobicContact CG2-CG2 4.11Å; K324-T328 WeakPolarHBondContact O-CB 3.46Å; K324-T328 PolarHBondContact O-N 3.09Å; K324-T328 PolarHBondContact O-OG1 3.11Å; L325-T328 PolarHBondContact O-N 2.89Å; T328-S330 VanDerWaalsContact C-N 3.25Å; T328-S330 PolarHBondContact O-N 2.92Å; T328-S331 PolarHBondContact O-N 2.93Å; T328-S331 PolarHBondContact O-OG 2.87Å; T328-M332 VanDerWaalsContact O-CG 3.24Å; T328-M332 WeakPolarHBondContact O-CG 3.4Å; T328-M332 PolarHBondContact O-N 3.16Å
329A89.3Confident87.1Confident0 Ų055.7 Ų55.70%029%0.291CS..Hα-helixtrans-63.5-31.8175.600000112.6F296 S297 V300 L325 M332F296-A329 HydrophobicContact CD1-CB 4.32Å; F296-A329 HydrophobicContact CE1-CB 3.77Å; S297-A329 VanDerWaalsContact CB-O 3.23Å; S297-A329 WeakPolarHBondContact CB-O 3.48Å; S297-A329 PolarHBondContact OG-O 3.07Å; V300-A329 HydrophobicContact CB-CB 4.11Å; V300-A329 HydrophobicContact CG1-CB 3.91Å; V300-A329 HydrophobicContact CG2-CB 4.06Å; L325-A329 WeakPolarHBondContact O-CB 3.43Å; L325-A329 PolarHBondContact O-N 3.32Å; A329-M332 PolarHBondContact O-N 3.29Å
330S88.3Confident87Confident35 Ų3553.7 Ų53.725%0.24528%0.277CS..Hα-helixtrans-71-32.8176.9-62.60000112.5F326 K327 T328 M332F326-S330 WeakPolarHBondContact O-CB 3.31Å; F326-S330 PolarHBondContact O-N 2.9Å; F326-S330 VanDerWaalsContact O-N 3.1Å; F326-S330 PolarHBondContact O-OG 3.14Å; K327-S330 PolarHBondContact O-N 3.11Å; T328-S330 VanDerWaalsContact C-N 3.25Å; T328-S330 PolarHBondContact O-N 2.92Å; S330-M332 VanDerWaalsContact C-N 3.27Å; S330-M332 PolarHBondContact O-N 2.83Å
331S87.8Confident86.8Confident86 Ų8652.2 Ų52.260%0.60127%0.269SS*.Hα-helixtrans-73.4-18.3174.248.20000113.8K327 T328 E333K327-S331 PolarHBondContact O-N 3.33Å; T328-S331 PolarHBondContact O-N 2.93Å; T328-S331 PolarHBondContact O-OG 2.87Å; S331-E333 PolarHBondContact O-N 3.38Å
332M83.2Confident86.7Confident0 Ų052.9 Ų52.90%028%0.275CS..G310 helixtrans-86.75.3-175.2-68.9170.173.300114.6A209 F210 V213 L288 G293 T328 A329 S330 N334 E335A209-M332 HydrophobicContact CB-CE 4.2Å; A209-M332 HydrophobicContact CB-CG 3.8Å; A209-M332 HydrophobicContact CB-SD 3.92Å; F210-M332 HydrophobicContact CB-CE 4.22Å; F210-M332 HydrophobicContact CD1-CE 4.12Å; F210-M332 HydrophobicContact CD2-CE 3.07Å; F210-M332 HydrophobicContact CE1-CE 4.26Å; F210-M332 HydrophobicContact CE2-CE 3.26Å; F210-M332 HydrophobicContact CG-CE 3.55Å; F210-M332 HydrophobicContact CZ-CE 3.87Å; V213-M332 HydrophobicContact CB-SD 4.44Å; V213-M332 HydrophobicContact CG2-SD 3.53Å; V213-M332 VanDerWaalsContact CG2-SD 3.53Å; L288-M332 HydrophobicContact CD1-CE 4.32Å; G293-M332 CarbonylContact C-O 3.6Å; G293-M332 WeakPolarHBondContact CA-O 3.35Å; T328-M332 VanDerWaalsContact O-CG 3.24Å; T328-M332 WeakPolarHBondContact O-CG 3.4Å; T328-M332 PolarHBondContact O-N 3.16Å; A329-M332 PolarHBondContact O-N 3.29Å; S330-M332 VanDerWaalsContact C-N 3.27Å; S330-M332 PolarHBondContact O-N 2.83Å; M332-N334 PolarHBondContact O-N 3.21Å; M332-E335 PolarHBondContact O-N 2.77Å
333E82.5Confident86.7Confident79 Ų7952.9 Ų52.937%0.36928%0.275SS..G310 helixtrans-57.1-28.4-174.7-77.6-169.5141.500114.4R294 S297 K301 S331R294-E333 WeakPolarHBondContact CB-O 3.27Å; R294-E333 PolarHBondContact N-O 2.97Å; S297-E333 VanDerWaalsContact OG-CG 3.3Å; S297-E333 WeakPolarHBondContact OG-CG 3.42Å; K301-E333 WeakPolarHBondContact CE-OE1 3.47Å; K301-E333 IonicContact NZ-OE1 2.63Å; K301-E333 PolarHBondContact NZ-OE1 3.23Å; K301-E333 IonicContact NZ-OE2 2.68Å; K301-E333 PolarHBondContact NZ-OE2 3.09Å; S331-E333 PolarHBondContact O-N 3.38Å
334N82.7Confident86.6Confident157 Ų15750.5 Ų50.584%0.8426%0.264SS*.G310 helixtrans-102.6-1.6-179-61.5-28.2000113.4M332M332-N334 PolarHBondContact O-N 3.21Å
335E80.2Confident86.3Confident69 Ų6949.8 Ų49.832%0.32227%0.269SS..PPolyproline II helixtrans-79.5129.3178.3-71.3-162.4-179.600110.7T207 F210 G293 M332T207-E335 PolarHBondContact OG1-OE2 3.22Å; T207-E335 VanDerWaalsContact OG1-OE2 3.05Å; F210-E335 HydrophobicContact CE2-CB 4.03Å; G293-E335 WeakPolarHBondContact CA-O 3.26Å; G293-E335 PolarHBondContact N-O 3.2Å; G293-E335 VanDerWaalsContact N-O 3.1Å; M332-E335 PolarHBondContact O-N 2.77Å
336L79.3Confident86.2Confident81 Ų8149.7 Ų49.742%0.42427%0.268SS..PPolyproline II helixtrans-88.6145.6170.3-62.9175.6000109.5N338 W340L336-N338 PolarHBondContact O-N 3.3Å; L336-W340 HydrophobicContact CB-CE3 4.42Å; L336-W340 HydrophobicContact CD2-CE3 3.8Å; L336-W340 HydrophobicContact CD2-CZ3 3.61Å
337P81.1Confident86Confident1 Ų146.2 Ų46.21%0.00625%0.253CS..PPolyproline II helixtrans-66.5133.8175.4-17.532.1000110.5F210 Q291 K339 W340F210-P337 HydrophobicContact CZ-CG 4.49Å; Q291-P337 WeakPolarHBondContact O-CG 3.34Å; P337-K339 PolarHBondContact O-N 2.73Å; P337-W340 HydrophobicContact CB-CG 4.43Å; P337-W340 HydrophobicContact CG-CD2 4.17Å; P337-W340 HydrophobicContact CG-CG 4.39Å; P337-W340 HydrophobicContact CG-CZ2 4.37Å; P337-W340 WeakPolarHBondContact O-CB 3.44Å; P337-W340 PolarHBondContact O-N 3.48Å
338N80.3Confident85.6Confident44 Ų4439.9 Ų39.924%0.23523%0.23CC..Hα-helixtrans-60-21.7178.8-65.4-3.1000113.3V204 Q205 T207 L336 W340 D341 A342V204-N338 HydrophobicContact CG1-CB 3.63Å; Q205-N338 PolarHBondContact O-ND2 3.24Å; T207-N338 WeakPolarHBondContact CG2-ND2 3.33Å; T207-N338 WeakPolarHBondContact CG2-OD1 3.37Å; T207-N338 PolarHBondContact N-ND2 2.9Å; L336-N338 PolarHBondContact O-N 3.3Å; N338-W340 PolarHBondContact O-N 2.9Å; N338-D341 PolarHBondContact O-N 2.87Å; N338-A342 PolarHBondContact O-N 3.39Å
339K87.7Confident85.3Confident0 Ų042.1 Ų42.10%024%0.238CC..Hα-helixtrans-61.5-28.8170.9-84.9-175.4178.3-176.20113V204 P337 L343 Y438 L467 Y469 E474V204-K339 HydrophobicContact CB-CG 4.39Å; V204-K339 HydrophobicContact CG1-CG 4.27Å; V204-K339 HydrophobicContact CG2-CG 4.19Å; P337-K339 PolarHBondContact O-N 2.73Å; K339-L343 WeakPolarHBondContact O-CB 3.36Å; K339-L343 PolarHBondContact O-N 3.33Å; K339-Y438 HydrophobicContact CB-CE2 3.65Å; K339-Y438 HydrophobicContact CD-CE1 4.17Å; K339-Y438 HydrophobicContact CD-CE2 4.03Å; K339-Y438 HydrophobicContact CG-CE2 4.39Å; K339-Y438 PolarHBondContact NZ-O 2.84Å; K339-L467 HydrophobicContact CB-CD2 4.48Å; K339-L467 HydrophobicContact CG-CD2 4.31Å; K339-Y469 HydrophobicContact CD-CD2 4.09Å; K339-Y469 HydrophobicContact CD-CE2 3.51Å; K339-Y469 HydrophobicContact CG-CE1 3.97Å; K339-Y469 HydrophobicContact CG-CE2 3.86Å; K339-E474 VanDerWaalsContact NZ-CD 3.26Å; K339-E474 IonicContact NZ-OE1 3.7Å; K339-E474 PolarHBondContact NZ-OE1 2.99Å; K339-E474 IonicContact NZ-OE2 3.16Å; K339-E474 PolarHBondContact NZ-OE2 3.18Å
340W86.9Confident85Confident9 Ų942.1 Ų42.13%0.03424%0.238CC..Hα-helixtrans-72.7-35178-66.17.6000111.5D292 L336 P337 N338 L343 S344 Q375 L376 H379 Y438D292-W340 HydrophobicContact CB-CH2 3.53Å; D292-W340 HydrophobicContact CB-CZ2 4.04Å; D292-W340 HydrophobicContact CB-CZ3 4.07Å; L336-W340 HydrophobicContact CB-CE3 4.42Å; L336-W340 HydrophobicContact CD2-CE3 3.8Å; L336-W340 HydrophobicContact CD2-CZ3 3.61Å; P337-W340 HydrophobicContact CB-CG 4.43Å; P337-W340 HydrophobicContact CG-CD2 4.17Å; P337-W340 HydrophobicContact CG-CG 4.39Å; P337-W340 HydrophobicContact CG-CZ2 4.37Å; P337-W340 WeakPolarHBondContact O-CB 3.44Å; P337-W340 PolarHBondContact O-N 3.48Å; N338-W340 PolarHBondContact O-N 2.9Å; W340-L343 PolarHBondContact O-N 3.5Å; W340-S344 WeakPolarHBondContact O-CB 3.38Å; W340-S344 PolarHBondContact O-N 3.23Å; W340-S344 PolarHBondContact O-OG 3.16Å; W340-Q375 HydrophobicContact CH2-CB 4.26Å; W340-Q375 HydrophobicContact CZ2-CB 4.14Å; W340-L376 HydrophobicContact CG-CD2 4.33Å; W340-H379 HydrophobicContact CE3-CB 4.31Å; W340-H379 AromaticContact CE3-CD2 3.34Å; W340-H379 AromaticContact CE3-CG 3.76Å; W340-H379 AromaticContact CE3-NE2 3.78Å; W340-H379 HydrophobicContact CZ3-CB 4.23Å; W340-H379 AromaticContact CZ3-CD2 3.64Å; W340-Y438 PolarHBondContact NE1-OH 3.13Å
341D85.4Confident84.7Confident89 Ų8941 Ų4148%0.47623%0.228SC..Hα-helixtrans-66.7-48172.3-63.3-33.2000110.5N338 L343 S344 V345N338-D341 PolarHBondContact O-N 2.87Å; D341-L343 VanDerWaalsContact C-N 3.3Å; D341-L343 PolarHBondContact O-N 3.47Å; D341-S344 WeakPolarHBondContact O-CB 3.23Å; D341-S344 PolarHBondContact O-N 3.21Å; D341-S344 VanDerWaalsContact O-N 3.09Å; D341-V345 WeakPolarHBondContact O-CG2 3.17Å; D341-V345 PolarHBondContact O-N 3.48Å
342A88.2Confident84.1Confident18 Ų1840.2 Ų40.215%0.14922%0.217CC..Hα-helixtrans-57.2-44.1175.100000111.7V204 N338 S344 V345 I346 L467V204-A342 HydrophobicContact CG2-CB 3.84Å; N338-A342 PolarHBondContact O-N 3.39Å; A342-S344 VanDerWaalsContact C-N 3.33Å; A342-S344 PolarHBondContact O-N 3.37Å; A342-V345 WeakPolarHBondContact O-CB 3.36Å; A342-V345 PolarHBondContact O-N 3.35Å; A342-I346 VanDerWaalsContact O-CG1 3.29Å; A342-I346 WeakPolarHBondContact O-CG1 3.12Å; A342-I346 PolarHBondContact O-N 3.32Å; A342-L467 HydrophobicContact CB-CD2 4.11Å
343L89.8Confident83.3Confident0 Ų041.7 Ų41.70%023%0.233CC..Hα-helixtrans-63.5-37.9176.3-175.3139.5000112.1K339 W340 D341 V345 I346 L347 I365 L376 I380 Y438K339-L343 WeakPolarHBondContact O-CB 3.36Å; K339-L343 PolarHBondContact O-N 3.33Å; W340-L343 PolarHBondContact O-N 3.5Å; D341-L343 VanDerWaalsContact C-N 3.3Å; D341-L343 PolarHBondContact O-N 3.47Å; L343-V345 VanDerWaalsContact C-N 3.34Å; L343-I346 PolarHBondContact O-N 3.01Å; L343-L347 HydrophobicContact CD2-CD1 3.56Å; L343-L347 HydrophobicContact CD2-CG 4.25Å; L343-L347 HydrophobicContact CG-CD1 4.38Å; L343-L347 WeakPolarHBondContact O-CB 3.48Å; L343-L347 VanDerWaalsContact O-CG 3.26Å; L343-L347 WeakPolarHBondContact O-CG 3.45Å; L343-L347 PolarHBondContact O-N 3.48Å; L343-I365 HydrophobicContact CD1-CD1 4.23Å; L343-I365 HydrophobicContact CD1-CG2 4.22Å; L343-L376 HydrophobicContact CD1-CD2 4.3Å; L343-I380 HydrophobicContact CD2-CD1 4.06Å; L343-I380 HydrophobicContact CD2-CG1 4.1Å; L343-Y438 HydrophobicContact CD1-CD2 3.89Å; L343-Y438 HydrophobicContact CD1-CE2 4.28Å
344S86.9Confident81.8Confident30 Ų3047.1 Ų47.121%0.2126%0.258CS..Hα-helixtrans-66.7-36.1176.2-60.30000112.3W340 D341 A342 G348 W384W340-S344 WeakPolarHBondContact O-CB 3.38Å; W340-S344 PolarHBondContact O-N 3.23Å; W340-S344 PolarHBondContact O-OG 3.16Å; D341-S344 WeakPolarHBondContact O-CB 3.23Å; D341-S344 PolarHBondContact O-N 3.21Å; D341-S344 VanDerWaalsContact O-N 3.09Å; A342-S344 VanDerWaalsContact C-N 3.33Å; A342-S344 PolarHBondContact O-N 3.37Å; S344-G348 PolarHBondContact O-N 3.1Å; S344-W384 PolarHBondContact O-NE1 3.44Å
345V87.3Confident80.3Confident93 Ų9340.2 Ų40.256%0.56422%0.222SC*.Hα-helixtrans-65.3-49.1173.1173.60000110.5D341 A342 L343 L347 G348 E349D341-V345 WeakPolarHBondContact O-CG2 3.17Å; D341-V345 PolarHBondContact O-N 3.48Å; A342-V345 WeakPolarHBondContact O-CB 3.36Å; A342-V345 PolarHBondContact O-N 3.35Å; L343-V345 VanDerWaalsContact C-N 3.34Å; V345-L347 PolarHBondContact O-N 3.45Å; V345-G348 CarbonylContact O-C 3.47Å; V345-G348 WeakPolarHBondContact O-CA 3.47Å; V345-G348 PolarHBondContact O-N 2.87Å; V345-G348 VanDerWaalsContact O-N 3.09Å; V345-E349 PolarHBondContact O-N 2.88Å
346I88.8Confident79Confident0 Ų045.1 Ų45.10%024%0.243CC..Hα-helixtrans-60.3-47.3178.9-66.8162.6000110.9F202 A342 L343 G348 E349 I350 I436 F465 L467F202-I346 HydrophobicContact CD1-CD1 4.12Å; F202-I346 HydrophobicContact CD1-CG1 4.22Å; F202-I346 HydrophobicContact CD2-CD1 4.03Å; F202-I346 HydrophobicContact CD2-CG1 4.36Å; F202-I346 HydrophobicContact CE1-CD1 4.32Å; F202-I346 HydrophobicContact CE1-CG1 3.91Å; F202-I346 HydrophobicContact CE2-CD1 4.26Å; F202-I346 HydrophobicContact CE2-CG1 4.09Å; F202-I346 HydrophobicContact CG-CD1 3.97Å; F202-I346 HydrophobicContact CG-CG1 4.43Å; F202-I346 HydrophobicContact CZ-CD1 4.38Å; F202-I346 HydrophobicContact CZ-CG1 3.83Å; A342-I346 VanDerWaalsContact O-CG1 3.29Å; A342-I346 WeakPolarHBondContact O-CG1 3.12Å; A342-I346 PolarHBondContact O-N 3.32Å; L343-I346 PolarHBondContact O-N 3.01Å; I346-G348 VanDerWaalsContact C-N 3.28Å; I346-G348 PolarHBondContact O-N 2.96Å; I346-E349 WeakPolarHBondContact O-CB 3.21Å; I346-E349 PolarHBondContact O-N 2.61Å; I346-E349 VanDerWaalsContact O-N 3.15Å; I346-I350 HydrophobicContact CG2-CD1 3.75Å; I346-I350 HydrophobicContact CG2-CG1 4.41Å; I346-I350 VanDerWaalsContact O-CG1 3.3Å; I346-I350 WeakPolarHBondContact O-CG1 3.27Å; I346-I350 PolarHBondContact O-N 3.28Å; I346-I436 HydrophobicContact CG2-CD1 3.65Å; I346-I436 HydrophobicContact CG2-CG1 4.21Å; I346-F465 HydrophobicContact CD1-CB 4.28Å; I346-F465 HydrophobicContact CD1-CD1 4.39Å; I346-F465 HydrophobicContact CG1-CD1 4.15Å; I346-F465 HydrophobicContact CG2-CB 4.23Å; I346-F465 HydrophobicContact CG2-CD1 3.66Å; I346-F465 HydrophobicContact CG2-CD2 3.84Å; I346-F465 HydrophobicContact CG2-CE1 3.89Å; I346-F465 HydrophobicContact CG2-CE2 4.07Å; I346-F465 HydrophobicContact CG2-CG 3.63Å; I346-F465 HydrophobicContact CG2-CZ 4.09Å; I346-L467 HydrophobicContact CD1-CD1 3.66Å; I346-L467 HydrophobicContact CD1-CD2 4.33Å; I346-L467 HydrophobicContact CD1-CG 4.16Å
347L87.5Confident77.7Confident0 Ų050 Ų500%026%0.263CS..Hα-helixtrans-61.6-39.1175.3-69.2175.7000111.4L343 V345 E349 I350 Y351 I380 W384 V412 I436L343-L347 HydrophobicContact CD2-CD1 3.56Å; L343-L347 HydrophobicContact CD2-CG 4.25Å; L343-L347 HydrophobicContact CG-CD1 4.38Å; L343-L347 WeakPolarHBondContact O-CB 3.48Å; L343-L347 VanDerWaalsContact O-CG 3.26Å; L343-L347 WeakPolarHBondContact O-CG 3.45Å; L343-L347 PolarHBondContact O-N 3.48Å; V345-L347 PolarHBondContact O-N 3.45Å; L347-E349 VanDerWaalsContact C-N 3.32Å; L347-E349 PolarHBondContact O-N 3.37Å; L347-I350 PolarHBondContact O-N 3.33Å; L347-Y351 HydrophobicContact CB-CD2 4.47Å; L347-Y351 HydrophobicContact CD2-CD2 4.37Å; L347-Y351 HydrophobicContact CD2-CE2 3.88Å; L347-Y351 VanDerWaalsContact O-CD2 3.32Å; L347-Y351 WeakPolarHBondContact O-CD2 3.43Å; L347-Y351 PolarHBondContact O-N 3.4Å; L347-I380 HydrophobicContact CD1-CD1 4.12Å; L347-I380 HydrophobicContact CD1-CG1 4.06Å; L347-I380 HydrophobicContact CD1-CG2 4.35Å; L347-W384 HydrophobicContact CB-CD2 4.47Å; L347-W384 HydrophobicContact CB-CH2 4.44Å; L347-W384 HydrophobicContact CB-CZ2 3.76Å; L347-V412 HydrophobicContact CD2-CG2 4.28Å; L347-I436 HydrophobicContact CD2-CD1 4.21Å
348G83.5Confident76.5Confident14 Ų1452.6 Ų52.614%0.14428%0.277CS..Hα-helixtrans-59.1-42.6173.700000112.4S344 V345 I346 N352S344-G348 PolarHBondContact O-N 3.1Å; V345-G348 CarbonylContact O-C 3.47Å; V345-G348 WeakPolarHBondContact O-CA 3.47Å; V345-G348 PolarHBondContact O-N 2.87Å; V345-G348 VanDerWaalsContact O-N 3.09Å; I346-G348 VanDerWaalsContact C-N 3.28Å; I346-G348 PolarHBondContact O-N 2.96Å; G348-N352 WeakPolarHBondContact O-CA 3.48Å; G348-N352 WeakPolarHBondContact O-CB 3.16Å; G348-N352 PolarHBondContact O-N 3.01Å; G348-N352 PolarHBondContact O-ND2 3.11Å; G348-N352 VanDerWaalsContact O-ND2 3.13Å
349E85Confident75.6Confident79 Ų7956.4 Ų56.437%0.36930%0.297SS..Hα-helixtrans-67-42.5176.7-167.7-168.2135.600112.2V345 I346 L347 G353 R463V345-E349 PolarHBondContact O-N 2.88Å; I346-E349 WeakPolarHBondContact O-CB 3.21Å; I346-E349 PolarHBondContact O-N 2.61Å; I346-E349 VanDerWaalsContact O-N 3.15Å; L347-E349 VanDerWaalsContact C-N 3.32Å; L347-E349 PolarHBondContact O-N 3.37Å; E349-G353 WeakPolarHBondContact O-CA 3.28Å; E349-G353 PolarHBondContact O-N 3.49Å; E349-G353 VanDerWaalsContact O-N 3.14Å; E349-R463 IonicContact OE1-NH1 3.02Å; E349-R463 PolarHBondContact OE1-NH1 3.15Å
350I83Confident74.8Confident0 Ų059.9 Ų59.90%032%0.32CS..Hα-helixtrans-64.9-51.1-179.1-65.9164.9000111.2I346 L347 A355 L361 T363 I436 F465I346-I350 HydrophobicContact CG2-CD1 3.75Å; I346-I350 HydrophobicContact CG2-CG1 4.41Å; I346-I350 VanDerWaalsContact O-CG1 3.3Å; I346-I350 WeakPolarHBondContact O-CG1 3.27Å; I346-I350 PolarHBondContact O-N 3.28Å; L347-I350 PolarHBondContact O-N 3.33Å; I350-A355 WeakPolarHBondContact O-CB 3.37Å; I350-L361 HydrophobicContact CG2-CD2 4.12Å; I350-T363 HydrophobicContact CD1-CG2 4.18Å; I350-I436 HydrophobicContact CD1-CD1 4.22Å; I350-F465 HydrophobicContact CD1-CD2 4.18Å; I350-F465 HydrophobicContact CD1-CE2 3.63Å; I350-F465 HydrophobicContact CD1-CZ 4.19Å; I350-F465 HydrophobicContact CG1-CE2 3.86Å; I350-F465 HydrophobicContact CG1-CZ 4Å
351Y80.5Confident74.5Confident12 Ų1260 Ų605%0.04732%0.321CS..Hα-helixtrans-90.4-23.2-171-69.8-74.8000114.2L347 L361 T363 W384 P391 L394 A411 V412L347-Y351 HydrophobicContact CB-CD2 4.47Å; L347-Y351 HydrophobicContact CD2-CD2 4.37Å; L347-Y351 HydrophobicContact CD2-CE2 3.88Å; L347-Y351 VanDerWaalsContact O-CD2 3.32Å; L347-Y351 WeakPolarHBondContact O-CD2 3.43Å; L347-Y351 PolarHBondContact O-N 3.4Å; Y351-L361 HydrophobicContact CE1-CB 4.08Å; Y351-T363 PolarHBondContact OH-OG1 3.25Å; Y351-W384 AromaticContact CD2-CH2 3.65Å; Y351-W384 HydrophobicContact CD2-CH2 3.65Å; Y351-W384 HydrophobicContact CD2-CZ2 4.22Å; Y351-W384 HydrophobicContact CD2-CZ3 4.45Å; Y351-W384 AromaticContact CG-CH2 3.94Å; Y351-W384 HydrophobicContact CG-CH2 3.94Å; Y351-P391 HydrophobicContact CD1-CG 4.09Å; Y351-P391 HydrophobicContact CG-CG 4.29Å; Y351-L394 HydrophobicContact CD1-CD1 4.03Å; Y351-L394 HydrophobicContact CD2-CD1 4.41Å; Y351-L394 HydrophobicContact CE1-CD1 3.52Å; Y351-L394 HydrophobicContact CE2-CD1 3.96Å; Y351-L394 HydrophobicContact CG-CD1 4.45Å; Y351-L394 VanDerWaalsContact CZ-CD1 3.49Å; Y351-A411 PolarHBondContact OH-O 2.93Å; Y351-A411 VanDerWaalsContact OH-O 3.13Å; Y351-V412 HydrophobicContact CE2-CG2 3.96Å; Y351-V412 VanDerWaalsContact OH-CG2 3.24Å; Y351-V412 WeakPolarHBondContact OH-CG2 3.33Å
352N75.2Confident74.6Confident70 Ų7056 Ų5637%0.37430%0.299SS..Hα-helixtrans-96.2-14.3177.3-51.7-32.2000113.2G348 K389G348-N352 WeakPolarHBondContact O-CA 3.48Å; G348-N352 WeakPolarHBondContact O-CB 3.16Å; G348-N352 PolarHBondContact O-N 3.01Å; G348-N352 PolarHBondContact O-ND2 3.11Å; G348-N352 VanDerWaalsContact O-ND2 3.13Å; N352-K389 PolarHBondContact OD1-O 3.03Å
353G66.8Low74.7Confident31 Ų3155.1 Ų55.132%0.3229%0.292SS..SBendtrans-74.4-168.7177.700000114.1E349 A355E349-G353 WeakPolarHBondContact O-CA 3.28Å; E349-G353 PolarHBondContact O-N 3.49Å; E349-G353 VanDerWaalsContact O-N 3.14Å; G353-A355 PolarHBondContact O-N 3.49Å
354E51.1Low74.9Confident192 Ų19255.1 Ų55.190%0.89729%0.292SS*.G310 helixtrans-60.8-7.1-178.6-66.7-177.4162.200114.4K356E354-K356 PolarHBondContact O-N 3.24Å
355A52.1Low75.3Confident12 Ų1253.7 Ų53.710%0.09928%0.282CS..G310 helixtrans-67.2-2-178.100000114.8I350 G353 E357 L358 L361I350-A355 WeakPolarHBondContact O-CB 3.37Å; G353-A355 PolarHBondContact O-N 3.49Å; A355-E357 PolarHBondContact O-N 2.89Å; A355-L358 PolarHBondContact O-N 2.93Å; A355-L361 HydrophobicContact CB-CD1 4.05Å; A355-L361 HydrophobicContact CB-CD2 3.99Å; A355-L361 HydrophobicContact CB-CG 4.5Å; A355-L361 VanDerWaalsContact O-CD1 3.25Å; A355-L361 WeakPolarHBondContact O-CD1 3.22Å
356K51.7Low75.6Confident173 Ų17349.3 Ų49.375%0.75226%0.256SS*.G310 helixtrans-54.3-17.5172.1-74.8-175.1178.9177.30114.3E354E354-K356 PolarHBondContact O-N 3.24Å
357E52Low75.8Confident183 Ų18349.3 Ų49.386%0.85526%0.256SS*.G310 helixtrans-82.8-15176.7-64-168.6164.200114.2A355A355-E357 PolarHBondContact O-N 2.89Å
358L56.7Low75.8Confident56 Ų5650.1 Ų50.129%0.29326%0.26SS..SBendtrans-101.889.4-176.8-75.1153.4000110.4A355 P360 L361A355-L358 PolarHBondContact O-N 2.93Å; L358-P360 CarbonylContact O-C 3.25Å; L358-L361 VanDerWaalsContact O-CG 3.32Å; L358-L361 WeakPolarHBondContact O-CG 3.36Å; L358-L361 PolarHBondContact O-N 3.42Å
359D62.2Low75.9Confident124 Ų12451.4 Ų51.466%0.66326%0.264SS*.SBendtrans-103.8120.2173.3-134.6-5.6000108.8S409D359-S409 WeakPolarHBondContact OD1-CA 3.5Å; D359-S409 VanDerWaalsContact OD1-O 3.12Å
360P69.8Low76.1Confident73 Ų7352.5 Ų52.547%0.47427%0.272SS..SBendcis-93.6141.4735.4-33.2000115.1L358 F408 S409L358-P360 CarbonylContact O-C 3.25Å; P360-F408 HydrophobicContact CB-CD2 4.42Å; P360-F408 VanDerWaalsContact CB-O 3.23Å; P360-F408 WeakPolarHBondContact CB-O 3.49Å; P360-S409 CarbonylContact C-O 3.56Å; P360-S409 WeakPolarHBondContact CA-O 3.33Å; P360-S409 WeakPolarHBondContact CB-O 3.42Å
361L81.3Confident76.3Confident11 Ų1161.1 Ų61.16%0.05831%0.305CS..EExtended strand (participates in β ladder)trans-87.4107.6176-101.8150.6000111I350 Y351 A355 L358 S409 S410 A411 C433I350-L361 HydrophobicContact CG2-CD2 4.12Å; Y351-L361 HydrophobicContact CE1-CB 4.08Å; A355-L361 HydrophobicContact CB-CD1 4.05Å; A355-L361 HydrophobicContact CB-CD2 3.99Å; A355-L361 HydrophobicContact CB-CG 4.5Å; A355-L361 VanDerWaalsContact O-CD1 3.25Å; A355-L361 WeakPolarHBondContact O-CD1 3.22Å; L358-L361 VanDerWaalsContact O-CG 3.32Å; L358-L361 WeakPolarHBondContact O-CG 3.36Å; L358-L361 PolarHBondContact O-N 3.42Å; L361-S409 PolarHBondContact N-O 2.89Å; L361-S410 CarbonylContact O-C 3.58Å; L361-S410 VanDerWaalsContact O-CA 3.31Å; L361-S410 WeakPolarHBondContact O-CA 3.2Å; L361-A411 PolarHBondContact O-N 3.47Å; L361-C433 HydrophobicContact CD2-CB 4.39Å
362L87.7Confident76.7Confident4 Ų460.6 Ų60.62%0.02130%0.303CS..EExtended strand (participates in β ladder)trans-110.9123.6174.4179.869.8000111.4F408 A411 L430 P432 C433 S434L362-F408 HydrophobicContact CB-CE2 4.38Å; L362-F408 HydrophobicContact CD1-CE2 4.12Å; L362-F408 HydrophobicContact CD1-CZ 4.33Å; L362-A411 WeakPolarHBondContact CA-O 3.25Å; L362-A411 HydrophobicContact CD1-CB 3.79Å; L362-L430 HydrophobicContact CD2-CB 3.33Å; L362-L430 HydrophobicContact CD2-CD1 4.13Å; L362-L430 HydrophobicContact CD2-CG 4.34Å; L362-L430 WeakPolarHBondContact CD2-O 3.16Å; L362-P432 HydrophobicContact CB-CB 4.49Å; L362-P432 HydrophobicContact CD2-CB 4.06Å; L362-P432 HydrophobicContact CG-CB 4.1Å; L362-P432 CarbonylContact O-C 3.53Å; L362-P432 WeakPolarHBondContact O-CA 3.34Å; L362-P432 WeakPolarHBondContact O-CB 3.47Å; L362-C433 PolarHBondContact O-N 3.24Å; L362-S434 PolarHBondContact O-N 3.08Å
363T90.5Very high77.4Confident0 Ų057.4 Ų57.40%029%0.286CS..EExtended strand (participates in β ladder)trans-113.2132.5172.3-57.60000110.6I350 Y351 A411 V412 L413 S434 I436I350-T363 HydrophobicContact CD1-CG2 4.18Å; Y351-T363 PolarHBondContact OH-OG1 3.25Å; T363-A411 PolarHBondContact N-O 3.49Å; T363-V412 CarbonylContact O-C 3.58Å; T363-V412 WeakPolarHBondContact O-CA 3.4Å; T363-L413 PolarHBondContact O-N 3.29Å; T363-S434 CarbonylContact C-O 3.58Å; T363-S434 WeakPolarHBondContact CA-O 3.39Å; T363-I436 HydrophobicContact CG2-CD1 3.96Å; T363-I436 HydrophobicContact CG2-CG1 4.1Å
364V93.2Very high78.5Confident0 Ų057.9 Ų57.90%029%0.287CS..EExtended strand (participates in β ladder)trans-109.9125.2175.7-176.60000110.4F366 L413 Q415 P432 S434 A435 I436V364-F366 HydrophobicContact CB-CE2 4.2Å; V364-F366 HydrophobicContact CB-CZ 4.36Å; V364-F366 HydrophobicContact CG1-CD1 4.35Å; V364-F366 HydrophobicContact CG1-CD2 4.17Å; V364-F366 HydrophobicContact CG1-CE1 3.88Å; V364-F366 HydrophobicContact CG1-CE2 3.69Å; V364-F366 HydrophobicContact CG1-CG 4.49Å; V364-F366 HydrophobicContact CG1-CZ 3.53Å; V364-L413 CarbonylContact C-O 3.58Å; V364-L413 WeakPolarHBondContact CA-O 3.34Å; V364-L413 HydrophobicContact CG1-CD2 4.45Å; V364-L413 HydrophobicContact CG1-CG 4.46Å; V364-L413 HydrophobicContact CG2-CB 4.21Å; V364-L413 HydrophobicContact CG2-CD2 4.23Å; V364-Q415 HydrophobicContact CG1-CB 4.15Å; V364-P432 HydrophobicContact CG2-CB 3.68Å; V364-P432 HydrophobicContact CG2-CG 3.88Å; V364-S434 PolarHBondContact N-O 3.49Å; V364-A435 CarbonylContact O-C 3.47Å; V364-A435 WeakPolarHBondContact O-CA 3.43Å; V364-I436 PolarHBondContact O-N 3.43Å
365I94.7Very high80.3Confident0 Ų050.3 Ų50.30%025%0.252CS..EExtended strand (participates in β ladder)trans-106.1116.7177.2-52179.1000108.8L343 V367 I380 V412 L413 I414 Q415 I436L343-I365 HydrophobicContact CD1-CD1 4.23Å; L343-I365 HydrophobicContact CD1-CG2 4.22Å; I365-V367 HydrophobicContact CG2-CG2 3.98Å; I365-I380 HydrophobicContact CD1-CD1 3.86Å; I365-V412 HydrophobicContact CD1-CG1 3.45Å; I365-V412 VanDerWaalsContact CD1-CG1 3.45Å; I365-V412 HydrophobicContact CG1-CG1 3.91Å; I365-L413 PolarHBondContact N-O 3.48Å; I365-I414 HydrophobicContact CB-CG1 4.4Å; I365-I414 HydrophobicContact CD1-CG1 4.46Å; I365-I414 CarbonylContact O-C 3.6Å; I365-I414 WeakPolarHBondContact O-CA 3.34Å; I365-Q415 PolarHBondContact O-N 3.27Å; I365-I436 WeakPolarHBondContact CA-O 3.34Å; I365-I436 HydrophobicContact CG1-CB 4.28Å; I365-I436 HydrophobicContact CG1-CD1 4.21Å; I365-I436 HydrophobicContact CG2-CB 4.42Å
366F94.6Very high82.1Confident1 Ų149.7 Ų49.70%0.00425%0.247CC..EExtended strand (participates in β ladder)trans-95.4119.8179.6-67.5-77000111.7V364 Q415 A423 L427 A435 I436 Y438 L444 L448V364-F366 HydrophobicContact CB-CE2 4.2Å; V364-F366 HydrophobicContact CB-CZ 4.36Å; V364-F366 HydrophobicContact CG1-CD1 4.35Å; V364-F366 HydrophobicContact CG1-CD2 4.17Å; V364-F366 HydrophobicContact CG1-CE1 3.88Å; V364-F366 HydrophobicContact CG1-CE2 3.69Å; V364-F366 HydrophobicContact CG1-CG 4.49Å; V364-F366 HydrophobicContact CG1-CZ 3.53Å; F366-Q415 WeakPolarHBondContact CA-O 3.24Å; F366-Q415 HydrophobicContact CD1-CB 4.08Å; F366-Q415 HydrophobicContact CD1-CG 4.27Å; F366-Q415 HydrophobicContact CE1-CB 4.16Å; F366-Q415 HydrophobicContact CE1-CG 4.11Å; F366-A423 HydrophobicContact CD1-CB 4.33Å; F366-A423 HydrophobicContact CE1-CB 3.65Å; F366-A423 HydrophobicContact CZ-CB 4.47Å; F366-L427 HydrophobicContact CE2-CD2 4.38Å; F366-L427 HydrophobicContact CZ-CD2 4.06Å; F366-L427 HydrophobicContact CZ-CG 4.28Å; F366-A435 HydrophobicContact CE2-CB 4.27Å; F366-I436 PolarHBondContact N-O 3.27Å; F366-Y438 VanDerWaalsContact O-CB 3.26Å; F366-Y438 WeakPolarHBondContact O-CB 3.41Å; F366-Y438 PolarHBondContact O-N 2.74Å; F366-L444 HydrophobicContact CB-CD2 3.3Å; F366-L444 HydrophobicContact CD1-CD1 4.03Å; F366-L444 HydrophobicContact CD1-CD2 3.95Å; F366-L444 HydrophobicContact CD2-CD1 4.12Å; F366-L444 HydrophobicContact CD2-CD2 3.68Å; F366-L444 HydrophobicContact CD2-CG 4.34Å; F366-L444 HydrophobicContact CE1-CD1 4Å; F366-L444 HydrophobicContact CE2-CD1 4.07Å; F366-L444 HydrophobicContact CE2-CD2 4.45Å; F366-L444 HydrophobicContact CG-CD1 4.08Å; F366-L444 HydrophobicContact CG-CD2 3.37Å; F366-L444 HydrophobicContact CG-CG 4.31Å; F366-L444 HydrophobicContact CZ-CD1 4.01Å; F366-L448 HydrophobicContact CE2-CD1 4.35Å; F366-L448 HydrophobicContact CE2-CD2 4.27Å
367V93Very high83.9Confident0 Ų044.1 Ų44.10%022%0.223CC..EExtended strand (participates in β ladder)trans-126146.2-175.6-172.20000109.9I365 N369 A372 L376 I414 Q415 N416 S417 Y438I365-V367 HydrophobicContact CG2-CG2 3.98Å; V367-N369 PolarHBondContact O-N 3.44Å; V367-A372 HydrophobicContact CG1-CB 3.67Å; V367-L376 HydrophobicContact CG1-CD1 4.36Å; V367-L376 HydrophobicContact CG2-CD1 3.65Å; V367-I414 HydrophobicContact CG2-CG2 3.75Å; V367-Q415 PolarHBondContact N-O 3.02Å; V367-N416 CarbonylContact O-C 3.59Å; V367-N416 WeakPolarHBondContact O-CA 3.49Å; V367-N416 PolarHBondContact O-OD1 3.09Å; V367-S417 PolarHBondContact O-N 3.42Å; V367-Y438 HydrophobicContact CG1-CD1 4.19Å; V367-Y438 HydrophobicContact CG2-CD1 4.48Å; V367-Y438 HydrophobicContact CG2-CG 4.41Å
368N88.1Confident85.6Confident17 Ų1742 Ų429%0.09121%0.213CC..SBendtrans-83.7-6-175.47311.9000115.4R249 N439R249-N368 PolarHBondContact NH2-O 3.14Å; N368-N439 HydrophobicContact CB-CB 4.07Å; N368-N439 PolarHBondContact N-OD1 3.47Å; N368-N439 PolarHBondContact ND2-OD1 3.38Å; N368-N439 PolarHBondContact OD1-OD1 3.48Å
369N85.5Confident87Confident41 Ų4140.3 Ų40.322%0.21920%0.203CC..  trans-146.6128.7-167.3179.62.6000111Q291 V367 R371 A372 A373Q291-N369 PolarHBondContact NE2-ND2 2.89Å; Q291-N369 VanDerWaalsContact NE2-ND2 3.15Å; V367-N369 PolarHBondContact O-N 3.44Å; N369-R371 VanDerWaalsContact C-N 3.27Å; N369-R371 PolarHBondContact O-N 3.12Å; N369-R371 PolarHBondContact OD1-N 2.78Å; N369-R371 VanDerWaalsContact OD1-N 3.09Å; N369-A372 HydrophobicContact CB-CB 4.18Å; N369-A372 PolarHBondContact O-N 3.29Å; N369-A373 PolarHBondContact O-N 2.94Å
370D87.7Confident88.1Confident103 Ų10334.5 Ų34.555%0.55117%0.172SC*.Hα-helixtrans-65.1-29.9-177.3-55.9-38000112.6A373 A374 N416D370-A373 WeakPolarHBondContact O-CB 3.38Å; D370-A373 PolarHBondContact O-N 3.01Å; D370-A374 PolarHBondContact O-N 3.29Å; D370-N416 PolarHBondContact OD1-ND2 2.85Å
371R88.3Confident88.8Confident181 Ų18134.5 Ų34.568%0.68317%0.171SC*.Hα-helixtrans-68.8-41.4175.9-67.3-175.1-179.2173.70.9112.1N369 A373 A374 Q375N369-R371 VanDerWaalsContact C-N 3.27Å; N369-R371 PolarHBondContact O-N 3.12Å; N369-R371 PolarHBondContact OD1-N 2.78Å; N369-R371 VanDerWaalsContact OD1-N 3.09Å; R371-A373 VanDerWaalsContact C-N 3.28Å; R371-A374 PolarHBondContact O-N 3.49Å; R371-Q375 WeakPolarHBondContact O-CG 3.2Å; R371-Q375 PolarHBondContact O-N 2.81Å
372A88.3Confident88.7Confident0 Ų037.1 Ų37.10%019%0.194CC..Hα-helixtrans-65.3-37.317500000110.5S290 Q291 V367 N369 A374 Q375 L376S290-A372 VanDerWaalsContact O-CB 3.3Å; S290-A372 WeakPolarHBondContact O-CB 3.48Å; Q291-A372 HydrophobicContact CG-CB 4.23Å; V367-A372 HydrophobicContact CG1-CB 3.67Å; N369-A372 HydrophobicContact CB-CB 4.18Å; N369-A372 PolarHBondContact O-N 3.29Å; A372-A374 PolarHBondContact O-N 2.82Å; A372-Q375 PolarHBondContact O-N 2.97Å; A372-L376 WeakPolarHBondContact O-CB 3.31Å; A372-L376 VanDerWaalsContact O-CG 3.27Å; A372-L376 WeakPolarHBondContact O-CG 3.22Å; A372-L376 PolarHBondContact O-N 2.91Å
373A90Very high87.9Confident3 Ų340 Ų403%0.02521%0.214CC..Hα-helixtrans-60.4-43.9173.500000112.6N369 D370 R371 L376 K377 I414N369-A373 PolarHBondContact O-N 2.94Å; D370-A373 WeakPolarHBondContact O-CB 3.38Å; D370-A373 PolarHBondContact O-N 3.01Å; R371-A373 VanDerWaalsContact C-N 3.28Å; A373-L376 PolarHBondContact O-N 3.05Å; A373-K377 PolarHBondContact O-N 3.29Å; A373-I414 HydrophobicContact CB-CB 4.5Å; A373-I414 HydrophobicContact CB-CG2 3.55Å
374A90.4Very high86.9Confident41 Ų4141 Ų4134%0.33922%0.218SC..Hα-helixtrans-62.5-45.4175.600000112.6D370 R371 A372 K377 E378 I398D370-A374 PolarHBondContact O-N 3.29Å; R371-A374 PolarHBondContact O-N 3.49Å; A372-A374 PolarHBondContact O-N 2.82Å; A374-K377 PolarHBondContact O-N 3.48Å; A374-E378 PolarHBondContact O-N 2.93Å; A374-I398 HydrophobicContact CB-CD1 4.37Å
375Q89.6Confident85.9Confident33 Ų3343 Ų4315%0.15423%0.228CC..Hα-helixtrans-63.7-41.7177-72.8-171.1-41.800112.4Q291 D292 W340 R371 A372 K377 E378 H379Q291-Q375 VanDerWaalsContact CG-OE1 3.31Å; D292-Q375 VanDerWaalsContact CG-NE2 3.25Å; D292-Q375 PolarHBondContact OD1-NE2 2.96Å; D292-Q375 PolarHBondContact OD2-NE2 3.12Å; W340-Q375 HydrophobicContact CH2-CB 4.26Å; W340-Q375 HydrophobicContact CZ2-CB 4.14Å; R371-Q375 WeakPolarHBondContact O-CG 3.2Å; R371-Q375 PolarHBondContact O-N 2.81Å; A372-Q375 PolarHBondContact O-N 2.97Å; Q375-K377 VanDerWaalsContact C-N 3.33Å; Q375-K377 PolarHBondContact O-N 3.2Å; Q375-E378 PolarHBondContact O-N 2.92Å; Q375-H379 WeakPolarHBondContact O-CB 3.35Å; Q375-H379 PolarHBondContact O-N 2.81Å
376L89.1Confident84.4Confident0 Ų046.7 Ų46.70%026%0.259CS..Hα-helixtrans-63.8-39.8176.1-75.2167.8000111.2W340 L343 V367 A372 A373 H379 I380 I414 Y438W340-L376 HydrophobicContact CG-CD2 4.33Å; L343-L376 HydrophobicContact CD1-CD2 4.3Å; V367-L376 HydrophobicContact CG1-CD1 4.36Å; V367-L376 HydrophobicContact CG2-CD1 3.65Å; A372-L376 WeakPolarHBondContact O-CB 3.31Å; A372-L376 VanDerWaalsContact O-CG 3.27Å; A372-L376 WeakPolarHBondContact O-CG 3.22Å; A372-L376 PolarHBondContact O-N 2.91Å; A373-L376 PolarHBondContact O-N 3.05Å; L376-H379 PolarHBondContact O-N 3.25Å; L376-I380 WeakPolarHBondContact O-CB 3.41Å; L376-I380 WeakPolarHBondContact O-CD1 3.46Å; L376-I380 WeakPolarHBondContact O-CG1 3.45Å; L376-I380 PolarHBondContact O-N 3.17Å; L376-I414 HydrophobicContact CB-CD1 3.9Å; L376-Y438 HydrophobicContact CD1-CD2 4.3Å; L376-Y438 HydrophobicContact CD1-CE1 4.48Å; L376-Y438 HydrophobicContact CD1-CE2 4.24Å; L376-Y438 HydrophobicContact CD1-CG 4.43Å; L376-Y438 HydrophobicContact CD2-CE2 4.23Å
377K90Very high82.9Confident56 Ų5651.4 Ų51.424%0.24328%0.284CS..Hα-helixtrans-59-49173.2174.8165.9172.51730111A373 A374 Q375 H379 T381 V396 E397 I398 I414A373-K377 PolarHBondContact O-N 3.29Å; A374-K377 PolarHBondContact O-N 3.48Å; Q375-K377 VanDerWaalsContact C-N 3.33Å; Q375-K377 PolarHBondContact O-N 3.2Å; K377-H379 PolarHBondContact O-N 3.31Å; K377-T381 VanDerWaalsContact O-CB 3.3Å; K377-T381 WeakPolarHBondContact O-CB 3.25Å; K377-T381 PolarHBondContact O-N 2.71Å; K377-T381 PolarHBondContact O-OG1 3.37Å; K377-V396 HydrophobicContact CB-CG1 4.27Å; K377-V396 WeakPolarHBondContact CE-O 3.32Å; K377-V396 HydrophobicContact CG-CG1 3.94Å; K377-V396 PolarHBondContact NZ-O 3.34Å; K377-E397 IonicContact NZ-OE2 2.77Å; K377-E397 PolarHBondContact NZ-OE2 2.99Å; K377-I398 HydrophobicContact CB-CD1 4.04Å; K377-I398 HydrophobicContact CB-CG1 4.31Å; K377-I398 HydrophobicContact CD-CD1 3.74Å; K377-I398 HydrophobicContact CD-CG1 3.78Å; K377-I414 HydrophobicContact CB-CD1 3.97Å
378E87.7Confident80.9Confident138 Ų13861 Ų6165%0.64533%0.329SS*.Hα-helixtrans-60.3-45.2176.9-72.7179.5-178.700111.7A374 Q375 T381 A382A374-E378 PolarHBondContact O-N 2.93Å; Q375-E378 PolarHBondContact O-N 2.92Å; E378-T381 PolarHBondContact O-N 3.22Å; E378-A382 WeakPolarHBondContact O-CB 3.27Å; E378-A382 PolarHBondContact O-N 2.93Å
379H85.2Confident79.4Confident21 Ų2168.2 Ų68.210%0.09736%0.36CS..Hα-helixtrans-63.5-46179.8-177.2-91.1000112.6W340 Q375 L376 K377 T381 C383 W384W340-H379 HydrophobicContact CE3-CB 4.31Å; W340-H379 AromaticContact CE3-CD2 3.34Å; W340-H379 AromaticContact CE3-CG 3.76Å; W340-H379 AromaticContact CE3-NE2 3.78Å; W340-H379 HydrophobicContact CZ3-CB 4.23Å; W340-H379 AromaticContact CZ3-CD2 3.64Å; Q375-H379 WeakPolarHBondContact O-CB 3.35Å; Q375-H379 PolarHBondContact O-N 2.81Å; L376-H379 PolarHBondContact O-N 3.25Å; K377-H379 PolarHBondContact O-N 3.31Å; H379-T381 VanDerWaalsContact C-N 3.34Å; H379-T381 PolarHBondContact O-N 2.94Å; H379-C383 WeakPolarHBondContact O-CA 3.14Å; H379-C383 VanDerWaalsContact O-CB 3.23Å; H379-C383 WeakPolarHBondContact O-CB 3.02Å; H379-C383 PolarHBondContact O-N 3.19Å; H379-W384 PolarHBondContact O-N 3.42Å
380I85.5Confident78Confident1 Ų167.3 Ų67.31%0.00536%0.356CS..Iπ-helixtrans-64.7-42.7178.5-64.6165.4000110.1L343 L347 I365 L376 W384 L385 L394 V396 V412 I414L343-I380 HydrophobicContact CD2-CD1 4.06Å; L343-I380 HydrophobicContact CD2-CG1 4.1Å; L347-I380 HydrophobicContact CD1-CD1 4.12Å; L347-I380 HydrophobicContact CD1-CG1 4.06Å; L347-I380 HydrophobicContact CD1-CG2 4.35Å; I365-I380 HydrophobicContact CD1-CD1 3.86Å; L376-I380 WeakPolarHBondContact O-CB 3.41Å; L376-I380 WeakPolarHBondContact O-CD1 3.46Å; L376-I380 WeakPolarHBondContact O-CG1 3.45Å; L376-I380 PolarHBondContact O-N 3.17Å; I380-W384 HydrophobicContact CG2-CE3 4.45Å; I380-W384 WeakPolarHBondContact O-CB 3.48Å; I380-W384 PolarHBondContact O-N 2.93Å; I380-L385 PolarHBondContact O-N 3.29Å; I380-L394 HydrophobicContact CG2-CD2 4.22Å; I380-V396 HydrophobicContact CG2-CG2 3.91Å; I380-V412 HydrophobicContact CD1-CG1 4.38Å; I380-I414 HydrophobicContact CD1-CD1 4.22Å
381T85Confident76.7Confident73 Ų7364 Ų6445%0.44834%0.341SS..Iπ-helixtrans-69.5-40.6-178.7-48.50000112.6K377 E378 H379 L385K377-T381 VanDerWaalsContact O-CB 3.3Å; K377-T381 WeakPolarHBondContact O-CB 3.25Å; K377-T381 PolarHBondContact O-N 2.71Å; K377-T381 PolarHBondContact O-OG1 3.37Å; E378-T381 PolarHBondContact O-N 3.22Å; H379-T381 VanDerWaalsContact C-N 3.34Å; H379-T381 PolarHBondContact O-N 2.94Å; T381-L385 HydrophobicContact CG2-CD1 4.5Å; T381-L385 WeakPolarHBondContact O-CB 3.44Å
382A79.6Confident75.2Confident67 Ų6765.5 Ų65.555%0.55435%0.352SS*.Iπ-helixtrans-88.3-43-175.100000113.3E378 A386E378-A382 WeakPolarHBondContact O-CB 3.27Å; E378-A382 PolarHBondContact O-N 2.93Å; A382-A386 WeakPolarHBondContact O-CB 3.46Å
383C69.9Low74Confident65 Ų6571.8 Ų71.844%0.43938%0.381SS..Iπ-helixtrans-96.8-44.7-170.9-59.50000112.5H379 N387H379-C383 WeakPolarHBondContact O-CA 3.14Å; H379-C383 VanDerWaalsContact O-CB 3.23Å; H379-C383 WeakPolarHBondContact O-CB 3.02Å; H379-C383 PolarHBondContact O-N 3.19Å; C383-N387 PolarHBondContact O-ND2 3.29Å
384W70.5Confident73.2Confident19 Ų1972.5 Ų72.57%0.07238%0.384CS..Iπ-helixtrans-81.8-45.5-173.2-170.385.6000112S344 L347 Y351 H379 I380 A386 N387 P391 L394S344-W384 PolarHBondContact O-NE1 3.44Å; L347-W384 HydrophobicContact CB-CD2 4.47Å; L347-W384 HydrophobicContact CB-CH2 4.44Å; L347-W384 HydrophobicContact CB-CZ2 3.76Å; Y351-W384 AromaticContact CD2-CH2 3.65Å; Y351-W384 HydrophobicContact CD2-CH2 3.65Å; Y351-W384 HydrophobicContact CD2-CZ2 4.22Å; Y351-W384 HydrophobicContact CD2-CZ3 4.45Å; Y351-W384 AromaticContact CG-CH2 3.94Å; Y351-W384 HydrophobicContact CG-CH2 3.94Å; H379-W384 PolarHBondContact O-N 3.42Å; I380-W384 HydrophobicContact CG2-CE3 4.45Å; I380-W384 WeakPolarHBondContact O-CB 3.48Å; I380-W384 PolarHBondContact O-N 2.93Å; W384-A386 VanDerWaalsContact C-N 3.26Å; W384-A386 PolarHBondContact O-N 3.28Å; W384-N387 WeakPolarHBondContact O-CB 3.3Å; W384-N387 PolarHBondContact O-N 3.49Å; W384-N387 VanDerWaalsContact O-N 3.14Å; W384-P391 HydrophobicContact CH2-CG 4.49Å; W384-L394 HydrophobicContact CE3-CD2 4.34Å; W384-L394 HydrophobicContact CZ3-CD2 3.93Å
385L71.1Confident72.8Confident43 Ų4375.7 Ų75.723%0.22539%0.391CS..THydrogen-bonded Turntrans-66.1-24.9176.2-94.2152.8000113.7I380 T381 N387 S390 L394 V396I380-L385 PolarHBondContact O-N 3.29Å; T381-L385 HydrophobicContact CG2-CD1 4.5Å; T381-L385 WeakPolarHBondContact O-CB 3.44Å; L385-N387 PolarHBondContact O-N 3.01Å; L385-S390 PolarHBondContact O-OG 2.89Å; L385-L394 HydrophobicContact CD1-CB 4.29Å; L385-L394 HydrophobicContact CD1-CD2 4.07Å; L385-L394 HydrophobicContact CD2-CB 3.91Å; L385-L394 HydrophobicContact CG-CB 4.42Å; L385-L394 HydrophobicContact CG-CD2 4.4Å; L385-V396 HydrophobicContact CD1-CG2 4.28Å
386A63.6Low72.5Confident77 Ų7774.7 Ų74.764%0.63639%0.387SS*.THydrogen-bonded Turntrans-72.4-15.2174.700000113.3A382 W384A382-A386 WeakPolarHBondContact O-CB 3.46Å; W384-A386 VanDerWaalsContact C-N 3.26Å; W384-A386 PolarHBondContact O-N 3.28Å
387N62.6Low72.5Confident100 Ų10076.7 Ų76.754%0.53540%0.397SS..SBendtrans-78.8137.8177.5-72.8-35.7000111.2C383 W384 L385 K389 S390C383-N387 PolarHBondContact O-ND2 3.29Å; W384-N387 WeakPolarHBondContact O-CB 3.3Å; W384-N387 PolarHBondContact O-N 3.49Å; W384-N387 VanDerWaalsContact O-N 3.14Å; L385-N387 PolarHBondContact O-N 3.01Å; N387-K389 PolarHBondContact O-N 3.32Å; N387-S390 PolarHBondContact O-N 2.74Å; N387-S390 PolarHBondContact O-OG 3.45Å
388E52.2Low72.2Confident203 Ų20376.8 Ų76.895%0.94940%0.399SS*.THydrogen-bonded Turntrans-56.7-15.2-177.3-68-171.9157.500115
389K55Low71.9Confident168 Ų16871.1 Ų71.173%0.7338%0.378SS*.THydrogen-bonded Turntrans-86.3-11.5-179.5-66.2-175.4178.6-1790114N352 N387N352-K389 PolarHBondContact OD1-O 3.03Å; N387-K389 PolarHBondContact O-N 3.32Å
390S57.7Low71.7Confident22 Ų2270.5 Ų70.515%0.15438%0.375CS..SBendtrans-78.4151.5-174.763.80000113.2L385 N387 K392L385-S390 PolarHBondContact O-OG 2.89Å; N387-S390 PolarHBondContact O-N 2.74Å; N387-S390 PolarHBondContact O-OG 3.45Å; S390-K392 PolarHBondContact O-N 3.23Å
391P58.8Low71.5Confident34 Ų3479 Ų7922%0.22142%0.415CS..  trans-63.3134.9170.624.6-30.8000110.2Y351 W384 E393 L394Y351-P391 HydrophobicContact CD1-CG 4.09Å; Y351-P391 HydrophobicContact CG-CG 4.29Å; W384-P391 HydrophobicContact CH2-CG 4.49Å; P391-E393 PolarHBondContact O-N 2.85Å; P391-E393 VanDerWaalsContact O-N 3.1Å; P391-L394 HydrophobicContact CG-CB 4.4Å; P391-L394 HydrophobicContact CG-CD1 4.01Å
392K56.7Low71.1Confident212 Ų21279.5 Ų79.592%0.92241%0.412SS*.SBendtrans-62.9-17.9-174-72-177.4177.5179.30114.5S390S390-K392 PolarHBondContact O-N 3.23Å
393E64.1Low71Confident132 Ų13276.7 Ų76.762%0.61739%0.388SS*.  trans-133.272.6-178.1-66.6-175.1171.300110.9P391P391-E393 PolarHBondContact O-N 2.85Å; P391-E393 VanDerWaalsContact O-N 3.1Å
394L73.3Confident71.2Confident17 Ų1778 Ų789%0.08939%0.389CS..EExtended strand (participates in β ladder)trans-99.9118.6171-166.894.3000110.3Y351 I380 W384 L385 P391 V396 V412Y351-L394 HydrophobicContact CD1-CD1 4.03Å; Y351-L394 HydrophobicContact CD2-CD1 4.41Å; Y351-L394 HydrophobicContact CE1-CD1 3.52Å; Y351-L394 HydrophobicContact CE2-CD1 3.96Å; Y351-L394 HydrophobicContact CG-CD1 4.45Å; Y351-L394 VanDerWaalsContact CZ-CD1 3.49Å; I380-L394 HydrophobicContact CG2-CD2 4.22Å; W384-L394 HydrophobicContact CE3-CD2 4.34Å; W384-L394 HydrophobicContact CZ3-CD2 3.93Å; L385-L394 HydrophobicContact CD1-CB 4.29Å; L385-L394 HydrophobicContact CD1-CD2 4.07Å; L385-L394 HydrophobicContact CD2-CB 3.91Å; L385-L394 HydrophobicContact CG-CB 4.42Å; L385-L394 HydrophobicContact CG-CD2 4.4Å; P391-L394 HydrophobicContact CG-CB 4.4Å; P391-L394 HydrophobicContact CG-CD1 4.01Å; L394-V396 HydrophobicContact CD2-CG2 3.64Å; L394-V396 HydrophobicContact CG-CG2 4.39Å; L394-V412 HydrophobicContact CD1-CG2 4.18Å; L394-V412 HydrophobicContact CD2-CG2 3.86Å; L394-V412 HydrophobicContact CG-CG2 4.29Å
395F82.1Confident71.3Confident108 Ų10881.5 Ų81.547%0.47443%0.43SS..EExtended strand (participates in β ladder)trans-85.6125.7171.9-78.2-87.6000110.9F408 S410 A411 V412F395-F408 HydrophobicContact CD2-CB 3.91Å; F395-F408 HydrophobicContact CE2-CB 4.45Å; F395-S410 PolarHBondContact N-O 3.13Å; F395-A411 HydrophobicContact CB-CB 4.21Å; F395-A411 CarbonylContact O-C 3.58Å; F395-A411 VanDerWaalsContact O-CA 3.24Å; F395-A411 WeakPolarHBondContact O-CA 3.44Å; F395-V412 PolarHBondContact O-N 3.35Å
396V83.8Confident71.6Confident13 Ų1385.2 Ų85.28%0.07944%0.444CS..EExtended strand (participates in β ladder)trans-118.3112.4176.6-170.80000109.8K377 I380 L385 L394 V412 I414K377-V396 HydrophobicContact CB-CG1 4.27Å; K377-V396 WeakPolarHBondContact CE-O 3.32Å; K377-V396 HydrophobicContact CG-CG1 3.94Å; K377-V396 PolarHBondContact NZ-O 3.34Å; I380-V396 HydrophobicContact CG2-CG2 3.91Å; L385-V396 HydrophobicContact CD1-CG2 4.28Å; L394-V396 HydrophobicContact CD2-CG2 3.64Å; L394-V396 HydrophobicContact CG-CG2 4.39Å; V396-V412 WeakPolarHBondContact CA-O 3.14Å; V396-V412 HydrophobicContact CG1-CB 4.44Å; V396-V412 HydrophobicContact CG1-CG1 4.49Å; V396-V412 HydrophobicContact CG2-CB 4.34Å; V396-I414 HydrophobicContact CG1-CD1 4.26Å
397E88.1Confident72Confident42 Ų4287.3 Ų87.320%0.19645%0.454CS..EExtended strand (participates in β ladder)trans-130.4159.8-177.2-64.3-66.8-162.800113K377 E402 I403 V412 I414K377-E397 IonicContact NZ-OE2 2.77Å; K377-E397 PolarHBondContact NZ-OE2 2.99Å; E397-E402 HydrophobicContact CB-CB 4.14Å; E397-E402 HydrophobicContact CG-CB 4.35Å; E397-I403 HydrophobicContact CB-CD1 4.13Å; E397-I403 HydrophobicContact CB-CG1 3.88Å; E397-I403 HydrophobicContact CG-CG1 4.3Å; E397-V412 PolarHBondContact N-O 2.78Å; E397-V412 VanDerWaalsContact N-O 3.12Å; E397-I414 PolarHBondContact O-N 3.38Å
398I84.2Confident72.7Confident58 Ų5884.8 Ų84.830%0.29744%0.439SS..EExtended strand (participates in β ladder)trans-114115.3-179.5-61.1168.9000108A374 K377 E402 I414A374-I398 HydrophobicContact CB-CD1 4.37Å; K377-I398 HydrophobicContact CB-CD1 4.04Å; K377-I398 HydrophobicContact CB-CG1 4.31Å; K377-I398 HydrophobicContact CD-CD1 3.74Å; K377-I398 HydrophobicContact CD-CG1 3.78Å; I398-E402 PolarHBondContact N-OE2 2.87Å; I398-E402 VanDerWaalsContact O-OE2 3.12Å; I398-I414 WeakPolarHBondContact CA-O 3.38Å; I398-I414 HydrophobicContact CG1-CB 4.44Å
399G80.8Confident73.9Confident19 Ų1976.9 Ų76.920%0.19641%0.406CS..SBendtrans92.2145.6-179.900000113.9E401 E402 L413 I414G399-E401 VanDerWaalsContact C-N 3.33Å; G399-E401 PolarHBondContact O-N 3.01Å; G399-E402 PolarHBondContact O-N 3.31Å; G399-L413 VanDerWaalsContact C-CD1 3.46Å; G399-L413 VanDerWaalsContact O-CD1 3.32Å; G399-L413 WeakPolarHBondContact O-CD1 3.32Å; G399-I414 PolarHBondContact N-O 3.48Å
400V80.4Confident75.2Confident7 Ų769.5 Ų69.54%0.04238%0.376CS..G310 helixtrans-65.6-35.3-172-171.10000112.7E402 I403 M404 L413 S422 V425 A426 L430V400-E402 PolarHBondContact O-N 3.09Å; V400-I403 PolarHBondContact O-N 2.68Å; V400-M404 HydrophobicContact CG1-CG 3.7Å; V400-M404 HydrophobicContact CG1-SD 4.24Å; V400-M404 WeakPolarHBondContact O-CG 3.45Å; V400-M404 PolarHBondContact O-N 3.37Å; V400-M404 VanDerWaalsContact O-N 3.09Å; V400-L413 HydrophobicContact CG2-CD2 4.21Å; V400-S422 WeakPolarHBondContact CG2-O 3.43Å; V400-S422 WeakPolarHBondContact CG2-OG 3.37Å; V400-V425 HydrophobicContact CG1-CG1 4Å; V400-A426 HydrophobicContact CG2-CB 3.71Å; V400-L430 HydrophobicContact CG1-CD1 4.05Å; V400-L430 HydrophobicContact CG1-CG 4.4Å
401E81.3Confident76.6Confident179 Ų17968.5 Ų68.584%0.83637%0.369SS*.G310 helixtrans-62.6-25.6-174.8-63.3-178.9-177.700112.7G399G399-E401 VanDerWaalsContact C-N 3.33Å; G399-E401 PolarHBondContact O-N 3.01Å
402E77Confident78.1Confident84 Ų8466.9 Ų66.939%0.39336%0.358SS..G310 helixtrans-80-21.7-177.8-61.8-174159.500113.1E397 I398 G399 V400 K406E397-E402 HydrophobicContact CB-CB 4.14Å; E397-E402 HydrophobicContact CG-CB 4.35Å; I398-E402 PolarHBondContact N-OE2 2.87Å; I398-E402 VanDerWaalsContact O-OE2 3.12Å; G399-E402 PolarHBondContact O-N 3.31Å; V400-E402 PolarHBondContact O-N 3.09Å; E402-K406 VanDerWaalsContact O-CD 3.31Å; E402-K406 WeakPolarHBondContact O-CD 3.24Å; E402-K406 WeakPolarHBondContact O-CE 3.32Å; E402-K406 PolarHBondContact O-NZ 2.9Å
403I77.5Confident79.8Confident8 Ų856.8 Ų56.84%0.04131%0.314CS..THydrogen-bonded Turntrans-101-34.8-177-61.6-174.3000111.2E397 V400 G405 K406 F408 L413 L430E397-I403 HydrophobicContact CB-CD1 4.13Å; E397-I403 HydrophobicContact CB-CG1 3.88Å; E397-I403 HydrophobicContact CG-CG1 4.3Å; V400-I403 PolarHBondContact O-N 2.68Å; I403-G405 PolarHBondContact O-N 3.34Å; I403-G405 VanDerWaalsContact O-N 3.16Å; I403-K406 PolarHBondContact O-N 3.42Å; I403-K406 VanDerWaalsContact O-N 3.08Å; I403-F408 HydrophobicContact CG2-CD1 4.15Å; I403-F408 HydrophobicContact CG2-CE1 3.26Å; I403-F408 HydrophobicContact CG2-CZ 3.57Å; I403-L413 HydrophobicContact CD1-CB 3.58Å; I403-L413 HydrophobicContact CD1-CD1 3.62Å; I403-L413 HydrophobicContact CD1-CD2 4.31Å; I403-L413 HydrophobicContact CD1-CG 3.99Å; I403-L413 HydrophobicContact CG1-CD1 4.4Å; I403-L430 HydrophobicContact CG2-CD1 4.28Å; I403-L430 HydrophobicContact CG2-CD2 4.34Å
404M74Confident81.2Confident94 Ų9450.5 Ų50.546%0.46329%0.285SS..THydrogen-bonded Turntrans-52.9120.5179.6-74.1-90.7-69.800111.5V400 L430V400-M404 HydrophobicContact CG1-CG 3.7Å; V400-M404 HydrophobicContact CG1-SD 4.24Å; V400-M404 WeakPolarHBondContact O-CG 3.45Å; V400-M404 PolarHBondContact O-N 3.37Å; V400-M404 VanDerWaalsContact O-N 3.09Å; M404-L430 HydrophobicContact CG-CD2 4.17Å; M404-L430 HydrophobicContact SD-CD2 3.92Å
405G73.7Confident82Confident91 Ų9150 Ų5094%0.93828%0.282SS*.THydrogen-bonded Turntrans863.3177.100000115.7I403I403-G405 PolarHBondContact O-N 3.34Å; I403-G405 VanDerWaalsContact O-N 3.16Å
406K77.4Confident82.4Confident121 Ų12146.3 Ų46.353%0.52627%0.267SS..  trans-99.6144.7171.2-65.5-178.3-175.6160.60110.9E402 I403 F408E402-K406 VanDerWaalsContact O-CD 3.31Å; E402-K406 WeakPolarHBondContact O-CD 3.24Å; E402-K406 WeakPolarHBondContact O-CE 3.32Å; E402-K406 PolarHBondContact O-NZ 2.9Å; I403-K406 PolarHBondContact O-N 3.42Å; I403-K406 VanDerWaalsContact O-N 3.08Å; K406-F408 VanDerWaalsContact O-CD1 3.31Å; K406-F408 WeakPolarHBondContact O-CD1 3.24Å; K406-F408 VanDerWaalsContact O-CE1 3.3Å; K406-F408 WeakPolarHBondContact O-CE1 3.31Å
407S72.1Confident82.6Confident121 Ų12145.8 Ų45.885%0.84626%0.264SS*.  trans-90.8127.6171.1550000110.3
408F76.7Confident82.4Confident47 Ų4748.3 Ų48.321%0.20628%0.276CS..  trans-142151.3178.546.1-91.5000109.6P360 L362 F395 I403 K406 A411P360-F408 HydrophobicContact CB-CD2 4.42Å; P360-F408 VanDerWaalsContact CB-O 3.23Å; P360-F408 WeakPolarHBondContact CB-O 3.49Å; L362-F408 HydrophobicContact CB-CE2 4.38Å; L362-F408 HydrophobicContact CD1-CE2 4.12Å; L362-F408 HydrophobicContact CD1-CZ 4.33Å; F395-F408 HydrophobicContact CD2-CB 3.91Å; F395-F408 HydrophobicContact CE2-CB 4.45Å; I403-F408 HydrophobicContact CG2-CD1 4.15Å; I403-F408 HydrophobicContact CG2-CE1 3.26Å; I403-F408 HydrophobicContact CG2-CZ 3.57Å; K406-F408 VanDerWaalsContact O-CD1 3.31Å; K406-F408 WeakPolarHBondContact O-CD1 3.24Å; K406-F408 VanDerWaalsContact O-CE1 3.3Å; K406-F408 WeakPolarHBondContact O-CE1 3.31Å; F408-A411 HydrophobicContact CB-CB 4.49Å; F408-A411 HydrophobicContact CD2-CB 3.41Å; F408-A411 VanDerWaalsContact CD2-CB 3.41Å; F408-A411 HydrophobicContact CE2-CB 3.67Å; F408-A411 HydrophobicContact CG-CB 3.89Å; F408-A411 HydrophobicContact CZ-CB 4.35Å
409S76.7Confident82.6Confident38 Ų3848 Ų4827%0.26628%0.275SS..SBendtrans-83.8-47.4172.2490000111.1D359 P360 L361D359-S409 WeakPolarHBondContact OD1-CA 3.5Å; D359-S409 VanDerWaalsContact OD1-O 3.12Å; P360-S409 CarbonylContact C-O 3.56Å; P360-S409 WeakPolarHBondContact CA-O 3.33Å; P360-S409 WeakPolarHBondContact CB-O 3.42Å; L361-S409 PolarHBondContact N-O 2.89Å
410S83.3Confident82.9Confident12 Ų1250.9 Ų50.98%0.08428%0.28CS..EExtended strand (participates in β ladder)trans-136.6132.3176-66.20000111.3L361 F395L361-S410 CarbonylContact O-C 3.58Å; L361-S410 VanDerWaalsContact O-CA 3.31Å; L361-S410 WeakPolarHBondContact O-CA 3.2Å; F395-S410 PolarHBondContact N-O 3.13Å
411A87.6Confident83.2Confident1 Ų152 Ų521%0.00829%0.285CS..EExtended strand (participates in β ladder)trans-140.9142.8-179.700000113.1Y351 L361 L362 T363 F395 F408Y351-A411 PolarHBondContact OH-O 2.93Å; Y351-A411 VanDerWaalsContact OH-O 3.13Å; L361-A411 PolarHBondContact O-N 3.47Å; L362-A411 WeakPolarHBondContact CA-O 3.25Å; L362-A411 HydrophobicContact CD1-CB 3.79Å; T363-A411 PolarHBondContact N-O 3.49Å; F395-A411 HydrophobicContact CB-CB 4.21Å; F395-A411 CarbonylContact O-C 3.58Å; F395-A411 VanDerWaalsContact O-CA 3.24Å; F395-A411 WeakPolarHBondContact O-CA 3.44Å; F408-A411 HydrophobicContact CB-CB 4.49Å; F408-A411 HydrophobicContact CD2-CB 3.41Å; F408-A411 VanDerWaalsContact CD2-CB 3.41Å; F408-A411 HydrophobicContact CE2-CB 3.67Å; F408-A411 HydrophobicContact CG-CB 3.89Å; F408-A411 HydrophobicContact CZ-CB 4.35Å
412V89.7Confident83.5Confident0 Ų044.5 Ų44.50%025%0.252CS..EExtended strand (participates in β ladder)trans-113.1117168.9176.30000108.6L347 Y351 T363 I365 I380 L394 F395 V396 E397 I414L347-V412 HydrophobicContact CD2-CG2 4.28Å; Y351-V412 HydrophobicContact CE2-CG2 3.96Å; Y351-V412 VanDerWaalsContact OH-CG2 3.24Å; Y351-V412 WeakPolarHBondContact OH-CG2 3.33Å; T363-V412 CarbonylContact O-C 3.58Å; T363-V412 WeakPolarHBondContact O-CA 3.4Å; I365-V412 HydrophobicContact CD1-CG1 3.45Å; I365-V412 VanDerWaalsContact CD1-CG1 3.45Å; I365-V412 HydrophobicContact CG1-CG1 3.91Å; I380-V412 HydrophobicContact CD1-CG1 4.38Å; L394-V412 HydrophobicContact CD1-CG2 4.18Å; L394-V412 HydrophobicContact CD2-CG2 3.86Å; L394-V412 HydrophobicContact CG-CG2 4.29Å; F395-V412 PolarHBondContact O-N 3.35Å; V396-V412 WeakPolarHBondContact CA-O 3.14Å; V396-V412 HydrophobicContact CG1-CB 4.44Å; V396-V412 HydrophobicContact CG1-CG1 4.49Å; V396-V412 HydrophobicContact CG2-CB 4.34Å; E397-V412 PolarHBondContact N-O 2.78Å; E397-V412 VanDerWaalsContact N-O 3.12Å; V412-I414 HydrophobicContact CG1-CG1 4.37Å
413L92.1Very high84.1Confident0 Ų040.5 Ų40.50%023%0.233CC..EExtended strand (participates in β ladder)trans-99.6121.7174174.657.3000109.9T363 V364 I365 G399 V400 I403 A426 L430T363-L413 PolarHBondContact O-N 3.29Å; V364-L413 CarbonylContact C-O 3.58Å; V364-L413 WeakPolarHBondContact CA-O 3.34Å; V364-L413 HydrophobicContact CG1-CD2 4.45Å; V364-L413 HydrophobicContact CG1-CG 4.46Å; V364-L413 HydrophobicContact CG2-CB 4.21Å; V364-L413 HydrophobicContact CG2-CD2 4.23Å; I365-L413 PolarHBondContact N-O 3.48Å; G399-L413 VanDerWaalsContact C-CD1 3.46Å; G399-L413 VanDerWaalsContact O-CD1 3.32Å; G399-L413 WeakPolarHBondContact O-CD1 3.32Å; V400-L413 HydrophobicContact CG2-CD2 4.21Å; I403-L413 HydrophobicContact CD1-CB 3.58Å; I403-L413 HydrophobicContact CD1-CD1 3.62Å; I403-L413 HydrophobicContact CD1-CD2 4.31Å; I403-L413 HydrophobicContact CD1-CG 3.99Å; I403-L413 HydrophobicContact CG1-CD1 4.4Å; L413-A426 HydrophobicContact CD2-CB 3.99Å; L413-L430 HydrophobicContact CD2-CD1 3.62Å
414I92.7Very high84.7Confident0 Ų040.2 Ų40.20%023%0.232CC..EExtended strand (participates in β ladder)trans-98.5119.4172.4-49.5179.9000109.2I365 V367 A373 L376 K377 I380 V396 E397 I398 G399 V412I365-I414 HydrophobicContact CB-CG1 4.4Å; I365-I414 HydrophobicContact CD1-CG1 4.46Å; I365-I414 CarbonylContact O-C 3.6Å; I365-I414 WeakPolarHBondContact O-CA 3.34Å; V367-I414 HydrophobicContact CG2-CG2 3.75Å; A373-I414 HydrophobicContact CB-CB 4.5Å; A373-I414 HydrophobicContact CB-CG2 3.55Å; L376-I414 HydrophobicContact CB-CD1 3.9Å; K377-I414 HydrophobicContact CB-CD1 3.97Å; I380-I414 HydrophobicContact CD1-CD1 4.22Å; V396-I414 HydrophobicContact CG1-CD1 4.26Å; E397-I414 PolarHBondContact O-N 3.38Å; I398-I414 WeakPolarHBondContact CA-O 3.38Å; I398-I414 HydrophobicContact CG1-CB 4.44Å; G399-I414 PolarHBondContact N-O 3.48Å; V412-I414 HydrophobicContact CG1-CG1 4.37Å
415Q91.4Very high85.3Confident8 Ų836.5 Ų36.54%0.03721%0.214CC..EExtended strand (participates in β ladder)trans-124.6137.8-170.6-172.554.748.300111.8V364 I365 F366 V367 S417 S422V364-Q415 HydrophobicContact CG1-CB 4.15Å; I365-Q415 PolarHBondContact O-N 3.27Å; F366-Q415 WeakPolarHBondContact CA-O 3.24Å; F366-Q415 HydrophobicContact CD1-CB 4.08Å; F366-Q415 HydrophobicContact CD1-CG 4.27Å; F366-Q415 HydrophobicContact CE1-CB 4.16Å; F366-Q415 HydrophobicContact CE1-CG 4.11Å; V367-Q415 PolarHBondContact N-O 3.02Å; Q415-S417 PolarHBondContact O-N 3.01Å; Q415-S422 PolarHBondContact NE2-OG 2.99Å; Q415-S422 PolarHBondContact OE1-OG 3.05Å
416N90.4Very high86Confident29 Ų2932.1 Ų32.116%0.15517%0.169CC..EExtended strand (participates in β ladder)trans-73.6118174.6-170.3-31.7000110.9V367 D370 Q418 N419V367-N416 CarbonylContact O-C 3.59Å; V367-N416 WeakPolarHBondContact O-CA 3.49Å; V367-N416 PolarHBondContact O-OD1 3.09Å; D370-N416 PolarHBondContact OD1-ND2 2.85Å; N416-Q418 VanDerWaalsContact C-N 3.25Å; N416-Q418 PolarHBondContact O-N 3.15Å; N416-Q418 VanDerWaalsContact OD1-CB 3.27Å; N416-Q418 WeakPolarHBondContact OD1-CB 3.42Å; N416-Q418 WeakPolarHBondContact OD1-CG 3.49Å; N416-Q418 PolarHBondContact OD1-N 3.25Å; N416-N419 PolarHBondContact O-N 3.45Å
417S87.4Confident86.5Confident3 Ų326.4 Ų26.42%0.02115%0.145CC..THydrogen-bonded Turntrans-64.9-25.8-178.967.40000113.7V367 Q415 N419V367-S417 PolarHBondContact O-N 3.42Å; Q415-S417 PolarHBondContact O-N 3.01Å; S417-N419 VanDerWaalsContact C-N 3.25Å; S417-N419 PolarHBondContact O-N 3.3Å
418Q84.8Confident87.2Confident95 Ų9521 Ų2144%0.44411%0.106SC..THydrogen-bonded Turntrans-71.2-23.6179.8-57.3-63.6-6600112.5R249 N416 R420R249-Q418 VanDerWaalsContact NH1-CG 3.29Å; N416-Q418 VanDerWaalsContact C-N 3.25Å; N416-Q418 PolarHBondContact O-N 3.15Å; N416-Q418 VanDerWaalsContact OD1-CB 3.27Å; N416-Q418 WeakPolarHBondContact OD1-CB 3.42Å; N416-Q418 WeakPolarHBondContact OD1-CG 3.49Å; N416-Q418 PolarHBondContact OD1-N 3.25Å; Q418-R420 PolarHBondContact O-N 3.14Å; Q418-R420 VanDerWaalsContact O-N 3.17Å
419N87.4Confident87.5Confident50 Ų5020.2 Ų20.227%0.26711%0.106SC..  trans-88.378.6175.6-169.2-2.1000109.8N416 S417 H421 S422 A423N416-N419 PolarHBondContact O-N 3.45Å; S417-N419 VanDerWaalsContact C-N 3.25Å; S417-N419 PolarHBondContact O-N 3.3Å; N419-H421 PolarHBondContact O-N 3.34Å; N419-H421 VanDerWaalsContact O-N 3.14Å; N419-S422 PolarHBondContact O-N 3.17Å; N419-A423 PolarHBondContact O-N 2.93Å
420R88.4Confident87.8Confident80 Ų8019.9 Ų19.930%0.30210%0.101SC..Hα-helixtrans-47.4-44-178.2-67.4-173.3176.8179.4-3.5113.4D155 Q418 S422 A423 L424 W443D155-R420 IonicContact OD2-CZ 3.94Å; D155-R420 IonicContact OD2-NH1 3.93Å; D155-R420 PolarHBondContact OD2-NH1 3.01Å; D155-R420 IonicContact OD2-NH2 2.78Å; D155-R420 PolarHBondContact OD2-NH2 3.17Å; D155-R420 VanDerWaalsContact OD2-NH2 3.15Å; Q418-R420 PolarHBondContact O-N 3.14Å; Q418-R420 VanDerWaalsContact O-N 3.17Å; R420-S422 PolarHBondContact O-N 2.98Å; R420-A423 PolarHBondContact O-N 3.33Å; R420-L424 WeakPolarHBondContact O-CG 3.43Å; R420-L424 PolarHBondContact O-N 2.82Å; R420-W443 HydrophobicContact CB-CH2 3.63Å; R420-W443 HydrophobicContact CB-CZ2 3.61Å; R420-W443 HydrophobicContact CB-CZ3 4.26Å; R420-W443 HydrophobicContact CG-CD2 4.01Å; R420-W443 HydrophobicContact CG-CE3 4.06Å; R420-W443 HydrophobicContact CG-CH2 3.72Å; R420-W443 HydrophobicContact CG-CZ2 3.6Å; R420-W443 HydrophobicContact CG-CZ3 3.92Å
421H86.3Confident88Confident32 Ų3222.5 Ų22.515%0.14811%0.112CC..Hα-helixtrans-59.1-50178.6174.958.5000111.6R57 N419 A423 L424 V425R57-H421 HydrophobicContact CB-CB 4.29Å; R57-H421 PolarHBondContact O-CE1 3.4Å; N419-H421 PolarHBondContact O-N 3.34Å; N419-H421 VanDerWaalsContact O-N 3.14Å; H421-A423 VanDerWaalsContact C-N 3.28Å; H421-A423 PolarHBondContact O-N 3.07Å; H421-L424 PolarHBondContact O-N 2.94Å; H421-V425 VanDerWaalsContact O-CG2 3.3Å; H421-V425 WeakPolarHBondContact O-CG2 3.42Å; H421-V425 PolarHBondContact O-N 3.4Å
422S86.7Confident88Confident20 Ų2022.5 Ų22.514%0.1411%0.111CC..Hα-helixtrans-67.2-32.4-179.1-162.30000112.1V400 Q415 N419 R420 A426V400-S422 WeakPolarHBondContact CG2-O 3.43Å; V400-S422 WeakPolarHBondContact CG2-OG 3.37Å; Q415-S422 PolarHBondContact NE2-OG 2.99Å; Q415-S422 PolarHBondContact OE1-OG 3.05Å; N419-S422 PolarHBondContact O-N 3.17Å; R420-S422 PolarHBondContact O-N 2.98Å; S422-A426 WeakPolarHBondContact O-CB 3.3Å; S422-A426 PolarHBondContact O-N 3.46Å
423A89.7Confident87.9Confident0 Ų023.3 Ų23.30%012%0.117CC..Hα-helixtrans-64.2-46.1172.200000111.6F366 N419 R420 H421 A426 L427 W443F366-A423 HydrophobicContact CD1-CB 4.33Å; F366-A423 HydrophobicContact CE1-CB 3.65Å; F366-A423 HydrophobicContact CZ-CB 4.47Å; N419-A423 PolarHBondContact O-N 2.93Å; R420-A423 PolarHBondContact O-N 3.33Å; H421-A423 VanDerWaalsContact C-N 3.28Å; H421-A423 PolarHBondContact O-N 3.07Å; A423-A426 WeakPolarHBondContact O-CB 3.45Å; A423-A426 PolarHBondContact O-N 3.2Å; A423-L427 WeakPolarHBondContact O-CG 3.44Å; A423-L427 PolarHBondContact O-N 3.47Å; A423-L427 VanDerWaalsContact O-N 3.08Å; A423-W443 HydrophobicContact CB-CH2 4.13Å; A423-W443 HydrophobicContact CB-CZ3 4.18Å
424L89.9Confident87.8Confident2 Ų223.3 Ų23.31%0.0112%0.117CC..Hα-helixtrans-63.9-43.5176.9-67.9170.9000111.9E32 L61 W65 R420 H421 A426 L427 Y428 W443E32-L424 HydrophobicContact CG-CD1 4.03Å; L61-L424 HydrophobicContact CD1-CB 4.18Å; L61-L424 HydrophobicContact CD2-CB 4.49Å; L61-L424 HydrophobicContact CD2-CD1 3.67Å; W65-L424 HydrophobicContact CH2-CD1 4.44Å; W65-L424 HydrophobicContact CZ2-CB 4.48Å; R420-L424 WeakPolarHBondContact O-CG 3.43Å; R420-L424 PolarHBondContact O-N 2.82Å; H421-L424 PolarHBondContact O-N 2.94Å; L424-A426 VanDerWaalsContact C-N 3.31Å; L424-A426 PolarHBondContact O-N 3.01Å; L424-L427 PolarHBondContact O-N 2.93Å; L424-Y428 HydrophobicContact CD2-CD2 4.45Å; L424-Y428 HydrophobicContact CD2-CE2 4Å; L424-Y428 WeakPolarHBondContact O-CD2 3.44Å; L424-Y428 PolarHBondContact O-N 3.43Å; L424-W443 HydrophobicContact CD1-CZ2 4.32Å; L424-W443 HydrophobicContact CD2-CH2 4.5Å; L424-W443 HydrophobicContact CD2-CZ2 4.39Å; L424-W443 HydrophobicContact CG-CH2 4.23Å; L424-W443 HydrophobicContact CG-CZ2 4.24Å
425V87.3Confident87.8Confident16 Ų1623.3 Ų23.310%0.09712%0.117CC..Hα-helixtrans-61.8-41.3176.3177.90000110.5L61 V400 H421 L427 S429L61-V425 HydrophobicContact CD1-CG2 4.13Å; V400-V425 HydrophobicContact CG1-CG1 4Å; H421-V425 VanDerWaalsContact O-CG2 3.3Å; H421-V425 WeakPolarHBondContact O-CG2 3.42Å; H421-V425 PolarHBondContact O-N 3.4Å; V425-L427 VanDerWaalsContact C-N 3.33Å; V425-L427 PolarHBondContact O-N 2.89Å; V425-S429 WeakPolarHBondContact CG1-OG 3.18Å; V425-S429 WeakPolarHBondContact O-CA 3.34Å; V425-S429 WeakPolarHBondContact O-CB 3.49Å; V425-S429 PolarHBondContact O-N 2.59Å; V425-S429 PolarHBondContact O-OG 2.83Å
426A87.7Confident87.9Confident0 Ų023 Ų230%012%0.115CC..Hα-helixtrans-58.5-44.4175.900000112V400 L413 S422 A423 L424 L430V400-A426 HydrophobicContact CG2-CB 3.71Å; L413-A426 HydrophobicContact CD2-CB 3.99Å; S422-A426 WeakPolarHBondContact O-CB 3.3Å; S422-A426 PolarHBondContact O-N 3.46Å; A423-A426 WeakPolarHBondContact O-CB 3.45Å; A423-A426 PolarHBondContact O-N 3.2Å; L424-A426 VanDerWaalsContact C-N 3.31Å; L424-A426 PolarHBondContact O-N 3.01Å; A426-L430 VanDerWaalsContact O-CB 3.26Å; A426-L430 WeakPolarHBondContact O-CB 3.34Å; A426-L430 PolarHBondContact O-N 3.34Å
427L88.5Confident88.1Confident1 Ų121.6 Ų21.61%0.00511%0.108CC..Hα-helixtrans-68.7-57.4-179.5-64.3172.6000111.7F366 A423 L424 V425 S429 H431 P432 L448 Y451F366-L427 HydrophobicContact CE2-CD2 4.38Å; F366-L427 HydrophobicContact CZ-CD2 4.06Å; F366-L427 HydrophobicContact CZ-CG 4.28Å; A423-L427 WeakPolarHBondContact O-CG 3.44Å; A423-L427 PolarHBondContact O-N 3.47Å; A423-L427 VanDerWaalsContact O-N 3.08Å; L424-L427 PolarHBondContact O-N 2.93Å; V425-L427 VanDerWaalsContact C-N 3.33Å; V425-L427 PolarHBondContact O-N 2.89Å; L427-S429 PolarHBondContact O-N 3.12Å; L427-H431 WeakPolarHBondContact O-CA 3.45Å; L427-H431 PolarHBondContact O-N 3.19Å; L427-H431 VanDerWaalsContact O-N 3.1Å; L427-P432 HydrophobicContact CD2-CG 3.92Å; L427-L448 HydrophobicContact CD1-CD2 3.78Å; L427-L448 HydrophobicContact CD2-CD2 3.5Å; L427-L448 HydrophobicContact CG-CD2 4.3Å; L427-Y451 HydrophobicContact CB-CD1 4.33Å; L427-Y451 HydrophobicContact CB-CD2 4.18Å; L427-Y451 HydrophobicContact CB-CE1 4.29Å; L427-Y451 HydrophobicContact CB-CE2 4.15Å; L427-Y451 HydrophobicContact CB-CG 4.29Å; L427-Y451 HydrophobicContact CD2-CD1 4.15Å; L427-Y451 HydrophobicContact CD2-CE1 4.2Å; L427-Y451 PolarHBondContact O-OH 2.85Å; L427-Y451 VanDerWaalsContact O-OH 3.12Å
428Y85.9Confident88.4Confident8 Ų821.4 Ų21.43%0.03111%0.107CC..Hα-helixtrans-79.3-18.5-171.9-72.2-82.2000114.4F3 R33 W65 L424 H431 Y451F3-Y428 HydrophobicContact CB-CD1 4.21Å; F3-Y428 HydrophobicContact CB-CE1 3.81Å; F3-Y428 AromaticContact CD1-CD1 3.81Å; F3-Y428 HydrophobicContact CD1-CD1 3.81Å; F3-Y428 AromaticContact CD1-CE1 3.87Å; F3-Y428 HydrophobicContact CD1-CE1 3.87Å; F3-Y428 HydrophobicContact CG-CD1 4.18Å; F3-Y428 AromaticContact CG-CE1 3.81Å; F3-Y428 HydrophobicContact CG-CE1 3.81Å; R33-Y428 PolarHBondContact NH1-OH 3.02Å; R33-Y428 VanDerWaalsContact NH1-OH 3.11Å; W65-Y428 HydrophobicContact CH2-CE2 4.41Å; W65-Y428 AromaticContact CZ2-CD2 3.79Å; W65-Y428 HydrophobicContact CZ2-CD2 3.79Å; W65-Y428 AromaticContact CZ2-CE2 3.75Å; W65-Y428 HydrophobicContact CZ2-CE2 3.75Å; W65-Y428 HydrophobicContact CZ2-CG 4.43Å; L424-Y428 HydrophobicContact CD2-CD2 4.45Å; L424-Y428 HydrophobicContact CD2-CE2 4Å; L424-Y428 WeakPolarHBondContact O-CD2 3.44Å; L424-Y428 PolarHBondContact O-N 3.43Å; Y428-H431 PolarHBondContact O-CE1 2.96Å; Y428-H431 PolarHBondContact O-ND1 2.72Å; Y428-Y451 HydrophobicContact CD1-CD2 4.13Å; Y428-Y451 HydrophobicContact CD1-CE2 4.09Å; Y428-Y451 AromaticContact CE1-CD2 3.82Å; Y428-Y451 HydrophobicContact CE1-CD2 3.82Å; Y428-Y451 HydrophobicContact CE1-CE2 4.22Å; Y428-Y451 HydrophobicContact CE2-CD2 4.21Å; Y428-Y451 HydrophobicContact CG-CD2 4.47Å; Y428-Y451 HydrophobicContact CG-CE2 4.41Å; Y428-Y451 AromaticContact CZ-CD2 3.87Å
429S83.6Confident88.7Confident29 Ų2917.1 Ų17.120%0.2039%0.087CC..Hα-helixtrans-96.7-38.7178.1-43.20000111.8Q64 V425 L427 H431Q64-S429 PolarHBondContact NE2-OG 3.38Å; V425-S429 WeakPolarHBondContact CG1-OG 3.18Å; V425-S429 WeakPolarHBondContact O-CA 3.34Å; V425-S429 WeakPolarHBondContact O-CB 3.49Å; V425-S429 PolarHBondContact O-N 2.59Å; V425-S429 PolarHBondContact O-OG 2.83Å; L427-S429 PolarHBondContact O-N 3.12Å; S429-H431 PolarHBondContact O-ND1 3.23Å
430L84Confident88.7Confident31 Ų3116 Ų1616%0.1629%0.085CC..Hα-helixtrans-98.7-16.3-173.1-52.3177000114.4L362 V400 I403 M404 L413 A426L362-L430 HydrophobicContact CD2-CB 3.33Å; L362-L430 HydrophobicContact CD2-CD1 4.13Å; L362-L430 HydrophobicContact CD2-CG 4.34Å; L362-L430 WeakPolarHBondContact CD2-O 3.16Å; V400-L430 HydrophobicContact CG1-CD1 4.05Å; V400-L430 HydrophobicContact CG1-CG 4.4Å; I403-L430 HydrophobicContact CG2-CD1 4.28Å; I403-L430 HydrophobicContact CG2-CD2 4.34Å; M404-L430 HydrophobicContact CG-CD2 4.17Å; M404-L430 HydrophobicContact SD-CD2 3.92Å; L413-L430 HydrophobicContact CD2-CD1 3.62Å; A426-L430 VanDerWaalsContact O-CB 3.26Å; A426-L430 WeakPolarHBondContact O-CB 3.34Å; A426-L430 PolarHBondContact O-N 3.34Å
431H86Confident88.7Confident68 Ų6813.8 Ų13.832%0.3158%0.079SC..  trans53.561.9174.9-55.962.7000113.8L427 Y428 S429 Y451 D455L427-H431 WeakPolarHBondContact O-CA 3.45Å; L427-H431 PolarHBondContact O-N 3.19Å; L427-H431 VanDerWaalsContact O-N 3.1Å; Y428-H431 PolarHBondContact O-CE1 2.96Å; Y428-H431 PolarHBondContact O-ND1 2.72Å; S429-H431 PolarHBondContact O-ND1 3.23Å; H431-Y451 WeakPolarHBondContact CA-OH 3.17Å; H431-D455 IonicContact CD2-OD1 2.6Å; H431-D455 IonicContact CD2-OD2 3.42Å; H431-D455 PolarHBondContact CD2-OD2 3.07Å; H431-D455 IonicContact CG-OD2 2.67Å; H431-D455 IonicContact NE2-OD1 3.13Å; H431-D455 IonicContact NE2-OD2 2.67Å
432P88.4Confident88.8Confident0 Ų012.8 Ų12.80%08%0.075CC..  trans-67.5148.9-17429.7-35.6000113.3L362 V364 L427 L462L362-P432 HydrophobicContact CB-CB 4.49Å; L362-P432 HydrophobicContact CD2-CB 4.06Å; L362-P432 HydrophobicContact CG-CB 4.1Å; L362-P432 CarbonylContact O-C 3.53Å; L362-P432 WeakPolarHBondContact O-CA 3.34Å; L362-P432 WeakPolarHBondContact O-CB 3.47Å; V364-P432 HydrophobicContact CG2-CB 3.68Å; V364-P432 HydrophobicContact CG2-CG 3.88Å; L427-P432 HydrophobicContact CD2-CG 3.92Å; P432-L462 VanDerWaalsContact O-CD1 3.31Å; P432-L462 WeakPolarHBondContact O-CD1 3.37Å
433C86.6Confident89.1Confident17 Ų1712.1 Ų12.112%0.1157%0.069CC..SBendtrans-80.8-26.5174.6-53.60000112.1L361 L362 R463L361-C433 HydrophobicContact CD2-CB 4.39Å; L362-C433 PolarHBondContact O-N 3.24Å; C433-R463 PolarHBondContact O-N 3.11Å
434S89.9Confident89.3Confident1 Ų112.1 Ų12.11%0.0077%0.069CC..EExtended strand (participates in β ladder)trans-144.4143.1179.8-62.60000111.7L362 T363 V364 R463L362-S434 PolarHBondContact O-N 3.08Å; T363-S434 CarbonylContact C-O 3.58Å; T363-S434 WeakPolarHBondContact CA-O 3.39Å; V364-S434 PolarHBondContact N-O 3.49Å; S434-R463 CarbonylContact C-O 3.53Å; S434-R463 WeakPolarHBondContact CA-O 3.35Å
435A93.1Very high89.4Confident0 Ų012.6 Ų12.60%07%0.071CC..EExtended strand (participates in β ladder)trans-127.3126.717800000110.1V364 F366 L448 L462 R463 I464 F465V364-A435 CarbonylContact O-C 3.47Å; V364-A435 WeakPolarHBondContact O-CA 3.43Å; F366-A435 HydrophobicContact CE2-CB 4.27Å; A435-L448 HydrophobicContact CB-CD1 4.04Å; A435-L448 HydrophobicContact CB-CD2 3.82Å; A435-L462 HydrophobicContact CB-CD1 4.1Å; A435-L462 HydrophobicContact CB-CD2 4.45Å; A435-R463 PolarHBondContact N-O 3.38Å; A435-I464 WeakPolarHBondContact O-CA 3.35Å; A435-F465 PolarHBondContact O-N 2.82Å
436I94.6Very high89.6Confident0 Ų012.6 Ų12.60%07%0.07CC..EExtended strand (participates in β ladder)trans-112.5117.6179.9-54.4-179.1000108.7I346 L347 I350 T363 V364 I365 F366 Y438 F465 L467I346-I436 HydrophobicContact CG2-CD1 3.65Å; I346-I436 HydrophobicContact CG2-CG1 4.21Å; L347-I436 HydrophobicContact CD2-CD1 4.21Å; I350-I436 HydrophobicContact CD1-CD1 4.22Å; T363-I436 HydrophobicContact CG2-CD1 3.96Å; T363-I436 HydrophobicContact CG2-CG1 4.1Å; V364-I436 PolarHBondContact O-N 3.43Å; I365-I436 WeakPolarHBondContact CA-O 3.34Å; I365-I436 HydrophobicContact CG1-CB 4.28Å; I365-I436 HydrophobicContact CG1-CD1 4.21Å; I365-I436 HydrophobicContact CG2-CB 4.42Å; F366-I436 PolarHBondContact N-O 3.27Å; I436-Y438 PolarHBondContact O-N 2.56Å; I436-F465 WeakPolarHBondContact CA-O 3.27Å; I436-F465 HydrophobicContact CG1-CB 4.2Å; I436-F465 HydrophobicContact CG1-CD2 4.11Å; I436-F465 HydrophobicContact CG1-CG 4.48Å; I436-F465 HydrophobicContact CG2-CB 4.4Å; I436-L467 HydrophobicContact CG2-CD1 3.48Å; I436-L467 VanDerWaalsContact CG2-CD1 3.48Å
437I94.5Very high89.8Confident0 Ų012.6 Ų12.60%07%0.07CC..EExtended strand (participates in β ladder)trans-9298.6174-53.5179.4000107.7N439 L444 L445 L448 I464 F465 F466 L467I437-N439 WeakPolarHBondContact CG2-O 3.3Å; I437-L444 HydrophobicContact CD1-CD2 4.43Å; I437-L444 HydrophobicContact CD1-CG 4.41Å; I437-L444 HydrophobicContact CG1-CD2 4.04Å; I437-L444 HydrophobicContact CG1-CG 4.46Å; I437-L444 HydrophobicContact CG2-CD2 4.17Å; I437-L445 HydrophobicContact CD1-CB 4.03Å; I437-L445 HydrophobicContact CD1-CD1 3.87Å; I437-L448 HydrophobicContact CD1-CD1 3.64Å; I437-L448 HydrophobicContact CG1-CD1 3.78Å; I437-I464 HydrophobicContact CD1-CG2 4.26Å; I437-F465 PolarHBondContact N-O 3.26Å; I437-F466 HydrophobicContact CB-CD2 3.99Å; I437-F466 HydrophobicContact CD1-CD2 4.07Å; I437-F466 HydrophobicContact CG2-CD2 3.9Å; I437-F466 HydrophobicContact CG2-CE2 4.16Å; I437-L467 PolarHBondContact O-N 2.88Å
438Y93.5Very high89.9Confident0 Ų012.6 Ų12.60%07%0.07CC..SBendtrans-76-32.7-176.3-176.8-94.9000112.9K339 W340 L343 F366 V367 L376 I436K339-Y438 HydrophobicContact CB-CE2 3.65Å; K339-Y438 HydrophobicContact CD-CE1 4.17Å; K339-Y438 HydrophobicContact CD-CE2 4.03Å; K339-Y438 HydrophobicContact CG-CE2 4.39Å; K339-Y438 PolarHBondContact NZ-O 2.84Å; W340-Y438 PolarHBondContact NE1-OH 3.13Å; L343-Y438 HydrophobicContact CD1-CD2 3.89Å; L343-Y438 HydrophobicContact CD1-CE2 4.28Å; F366-Y438 VanDerWaalsContact O-CB 3.26Å; F366-Y438 WeakPolarHBondContact O-CB 3.41Å; F366-Y438 PolarHBondContact O-N 2.74Å; V367-Y438 HydrophobicContact CG1-CD1 4.19Å; V367-Y438 HydrophobicContact CG2-CD1 4.48Å; V367-Y438 HydrophobicContact CG2-CG 4.41Å; L376-Y438 HydrophobicContact CD1-CD2 4.3Å; L376-Y438 HydrophobicContact CD1-CE1 4.48Å; L376-Y438 HydrophobicContact CD1-CE2 4.24Å; L376-Y438 HydrophobicContact CD1-CG 4.43Å; L376-Y438 HydrophobicContact CD2-CE2 4.23Å; I436-Y438 PolarHBondContact O-N 2.56Å
439N90.2Very high90.2Very high5 Ų513.4 Ų13.43%0.0277%0.074CC..SBendtrans-120.3133.3174.8-63.7116.9000110N368 I437 D441 E474N368-N439 HydrophobicContact CB-CB 4.07Å; N368-N439 PolarHBondContact N-OD1 3.47Å; N368-N439 PolarHBondContact ND2-OD1 3.38Å; N368-N439 PolarHBondContact OD1-OD1 3.48Å; I437-N439 WeakPolarHBondContact CG2-O 3.3Å; N439-D441 PolarHBondContact O-N 3.27Å; N439-D441 VanDerWaalsContact O-N 3.1Å; N439-E474 WeakPolarHBondContact CA-OE1 3.29Å; N439-E474 PolarHBondContact ND2-OE1 3.03Å
440A87.8Confident90.5Very high26 Ų2612 Ų1222%0.2156%0.064CC..  trans-58.1115.3-177.600000111.8F466 E474 Y478A440-F466 HydrophobicContact CB-CE2 4.01Å; A440-F466 HydrophobicContact CB-CZ 3.72Å; A440-E474 HydrophobicContact CB-CG 4.26Å; A440-E474 PolarHBondContact N-OE1 2.99Å; A440-Y478 HydrophobicContact CB-CD2 3.87Å; A440-Y478 HydrophobicContact CB-CG 4.02Å
441D89Confident90.7Very high34 Ų3410.6 Ų10.618%0.1826%0.056CC..  trans-137.9114.6177.6-171.2-21.4000110.9N439 W443 L444 L445N439-D441 PolarHBondContact O-N 3.27Å; N439-D441 VanDerWaalsContact O-N 3.1Å; D441-W443 VanDerWaalsContact C-N 3.34Å; D441-W443 PolarHBondContact O-N 3.46Å; D441-W443 PolarHBondContact OD1-N 2.94Å; D441-L444 HydrophobicContact CB-CB 4.02Å; D441-L444 PolarHBondContact O-N 3.19Å; D441-L445 PolarHBondContact O-N 3.43Å
442L88.9Confident90.8Very high11 Ų118 Ų86%0.0585%0.046CC..Hα-helixtrans-63.4-36.1-178.2-173.264000113.3R446 Y478 V482L442-R446 WeakPolarHBondContact O-CD 3.17Å; L442-R446 WeakPolarHBondContact O-CG 3.5Å; L442-R446 PolarHBondContact O-N 2.63Å; L442-Y478 HydrophobicContact CB-CE2 4.23Å; L442-Y478 HydrophobicContact CD1-CE2 4.21Å; L442-V482 HydrophobicContact CD1-CG2 3.77Å; L442-V482 HydrophobicContact CD2-CG2 4.14Å
443W92.3Very high90.7Very high5 Ų510 Ų102%0.0196%0.056CC..Hα-helixtrans-68.1-45.9179.1169.589.9000109.8E32 R420 A423 L424 D441 Q447E32-W443 PolarHBondContact OE1-NE1 3.34Å; R420-W443 HydrophobicContact CB-CH2 3.63Å; R420-W443 HydrophobicContact CB-CZ2 3.61Å; R420-W443 HydrophobicContact CB-CZ3 4.26Å; R420-W443 HydrophobicContact CG-CD2 4.01Å; R420-W443 HydrophobicContact CG-CE3 4.06Å; R420-W443 HydrophobicContact CG-CH2 3.72Å; R420-W443 HydrophobicContact CG-CZ2 3.6Å; R420-W443 HydrophobicContact CG-CZ3 3.92Å; A423-W443 HydrophobicContact CB-CH2 4.13Å; A423-W443 HydrophobicContact CB-CZ3 4.18Å; L424-W443 HydrophobicContact CD1-CZ2 4.32Å; L424-W443 HydrophobicContact CD2-CH2 4.5Å; L424-W443 HydrophobicContact CD2-CZ2 4.39Å; L424-W443 HydrophobicContact CG-CH2 4.23Å; L424-W443 HydrophobicContact CG-CZ2 4.24Å; D441-W443 VanDerWaalsContact C-N 3.34Å; D441-W443 PolarHBondContact O-N 3.46Å; D441-W443 PolarHBondContact OD1-N 2.94Å; W443-Q447 HydrophobicContact CD2-CG 4.03Å; W443-Q447 HydrophobicContact CG-CG 4.46Å; W443-Q447 HydrophobicContact CH2-CG 4.28Å; W443-Q447 HydrophobicContact CZ2-CG 3.76Å; W443-Q447 WeakPolarHBondContact O-CB 3.44Å; W443-Q447 VanDerWaalsContact O-CG 3.24Å; W443-Q447 WeakPolarHBondContact O-CG 2.94Å; W443-Q447 PolarHBondContact O-N 3.5Å
444L93Very high90.5Very high0 Ų09.2 Ų9.20%05%0.051CC..Hα-helixtrans-67-45-176.1-179.566.4000112F366 I437 D441 R446 Q447 L448F366-L444 HydrophobicContact CB-CD2 3.3Å; F366-L444 HydrophobicContact CD1-CD1 4.03Å; F366-L444 HydrophobicContact CD1-CD2 3.95Å; F366-L444 HydrophobicContact CD2-CD1 4.12Å; F366-L444 HydrophobicContact CD2-CD2 3.68Å; F366-L444 HydrophobicContact CD2-CG 4.34Å; F366-L444 HydrophobicContact CE1-CD1 4Å; F366-L444 HydrophobicContact CE2-CD1 4.07Å; F366-L444 HydrophobicContact CE2-CD2 4.45Å; F366-L444 HydrophobicContact CG-CD1 4.08Å; F366-L444 HydrophobicContact CG-CD2 3.37Å; F366-L444 HydrophobicContact CG-CG 4.31Å; F366-L444 HydrophobicContact CZ-CD1 4.01Å; I437-L444 HydrophobicContact CD1-CD2 4.43Å; I437-L444 HydrophobicContact CD1-CG 4.41Å; I437-L444 HydrophobicContact CG1-CD2 4.04Å; I437-L444 HydrophobicContact CG1-CG 4.46Å; I437-L444 HydrophobicContact CG2-CD2 4.17Å; D441-L444 HydrophobicContact CB-CB 4.02Å; D441-L444 PolarHBondContact O-N 3.19Å; L444-R446 VanDerWaalsContact C-N 3.33Å; L444-R446 PolarHBondContact O-N 3.1Å; L444-Q447 PolarHBondContact O-N 3.13Å; L444-L448 HydrophobicContact CD1-CD1 4.31Å; L444-L448 HydrophobicContact CD1-CG 4.4Å; L444-L448 HydrophobicContact CG-CD1 4.04Å; L444-L448 WeakPolarHBondContact O-CG 2.96Å; L444-L448 PolarHBondContact O-N 3.15Å
445L92.7Very high89.8Confident12 Ų129.9 Ų9.96%0.0635%0.054CC..Hα-helixtrans-54.3-51.1178.2178.563.8000111.1V199 I437 D441 Q447 L448 E449 Y478V199-L445 HydrophobicContact CG1-CD1 4.01Å; V199-L445 HydrophobicContact CG2-CD1 4Å; I437-L445 HydrophobicContact CD1-CB 4.03Å; I437-L445 HydrophobicContact CD1-CD1 3.87Å; D441-L445 PolarHBondContact O-N 3.43Å; L445-Q447 VanDerWaalsContact C-N 3.35Å; L445-Q447 PolarHBondContact O-N 2.9Å; L445-L448 WeakPolarHBondContact O-CB 3.09Å; L445-L448 PolarHBondContact O-N 3.35Å; L445-E449 WeakPolarHBondContact O-CG 3.41Å; L445-E449 PolarHBondContact O-N 2.85Å; L445-Y478 WeakPolarHBondContact CD2-OH 3.32Å
446R91.7Very high88.6Confident16 Ų1613.1 Ų13.16%0.068%0.075CC..Hα-helixtrans-67.2-34.3180-68.1169.5177179-1.2112.9K27 G28 L442 L444 L448 E449 V450 E485K27-R446 WeakPolarHBondContact O-CD 3.3Å; K27-R446 PolarHBondContact O-NH1 3.36Å; G28-R446 CarbonylContact O-C 3.53Å; L442-R446 WeakPolarHBondContact O-CD 3.17Å; L442-R446 WeakPolarHBondContact O-CG 3.5Å; L442-R446 PolarHBondContact O-N 2.63Å; L444-R446 VanDerWaalsContact C-N 3.33Å; L444-R446 PolarHBondContact O-N 3.1Å; R446-L448 VanDerWaalsContact C-N 3.31Å; R446-E449 WeakPolarHBondContact O-CB 3.24Å; R446-E449 PolarHBondContact O-N 2.85Å; R446-V450 VanDerWaalsContact O-CG2 3.31Å; R446-V450 WeakPolarHBondContact O-CG2 3.34Å; R446-V450 PolarHBondContact O-N 2.81Å; R446-E485 IonicContact CZ-OE1 3.15Å; R446-E485 VanDerWaalsContact NH1-CD 3.31Å; R446-E485 IonicContact NH1-OE1 2.76Å; R446-E485 PolarHBondContact NH1-OE1 3.46Å; R446-E485 IonicContact NH1-OE2 3.37Å; R446-E485 PolarHBondContact NH1-OE2 3.05Å; R446-E485 VanDerWaalsContact NH1-OE2 3.12Å; R446-E485 IonicContact NH2-OE1 3.95Å; R446-E485 PolarHBondContact NH2-OE1 3.46Å
447Q91.5Very high87.3Confident1 Ų115.7 Ų15.71%0.00510%0.095CC..Hα-helixtrans-65.8-36.2173.9-74.3-69.3-10.600112E32 W443 L444 L445 V450 Y451E32-Q447 PolarHBondContact OE2-NE2 3.05Å; W443-Q447 HydrophobicContact CD2-CG 4.03Å; W443-Q447 HydrophobicContact CG-CG 4.46Å; W443-Q447 HydrophobicContact CH2-CG 4.28Å; W443-Q447 HydrophobicContact CZ2-CG 3.76Å; W443-Q447 WeakPolarHBondContact O-CB 3.44Å; W443-Q447 VanDerWaalsContact O-CG 3.24Å; W443-Q447 WeakPolarHBondContact O-CG 2.94Å; W443-Q447 PolarHBondContact O-N 3.5Å; L444-Q447 PolarHBondContact O-N 3.13Å; L445-Q447 VanDerWaalsContact C-N 3.35Å; L445-Q447 PolarHBondContact O-N 2.9Å; Q447-V450 PolarHBondContact O-N 2.89Å; Q447-Y451 WeakPolarHBondContact O-CB 3.43Å; Q447-Y451 PolarHBondContact O-N 2.97Å
448L91.7Very high86.2Confident0 Ų018.1 Ų18.10%011%0.105CC..Hα-helixtrans-68.8-39.6174.9-70.2167.5000111.7F366 L427 A435 I437 L444 L445 R446 V450 Y451 C452 L462 I464F366-L448 HydrophobicContact CE2-CD1 4.35Å; F366-L448 HydrophobicContact CE2-CD2 4.27Å; L427-L448 HydrophobicContact CD1-CD2 3.78Å; L427-L448 HydrophobicContact CD2-CD2 3.5Å; L427-L448 HydrophobicContact CG-CD2 4.3Å; A435-L448 HydrophobicContact CB-CD1 4.04Å; A435-L448 HydrophobicContact CB-CD2 3.82Å; I437-L448 HydrophobicContact CD1-CD1 3.64Å; I437-L448 HydrophobicContact CG1-CD1 3.78Å; L444-L448 HydrophobicContact CD1-CD1 4.31Å; L444-L448 HydrophobicContact CD1-CG 4.4Å; L444-L448 HydrophobicContact CG-CD1 4.04Å; L444-L448 WeakPolarHBondContact O-CG 2.96Å; L444-L448 PolarHBondContact O-N 3.15Å; L445-L448 WeakPolarHBondContact O-CB 3.09Å; L445-L448 PolarHBondContact O-N 3.35Å; R446-L448 VanDerWaalsContact C-N 3.31Å; L448-V450 PolarHBondContact O-N 3.46Å; L448-Y451 PolarHBondContact O-N 3.31Å; L448-C452 PolarHBondContact O-N 2.81Å; L448-C452 PolarHBondContact O-SG 3.25Å; L448-L462 HydrophobicContact CD2-CD2 4.15Å; L448-I464 HydrophobicContact CB-CD1 3.69Å; L448-I464 HydrophobicContact CB-CG1 4.29Å; L448-I464 HydrophobicContact CD1-CG2 4.24Å
449E90.6Very high84.6Confident26 Ų2624.4 Ų24.412%0.12114%0.143CC..Hα-helixtrans-57.4-48.3171.8-67.3170.5-176.700111.4R184 L445 R446 C452R184-E449 IonicContact CZ-OE2 3.69Å; R184-E449 IonicContact NE-OE2 2.59Å; R184-E449 PolarHBondContact NE-OE2 3.47Å; R184-E449 VanDerWaalsContact NE-OE2 3.15Å; R184-E449 IonicContact NH2-OE1 3.33Å; R184-E449 IonicContact NH2-OE2 3.96Å; R184-E449 PolarHBondContact NH2-OE2 2.95Å; L445-E449 WeakPolarHBondContact O-CG 3.41Å; L445-E449 PolarHBondContact O-N 2.85Å; R446-E449 WeakPolarHBondContact O-CB 3.24Å; R446-E449 PolarHBondContact O-N 2.85Å; E449-C452 WeakPolarHBondContact O-CB 3.38Å; E449-C452 PolarHBondContact O-N 2.9Å
450V90.1Very high83.7Confident0 Ų025.6 Ų25.60%015%0.152CC..Hα-helixtrans-63-43.8177.1172.10000110.8L6 S30 L193 R446 Q447 L448 C452 L453 T454L6-V450 HydrophobicContact CD1-CG1 4.28Å; S30-V450 WeakPolarHBondContact OG-CG1 3.26Å; L193-V450 HydrophobicContact CD2-CG2 3.82Å; R446-V450 VanDerWaalsContact O-CG2 3.31Å; R446-V450 WeakPolarHBondContact O-CG2 3.34Å; R446-V450 PolarHBondContact O-N 2.81Å; Q447-V450 PolarHBondContact O-N 2.89Å; L448-V450 PolarHBondContact O-N 3.46Å; V450-C452 VanDerWaalsContact C-N 3.33Å; V450-C452 PolarHBondContact O-N 3.15Å; V450-L453 PolarHBondContact O-N 2.91Å; V450-T454 HydrophobicContact CG1-CG2 4.14Å; V450-T454 WeakPolarHBondContact O-CB 3.44Å; V450-T454 WeakPolarHBondContact O-CG2 3.48Å; V450-T454 PolarHBondContact O-N 2.91Å; V450-T454 PolarHBondContact O-OG1 2.66Å
451Y89Confident83.3Confident0 Ų031.6 Ų31.60%018%0.176CC..Hα-helixtrans-62.3-39.8179.2176.3-109.5000112L427 Y428 H431 Q447 L448 L453 T454 D455 L462L427-Y451 HydrophobicContact CB-CD1 4.33Å; L427-Y451 HydrophobicContact CB-CD2 4.18Å; L427-Y451 HydrophobicContact CB-CE1 4.29Å; L427-Y451 HydrophobicContact CB-CE2 4.15Å; L427-Y451 HydrophobicContact CB-CG 4.29Å; L427-Y451 HydrophobicContact CD2-CD1 4.15Å; L427-Y451 HydrophobicContact CD2-CE1 4.2Å; L427-Y451 PolarHBondContact O-OH 2.85Å; L427-Y451 VanDerWaalsContact O-OH 3.12Å; Y428-Y451 HydrophobicContact CD1-CD2 4.13Å; Y428-Y451 HydrophobicContact CD1-CE2 4.09Å; Y428-Y451 AromaticContact CE1-CD2 3.82Å; Y428-Y451 HydrophobicContact CE1-CD2 3.82Å; Y428-Y451 HydrophobicContact CE1-CE2 4.22Å; Y428-Y451 HydrophobicContact CE2-CD2 4.21Å; Y428-Y451 HydrophobicContact CG-CD2 4.47Å; Y428-Y451 HydrophobicContact CG-CE2 4.41Å; Y428-Y451 AromaticContact CZ-CD2 3.87Å; H431-Y451 WeakPolarHBondContact CA-OH 3.17Å; Q447-Y451 WeakPolarHBondContact O-CB 3.43Å; Q447-Y451 PolarHBondContact O-N 2.97Å; L448-Y451 PolarHBondContact O-N 3.31Å; Y451-L453 PolarHBondContact O-N 2.89Å; Y451-L453 VanDerWaalsContact O-N 3.07Å; Y451-T454 WeakPolarHBondContact CA-OG1 3.49Å; Y451-T454 PolarHBondContact O-N 2.78Å; Y451-T454 PolarHBondContact O-OG1 3.5Å; Y451-D455 HydrophobicContact CD2-CB 4.12Å; Y451-D455 HydrophobicContact CE2-CB 3.57Å; Y451-D455 WeakPolarHBondContact CE2-OD2 3.36Å; Y451-D455 VanDerWaalsContact CZ-OD2 3.26Å; Y451-D455 PolarHBondContact O-N 3.38Å; Y451-D455 PolarHBondContact OH-OD2 2.99Å; Y451-L462 HydrophobicContact CD1-CD2 3.67Å; Y451-L462 HydrophobicContact CE1-CD2 3.93Å
452C87.7Confident83.2Confident13 Ų1330 Ų309%0.08817%0.167CC..Hα-helixtrans-56.7-25.4175.9-750000114.2L448 E449 V450 R458 I464L448-C452 PolarHBondContact O-N 2.81Å; L448-C452 PolarHBondContact O-SG 3.25Å; E449-C452 WeakPolarHBondContact O-CB 3.38Å; E449-C452 PolarHBondContact O-N 2.9Å; V450-C452 VanDerWaalsContact C-N 3.33Å; V450-C452 PolarHBondContact O-N 3.15Å; C452-R458 PolarHBondContact O-NH2 2.8Å; C452-I464 VanDerWaalsContact SG-CD1 3.55Å
453L85.5Confident83.2Confident42 Ų4233 Ų3322%0.2218%0.178CC..Hα-helixtrans-102.9-12.6-175.2-64.6170.7000113.5L6 G192 L193 Q195 C196 V450 Y451L6-L453 HydrophobicContact CD2-CB 3.64Å; G192-L453 WeakPolarHBondContact O-CD1 3.38Å; L193-L453 HydrophobicContact CD2-CD1 3.91Å; Q195-L453 HydrophobicContact CB-CD2 3.89Å; C196-L453 HydrophobicContact CB-CD1 4.22Å; C196-L453 HydrophobicContact CB-CD2 4.49Å; C196-L453 HydrophobicContact CB-CG 4.36Å; V450-L453 PolarHBondContact O-N 2.91Å; Y451-L453 PolarHBondContact O-N 2.89Å; Y451-L453 VanDerWaalsContact O-N 3.07Å
454T83.3Confident83.2Confident1 Ų132.9 Ų32.91%0.00618%0.177CC..Hα-helixtrans-112-29.1-167.253.40000112.9R4 L6 R33 V450 Y451 T456R4-T454 PolarHBondContact N-O 2.89Å; R4-T454 VanDerWaalsContact O-CB 3.25Å; R4-T454 WeakPolarHBondContact O-CB 3.47Å; R4-T454 VanDerWaalsContact O-CG2 3.27Å; R4-T454 WeakPolarHBondContact O-CG2 3.45Å; L6-T454 HydrophobicContact CD1-CG2 3.97Å; L6-T454 HydrophobicContact CD2-CG2 3.7Å; L6-T454 HydrophobicContact CG-CG2 3.57Å; R33-T454 VanDerWaalsContact CZ-CG2 3.41Å; R33-T454 PolarHBondContact NH1-OG1 2.83Å; R33-T454 VanDerWaalsContact NH2-CG2 3.28Å; V450-T454 HydrophobicContact CG1-CG2 4.14Å; V450-T454 WeakPolarHBondContact O-CB 3.44Å; V450-T454 WeakPolarHBondContact O-CG2 3.48Å; V450-T454 PolarHBondContact O-N 2.91Å; V450-T454 PolarHBondContact O-OG1 2.66Å; Y451-T454 WeakPolarHBondContact CA-OG1 3.49Å; Y451-T454 PolarHBondContact O-N 2.78Å; Y451-T454 PolarHBondContact O-OG1 3.5Å; T454-T456 PolarHBondContact O-N 2.91Å
455D75Confident83.2Confident15 Ų1532.9 Ų32.98%0.0818%0.177CC..  trans-77.5117.7-180-170.11.8000111.7H431 Y451 A457H431-D455 IonicContact CD2-OD1 2.6Å; H431-D455 IonicContact CD2-OD2 3.42Å; H431-D455 PolarHBondContact CD2-OD2 3.07Å; H431-D455 IonicContact CG-OD2 2.67Å; H431-D455 IonicContact NE2-OD1 3.13Å; H431-D455 IonicContact NE2-OD2 2.67Å; Y451-D455 HydrophobicContact CD2-CB 4.12Å; Y451-D455 HydrophobicContact CE2-CB 3.57Å; Y451-D455 WeakPolarHBondContact CE2-OD2 3.36Å; Y451-D455 VanDerWaalsContact CZ-OD2 3.26Å; Y451-D455 PolarHBondContact O-N 3.38Å; Y451-D455 PolarHBondContact OH-OD2 2.99Å; D455-A457 PolarHBondContact OD1-N 3.31Å
456T67.6Low83.3Confident69 Ų6932.5 Ų32.542%0.42318%0.175SC..SBendtrans-94.6-10.6-179.2590000113.2M1 R4 T454M1-T456 WeakPolarHBondContact CB-OG1 3.47Å; M1-T456 PolarHBondContact O-OG1 3.18Å; R4-T456 HydrophobicContact CB-CG2 3.92Å; T454-T456 PolarHBondContact O-N 2.91Å
457A67.9Low83.4Confident53 Ų5331.7 Ų31.744%0.43817%0.172SC..SBendtrans-87.6-9.6-177.300000113D455D455-A457 PolarHBondContact OD1-N 3.31Å
458R70.2Confident83.4Confident52 Ų5232.6 Ų32.620%0.19618%0.177CC..  trans-71.9135.6177.1-73.8-179.4-58.8145.712.1111.9C452 S460C452-R458 PolarHBondContact O-NH2 2.8Å; R458-S460 WeakPolarHBondContact CB-O 3.3Å
459T61.7Low83.4Confident132 Ų13232.7 Ų32.781%0.8118%0.177SC*.SBendtrans-81.5-26.5170.749.80000112.2
460S71.5Confident83.3Confident29 Ų2932 Ų3220%0.20318%0.175CC..SBendtrans-129.6157.4-178.265.30000112.8R458R458-S460 WeakPolarHBondContact CB-O 3.3Å
461E79.2Confident83.2Confident153 Ų15338.3 Ų38.372%0.71521%0.208SC*.PPolyproline II helixtrans-62.3142.5170.4-65.3-174.9174.800110.8
462L86.6Confident83.3Confident1 Ų138.4 Ų38.41%0.00521%0.209CC..PPolyproline II helixtrans-81.3123.4175.5171.970.9000107.5P432 A435 L448 Y451 I464P432-L462 VanDerWaalsContact O-CD1 3.31Å; P432-L462 WeakPolarHBondContact O-CD1 3.37Å; A435-L462 HydrophobicContact CB-CD1 4.1Å; A435-L462 HydrophobicContact CB-CD2 4.45Å; L448-L462 HydrophobicContact CD2-CD2 4.15Å; Y451-L462 HydrophobicContact CD1-CD2 3.67Å; Y451-L462 HydrophobicContact CE1-CD2 3.93Å; L462-I464 HydrophobicContact CD2-CG1 4.14Å; L462-I464 HydrophobicContact CG-CG1 4.15Å
463R88.9Confident83.3Confident73 Ų7338.7 Ų38.728%0.27521%0.209SC..EExtended strand (participates in β ladder)trans-87.1125.8169.6-66.2-168.4-70.3171.1-7.8110.2E349 C433 S434 A435 F465E349-R463 IonicContact OE1-NH1 3.02Å; E349-R463 PolarHBondContact OE1-NH1 3.15Å; C433-R463 PolarHBondContact O-N 3.11Å; S434-R463 CarbonylContact C-O 3.53Å; S434-R463 WeakPolarHBondContact CA-O 3.35Å; A435-R463 PolarHBondContact N-O 3.38Å; R463-F465 HydrophobicContact CB-CE2 3.73Å; R463-F465 HydrophobicContact CB-CZ 4.11Å
464I92.1Very high83.4Confident2 Ų237 Ų371%0.0120%0.2CC..EExtended strand (participates in β ladder)trans-108.9119.6179-56.5169.3000108.3V199 E200 A435 I437 L448 C452 L462V199-I464 HydrophobicContact CG1-CB 4.43Å; V199-I464 HydrophobicContact CG1-CG2 4Å; V199-I464 HydrophobicContact CG2-CB 4.31Å; V199-I464 HydrophobicContact CG2-CD1 4.27Å; V199-I464 HydrophobicContact CG2-CG2 4.3Å; E200-I464 PolarHBondContact N-O 3.1Å; A435-I464 WeakPolarHBondContact O-CA 3.35Å; I437-I464 HydrophobicContact CD1-CG2 4.26Å; L448-I464 HydrophobicContact CB-CD1 3.69Å; L448-I464 HydrophobicContact CB-CG1 4.29Å; L448-I464 HydrophobicContact CD1-CG2 4.24Å; C452-I464 VanDerWaalsContact SG-CD1 3.55Å; L462-I464 HydrophobicContact CD2-CG1 4.14Å; L462-I464 HydrophobicContact CG-CG1 4.15Å
465F93.4Very high83.8Confident0 Ų039 Ų390%021%0.209CC..EExtended strand (participates in β ladder)trans-106.3124.1174.9-59.7-87.8000109.5E200 F202 I346 I350 A435 I436 I437 R463E200-F465 HydrophobicContact CB-CD1 4.12Å; E200-F465 HydrophobicContact CB-CE1 4.46Å; E200-F465 WeakPolarHBondContact OE2-CE1 3.43Å; F202-F465 HydrophobicContact CD2-CD1 4.23Å; F202-F465 AromaticContact CE2-CD1 3.64Å; F202-F465 HydrophobicContact CE2-CD1 3.64Å; F202-F465 HydrophobicContact CE2-CE1 4.17Å; F202-F465 HydrophobicContact CZ-CD1 4.42Å; I346-F465 HydrophobicContact CD1-CB 4.28Å; I346-F465 HydrophobicContact CD1-CD1 4.39Å; I346-F465 HydrophobicContact CG1-CD1 4.15Å; I346-F465 HydrophobicContact CG2-CB 4.23Å; I346-F465 HydrophobicContact CG2-CD1 3.66Å; I346-F465 HydrophobicContact CG2-CD2 3.84Å; I346-F465 HydrophobicContact CG2-CE1 3.89Å; I346-F465 HydrophobicContact CG2-CE2 4.07Å; I346-F465 HydrophobicContact CG2-CG 3.63Å; I346-F465 HydrophobicContact CG2-CZ 4.09Å; I350-F465 HydrophobicContact CD1-CD2 4.18Å; I350-F465 HydrophobicContact CD1-CE2 3.63Å; I350-F465 HydrophobicContact CD1-CZ 4.19Å; I350-F465 HydrophobicContact CG1-CE2 3.86Å; I350-F465 HydrophobicContact CG1-CZ 4Å; A435-F465 PolarHBondContact O-N 2.82Å; I436-F465 WeakPolarHBondContact CA-O 3.27Å; I436-F465 HydrophobicContact CG1-CB 4.2Å; I436-F465 HydrophobicContact CG1-CD2 4.11Å; I436-F465 HydrophobicContact CG1-CG 4.48Å; I436-F465 HydrophobicContact CG2-CB 4.4Å; I437-F465 PolarHBondContact N-O 3.26Å; R463-F465 HydrophobicContact CB-CE2 3.73Å; R463-F465 HydrophobicContact CB-CZ 4.11Å
466F93.8Very high84.4Confident4 Ų442.2 Ų42.22%0.01822%0.224CC..EExtended strand (participates in β ladder)trans-114.4109.6-178.7179.4-105.8000110.6V199 E200 E201 F202 I437 A440 M468 Y478V199-F466 HydrophobicContact CG1-CB 3.73Å; E200-F466 PolarHBondContact O-N 3.46Å; E201-F466 HydrophobicContact CG-CD1 4.15Å; F202-F466 PolarHBondContact N-O 2.82Å; I437-F466 HydrophobicContact CB-CD2 3.99Å; I437-F466 HydrophobicContact CD1-CD2 4.07Å; I437-F466 HydrophobicContact CG2-CD2 3.9Å; I437-F466 HydrophobicContact CG2-CE2 4.16Å; A440-F466 HydrophobicContact CB-CE2 4.01Å; A440-F466 HydrophobicContact CB-CZ 3.72Å; F466-M468 HydrophobicContact CD1-CB 4.49Å; F466-M468 HydrophobicContact CE1-CB 3.9Å; F466-M468 HydrophobicContact CE1-CE 4.32Å; F466-M468 HydrophobicContact CE1-SD 4.04Å; F466-M468 HydrophobicContact CZ-CB 4.43Å; F466-M468 HydrophobicContact CZ-SD 4.27Å; F466-Y478 HydrophobicContact CZ-CE1 4.26Å; F466-Y478 HydrophobicContact CZ-CE2 4.3Å
467L93.4Very high85.4Confident0 Ų042.1 Ų42.10%022%0.216CC..EExtended strand (participates in β ladder)trans-95.3130.5178.6-70.777.9000110.4F202 K339 A342 I346 I436 I437F202-L467 HydrophobicContact CB-CG 4.21Å; K339-L467 HydrophobicContact CB-CD2 4.48Å; K339-L467 HydrophobicContact CG-CD2 4.31Å; A342-L467 HydrophobicContact CB-CD2 4.11Å; I346-L467 HydrophobicContact CD1-CD1 3.66Å; I346-L467 HydrophobicContact CD1-CD2 4.33Å; I346-L467 HydrophobicContact CD1-CG 4.16Å; I436-L467 HydrophobicContact CG2-CD1 3.48Å; I436-L467 VanDerWaalsContact CG2-CD1 3.48Å; I437-L467 PolarHBondContact O-N 2.88Å
468M92.1Very high86.4Confident20 Ų2041.3 Ų41.310%0.09920%0.202CC..EExtended strand (participates in β ladder)trans-143137.6175.1-171.8168.964.300110.8F202 V204 F466 E475 Y478F202-M468 PolarHBondContact O-N 3.22Å; V204-M468 PolarHBondContact N-O 3.49Å; F466-M468 HydrophobicContact CD1-CB 4.49Å; F466-M468 HydrophobicContact CE1-CB 3.9Å; F466-M468 HydrophobicContact CE1-CE 4.32Å; F466-M468 HydrophobicContact CE1-SD 4.04Å; F466-M468 HydrophobicContact CZ-CB 4.43Å; F466-M468 HydrophobicContact CZ-SD 4.27Å; M468-E475 HydrophobicContact CE-CB 4.49Å; M468-E475 HydrophobicContact CE-CG 3.99Å; M468-E475 HydrophobicContact CG-CB 4.24Å; M468-E475 HydrophobicContact SD-CB 4Å; M468-E475 HydrophobicContact SD-CG 4Å; M468-Y478 HydrophobicContact SD-CD1 3.98Å; M468-Y478 HydrophobicContact SD-CG 4.45Å
469Y91.5Very high87.4Confident2 Ų243.1 Ų43.11%0.00822%0.215CC..EExtended strand (participates in β ladder)trans-75.7124.6171-78.8-61.5000110.9V204 M206 K339 S472 E474V204-Y469 HydrophobicContact CB-CD1 3.95Å; V204-Y469 HydrophobicContact CB-CE1 4.11Å; V204-Y469 HydrophobicContact CG1-CD1 3.89Å; V204-Y469 HydrophobicContact CG1-CE1 3.59Å; V204-Y469 VanDerWaalsContact O-CA 3.29Å; V204-Y469 WeakPolarHBondContact O-CA 3.4Å; V204-Y469 WeakPolarHBondContact O-CD1 3.42Å; M206-Y469 HydrophobicContact CE-CD2 4.33Å; M206-Y469 HydrophobicContact CE-CE2 4.47Å; M206-Y469 HydrophobicContact CE-CG 4.48Å; M206-Y469 HydrophobicContact CG-CD1 3.49Å; M206-Y469 VanDerWaalsContact CG-CD1 3.49Å; M206-Y469 HydrophobicContact CG-CE1 3.9Å; M206-Y469 HydrophobicContact CG-CG 3.89Å; K339-Y469 HydrophobicContact CD-CD2 4.09Å; K339-Y469 HydrophobicContact CD-CE2 3.51Å; K339-Y469 HydrophobicContact CG-CE1 3.97Å; K339-Y469 HydrophobicContact CG-CE2 3.86Å; Y469-S472 VanDerWaalsContact CB-OG 3.3Å; Y469-S472 WeakPolarHBondContact CB-OG 3.36Å; Y469-S472 PolarHBondContact O-OG 3.5Å; Y469-E474 WeakPolarHBondContact CD2-OE2 3.29Å; Y469-E474 PolarHBondContact N-OE2 3.34Å
470T89.4Confident88.6Confident12 Ų1240.6 Ų40.67%0.07419%0.192CC..THydrogen-bonded Turntrans-79.2142.6178.353.40000112.8E203 V204 S472E203-T470 HydrophobicContact CB-CG2 3.5Å; E203-T470 HydrophobicContact CG-CG2 3.55Å; V204-T470 PolarHBondContact O-N 2.87Å; T470-S472 PolarHBondContact O-N 2.84Å
471N88.4Confident89.3Confident131 Ų13140.8 Ų40.870%0.70119%0.194SC*.THydrogen-bonded Turntrans52.641.2-174.4-60.8-60.8000112.6E475N471-E475 WeakPolarHBondContact CA-OE2 3.35Å; N471-E475 PolarHBondContact N-OE2 3.02Å
472S89.7Confident89.9Confident2 Ų236 Ų361%0.01418%0.175CC..SBendtrans-117.6166.4-178.373.80000112.3Y469 T470 E474 E475 E476Y469-S472 VanDerWaalsContact CB-OG 3.3Å; Y469-S472 WeakPolarHBondContact CB-OG 3.36Å; Y469-S472 PolarHBondContact O-OG 3.5Å; T470-S472 PolarHBondContact O-N 2.84Å; S472-E474 PolarHBondContact O-N 2.87Å; S472-E474 WeakPolarHBondContact OG-CB 3.48Å; S472-E474 PolarHBondContact OG-N 3.36Å; S472-E475 PolarHBondContact O-N 3.04Å; S472-E475 PolarHBondContact OG-N 3.36Å; S472-E476 PolarHBondContact O-N 3.3Å
473M87.9Confident90Very high19 Ų1938.9 Ų38.99%0.09420%0.195CC..Hα-helixtrans-67-19.5170.5-66.3-165.4-59.800112.7E214 R218 I285 R477E214-M473 HydrophobicContact CG-CE 3.63Å; E214-M473 HydrophobicContact CG-CG 4.17Å; E214-M473 HydrophobicContact CG-SD 4.48Å; E214-M473 WeakPolarHBondContact OE1-CB 3.44Å; E214-M473 WeakPolarHBondContact OE1-CG 3.49Å; E214-M473 PolarHBondContact OE1-N 2.95Å; R218-M473 HydrophobicContact CB-SD 3.94Å; R218-M473 HydrophobicContact CG-SD 4.12Å; I285-M473 HydrophobicContact CB-CE 4.21Å; I285-M473 HydrophobicContact CD1-CE 3.46Å; I285-M473 VanDerWaalsContact CD1-CE 3.46Å; I285-M473 HydrophobicContact CD1-SD 4.35Å; I285-M473 HydrophobicContact CG1-CE 3.52Å; I285-M473 HydrophobicContact CG2-CE 3.63Å; M473-R477 WeakPolarHBondContact O-CB 3.25Å; M473-R477 WeakPolarHBondContact O-CG 3.32Å; M473-R477 PolarHBondContact O-N 3.18Å; M473-R477 VanDerWaalsContact O-N 3.16Å; M473-R477 PolarHBondContact O-NE 3.06Å
474E88.9Confident90Very high7 Ų739 Ų393%0.03320%0.199CC..Hα-helixtrans-66.1-50.5170-175.3178-149.100110.4E289 K339 N439 A440 Y469 S472 R477 Y478E289-E474 PolarHBondContact OE1-N 3.43Å; K339-E474 VanDerWaalsContact NZ-CD 3.26Å; K339-E474 IonicContact NZ-OE1 3.7Å; K339-E474 PolarHBondContact NZ-OE1 2.99Å; K339-E474 IonicContact NZ-OE2 3.16Å; K339-E474 PolarHBondContact NZ-OE2 3.18Å; N439-E474 WeakPolarHBondContact CA-OE1 3.29Å; N439-E474 PolarHBondContact ND2-OE1 3.03Å; A440-E474 HydrophobicContact CB-CG 4.26Å; A440-E474 PolarHBondContact N-OE1 2.99Å; Y469-E474 WeakPolarHBondContact CD2-OE2 3.29Å; Y469-E474 PolarHBondContact N-OE2 3.34Å; S472-E474 PolarHBondContact O-N 2.87Å; S472-E474 WeakPolarHBondContact OG-CB 3.48Å; S472-E474 PolarHBondContact OG-N 3.36Å; E474-R477 PolarHBondContact O-N 3.28Å; E474-Y478 PolarHBondContact O-N 3.42Å
475E90.4Very high89.9Confident42 Ų4239.5 Ų39.520%0.19620%0.201CC..Hα-helixtrans-62.2-48.1178179-179.9-163.200111.5M468 N471 S472 R477 Y478 L479M468-E475 HydrophobicContact CE-CB 4.49Å; M468-E475 HydrophobicContact CE-CG 3.99Å; M468-E475 HydrophobicContact CG-CB 4.24Å; M468-E475 HydrophobicContact SD-CB 4Å; M468-E475 HydrophobicContact SD-CG 4Å; N471-E475 WeakPolarHBondContact CA-OE2 3.35Å; N471-E475 PolarHBondContact N-OE2 3.02Å; S472-E475 PolarHBondContact O-N 3.04Å; S472-E475 PolarHBondContact OG-N 3.36Å; E475-R477 VanDerWaalsContact C-N 3.28Å; E475-R477 PolarHBondContact O-N 3.04Å; E475-Y478 WeakPolarHBondContact O-CB 3.39Å; E475-Y478 PolarHBondContact O-N 3.49Å; E475-Y478 VanDerWaalsContact O-N 3.1Å; E475-L479 HydrophobicContact CG-CD1 3.82Å; E475-L479 HydrophobicContact CG-CG 4.19Å; E475-L479 WeakPolarHBondContact O-CG 3.47Å; E475-L479 PolarHBondContact O-N 3.15Å
476E88.6Confident89.9Confident84 Ų8446.9 Ų46.939%0.39323%0.229SC..Hα-helixtrans-56.5-43.1177.3-72.5-175.4-177.900111.5R218 S472 K480R218-E476 IonicContact CZ-OE1 3.37Å; R218-E476 IonicContact CZ-OE2 3.47Å; R218-E476 IonicContact NH1-OE1 2.77Å; R218-E476 PolarHBondContact NH1-OE1 3.48Å; R218-E476 IonicContact NH1-OE2 3.5Å; R218-E476 IonicContact NH2-OE1 3.08Å; R218-E476 PolarHBondContact NH2-OE1 2.85Å; R218-E476 VanDerWaalsContact NH2-OE1 3.08Å; R218-E476 IonicContact NH2-OE2 3Å; R218-E476 PolarHBondContact NH2-OE2 3.17Å; S472-E476 PolarHBondContact O-N 3.3Å; E476-K480 WeakPolarHBondContact O-CB 3.36Å; E476-K480 PolarHBondContact O-N 3.23Å
477R88Confident89.8Confident66 Ų6650.8 Ų50.825%0.24925%0.253CS..Hα-helixtrans-65.5-40.6177.3-77.2-178.8-59.4156.310.2111.9N286 E289 M473 E474 E475 S481N286-R477 PolarHBondContact OD1-NH1 3.15Å; E289-R477 IonicContact OE1-CZ 2.67Å; E289-R477 IonicContact OE1-NH2 3.01Å; E289-R477 PolarHBondContact OE1-NH2 3.44Å; E289-R477 IonicContact OE2-CZ 2.7Å; E289-R477 IonicContact OE2-NH1 3.02Å; E289-R477 IonicContact OE2-NH2 3.48Å; E289-R477 PolarHBondContact OE2-NH2 3.38Å; M473-R477 WeakPolarHBondContact O-CB 3.25Å; M473-R477 WeakPolarHBondContact O-CG 3.32Å; M473-R477 PolarHBondContact O-N 3.18Å; M473-R477 VanDerWaalsContact O-N 3.16Å; M473-R477 PolarHBondContact O-NE 3.06Å; E474-R477 PolarHBondContact O-N 3.28Å; E475-R477 VanDerWaalsContact C-N 3.28Å; E475-R477 PolarHBondContact O-N 3.04Å; R477-S481 PolarHBondContact O-N 3.4Å
478Y89Confident89.7Confident36 Ų3651.1 Ų51.114%0.14126%0.255CS..Hα-helixtrans-63.6-54.8177.8176.7-107.1000111.3A440 L442 L445 F466 M468 E474 E475 K480 S481 V482A440-Y478 HydrophobicContact CB-CD2 3.87Å; A440-Y478 HydrophobicContact CB-CG 4.02Å; L442-Y478 HydrophobicContact CB-CE2 4.23Å; L442-Y478 HydrophobicContact CD1-CE2 4.21Å; L445-Y478 WeakPolarHBondContact CD2-OH 3.32Å; F466-Y478 HydrophobicContact CZ-CE1 4.26Å; F466-Y478 HydrophobicContact CZ-CE2 4.3Å; M468-Y478 HydrophobicContact SD-CD1 3.98Å; M468-Y478 HydrophobicContact SD-CG 4.45Å; E474-Y478 PolarHBondContact O-N 3.42Å; E475-Y478 WeakPolarHBondContact O-CB 3.39Å; E475-Y478 PolarHBondContact O-N 3.49Å; E475-Y478 VanDerWaalsContact O-N 3.1Å; Y478-K480 VanDerWaalsContact C-N 3.26Å; Y478-K480 PolarHBondContact O-N 3.04Å; Y478-S481 WeakPolarHBondContact O-CB 3.47Å; Y478-S481 PolarHBondContact O-N 3.2Å; Y478-V482 HydrophobicContact CE1-CG2 4.36Å; Y478-V482 HydrophobicContact CE2-CG2 4.42Å; Y478-V482 PolarHBondContact O-N 2.81Å; Y478-V482 VanDerWaalsContact O-N 3.08Å
479L90.8Very high89.8Confident91 Ų9150.1 Ų50.148%0.47625%0.25SS..Hα-helixtrans-59.6-37.5178.5-66177.2000112E475 V482 S483E475-L479 HydrophobicContact CG-CD1 3.82Å; E475-L479 HydrophobicContact CG-CG 4.19Å; E475-L479 WeakPolarHBondContact O-CG 3.47Å; E475-L479 PolarHBondContact O-N 3.15Å; L479-V482 PolarHBondContact O-N 3.01Å; L479-S483 PolarHBondContact O-N 3.18Å; L479-S483 PolarHBondContact O-OG 3.48Å
480K86.8Confident89.8Confident78 Ų7853.5 Ų53.534%0.33927%0.266SS..Hα-helixtrans-65.7-40.5174.7-170.1168.1-172.2175.50112.3D244 E476 Y478 V482 S483 Q484D244-K480 HydrophobicContact CB-CD 3.72Å; D244-K480 IonicContact OD2-NZ 3.72Å; D244-K480 PolarHBondContact OD2-NZ 3.34Å; E476-K480 WeakPolarHBondContact O-CB 3.36Å; E476-K480 PolarHBondContact O-N 3.23Å; Y478-K480 VanDerWaalsContact C-N 3.26Å; Y478-K480 PolarHBondContact O-N 3.04Å; K480-V482 VanDerWaalsContact C-N 3.29Å; K480-V482 PolarHBondContact O-N 3.5Å; K480-S483 WeakPolarHBondContact CA-OG 3.48Å; K480-S483 PolarHBondContact O-OG 2.72Å; K480-S483 VanDerWaalsContact O-OG 3.05Å; K480-Q484 WeakPolarHBondContact O-CB 3.25Å; K480-Q484 PolarHBondContact O-N 3.3Å
481S87.1Confident89.9Confident33 Ų3356.2 Ų56.223%0.23128%0.278CS..Hα-helixtrans-62.6-38.5175.6-176.90000111.8R477 Y478 E485R477-S481 PolarHBondContact O-N 3.4Å; Y478-S481 WeakPolarHBondContact O-CB 3.47Å; Y478-S481 PolarHBondContact O-N 3.2Å; S481-E485 WeakPolarHBondContact O-CB 3.32Å; S481-E485 PolarHBondContact O-N 3.14Å; S481-E485 VanDerWaalsContact O-N 3.14Å
482V90Very high90.2Very high52 Ų5250 Ų5032%0.31525%0.245SC..Hα-helixtrans-66.7-52.3177.5175.60000111.1L442 Y478 L479 K480 Q484 E485 R486L442-V482 HydrophobicContact CD1-CG2 3.77Å; L442-V482 HydrophobicContact CD2-CG2 4.14Å; Y478-V482 HydrophobicContact CE1-CG2 4.36Å; Y478-V482 HydrophobicContact CE2-CG2 4.42Å; Y478-V482 PolarHBondContact O-N 2.81Å; Y478-V482 VanDerWaalsContact O-N 3.08Å; L479-V482 PolarHBondContact O-N 3.01Å; K480-V482 VanDerWaalsContact C-N 3.29Å; K480-V482 PolarHBondContact O-N 3.5Å; V482-Q484 PolarHBondContact O-N 2.78Å; V482-E485 PolarHBondContact O-N 2.86Å; V482-R486 PolarHBondContact O-N 3.35Å; V482-R486 VanDerWaalsContact O-N 3.14Å
483S90.7Very high90.3Very high62 Ų6253 Ų5343%0.43426%0.258SS..Hα-helixtrans-62.8-40.2179.454.60000112.5L479 K480 E485 R486 V487L479-S483 PolarHBondContact O-N 3.18Å; L479-S483 PolarHBondContact O-OG 3.48Å; K480-S483 WeakPolarHBondContact CA-OG 3.48Å; K480-S483 PolarHBondContact O-OG 2.72Å; K480-S483 VanDerWaalsContact O-OG 3.05Å; S483-E485 PolarHBondContact O-N 3.07Å; S483-R486 WeakPolarHBondContact O-CB 3.3Å; S483-R486 PolarHBondContact O-N 2.81Å; S483-V487 WeakPolarHBondContact O-CG2 3.46Å; S483-V487 PolarHBondContact O-N 3.18Å
484Q87.6Confident90.4Very high76 Ų7659.3 Ų59.336%0.35529%0.285SS..Hα-helixtrans-62.9-42.2177-175.9174.324.400111.7L158 K480 V482 R486 V487 C488L158-Q484 HydrophobicContact CD1-CG 4.46Å; K480-Q484 WeakPolarHBondContact O-CB 3.25Å; K480-Q484 PolarHBondContact O-N 3.3Å; V482-Q484 PolarHBondContact O-N 2.78Å; Q484-R486 VanDerWaalsContact C-N 3.32Å; Q484-R486 PolarHBondContact O-N 3.34Å; Q484-V487 PolarHBondContact O-N 3.42Å; Q484-C488 WeakPolarHBondContact O-CB 3.46Å; Q484-C488 PolarHBondContact O-N 2.96Å; Q484-C488 PolarHBondContact O-SG 3.43Å
485E90.8Very high90.3Very high13 Ų1360.5 Ų60.56%0.06129%0.29CS..Hα-helixtrans-60.5-44.4176.3-171.5-176.785.200111.1K27 P157 R446 S481 V482 S483 C488 F489K27-E485 WeakPolarHBondContact CB-OE2 3.43Å; K27-E485 PolarHBondContact N-OE2 3.11Å; P157-E485 HydrophobicContact CG-CG 4.17Å; R446-E485 IonicContact CZ-OE1 3.15Å; R446-E485 VanDerWaalsContact NH1-CD 3.31Å; R446-E485 IonicContact NH1-OE1 2.76Å; R446-E485 PolarHBondContact NH1-OE1 3.46Å; R446-E485 IonicContact NH1-OE2 3.37Å; R446-E485 PolarHBondContact NH1-OE2 3.05Å; R446-E485 VanDerWaalsContact NH1-OE2 3.12Å; R446-E485 IonicContact NH2-OE1 3.95Å; R446-E485 PolarHBondContact NH2-OE1 3.46Å; S481-E485 WeakPolarHBondContact O-CB 3.32Å; S481-E485 PolarHBondContact O-N 3.14Å; S481-E485 VanDerWaalsContact O-N 3.14Å; V482-E485 PolarHBondContact O-N 2.86Å; S483-E485 PolarHBondContact O-N 3.07Å; E485-C488 WeakPolarHBondContact O-CB 3.24Å; E485-C488 PolarHBondContact O-N 3.49Å; E485-F489 HydrophobicContact CG-CD2 3.97Å; E485-F489 HydrophobicContact CG-CE2 3.81Å; E485-F489 WeakPolarHBondContact O-CD2 3.34Å; E485-F489 PolarHBondContact O-N 2.95Å
486R91.9Very high90.1Very high155 Ų15562 Ų6259%0.58530%0.297SS*.Hα-helixtrans-58.6-51.7176.5178.5178.5170.31660.9112.1F185 V482 S483 Q484 C488 F489 E490F185-R486 HydrophobicContact CE1-CG 4.31Å; V482-R486 PolarHBondContact O-N 3.35Å; V482-R486 VanDerWaalsContact O-N 3.14Å; S483-R486 WeakPolarHBondContact O-CB 3.3Å; S483-R486 PolarHBondContact O-N 2.81Å; Q484-R486 VanDerWaalsContact C-N 3.32Å; Q484-R486 PolarHBondContact O-N 3.34Å; R486-C488 PolarHBondContact O-N 2.97Å; R486-F489 PolarHBondContact O-N 3.03Å; R486-F489 VanDerWaalsContact O-N 3.15Å; R486-E490 WeakPolarHBondContact CG-OE1 3.26Å; R486-E490 IonicContact CZ-OE1 3.72Å; R486-E490 IonicContact NE-OE1 2.9Å; R486-E490 PolarHBondContact NE-OE1 3.48Å; R486-E490 IonicContact NH2-OE1 3.61Å; R486-E490 WeakPolarHBondContact O-CG 3.32Å; R486-E490 PolarHBondContact O-N 2.87Å
487V92Very high90Very high85 Ų8565.5 Ų65.552%0.51532%0.318SS..Hα-helixtrans-59.8-38178.6173.30000111.2S483 Q484 E490 Q491S483-V487 WeakPolarHBondContact O-CG2 3.46Å; S483-V487 PolarHBondContact O-N 3.18Å; Q484-V487 PolarHBondContact O-N 3.42Å; V487-E490 PolarHBondContact O-N 3.34Å; V487-Q491 PolarHBondContact O-N 3.14Å
488C91.8Very high89.6Confident7 Ų765.9 Ų65.95%0.04734%0.335CS..Hα-helixtrans-61.3-47175.8-68.90000111.5P157 L158 A161 Q484 E485 R486 Q491 L492P157-C488 HydrophobicContact CB-CB 4.29Å; L158-C488 VanDerWaalsContact CD1-SG 3.53Å; A161-C488 HydrophobicContact CB-CB 3.98Å; Q484-C488 WeakPolarHBondContact O-CB 3.46Å; Q484-C488 PolarHBondContact O-N 2.96Å; Q484-C488 PolarHBondContact O-SG 3.43Å; E485-C488 WeakPolarHBondContact O-CB 3.24Å; E485-C488 PolarHBondContact O-N 3.49Å; R486-C488 PolarHBondContact O-N 2.97Å; C488-Q491 PolarHBondContact O-N 3.33Å; C488-L492 VanDerWaalsContact O-CG 3.24Å; C488-L492 WeakPolarHBondContact O-CG 3.49Å; C488-L492 PolarHBondContact O-N 3.38Å
489F94.4Very high89.1Confident0 Ų065.7 Ų65.70%034%0.336CS..Hα-helixtrans-65.3-41.8177.6-83.3-71.1000112.5I24 P157 F181 P183 F185 E485 R486 Q491 L492 F493I24-F489 HydrophobicContact CG2-CE1 4.07Å; I24-F489 HydrophobicContact CG2-CZ 4.32Å; P157-F489 HydrophobicContact CB-CD2 4.39Å; P157-F489 HydrophobicContact CB-CE1 4.27Å; P157-F489 HydrophobicContact CB-CE2 3.96Å; P157-F489 HydrophobicContact CB-CZ 3.88Å; P157-F489 HydrophobicContact CG-CD2 4.41Å; P157-F489 HydrophobicContact CG-CE2 3.77Å; P157-F489 HydrophobicContact CG-CZ 4.01Å; F181-F489 HydrophobicContact CB-CD1 4.3Å; F181-F489 HydrophobicContact CB-CE1 4.22Å; F181-F489 HydrophobicContact CD1-CD1 4.25Å; F181-F489 HydrophobicContact CD1-CE1 4.14Å; P183-F489 HydrophobicContact CB-CB 4.42Å; P183-F489 HydrophobicContact CB-CD1 3.99Å; P183-F489 HydrophobicContact CB-CD2 3.78Å; P183-F489 HydrophobicContact CB-CE1 4.16Å; P183-F489 HydrophobicContact CB-CE2 3.95Å; P183-F489 HydrophobicContact CB-CG 3.81Å; P183-F489 HydrophobicContact CB-CZ 4.15Å; P183-F489 HydrophobicContact CG-CD1 4.37Å; P183-F489 HydrophobicContact CG-CG 4.5Å; F185-F489 HydrophobicContact CE1-CB 4.13Å; F185-F489 HydrophobicContact CZ-CB 3.78Å; F185-F489 HydrophobicContact CZ-CG 4.49Å; E485-F489 HydrophobicContact CG-CD2 3.97Å; E485-F489 HydrophobicContact CG-CE2 3.81Å; E485-F489 WeakPolarHBondContact O-CD2 3.34Å; E485-F489 PolarHBondContact O-N 2.95Å; R486-F489 PolarHBondContact O-N 3.03Å; R486-F489 VanDerWaalsContact O-N 3.15Å; F489-Q491 PolarHBondContact O-N 3.06Å; F489-L492 HydrophobicContact CD1-CD1 4.34Å; F489-L492 PolarHBondContact O-N 3.3Å; F489-L492 VanDerWaalsContact O-N 3.09Å; F489-F493 HydrophobicContact CB-CD2 4.45Å; F489-F493 HydrophobicContact CB-CE2 4.17Å; F489-F493 WeakPolarHBondContact O-CD2 3.4Å; F489-F493 PolarHBondContact O-N 2.67Å
490E92.4Very high88.2Confident73 Ų7365.9 Ų65.934%0.34134%0.341SS..Hα-helixtrans-58.6-37.5175.2-71.3176.1-171.700112R486 V487 K494R486-E490 WeakPolarHBondContact CG-OE1 3.26Å; R486-E490 IonicContact CZ-OE1 3.72Å; R486-E490 IonicContact NE-OE1 2.9Å; R486-E490 PolarHBondContact NE-OE1 3.48Å; R486-E490 IonicContact NH2-OE1 3.61Å; R486-E490 WeakPolarHBondContact O-CG 3.32Å; R486-E490 PolarHBondContact O-N 2.87Å; V487-E490 PolarHBondContact O-N 3.34Å; E490-K494 WeakPolarHBondContact O-CG 3.31Å; E490-K494 PolarHBondContact O-N 2.87Å
491Q91.1Very high87.1Confident69 Ų6964.5 Ų64.532%0.32234%0.337SS..Hα-helixtrans-69.4-42.3173.4-170.2-173.2-24.100112A161 V487 C488 F489 F493 K494 E495A161-Q491 PolarHBondContact O-NE2 3Å; A161-Q491 PolarHBondContact O-OE1 3.08Å; V487-Q491 PolarHBondContact O-N 3.14Å; C488-Q491 PolarHBondContact O-N 3.33Å; F489-Q491 PolarHBondContact O-N 3.06Å; Q491-F493 PolarHBondContact O-N 3.48Å; Q491-K494 WeakPolarHBondContact O-CB 3.5Å; Q491-K494 PolarHBondContact O-N 3.29Å; Q491-K494 VanDerWaalsContact O-N 3.17Å; Q491-E495 PolarHBondContact NE2-OE1 2.94Å; Q491-E495 VanDerWaalsContact NE2-OE1 3.15Å; Q491-E495 PolarHBondContact O-N 2.84Å
492L93.4Very high85.6Confident0 Ų067.4 Ų67.40%035%0.354CS..Hα-helixtrans-63-40.8179.5-71.9170.2000112.4I24 P157 F160 A161 L167 F181 C488 F489 K494 E495 E496I24-L492 HydrophobicContact CG2-CD1 4.38Å; P157-L492 HydrophobicContact CB-CD1 3.81Å; F160-L492 HydrophobicContact CB-CD2 3.7Å; A161-L492 HydrophobicContact CB-CD2 4.3Å; A161-L492 HydrophobicContact CB-CG 4.2Å; L167-L492 HydrophobicContact CB-CD2 4.44Å; L167-L492 HydrophobicContact CD1-CD2 4.07Å; L167-L492 HydrophobicContact CD2-CD2 4.12Å; L167-L492 HydrophobicContact CG-CD2 4.44Å; F181-L492 HydrophobicContact CD1-CB 4.35Å; F181-L492 HydrophobicContact CD1-CD1 4.4Å; F181-L492 HydrophobicContact CE1-CB 3.68Å; F181-L492 HydrophobicContact CE1-CD1 3.96Å; F181-L492 HydrophobicContact CE1-CD2 4.41Å; F181-L492 HydrophobicContact CE1-CG 4.23Å; F181-L492 HydrophobicContact CE2-CB 4.45Å; F181-L492 HydrophobicContact CZ-CB 3.73Å; C488-L492 VanDerWaalsContact O-CG 3.24Å; C488-L492 WeakPolarHBondContact O-CG 3.49Å; C488-L492 PolarHBondContact O-N 3.38Å; F489-L492 HydrophobicContact CD1-CD1 4.34Å; F489-L492 PolarHBondContact O-N 3.3Å; F489-L492 VanDerWaalsContact O-N 3.09Å; L492-K494 VanDerWaalsContact C-N 3.31Å; L492-K494 PolarHBondContact O-N 3.28Å; L492-E495 PolarHBondContact O-N 3Å; L492-E496 WeakPolarHBondContact O-CB 3.43Å; L492-E496 PolarHBondContact O-N 3.16Å
493F92Very high83.6Confident64 Ų6472 Ų7228%0.28137%0.369SS..Hα-helixtrans-62.1-38.1173.7-73-60.7000112.2F181 P183 F185 F489 Q491 E496 L497F181-F493 HydrophobicContact CB-CE1 3.77Å; F181-F493 HydrophobicContact CB-CZ 3.8Å; F181-F493 AromaticContact CD2-CD1 3.67Å; F181-F493 HydrophobicContact CD2-CD1 3.67Å; F181-F493 AromaticContact CD2-CE1 3.52Å; F181-F493 HydrophobicContact CD2-CE1 3.52Å; F181-F493 HydrophobicContact CD2-CZ 4.3Å; F181-F493 HydrophobicContact CE2-CD1 4.22Å; F181-F493 HydrophobicContact CE2-CE1 4.48Å; F181-F493 HydrophobicContact CG-CD1 4.44Å; F181-F493 AromaticContact CG-CE1 3.98Å; F181-F493 HydrophobicContact CG-CE1 3.98Å; F181-F493 HydrophobicContact CG-CZ 4.33Å; P183-F493 HydrophobicContact CG-CE2 4.19Å; P183-F493 HydrophobicContact CG-CZ 4.05Å; F185-F493 HydrophobicContact CE2-CE2 4.14Å; F185-F493 HydrophobicContact CZ-CE2 4.21Å; F489-F493 HydrophobicContact CB-CD2 4.45Å; F489-F493 HydrophobicContact CB-CE2 4.17Å; F489-F493 WeakPolarHBondContact O-CD2 3.4Å; F489-F493 PolarHBondContact O-N 2.67Å; Q491-F493 PolarHBondContact O-N 3.48Å; F493-E496 PolarHBondContact O-N 3.02Å; F493-L497 WeakPolarHBondContact O-CG 3.43Å; F493-L497 PolarHBondContact O-N 3.48Å
494K89.9Confident81.5Confident153 Ų15374.2 Ų74.267%0.66538%0.376SS*.Hα-helixtrans-65.7-40.4174.9-70171.6-174.4175.70111.9E490 Q491 L492E490-K494 WeakPolarHBondContact O-CG 3.31Å; E490-K494 PolarHBondContact O-N 2.87Å; Q491-K494 WeakPolarHBondContact O-CB 3.5Å; Q491-K494 PolarHBondContact O-N 3.29Å; Q491-K494 VanDerWaalsContact O-N 3.17Å; L492-K494 VanDerWaalsContact C-N 3.31Å; L492-K494 PolarHBondContact O-N 3.28Å
495E87.7Confident79Confident32 Ų3275 Ų7515%0.1539%0.386CS..Hα-helixtrans-69.1-34.1176.4-74.6-172.9-16100112.5L167 Q491 L492 L497 A498 L499L167-E495 HydrophobicContact CD2-CB 4.18Å; Q491-E495 PolarHBondContact NE2-OE1 2.94Å; Q491-E495 VanDerWaalsContact NE2-OE1 3.15Å; Q491-E495 PolarHBondContact O-N 2.84Å; L492-E495 PolarHBondContact O-N 3Å; E495-L497 PolarHBondContact O-N 3.18Å; E495-A498 CarbonylContact O-C 3.51Å; E495-A498 PolarHBondContact O-N 3.07Å; E495-A498 VanDerWaalsContact O-N 3.14Å; E495-L499 WeakPolarHBondContact O-CB 3.42Å; E495-L499 PolarHBondContact O-N 2.85Å; E495-L499 VanDerWaalsContact O-N 3.14Å
496E87Confident76.3Confident72 Ų7280 Ų8034%0.33641%0.413SS..Hα-helixtrans-60.2-42.7175.2-168.7-168-179.100112.5F181 L492 F493 A498 L499F181-E496 WeakPolarHBondContact CD2-OE2 3.48Å; F181-E496 HydrophobicContact CE2-CB 3.84Å; F181-E496 HydrophobicContact CE2-CG 3.99Å; F181-E496 WeakPolarHBondContact CE2-OE2 2.94Å; F181-E496 HydrophobicContact CZ-CB 4.46Å; L492-E496 WeakPolarHBondContact O-CB 3.43Å; L492-E496 PolarHBondContact O-N 3.16Å; F493-E496 PolarHBondContact O-N 3.02Å; E496-A498 PolarHBondContact O-N 3.42Å; E496-L499 WeakPolarHBondContact O-CB 3.41Å; E496-L499 PolarHBondContact O-N 2.81Å; E496-L499 VanDerWaalsContact O-N 3.07Å
497L84.7Confident73.6Confident158 Ų15875.7 Ų75.783%0.82741%0.411SS*.Hα-helixtrans-64.4-25.4177-66173.6000112.7F493 E495F493-L497 WeakPolarHBondContact O-CG 3.43Å; F493-L497 PolarHBondContact O-N 3.48Å; E495-L497 PolarHBondContact O-N 3.18Å
498A81.5Confident70.6Confident74 Ų7475.9 Ų75.961%0.61242%0.421SS*.THydrogen-bonded Turntrans-93.50.5177.400000113.2E495 E496 V500E495-A498 CarbonylContact O-C 3.51Å; E495-A498 PolarHBondContact O-N 3.07Å; E495-A498 VanDerWaalsContact O-N 3.14Å; E496-A498 PolarHBondContact O-N 3.42Å; A498-V500 PolarHBondContact O-N 3.22Å
499L78.2Confident67.8Low32 Ų3281.2 Ų81.217%0.16845%0.448CS..  trans-82.2107.9-165.8-132156.6000110.5L167 Q168 A171 V179 E495 E496 I501L167-L499 HydrophobicContact CB-CD1 4.33Å; L167-L499 HydrophobicContact CD2-CD1 3.38Å; L167-L499 HydrophobicContact CG-CD1 3.66Å; Q168-L499 HydrophobicContact CB-CD2 4.13Å; Q168-L499 HydrophobicContact CB-CG 4.36Å; Q168-L499 HydrophobicContact CG-CD2 4.17Å; A171-L499 HydrophobicContact CB-CD2 4.42Å; V179-L499 HydrophobicContact CG2-CD1 4.33Å; E495-L499 WeakPolarHBondContact O-CB 3.42Å; E495-L499 PolarHBondContact O-N 2.85Å; E495-L499 VanDerWaalsContact O-N 3.14Å; E496-L499 WeakPolarHBondContact O-CB 3.41Å; E496-L499 PolarHBondContact O-N 2.81Å; E496-L499 VanDerWaalsContact O-N 3.07Å; L499-I501 HydrophobicContact CD2-CD1 3.92Å; L499-I501 HydrophobicContact CD2-CG1 3.39Å
500V70.3Confident64.7Low95 Ų9585.5 Ų85.558%0.57647%0.474SS*.  trans-93.898.2170.1-175.30000108.1Q168 A498 T502Q168-V500 PolarHBondContact NE2-O 3.17Å; Q168-V500 VanDerWaalsContact NE2-O 3.1Å; A498-V500 PolarHBondContact O-N 3.22Å; V500-T502 HydrophobicContact CG1-CG2 4.27Å; V500-T502 PolarHBondContact O-N 2.68Å
501I64.7Low61.4Low49 Ų4986.2 Ų86.225%0.25149%0.485SS..  trans-84.596.1169.5-56.5174.2000106.7A171 D177 L499 K503A171-I501 HydrophobicContact CB-CD1 4.38Å; D177-I501 WeakPolarHBondContact O-CD1 3.48Å; L499-I501 HydrophobicContact CD2-CD1 3.92Å; L499-I501 HydrophobicContact CD2-CG1 3.39Å; I501-K503 PolarHBondContact O-N 3.1Å
502T54.9Low58.5Low95 Ų9589.2 Ų89.258%0.58351%0.51SS*.  trans-65107.9166.948.80000107.4V500 N504V500-T502 HydrophobicContact CG1-CG2 4.27Å; V500-T502 PolarHBondContact O-N 2.68Å; T502-N504 PolarHBondContact O-N 3.21Å; T502-N504 VanDerWaalsContact O-N 3.09Å
503K49.5Very low55.2Low149 Ų14997.1 Ų97.165%0.64855%0.547SS*.  trans-53.7121.4162.7-72.3-175.5176.7-176.70105.5I501 V505I501-K503 PolarHBondContact O-N 3.1Å; K503-V505 HydrophobicContact CB-CG2 3.67Å; K503-V505 PolarHBondContact O-N 3.15Å
504N45.3Very low52.1Low108 Ų10898.1 Ų98.158%0.57857%0.567SS**  trans-66.872.6167-77.7-19.7000107.6T502 D506T502-N504 PolarHBondContact O-N 3.21Å; T502-N504 VanDerWaalsContact O-N 3.09Å; N504-D506 PolarHBondContact O-N 3.44Å
505V36.2Very low49.3Very low91 Ų9199.1 Ų99.155%0.55258%0.58SS**G310 helixtrans-71.9-15.4167.9-177.10000109.3K503 A507 A508K503-V505 HydrophobicContact CB-CG2 3.67Å; K503-V505 PolarHBondContact O-N 3.15Å; V505-A507 PolarHBondContact O-N 3.29Å; V505-A508 PolarHBondContact O-N 2.95Å
506D33.4Very low46.8Very low118 Ų118103.3 Ų103.363%0.63160%0.6SS**G310 helixtrans-91.87.9-175.1-58.4-26.1000114.8N504N504-D506 PolarHBondContact O-N 3.44Å
507A35.2Very low44.5Very low66 Ų66105.3 Ų105.355%0.54562%0.619SS.*G310 helixtrans-75.6-13.7160.800000112.1V505V505-A507 PolarHBondContact O-N 3.29Å
508A28.8Very low43Very low88 Ų88102.5 Ų102.573%0.72761%0.612SS**SBendtrans-102.5-0.3177.800000113.8V505V505-A508 PolarHBondContact O-N 2.95Å
509I33.3Very low42.2Very low119 Ų119104.5 Ų104.561%0.6161%0.609SS**  trans-112.452.7172.6-43.3178.5000109.1
510V29.3Very low42.4Very low91 Ų91104.9 Ų104.955%0.55261%0.614SS**SBendtrans-114.2108.5146.7-178.40000103.7
511P24Very low43.2Very low88 Ų88101.9 Ų101.957%0.57160%0.595SS**  trans-57.1139.9177.824.6-30.9000108E513P511-E513 PolarHBondContact O-N 3.3Å
512P28.8Very low44.4Very low132 Ų13299.5 Ų99.586%0.85758%0.583SS**SBendtrans-75.137.5173.435-34.4000110.2
513E25.7Very low46.1Very low165 Ų16595 Ų9577%0.77156%0.555SS**  trans-152.187.5-171.5-67.9-170.317400110.4P511P511-E513 PolarHBondContact O-N 3.3Å
514A26.9Very low48Very low85 Ų8587.9 Ų87.970%0.70252%0.524SS*.SBendtrans178.9131.8140.600000106.1Q516A514-Q516 VanDerWaalsContact C-N 3.34Å; A514-Q516 PolarHBondContact O-N 2.68Å
515D30.8Very low50.1Low175 Ų17582.9 Ų82.994%0.93650%0.497SS*.  trans-39.992.3172.2-72.5-47.7000111.9
516Q34.5Very low52.1Low120 Ų12080.5 Ų80.556%0.56148%0.481SS*.  trans-80130.6171.8-74-170.32.500107.2A514 S518A514-Q516 VanDerWaalsContact C-N 3.34Å; A514-Q516 PolarHBondContact O-N 2.68Å; Q516-S518 PolarHBondContact O-N 3.44Å; Q516-S518 VanDerWaalsContact O-N 3.1Å
517P38.8Very low54.4Low114 Ų11481.2 Ų81.274%0.7447%0.474SS*.  trans-58.4123.3177.826.7-31.9000107.2Q519P517-Q519 PolarHBondContact O-N 2.98Å; P517-Q519 VanDerWaalsContact O-N 3.08Å
518S53Low56.7Low98 Ų9879.1 Ų79.169%0.68545%0.454SS*.  trans-10.1102.7175.6530000113.6Q516 S520Q516-S518 PolarHBondContact O-N 3.44Å; Q516-S518 VanDerWaalsContact O-N 3.1Å; S518-S520 PolarHBondContact O-N 2.97Å
519Q64.8Low59Low116 Ų11675 Ų7554%0.54242%0.419SS..  trans-53.1111.6179.9-76.3-178.3-7.100109.8P517 L521 R543P517-Q519 PolarHBondContact O-N 2.98Å; P517-Q519 VanDerWaalsContact O-N 3.08Å; Q519-L521 PolarHBondContact O-N 3.21Å; Q519-R543 HydrophobicContact CB-CB 4.47Å
520S81.4Confident60.8Low40 Ų4078.1 Ų78.128%0.2842%0.423SS..  trans-60.9129.7-172.8-71.50000111.9S518 R543 E651S518-S520 PolarHBondContact O-N 2.97Å; S520-R543 PolarHBondContact O-N 3.35Å; S520-E651 WeakPolarHBondContact CA-OE1 3.2Å
521L88Confident63.2Low32 Ų3274.5 Ų74.517%0.16840%0.402CS..EExtended strand (participates in β ladder)trans-89.9131.9-175.6-175.370.7000112.7Q519 R543 L545 K646 E651Q519-L521 PolarHBondContact O-N 3.21Å; L521-R543 CarbonylContact C-O 3.56Å; L521-R543 WeakPolarHBondContact CA-O 3.44Å; L521-R543 HydrophobicContact CD1-CB 4.2Å; L521-R543 HydrophobicContact CD1-CG 3.76Å; L521-L545 HydrophobicContact CD1-CB 3.97Å; L521-K646 WeakPolarHBondContact O-CE 3.49Å; L521-K646 PolarHBondContact O-NZ 2.9Å; L521-E651 WeakPolarHBondContact CA-OE2 3.19Å; L521-E651 VanDerWaalsContact CB-OE2 3.24Å; L521-E651 WeakPolarHBondContact CB-OE2 3.42Å; L521-E651 PolarHBondContact N-OE2 3.11Å
522V90.2Very high65.8Low0 Ų073.6 Ų73.60%039%0.392CS..EExtended strand (participates in β ladder)trans-121.5126.8172176.90000109.2V524 L542 R543 I544 L545 Y554 L556 K646V522-V524 HydrophobicContact CG1-CG2 3.99Å; V522-L542 HydrophobicContact CG2-CD1 4.33Å; V522-L542 HydrophobicContact CG2-CD2 4.47Å; V522-R543 PolarHBondContact N-O 3.02Å; V522-I544 WeakPolarHBondContact O-CA 3.46Å; V522-L545 PolarHBondContact O-N 3.4Å; V522-Y554 HydrophobicContact CG1-CD1 4.11Å; V522-L556 HydrophobicContact CG1-CD2 3.85Å; V522-L556 HydrophobicContact CG2-CD2 3.94Å; V522-K646 HydrophobicContact CG2-CD 3.9Å
523I90.1Very high68.5Low0 Ų067.3 Ų67.30%035%0.351CS..EExtended strand (participates in β ladder)trans-85129.7172.3-50.4169.4000107.9L545 L549 Y554 I555 P652 A654 A657I523-L545 CarbonylContact C-O 3.56Å; I523-L545 VanDerWaalsContact CA-O 3.28Å; I523-L545 WeakPolarHBondContact CA-O 3.45Å; I523-L545 HydrophobicContact CG1-CD2 4.39Å; I523-L549 HydrophobicContact CG2-CD1 4.2Å; I523-L549 HydrophobicContact CG2-CD2 4.16Å; I523-Y554 WeakPolarHBondContact O-CA 3.49Å; I523-I555 HydrophobicContact CB-CB 4.18Å; I523-I555 HydrophobicContact CD1-CB 4.42Å; I523-I555 PolarHBondContact N-O 3.02Å; I523-I555 PolarHBondContact O-N 3.48Å; I523-P652 HydrophobicContact CD1-CB 3.83Å; I523-P652 HydrophobicContact CD1-CG 4.12Å; I523-P652 HydrophobicContact CG1-CB 4.3Å; I523-P652 HydrophobicContact CG1-CG 4.05Å; I523-A654 HydrophobicContact CD1-CB 4.31Å; I523-A657 HydrophobicContact CD1-CB 3.95Å
524V89.6Confident71.3Confident0 Ų059.4 Ų59.40%032%0.315CS..EExtended strand (participates in β ladder)trans-124132.8-175.4-177.80000109.3V522 M526 E528 F529 P534 I544 L545 P546 S547 Y554V522-V524 HydrophobicContact CG1-CG2 3.99Å; V524-M526 PolarHBondContact O-N 3.24Å; V524-E528 HydrophobicContact CG1-CB 4.23Å; V524-F529 HydrophobicContact CB-CE2 3.99Å; V524-F529 HydrophobicContact CB-CZ 4.3Å; V524-F529 HydrophobicContact CG1-CD2 4.25Å; V524-F529 HydrophobicContact CG1-CE2 3.64Å; V524-F529 HydrophobicContact CG1-CZ 4.12Å; V524-P534 HydrophobicContact CG1-CB 4.43Å; V524-P534 HydrophobicContact CG1-CG 3.96Å; V524-I544 HydrophobicContact CB-CG2 4.02Å; V524-I544 HydrophobicContact CG2-CG2 3.5Å; V524-L545 PolarHBondContact N-O 3.45Å; V524-P546 CarbonylContact O-C 3.59Å; V524-P546 VanDerWaalsContact O-CA 3.3Å; V524-P546 WeakPolarHBondContact O-CA 3.31Å; V524-S547 PolarHBondContact O-N 3.3Å; V524-Y554 HydrophobicContact CB-CD1 4.3Å; V524-Y554 HydrophobicContact CB-CE1 4.24Å; V524-Y554 HydrophobicContact CG1-CD1 4.11Å; V524-Y554 HydrophobicContact CG1-CE1 3.64Å; V524-Y554 HydrophobicContact CG2-CD1 3.7Å; V524-Y554 HydrophobicContact CG2-CE1 3.72Å
525D89.5Confident73.6Confident2 Ų256.5 Ų56.51%0.01129%0.288CS..EExtended strand (participates in β ladder)trans-63.9135.2173.2-173-87.4000111R527 E528 S547 L549 D553D525-R527 PolarHBondContact O-N 2.97Å; D525-R527 VanDerWaalsContact O-N 3.12Å; D525-R527 WeakPolarHBondContact OD1-CA 3.2Å; D525-R527 WeakPolarHBondContact OD1-CB 3.26Å; D525-R527 VanDerWaalsContact OD1-CG 3.31Å; D525-R527 WeakPolarHBondContact OD1-CG 3.15Å; D525-R527 IonicContact OD1-CZ 2.68Å; D525-R527 PolarHBondContact OD1-N 2.97Å; D525-R527 IonicContact OD1-NE 2.84Å; D525-R527 PolarHBondContact OD1-NE 3.44Å; D525-R527 IonicContact OD1-NH2 2.69Å; D525-R527 IonicContact OD2-CZ 3.12Å; D525-R527 IonicContact OD2-NE 2.68Å; D525-R527 IonicContact OD2-NH2 3.44Å; D525-R527 PolarHBondContact OD2-NH2 2.86Å; D525-E528 WeakPolarHBondContact O-CB 3.48Å; D525-E528 PolarHBondContact O-N 3.39Å; D525-S547 CarbonylContact C-O 3.53Å; D525-S547 VanDerWaalsContact CA-O 3.25Å; D525-S547 WeakPolarHBondContact CA-O 3.32Å; D525-L549 HydrophobicContact CB-CB 4.31Å; D525-L549 HydrophobicContact CB-CD1 4.36Å; D525-L549 HydrophobicContact CB-CG 4.44Å; D525-L549 PolarHBondContact OD2-N 3.36Å; D525-L549 VanDerWaalsContact OD2-O 3.14Å; D525-D553 PolarHBondContact N-O 3.46Å
526M78.6Confident76.1Confident42 Ų4249.4 Ų49.421%0.20725%0.25CC..G310 helixtrans-54.9-31.2179.1-81.8179.233.300114N105 V524 E528 P546 S547 T548N105-M526 PolarHBondContact ND2-SD 3.33Å; N105-M526 PolarHBondContact OD1-SD 3.33Å; V524-M526 PolarHBondContact O-N 3.24Å; M526-E528 PolarHBondContact O-N 3.21Å; M526-P546 HydrophobicContact CG-CB 4.5Å; M526-S547 PolarHBondContact N-O 3.14Å; M526-T548 HydrophobicContact CB-CG2 4.4Å; M526-T548 HydrophobicContact CE-CG2 4.05Å; M526-T548 HydrophobicContact CG-CG2 4.21Å; M526-T548 HydrophobicContact SD-CG2 3.44Å; M526-T548 WeakPolarHBondContact SD-CG2 3.5Å
527R80.6Confident78.5Confident132 Ų13243.7 Ų43.750%0.49822%0.223SC..G310 helixtrans-70.7-22.3-179.5-61.6168-75.1-169.6-4.7111.7D525 F529 R530 L549D525-R527 PolarHBondContact O-N 2.97Å; D525-R527 VanDerWaalsContact O-N 3.12Å; D525-R527 WeakPolarHBondContact OD1-CA 3.2Å; D525-R527 WeakPolarHBondContact OD1-CB 3.26Å; D525-R527 VanDerWaalsContact OD1-CG 3.31Å; D525-R527 WeakPolarHBondContact OD1-CG 3.15Å; D525-R527 IonicContact OD1-CZ 2.68Å; D525-R527 PolarHBondContact OD1-N 2.97Å; D525-R527 IonicContact OD1-NE 2.84Å; D525-R527 PolarHBondContact OD1-NE 3.44Å; D525-R527 IonicContact OD1-NH2 2.69Å; D525-R527 IonicContact OD2-CZ 3.12Å; D525-R527 IonicContact OD2-NE 2.68Å; D525-R527 IonicContact OD2-NH2 3.44Å; D525-R527 PolarHBondContact OD2-NH2 2.86Å; R527-F529 VanDerWaalsContact C-N 3.32Å; R527-F529 PolarHBondContact O-N 2.68Å; R527-R530 WeakPolarHBondContact O-CG 3.46Å; R527-L549 PolarHBondContact NH2-O 3.37Å
528E84.6Confident80.4Confident23 Ų2340 Ų4011%0.10720%0.196CC..G310 helixtrans-82-11.6-173.8-167.861.1-178.500113.6V524 D525 M526 R530 S531 D553 Y554 R564V524-E528 HydrophobicContact CG1-CB 4.23Å; D525-E528 WeakPolarHBondContact O-CB 3.48Å; D525-E528 PolarHBondContact O-N 3.39Å; M526-E528 PolarHBondContact O-N 3.21Å; E528-R530 PolarHBondContact O-N 3.44Å; E528-R530 VanDerWaalsContact O-N 3.09Å; E528-S531 WeakPolarHBondContact O-CB 3.35Å; E528-S531 PolarHBondContact O-N 3.38Å; E528-S531 PolarHBondContact O-OG 3.46Å; E528-D553 HydrophobicContact CG-CB 4.44Å; E528-Y554 HydrophobicContact CG-CE1 4.39Å; E528-Y554 HydrophobicContact CG-CE2 3.57Å; E528-Y554 VanDerWaalsContact CG-CZ 3.41Å; E528-Y554 WeakPolarHBondContact CG-OH 3.49Å; E528-Y554 PolarHBondContact OE1-OH 3.48Å; E528-R564 WeakPolarHBondContact OE1-CD 3.29Å; E528-R564 IonicContact OE1-CZ 3.09Å; E528-R564 IonicContact OE1-NE 3.63Å; E528-R564 IonicContact OE1-NH1 3.44Å; E528-R564 PolarHBondContact OE1-NH1 3.03Å; E528-R564 IonicContact OE2-NH1 3.66Å
529F76.1Confident81.4Confident1 Ų140.6 Ų40.60%0.00419%0.191CC..G310 helixtrans-64.7-7.6170.1-78.4-87.9000114.5L133 F136 V524 R527 S531 P534 I544 P546L133-F529 HydrophobicContact CB-CB 3.98Å; L133-F529 HydrophobicContact CD1-CB 3.76Å; L133-F529 HydrophobicContact CG-CB 3.88Å; L133-F529 HydrophobicContact CG-CG 4.45Å; L133-F529 PolarHBondContact N-O 3.29Å; L133-F529 VanDerWaalsContact N-O 3.16Å; F136-F529 HydrophobicContact CD1-CD1 4.23Å; F136-F529 AromaticContact CD1-CE1 3.87Å; F136-F529 HydrophobicContact CD1-CE1 3.87Å; F136-F529 AromaticContact CE1-CE1 3.88Å; F136-F529 HydrophobicContact CE1-CE1 3.88Å; F136-F529 HydrophobicContact CG-CD1 4.49Å; F136-F529 HydrophobicContact CG-CE1 4.21Å; F136-F529 HydrophobicContact CZ-CE1 4.24Å; V524-F529 HydrophobicContact CB-CE2 3.99Å; V524-F529 HydrophobicContact CB-CZ 4.3Å; V524-F529 HydrophobicContact CG1-CD2 4.25Å; V524-F529 HydrophobicContact CG1-CE2 3.64Å; V524-F529 HydrophobicContact CG1-CZ 4.12Å; R527-F529 VanDerWaalsContact C-N 3.32Å; R527-F529 PolarHBondContact O-N 2.68Å; F529-S531 PolarHBondContact O-N 3.2Å; F529-P534 HydrophobicContact CD1-CB 3.93Å; F529-P534 HydrophobicContact CD1-CG 4.35Å; F529-P534 HydrophobicContact CE1-CB 3.66Å; F529-P534 HydrophobicContact CE1-CG 4.42Å; F529-P534 HydrophobicContact CG-CG 4.49Å; F529-P534 HydrophobicContact CZ-CB 4.04Å; F529-I544 HydrophobicContact CZ-CG2 3.83Å; F529-P546 HydrophobicContact CE1-CG 4.43Å; F529-P546 HydrophobicContact CE2-CB 3.64Å; F529-P546 HydrophobicContact CE2-CG 3.73Å; F529-P546 HydrophobicContact CZ-CB 3.98Å; F529-P546 HydrophobicContact CZ-CG 3.49Å; F529-P546 VanDerWaalsContact CZ-CG 3.49Å
530R71.5Confident82.2Confident185 Ų18539.9 Ų39.970%0.69818%0.183SC*.G310 helixtrans-69.2-22.5168-64.4178.7-174.7179.63.2112.1R527 E528R527-R530 WeakPolarHBondContact O-CG 3.46Å; E528-R530 PolarHBondContact O-N 3.44Å; E528-R530 VanDerWaalsContact O-N 3.09Å
531S79.5Confident82Confident15 Ų1540 Ų4011%0.10519%0.191CC..SBendtrans-95161.7179.778.10000112.9A132 E528 F529 L533 P534 R564A132-S531 WeakPolarHBondContact CB-O 3.47Å; E528-S531 WeakPolarHBondContact O-CB 3.35Å; E528-S531 PolarHBondContact O-N 3.38Å; E528-S531 PolarHBondContact O-OG 3.46Å; F529-S531 PolarHBondContact O-N 3.2Å; S531-L533 PolarHBondContact O-N 2.77Å; S531-P534 WeakPolarHBondContact O-CD 3.39Å; S531-P534 WeakPolarHBondContact OG-CD 3.43Å; S531-R564 PolarHBondContact OG-NH1 2.87Å; S531-R564 VanDerWaalsContact OG-NH1 3.11Å
532D78Confident81.8Confident68 Ų6838.8 Ų38.836%0.36418%0.184SC..SBendtrans-73.3-10.8177.8-66.7-23.7000113.5R169 T535 N536R169-D532 IonicContact NH2-OD1 3.54Å; R169-D532 IonicContact NH2-OD2 2.77Å; R169-D532 PolarHBondContact NH2-OD2 3.18Å; R169-D532 VanDerWaalsContact NH2-OD2 3.16Å; D532-T535 PolarHBondContact O-N 2.87Å; D532-N536 PolarHBondContact O-N 3.17Å; D532-N536 VanDerWaalsContact O-N 3.17Å
533L86.5Confident81.4Confident0 Ų046 Ų460%021%0.211CC..Hα-helixtrans-67.6-46.3-17117860.5000113.5S531 T535 N536 L537 Y554 R564 L596 S635 V638S531-L533 PolarHBondContact O-N 2.77Å; L533-T535 VanDerWaalsContact C-N 3.27Å; L533-T535 PolarHBondContact O-N 2.92Å; L533-N536 PolarHBondContact O-N 3.28Å; L533-N536 VanDerWaalsContact O-N 3.12Å; L533-L537 HydrophobicContact CD1-CD1 4.42Å; L533-L537 HydrophobicContact CD1-CD2 4.47Å; L533-L537 HydrophobicContact CD1-CG 4.08Å; L533-L537 HydrophobicContact CG-CD1 4.13Å; L533-L537 HydrophobicContact CG-CG 4.3Å; L533-L537 WeakPolarHBondContact O-CG 3.37Å; L533-L537 PolarHBondContact O-N 3.01Å; L533-Y554 WeakPolarHBondContact CB-OH 3.37Å; L533-Y554 HydrophobicContact CD2-CE1 4.35Å; L533-Y554 HydrophobicContact CD2-CE2 3.77Å; L533-Y554 VanDerWaalsContact CD2-OH 3.27Å; L533-Y554 WeakPolarHBondContact CD2-OH 3.3Å; L533-Y554 HydrophobicContact CG-CE1 4.49Å; L533-Y554 WeakPolarHBondContact CG-OH 3.46Å; L533-R564 VanDerWaalsContact CD2-CD 3.43Å; L533-L596 HydrophobicContact CD2-CD2 4.31Å; L533-S635 WeakPolarHBondContact CD1-O 3.23Å; L533-V638 HydrophobicContact CD1-CB 3.71Å; L533-V638 HydrophobicContact CD1-CG1 3.62Å; L533-V638 HydrophobicContact CD2-CB 4.48Å; L533-V638 HydrophobicContact CD2-CG1 3.73Å; L533-V638 HydrophobicContact CG-CG1 4.36Å
534P83.8Confident81.2Confident0 Ų046.7 Ų46.70%022%0.215CC..Hα-helixtrans-56.2-41.7175.2-26.637.6000112.5V524 F529 S531 N536 L537 H538 I544 Y554V524-P534 HydrophobicContact CG1-CB 4.43Å; V524-P534 HydrophobicContact CG1-CG 3.96Å; F529-P534 HydrophobicContact CD1-CB 3.93Å; F529-P534 HydrophobicContact CD1-CG 4.35Å; F529-P534 HydrophobicContact CE1-CB 3.66Å; F529-P534 HydrophobicContact CE1-CG 4.42Å; F529-P534 HydrophobicContact CG-CG 4.49Å; F529-P534 HydrophobicContact CZ-CB 4.04Å; S531-P534 WeakPolarHBondContact O-CD 3.39Å; S531-P534 WeakPolarHBondContact OG-CD 3.43Å; P534-N536 VanDerWaalsContact C-N 3.33Å; P534-N536 PolarHBondContact O-N 3.5Å; P534-L537 PolarHBondContact O-N 3.02Å; P534-H538 PolarHBondContact O-N 3.39Å; P534-I544 HydrophobicContact CB-CD1 4.31Å; P534-I544 WeakPolarHBondContact O-CD1 3.47Å; P534-Y554 WeakPolarHBondContact CD-OH 3.47Å
535T76.3Confident80.8Confident23 Ų2349 Ų4914%0.14123%0.227CC..Hα-helixtrans-60.7-44.3177.2-510000111.4D532 L533 H538 I539D532-T535 PolarHBondContact O-N 2.87Å; L533-T535 VanDerWaalsContact C-N 3.27Å; L533-T535 PolarHBondContact O-N 2.92Å; T535-H538 PolarHBondContact O-N 2.99Å; T535-I539 HydrophobicContact CG2-CD1 4.14Å; T535-I539 WeakPolarHBondContact O-CG1 3.46Å; T535-I539 PolarHBondContact O-N 3.22Å
536N82.5Confident80.4Confident26 Ų2649.4 Ų49.414%0.13923%0.23CC..Hα-helixtrans-69.4-35.7179.4-72.2-18.5000113.6D532 L533 P534 H538 I539 R540 S635D532-N536 PolarHBondContact O-N 3.17Å; D532-N536 VanDerWaalsContact O-N 3.17Å; L533-N536 PolarHBondContact O-N 3.28Å; L533-N536 VanDerWaalsContact O-N 3.12Å; P534-N536 VanDerWaalsContact C-N 3.33Å; P534-N536 PolarHBondContact O-N 3.5Å; N536-H538 VanDerWaalsContact C-N 3.28Å; N536-H538 PolarHBondContact O-N 2.98Å; N536-I539 PolarHBondContact O-N 2.86Å; N536-R540 WeakPolarHBondContact O-CG 3.24Å; N536-R540 PolarHBondContact O-N 3.17Å; N536-R540 VanDerWaalsContact O-N 3.1Å; N536-S635 PolarHBondContact ND2-OG 3.35Å
537L85.8Confident80.6Confident0 Ų048.1 Ų48.10%023%0.225CC..Hα-helixtrans-58.3-44.8174-72.8170.1000110.9L533 P534 R540 L542 I544 Y554 A639 F642L533-L537 HydrophobicContact CD1-CD1 4.42Å; L533-L537 HydrophobicContact CD1-CD2 4.47Å; L533-L537 HydrophobicContact CD1-CG 4.08Å; L533-L537 HydrophobicContact CG-CD1 4.13Å; L533-L537 HydrophobicContact CG-CG 4.3Å; L533-L537 WeakPolarHBondContact O-CG 3.37Å; L533-L537 PolarHBondContact O-N 3.01Å; P534-L537 PolarHBondContact O-N 3.02Å; L537-R540 PolarHBondContact O-N 2.94Å; L537-L542 HydrophobicContact CB-CD1 4.31Å; L537-L542 HydrophobicContact CD2-CD1 3.52Å; L537-L542 WeakPolarHBondContact O-CB 3.49Å; L537-L542 PolarHBondContact O-N 3.19Å; L537-I544 HydrophobicContact CB-CD1 3.88Å; L537-I544 HydrophobicContact CB-CG1 4.46Å; L537-Y554 HydrophobicContact CD1-CD1 4.05Å; L537-Y554 HydrophobicContact CD1-CE1 3.59Å; L537-A639 HydrophobicContact CD2-CB 3.79Å; L537-A639 HydrophobicContact CG-CB 4.42Å; L537-F642 HydrophobicContact CD1-CD2 4Å; L537-F642 HydrophobicContact CD1-CE2 4.1Å; L537-F642 HydrophobicContact CD2-CB 3.98Å; L537-F642 HydrophobicContact CD2-CD2 3.41Å; L537-F642 VanDerWaalsContact CD2-CD2 3.41Å; L537-F642 HydrophobicContact CD2-CE2 4.21Å; L537-F642 HydrophobicContact CD2-CG 4Å; L537-F642 HydrophobicContact CG-CD2 4.36Å
538H77.2Confident80.7Confident37 Ų3745.6 Ų45.617%0.17123%0.225CC..Hα-helixtrans-69.1-39.3178.7173.6-104.9000112.7F136 Q140 K143 P534 T535 N536 R540 G541 I544F136-H538 HydrophobicContact CE2-CB 4.1Å; Q140-H538 PolarHBondContact NE2-CD2 3.39Å; Q140-H538 PolarHBondContact NE2-CE1 3Å; Q140-H538 PolarHBondContact NE2-ND1 2.85Å; Q140-H538 PolarHBondContact NE2-NE2 3.3Å; K143-H538 PolarHBondContact NZ-CE1 2.9Å; K143-H538 PolarHBondContact NZ-NE2 3.28Å; P534-H538 PolarHBondContact O-N 3.39Å; T535-H538 PolarHBondContact O-N 2.99Å; N536-H538 VanDerWaalsContact C-N 3.28Å; N536-H538 PolarHBondContact O-N 2.98Å; H538-R540 PolarHBondContact O-N 3.06Å; H538-G541 PolarHBondContact O-N 2.9Å; H538-I544 HydrophobicContact CB-CD1 3.69Å; H538-I544 HydrophobicContact CB-CG1 4.39Å
539I75.3Confident80.9Confident111 Ų11144.8 Ų44.857%0.56922%0.221SC*.Hα-helixtrans-58.2-35.4174.9-70.3165.4000111T535 N536 G541T535-I539 HydrophobicContact CG2-CD1 4.14Å; T535-I539 WeakPolarHBondContact O-CG1 3.46Å; T535-I539 PolarHBondContact O-N 3.22Å; N536-I539 PolarHBondContact O-N 2.86Å; I539-G541 PolarHBondContact O-N 3.43Å
540R80.1Confident81.4Confident101 Ų10148.1 Ų48.138%0.38124%0.241SC..THydrogen-bonded Turntrans-81.39.3177.1-65.3-59.7-166.9107.124.7114.5N536 L537 H538 A639 D640 I643N536-R540 WeakPolarHBondContact O-CG 3.24Å; N536-R540 PolarHBondContact O-N 3.17Å; N536-R540 VanDerWaalsContact O-N 3.1Å; L537-R540 PolarHBondContact O-N 2.94Å; H538-R540 PolarHBondContact O-N 3.06Å; R540-A639 HydrophobicContact CB-CB 4.22Å; R540-A639 HydrophobicContact CG-CB 3.83Å; R540-D640 IonicContact CZ-OD1 3.49Å; R540-D640 IonicContact CZ-OD2 3.84Å; R540-D640 VanDerWaalsContact CZ-OD2 3.32Å; R540-D640 IonicContact NE-OD1 2.63Å; R540-D640 VanDerWaalsContact NH1-CG 3.3Å; R540-D640 IonicContact NH1-OD1 3.43Å; R540-D640 PolarHBondContact NH1-OD1 2.8Å; R540-D640 IonicContact NH1-OD2 3.8Å; R540-D640 PolarHBondContact NH1-OD2 3.15Å; R540-D640 IonicContact NH2-OD1 2.82Å; R540-D640 PolarHBondContact NH2-OD1 2.91Å; R540-D640 IonicContact NH2-OD2 3.15Å; R540-D640 PolarHBondContact NH2-OD2 3.2Å; R540-I643 HydrophobicContact CB-CD1 4.14Å
541G78.7Confident82.2Confident43 Ų4339.9 Ų39.944%0.44321%0.212SC..THydrogen-bonded Turntrans87.99172.400000115.5H538 I539H538-G541 PolarHBondContact O-N 2.9Å; I539-G541 PolarHBondContact O-N 3.43Å
542L82.9Confident82.7Confident6 Ų639.5 Ų39.53%0.03121%0.21CC..  trans-79.8134.8171.9-67167.6000110.5V522 L537 F642 I643V522-L542 HydrophobicContact CG2-CD1 4.33Å; V522-L542 HydrophobicContact CG2-CD2 4.47Å; L537-L542 HydrophobicContact CB-CD1 4.31Å; L537-L542 HydrophobicContact CD2-CD1 3.52Å; L537-L542 WeakPolarHBondContact O-CB 3.49Å; L537-L542 PolarHBondContact O-N 3.19Å; L542-F642 HydrophobicContact CD1-CB 4.19Å; L542-I643 HydrophobicContact CD1-CG1 3.94Å; L542-I643 HydrophobicContact CD2-CG1 3.97Å; L542-I643 HydrophobicContact CG-CG1 3.97Å
543R82.8Confident83.3Confident150 Ų15036.9 Ų36.957%0.56620%0.196SC*.EExtended strand (participates in β ladder)trans-78.8129.1173-178177.7162.9174.5-3.9108.9Q519 S520 L521 V522Q519-R543 HydrophobicContact CB-CB 4.47Å; S520-R543 PolarHBondContact O-N 3.35Å; L521-R543 CarbonylContact C-O 3.56Å; L521-R543 WeakPolarHBondContact CA-O 3.44Å; L521-R543 HydrophobicContact CD1-CB 4.2Å; L521-R543 HydrophobicContact CD1-CG 3.76Å; V522-R543 PolarHBondContact N-O 3.02Å
544I84.9Confident83.7Confident16 Ų1636.9 Ų36.98%0.08220%0.196CC..EExtended strand (participates in β ladder)trans-106.8131.8-176.9-61.8179.2000110.3F136 V522 V524 F529 P534 L537 H538 P546F136-I544 HydrophobicContact CE2-CD1 4.38Å; V522-I544 WeakPolarHBondContact O-CA 3.46Å; V524-I544 HydrophobicContact CB-CG2 4.02Å; V524-I544 HydrophobicContact CG2-CG2 3.5Å; F529-I544 HydrophobicContact CZ-CG2 3.83Å; P534-I544 HydrophobicContact CB-CD1 4.31Å; P534-I544 WeakPolarHBondContact O-CD1 3.47Å; L537-I544 HydrophobicContact CB-CD1 3.88Å; L537-I544 HydrophobicContact CB-CG1 4.46Å; H538-I544 HydrophobicContact CB-CD1 3.69Å; H538-I544 HydrophobicContact CB-CG1 4.39Å; I544-P546 HydrophobicContact CG2-CG 4.28Å
545L82.1Confident84.1Confident47 Ų4737 Ų3725%0.24620%0.197CC..EExtended strand (participates in β ladder)trans-115.3103.8170-171.273.2000110.1L521 V522 I523 V524 S547 A654L521-L545 HydrophobicContact CD1-CB 3.97Å; V522-L545 PolarHBondContact O-N 3.4Å; I523-L545 CarbonylContact C-O 3.56Å; I523-L545 VanDerWaalsContact CA-O 3.28Å; I523-L545 WeakPolarHBondContact CA-O 3.45Å; I523-L545 HydrophobicContact CG1-CD2 4.39Å; V524-L545 PolarHBondContact N-O 3.45Å; L545-S547 PolarHBondContact O-N 2.84Å; L545-A654 HydrophobicContact CD2-CB 3.47Å; L545-A654 VanDerWaalsContact CD2-CB 3.47Å
546P80.4Confident84.9Confident11 Ų1136 Ų367%0.07119%0.19CC..EExtended strand (participates in β ladder)trans-69.9130.3174.2-20.836.6000110.2V104 L108 V524 M526 F529 I544V104-P546 HydrophobicContact CG1-CB 4.19Å; V104-P546 HydrophobicContact CG1-CG 4.19Å; L108-P546 HydrophobicContact CD1-CB 3.38Å; L108-P546 HydrophobicContact CD1-CG 3.21Å; L108-P546 HydrophobicContact CD2-CG 3.67Å; L108-P546 HydrophobicContact CG-CG 3.95Å; V524-P546 CarbonylContact O-C 3.59Å; V524-P546 VanDerWaalsContact O-CA 3.3Å; V524-P546 WeakPolarHBondContact O-CA 3.31Å; M526-P546 HydrophobicContact CG-CB 4.5Å; F529-P546 HydrophobicContact CE1-CG 4.43Å; F529-P546 HydrophobicContact CE2-CB 3.64Å; F529-P546 HydrophobicContact CE2-CG 3.73Å; F529-P546 HydrophobicContact CZ-CB 3.98Å; F529-P546 HydrophobicContact CZ-CG 3.49Å; F529-P546 VanDerWaalsContact CZ-CG 3.49Å; I544-P546 HydrophobicContact CG2-CG 4.28Å
547S82.4Confident85.3Confident15 Ų1534.7 Ų34.711%0.10518%0.183CC..EExtended strand (participates in β ladder)trans-145.6159.9176.8-69.70000109.7V524 D525 M526 L545V524-S547 PolarHBondContact O-N 3.3Å; D525-S547 CarbonylContact C-O 3.53Å; D525-S547 VanDerWaalsContact CA-O 3.25Å; D525-S547 WeakPolarHBondContact CA-O 3.32Å; M526-S547 PolarHBondContact N-O 3.14Å; L545-S547 PolarHBondContact O-N 2.84Å
548T84.4Confident85.4Confident80 Ų8037.7 Ų37.749%0.49120%0.203SC..  trans-89.3108.417246.90000108.2M526M526-T548 HydrophobicContact CB-CG2 4.4Å; M526-T548 HydrophobicContact CE-CG2 4.05Å; M526-T548 HydrophobicContact CG-CG2 4.21Å; M526-T548 HydrophobicContact SD-CG2 3.44Å; M526-T548 WeakPolarHBondContact SD-CG2 3.5Å
549L87.1Confident86Confident6 Ų638.5 Ų38.53%0.03121%0.206CC..  trans-100.7138.8-178.2-59.6178.9000109.4I523 D525 R527 I555 A657I523-L549 HydrophobicContact CG2-CD1 4.2Å; I523-L549 HydrophobicContact CG2-CD2 4.16Å; D525-L549 HydrophobicContact CB-CB 4.31Å; D525-L549 HydrophobicContact CB-CD1 4.36Å; D525-L549 HydrophobicContact CB-CG 4.44Å; D525-L549 PolarHBondContact OD2-N 3.36Å; D525-L549 VanDerWaalsContact OD2-O 3.14Å; R527-L549 PolarHBondContact NH2-O 3.37Å; L549-I555 HydrophobicContact CD1-CD1 3.69Å; L549-I555 HydrophobicContact CD1-CG1 3.98Å; L549-I555 HydrophobicContact CD2-CD1 3.8Å; L549-I555 HydrophobicContact CG-CD1 4.39Å; L549-A657 HydrophobicContact CD2-CB 3.97Å
550T86.8Confident86.9Confident70 Ų7033.3 Ų33.343%0.42918%0.18SC..SBendtrans-82.1-37.9173.553.90000110.6L660 K662T550-L660 PolarHBondContact OG1-O 3.14Å; T550-K662 HydrophobicContact CG2-CG 4.38Å
551V89Confident87.5Confident13 Ų1328.5 Ų28.58%0.07916%0.162CC..SBendtrans-124.4116.4-174.5-177.50000110.1A585 M586 Y590V551-A585 HydrophobicContact CG1-CB 4.13Å; V551-A585 HydrophobicContact CG2-CB 4.11Å; V551-M586 HydrophobicContact CG1-CB 4.38Å; V551-M586 HydrophobicContact CG1-CG 3.84Å; V551-Y590 HydrophobicContact CG1-CD2 4.47Å; V551-Y590 HydrophobicContact CG1-CE2 4.27Å
552G89.6Confident88.3Confident6 Ų626.5 Ų26.56%0.06214%0.141CC..  trans82.5164.2179.100000114.8C561G552-C561 VanDerWaalsContact CA-SG 3.57Å
553D91.1Very high88.9Confident14 Ų1426.4 Ų26.48%0.07514%0.14CC..SBendtrans-100.5-34.7-178.3-60.1-44.5000112.2D525 E528 V562 R564D525-D553 PolarHBondContact N-O 3.46Å; E528-D553 HydrophobicContact CG-CB 4.44Å; D553-V562 PolarHBondContact N-O 3.04Å; D553-R564 PolarHBondContact OD2-N 3.33Å
554Y93.7Very high89.3Confident0 Ų020.8 Ų20.80%012%0.119CC..EExtended strand (participates in β ladder)trans-133.2136.6179.5-57.2-95.7000111.6V522 I523 V524 E528 L533 P534 L537 V562 R564 F642V522-Y554 HydrophobicContact CG1-CD1 4.11Å; I523-Y554 WeakPolarHBondContact O-CA 3.49Å; V524-Y554 HydrophobicContact CB-CD1 4.3Å; V524-Y554 HydrophobicContact CB-CE1 4.24Å; V524-Y554 HydrophobicContact CG1-CD1 4.11Å; V524-Y554 HydrophobicContact CG1-CE1 3.64Å; V524-Y554 HydrophobicContact CG2-CD1 3.7Å; V524-Y554 HydrophobicContact CG2-CE1 3.72Å; E528-Y554 HydrophobicContact CG-CE1 4.39Å; E528-Y554 HydrophobicContact CG-CE2 3.57Å; E528-Y554 VanDerWaalsContact CG-CZ 3.41Å; E528-Y554 WeakPolarHBondContact CG-OH 3.49Å; E528-Y554 PolarHBondContact OE1-OH 3.48Å; L533-Y554 WeakPolarHBondContact CB-OH 3.37Å; L533-Y554 HydrophobicContact CD2-CE1 4.35Å; L533-Y554 HydrophobicContact CD2-CE2 3.77Å; L533-Y554 VanDerWaalsContact CD2-OH 3.27Å; L533-Y554 WeakPolarHBondContact CD2-OH 3.3Å; L533-Y554 HydrophobicContact CG-CE1 4.49Å; L533-Y554 WeakPolarHBondContact CG-OH 3.46Å; P534-Y554 WeakPolarHBondContact CD-OH 3.47Å; L537-Y554 HydrophobicContact CD1-CD1 4.05Å; L537-Y554 HydrophobicContact CD1-CE1 3.59Å; Y554-V562 PolarHBondContact N-O 3.44Å; Y554-V562 PolarHBondContact O-N 2.83Å; Y554-R564 HydrophobicContact CE2-CB 4.07Å; Y554-F642 AromaticContact CD1-CE2 3.86Å; Y554-F642 HydrophobicContact CD1-CE2 3.86Å; Y554-F642 HydrophobicContact CD2-CE2 4.32Å; Y554-F642 HydrophobicContact CD2-CZ 4.35Å; Y554-F642 HydrophobicContact CE1-CE2 4.37Å; Y554-F642 AromaticContact CG-CE2 3.85Å; Y554-F642 HydrophobicContact CG-CE2 3.85Å; Y554-F642 HydrophobicContact CG-CZ 4.24Å
555I93.4Very high89.5Confident3 Ų320.9 Ų20.92%0.01512%0.119CC..EExtended strand (participates in β ladder)trans-116.3112.4172.8-56166.2000107.9I523 L549 A557 Y590 P652 A657I523-I555 HydrophobicContact CB-CB 4.18Å; I523-I555 HydrophobicContact CD1-CB 4.42Å; I523-I555 PolarHBondContact N-O 3.02Å; I523-I555 PolarHBondContact O-N 3.48Å; L549-I555 HydrophobicContact CD1-CD1 3.69Å; L549-I555 HydrophobicContact CD1-CG1 3.98Å; L549-I555 HydrophobicContact CD2-CD1 3.8Å; L549-I555 HydrophobicContact CG-CD1 4.39Å; I555-A557 WeakPolarHBondContact CG2-O 3.19Å; I555-Y590 VanDerWaalsContact CD1-OH 3.24Å; I555-Y590 WeakPolarHBondContact CD1-OH 3.39Å; I555-P652 HydrophobicContact CG2-CB 3.88Å; I555-A657 HydrophobicContact CD1-CB 3.29Å
556L92.5Very high89.7Confident0 Ų020.1 Ų20.10%012%0.119CC..EExtended strand (participates in β ladder)trans-91.2-34.2-177.4-56.1-177.2000111.7V522 I560 V562 F642 F645 K646V522-L556 HydrophobicContact CG1-CD2 3.85Å; V522-L556 HydrophobicContact CG2-CD2 3.94Å; L556-I560 HydrophobicContact CB-CB 4.37Å; L556-I560 HydrophobicContact CB-CD1 4.44Å; L556-I560 HydrophobicContact CB-CG2 4.34Å; L556-I560 HydrophobicContact CD1-CG2 4.36Å; L556-I560 PolarHBondContact N-O 2.94Å; L556-V562 HydrophobicContact CD1-CG2 3.77Å; L556-V562 HydrophobicContact CG-CG2 3.99Å; L556-F642 HydrophobicContact CD1-CD1 3.93Å; L556-F642 HydrophobicContact CD1-CD2 4.46Å; L556-F642 HydrophobicContact CD1-CE1 4.19Å; L556-F642 HydrophobicContact CD1-CG 4.08Å; L556-F642 HydrophobicContact CD2-CB 4.27Å; L556-F642 HydrophobicContact CD2-CD1 4.41Å; L556-F642 HydrophobicContact CD2-CD2 3.47Å; L556-F642 VanDerWaalsContact CD2-CD2 3.47Å; L556-F642 HydrophobicContact CD2-CE2 3.82Å; L556-F642 HydrophobicContact CD2-CG 3.81Å; L556-F642 HydrophobicContact CD2-CZ 4.4Å; L556-F645 HydrophobicContact CD1-CB 3.9Å; L556-F645 HydrophobicContact CD1-CD2 3.85Å; L556-F645 HydrophobicContact CD1-CG 4.41Å; L556-K646 HydrophobicContact CB-CG 4.1Å; L556-K646 WeakPolarHBondContact O-CE 3.3Å
557A90.1Very high89.7Confident0 Ų020 Ų200%012%0.118CC..EExtended strand (participates in β ladder)trans-150.5166.5176.500000108.3I555 H559 I560 R649I555-A557 WeakPolarHBondContact CG2-O 3.19Å; A557-H559 PolarHBondContact O-N 3.35Å; A557-I560 HydrophobicContact CB-CB 4.39Å; A557-I560 HydrophobicContact CB-CD1 3.56Å; A557-I560 HydrophobicContact CB-CG1 4.02Å; A557-I560 PolarHBondContact O-N 3.06Å; A557-R649 HydrophobicContact CB-CB 4.33Å
558P89Confident89.4Confident63 Ų6320.9 Ų20.941%0.40912%0.122SC..THydrogen-bonded Turntrans-53.1-20.8-179.3-27.834.4000115.1P650 E651P558-P650 WeakPolarHBondContact CD-O 3.18Å; P558-P650 HydrophobicContact CG-CG 4.32Å; P558-E651 WeakPolarHBondContact CD-O 3.14Å; P558-E651 WeakPolarHBondContact CG-O 3.37Å
559H90.6Very high89.3Confident53 Ų5321.4 Ų21.425%0.24512%0.122CC..THydrogen-bonded Turntrans-115.3-0.2-177.663.4-83.8000114.3A557 K591 K592A557-H559 PolarHBondContact O-N 3.35Å; H559-K591 HydrophobicContact CB-CB 4.34Å; H559-K592 PolarHBondContact O-N 3.42Å
560I92.9Very high89.2Confident3 Ų321.1 Ų21.12%0.01512%0.12CC..EExtended strand (participates in β ladder)trans-119.9118.2-176.1-49.8159.5000109.4L556 A557 V562 K592 V594L556-I560 HydrophobicContact CB-CB 4.37Å; L556-I560 HydrophobicContact CB-CD1 4.44Å; L556-I560 HydrophobicContact CB-CG2 4.34Å; L556-I560 HydrophobicContact CD1-CG2 4.36Å; L556-I560 PolarHBondContact N-O 2.94Å; A557-I560 HydrophobicContact CB-CB 4.39Å; A557-I560 HydrophobicContact CB-CD1 3.56Å; A557-I560 HydrophobicContact CB-CG1 4.02Å; A557-I560 PolarHBondContact O-N 3.06Å; I560-V562 HydrophobicContact CG2-CG2 4.46Å; I560-K592 WeakPolarHBondContact CA-O 3.23Å; I560-K592 HydrophobicContact CG1-CB 4.45Å; I560-V594 HydrophobicContact CG2-CG2 4.2Å
561C93.6Very high89Confident0 Ų017.9 Ų17.90%010%0.1CC..EExtended strand (participates in β ladder)trans-116.2137.2174173.40000108.8G552 Y590 K592 V594G552-C561 VanDerWaalsContact CA-SG 3.57Å; C561-Y590 HydrophobicContact CB-CD1 3.88Å; C561-Y590 HydrophobicContact CB-CD2 3.35Å; C561-Y590 HydrophobicContact CB-CE1 4.23Å; C561-Y590 HydrophobicContact CB-CE2 3.73Å; C561-Y590 HydrophobicContact CB-CG 3.42Å; C561-Y590 VanDerWaalsContact CB-CG 3.42Å; C561-K592 PolarHBondContact N-O 3.37Å; C561-V594 PolarHBondContact O-N 3.45Å
562V95.2Very high88.7Confident0 Ų017.9 Ų17.90%010%0.103CC..EExtended strand (participates in β ladder)trans-120126.1176.2-170.10000109.3D553 Y554 L556 I560 V594 L596 F642D553-V562 PolarHBondContact N-O 3.04Å; Y554-V562 PolarHBondContact N-O 3.44Å; Y554-V562 PolarHBondContact O-N 2.83Å; L556-V562 HydrophobicContact CD1-CG2 3.77Å; L556-V562 HydrophobicContact CG-CG2 3.99Å; I560-V562 HydrophobicContact CG2-CG2 4.46Å; V562-V594 VanDerWaalsContact CA-O 3.29Å; V562-V594 WeakPolarHBondContact CA-O 3.46Å; V562-V594 HydrophobicContact CG1-CB 4.39Å; V562-V594 HydrophobicContact CG1-CG1 4.33Å; V562-V594 HydrophobicContact CG2-CB 4.16Å; V562-L596 HydrophobicContact CG1-CB 3.65Å; V562-L596 HydrophobicContact CG1-CD2 4.48Å; V562-F642 HydrophobicContact CB-CZ 4.4Å; V562-F642 HydrophobicContact CG1-CE1 4.37Å; V562-F642 HydrophobicContact CG1-CZ 4.12Å; V562-F642 HydrophobicContact CG2-CE1 4.35Å; V562-F642 HydrophobicContact CG2-CZ 4.26Å
563E94.6Very high88.5Confident5 Ų518.1 Ų18.12%0.02310%0.103CC..EExtended strand (participates in β ladder)trans-100126.6163.6177.183.6-168.800107.7K565 Q582 M586 V594 L595 L596E563-K565 WeakPolarHBondContact OE1-CE 3.47Å; E563-K565 IonicContact OE1-NZ 3.63Å; E563-K565 PolarHBondContact OE1-NZ 3.12Å; E563-Q582 PolarHBondContact OE1-NE2 2.96Å; E563-M586 HydrophobicContact CB-CE 3.71Å; E563-M586 HydrophobicContact CB-SD 3.62Å; E563-V594 PolarHBondContact N-O 2.8Å; E563-L595 HydrophobicContact CB-CD1 4.2Å; E563-L595 HydrophobicContact CG-CD1 4.14Å; E563-L596 PolarHBondContact O-N 2.84Å
564R92.1Very high88.2Confident32 Ų3218 Ų1812%0.12110%0.103CC..EExtended strand (participates in β ladder)trans-95.5132.5175.1174.3164.8166.7-87.4-0.2109.7E528 S531 L533 D553 Y554 L596E528-R564 WeakPolarHBondContact OE1-CD 3.29Å; E528-R564 IonicContact OE1-CZ 3.09Å; E528-R564 IonicContact OE1-NE 3.63Å; E528-R564 IonicContact OE1-NH1 3.44Å; E528-R564 PolarHBondContact OE1-NH1 3.03Å; E528-R564 IonicContact OE2-NH1 3.66Å; S531-R564 PolarHBondContact OG-NH1 2.87Å; S531-R564 VanDerWaalsContact OG-NH1 3.11Å; L533-R564 VanDerWaalsContact CD2-CD 3.43Å; D553-R564 PolarHBondContact OD2-N 3.33Å; Y554-R564 HydrophobicContact CE2-CB 4.07Å; R564-L596 WeakPolarHBondContact CA-O 3.21Å; R564-L596 HydrophobicContact CB-CD2 4.36Å; R564-L596 HydrophobicContact CG-CD2 4.28Å
565K89.6Confident87.6Confident18 Ų1820.9 Ų20.98%0.07812%0.118CC..EExtended strand (participates in β ladder)trans-129.2120.4167.6-75.4-71.7165.9-96.40111.2E563 D569 L570 L579 L595 L596 I597 Q598E563-K565 WeakPolarHBondContact OE1-CE 3.47Å; E563-K565 IonicContact OE1-NZ 3.63Å; E563-K565 PolarHBondContact OE1-NZ 3.12Å; K565-D569 HydrophobicContact CD-CB 3.79Å; K565-L570 HydrophobicContact CB-CB 4.1Å; K565-L570 HydrophobicContact CB-CD1 4.38Å; K565-L579 HydrophobicContact CG-CD1 4.35Å; K565-L595 HydrophobicContact CG-CD1 4.31Å; K565-L596 PolarHBondContact N-O 3.01Å; K565-I597 WeakPolarHBondContact O-CA 3.31Å; K565-Q598 PolarHBondContact O-N 2.72Å
566A84.9Confident87.1Confident31 Ų3127.3 Ų27.326%0.25615%0.147SC..EExtended strand (participates in β ladder)trans-66.3154.916300000109.8N568 D569 L570A566-N568 PolarHBondContact O-N 2.87Å; A566-D569 PolarHBondContact O-N 3.07Å; A566-L570 WeakPolarHBondContact O-CB 3.36Å; A566-L570 PolarHBondContact O-N 3.25Å
567T81Confident86.6Confident8 Ų829 Ų295%0.04917%0.165CC..Hα-helixtrans-44-45.9179.2-51.70000113.1L570 I571 Q598 L599T567-L570 WeakPolarHBondContact O-CB 3.5Å; T567-L570 PolarHBondContact O-N 3.14Å; T567-I571 HydrophobicContact CG2-CD1 4.39Å; T567-I571 WeakPolarHBondContact O-CG1 3.48Å; T567-I571 PolarHBondContact O-N 3.5Å; T567-Q598 PolarHBondContact N-O 2.77Å; T567-Q598 VanDerWaalsContact N-O 3.15Å; T567-Q598 PolarHBondContact OG1-O 3.2Å; T567-L599 HydrophobicContact CG2-CD2 4.27Å
568N76.8Confident86.4Confident33 Ų3335.8 Ų35.818%0.17619%0.191CC..Hα-helixtrans-69.7-50.3-174.1-82.7-2.4000111.9L259 G260 T261 A566 L570 I571 G572L259-N568 PolarHBondContact O-ND2 2.94Å; G260-N568 WeakPolarHBondContact CA-ND2 3.2Å; G260-N568 PolarHBondContact O-ND2 3.44Å; T261-N568 HydrophobicContact CG2-CB 3.13Å; T261-N568 VanDerWaalsContact CG2-CG 3.44Å; T261-N568 WeakPolarHBondContact CG2-O 3.41Å; A566-N568 PolarHBondContact O-N 2.87Å; N568-L570 VanDerWaalsContact C-N 3.26Å; N568-L570 PolarHBondContact O-N 3.41Å; N568-I571 PolarHBondContact O-N 3.44Å; N568-G572 PolarHBondContact O-N 3.23Å
569D81.8Confident86.4Confident92 Ų9232.8 Ų32.849%0.49217%0.171SC..Hα-helixtrans-66.3-29.8175.9-72.7-12000112.5K565 A566 S573K565-D569 HydrophobicContact CD-CB 3.79Å; A566-D569 PolarHBondContact O-N 3.07Å; D569-S573 WeakPolarHBondContact O-CB 3.38Å; D569-S573 PolarHBondContact O-N 3.14Å; D569-S573 PolarHBondContact O-OG 3.1Å
570L86Confident86.5Confident0 Ų035 Ų350%018%0.178CC..Hα-helixtrans-62.3-47.6174.4178.565.2000110.8K565 A566 T567 N568 S573 L574 L579 I597 L609K565-L570 HydrophobicContact CB-CB 4.1Å; K565-L570 HydrophobicContact CB-CD1 4.38Å; A566-L570 WeakPolarHBondContact O-CB 3.36Å; A566-L570 PolarHBondContact O-N 3.25Å; T567-L570 WeakPolarHBondContact O-CB 3.5Å; T567-L570 PolarHBondContact O-N 3.14Å; N568-L570 VanDerWaalsContact C-N 3.26Å; N568-L570 PolarHBondContact O-N 3.41Å; L570-S573 PolarHBondContact O-N 3.37Å; L570-L574 HydrophobicContact CD1-CD1 3.87Å; L570-L574 HydrophobicContact CD1-CG 4.06Å; L570-L574 HydrophobicContact CG-CD1 3.84Å; L570-L574 HydrophobicContact CG-CG 4.41Å; L570-L574 WeakPolarHBondContact O-CB 3.29Å; L570-L574 VanDerWaalsContact O-CG 3.29Å; L570-L574 WeakPolarHBondContact O-CG 3.29Å; L570-L574 PolarHBondContact O-N 3.06Å; L570-L579 HydrophobicContact CD1-CD2 3.79Å; L570-I597 HydrophobicContact CD1-CD1 4.45Å; L570-I597 HydrophobicContact CD2-CD1 3.94Å; L570-I597 HydrophobicContact CD2-CG1 4.23Å; L570-I597 HydrophobicContact CD2-CG2 3.7Å; L570-L609 HydrophobicContact CD2-CD1 4.3Å; L570-L609 HydrophobicContact CD2-CD2 4.24Å
571I82.5Confident86.3Confident1 Ų137.9 Ų37.91%0.00520%0.199CC..Hα-helixtrans-58.1-54.6178.4-69.1165.9000109.6D265 T567 N568 S573 L574 I575 K608 L613D265-I571 HydrophobicContact CB-CG2 3.86Å; T567-I571 HydrophobicContact CG2-CD1 4.39Å; T567-I571 WeakPolarHBondContact O-CG1 3.48Å; T567-I571 PolarHBondContact O-N 3.5Å; N568-I571 PolarHBondContact O-N 3.44Å; I571-S573 VanDerWaalsContact C-N 3.33Å; I571-S573 PolarHBondContact O-N 3.45Å; I571-L574 PolarHBondContact O-N 2.93Å; I571-I575 HydrophobicContact CG2-CD1 3.7Å; I571-I575 VanDerWaalsContact O-CG1 3.28Å; I571-I575 WeakPolarHBondContact O-CG1 3.27Å; I571-I575 PolarHBondContact O-N 3.29Å; I571-K608 HydrophobicContact CD1-CB 4.21Å; I571-L613 HydrophobicContact CB-CD1 4.18Å; I571-L613 HydrophobicContact CG1-CD1 3.91Å; I571-L613 HydrophobicContact CG2-CD1 3.72Å
572G81.1Confident86.2Confident13 Ų1339.4 Ų39.413%0.13421%0.206CC..Hα-helixtrans-58.7-44.2179.100000112.1N568 L574 I575 H576N568-G572 PolarHBondContact O-N 3.23Å; G572-L574 PolarHBondContact O-N 3.3Å; G572-I575 PolarHBondContact O-N 2.85Å; G572-H576 PolarHBondContact O-N 2.98Å; G572-H576 PolarHBondContact O-ND1 2.86Å
573S85.8Confident86.1Confident11 Ų1139.4 Ų39.48%0.07721%0.206CC..Hα-helixtrans-69.3-32.2-178-57.10000113.3D569 L570 I571 G577 R578 L579D569-S573 WeakPolarHBondContact O-CB 3.38Å; D569-S573 PolarHBondContact O-N 3.14Å; D569-S573 PolarHBondContact O-OG 3.1Å; L570-S573 PolarHBondContact O-N 3.37Å; I571-S573 VanDerWaalsContact C-N 3.33Å; I571-S573 PolarHBondContact O-N 3.45Å; S573-G577 CarbonylContact O-C 3.55Å; S573-G577 PolarHBondContact O-N 3.47Å; S573-G577 VanDerWaalsContact O-N 3.14Å; S573-R578 PolarHBondContact O-N 2.6Å; S573-R578 VanDerWaalsContact O-N 3.13Å; S573-L579 PolarHBondContact O-N 3.21Å
574L85.5Confident85.9Confident11 Ų1143.7 Ų43.76%0.05823%0.226CC..Hα-helixtrans-72.8-35.4173.3-77.1171.6000112.1L570 I571 G572 L579 L609 L613 R616 L617L570-L574 HydrophobicContact CD1-CD1 3.87Å; L570-L574 HydrophobicContact CD1-CG 4.06Å; L570-L574 HydrophobicContact CG-CD1 3.84Å; L570-L574 HydrophobicContact CG-CG 4.41Å; L570-L574 WeakPolarHBondContact O-CB 3.29Å; L570-L574 VanDerWaalsContact O-CG 3.29Å; L570-L574 WeakPolarHBondContact O-CG 3.29Å; L570-L574 PolarHBondContact O-N 3.06Å; I571-L574 PolarHBondContact O-N 2.93Å; G572-L574 PolarHBondContact O-N 3.3Å; L574-L579 HydrophobicContact CD2-CD2 3.72Å; L574-L579 HydrophobicContact CG-CD2 4.09Å; L574-L609 HydrophobicContact CD1-CD2 4.21Å; L574-L613 HydrophobicContact CB-CD2 4.14Å; L574-L613 HydrophobicContact CD1-CB 4.23Å; L574-R616 HydrophobicContact CD2-CB 4.27Å; L574-R616 PolarHBondContact O-NH1 2.98Å; L574-L617 HydrophobicContact CD1-CD1 4.49Å; L574-L617 HydrophobicContact CD2-CD1 4.48Å
575I81.4Confident85.8Confident61 Ų6143.7 Ų43.731%0.31323%0.232SC..Hα-helixtrans-66.1-50.2178.1-71.2169.7000110.2D265 I571 G572 L613 R616D265-I575 HydrophobicContact CB-CD1 4.01Å; I571-I575 HydrophobicContact CG2-CD1 3.7Å; I571-I575 VanDerWaalsContact O-CG1 3.28Å; I571-I575 WeakPolarHBondContact O-CG1 3.27Å; I571-I575 PolarHBondContact O-N 3.29Å; G572-I575 PolarHBondContact O-N 2.85Å; I575-L613 HydrophobicContact CG1-CD2 3.77Å; I575-R616 VanDerWaalsContact CA-NH1 3.28Å; I575-R616 PolarHBondContact O-NH1 2.95Å
576H82.4Confident85.9Confident138 Ų13842.8 Ų42.864%0.63923%0.229SC*.SBendtrans-86.7-1.8-173.5-58.992.7000114D265 G572 R578D265-H576 IonicContact OD1-CE1 3.69Å; G572-H576 PolarHBondContact O-N 2.98Å; G572-H576 PolarHBondContact O-ND1 2.86Å; H576-R578 PolarHBondContact O-N 3.26Å
577G82.8Confident86.2Confident37 Ų3742.5 Ų42.538%0.38122%0.224SC..SBendtrans75.41.1178.600000115.1S573 L579 Y580S573-G577 CarbonylContact O-C 3.55Å; S573-G577 PolarHBondContact O-N 3.47Å; S573-G577 VanDerWaalsContact O-N 3.14Å; G577-L579 VanDerWaalsContact C-N 3.26Å; G577-L579 PolarHBondContact O-N 3.24Å; G577-Y580 VanDerWaalsContact O-CB 3.32Å; G577-Y580 WeakPolarHBondContact O-CB 3.2Å; G577-Y580 PolarHBondContact O-N 2.85Å; G577-Y580 VanDerWaalsContact O-N 3.08Å
578R85.1Confident86.6Confident141 Ų14146.5 Ų46.553%0.53225%0.253SS..Hα-helixtrans-56.2-41.1178.8-177.4178.1175.1175.8-1.1112.1S573 H576 Y580 S581 Q582S573-R578 PolarHBondContact O-N 2.6Å; S573-R578 VanDerWaalsContact O-N 3.13Å; H576-R578 PolarHBondContact O-N 3.26Å; R578-Y580 PolarHBondContact O-N 3.15Å; R578-S581 PolarHBondContact O-N 2.78Å; R578-S581 PolarHBondContact O-OG 3.25Å; R578-Q582 HydrophobicContact CG-CG 4.39Å; R578-Q582 WeakPolarHBondContact O-CG 3.42Å; R578-Q582 PolarHBondContact O-N 3.47Å; R578-Q582 VanDerWaalsContact O-N 3.14Å
579L89.8Confident87.1Confident1 Ų148.8 Ų48.81%0.00526%0.262CS..Hα-helixtrans-60.5-33.5-179.3-171.464.6000112.2K565 L570 S573 L574 G577 Q582 C583 L595 L620K565-L579 HydrophobicContact CG-CD1 4.35Å; L570-L579 HydrophobicContact CD1-CD2 3.79Å; S573-L579 PolarHBondContact O-N 3.21Å; L574-L579 HydrophobicContact CD2-CD2 3.72Å; L574-L579 HydrophobicContact CG-CD2 4.09Å; G577-L579 VanDerWaalsContact C-N 3.26Å; G577-L579 PolarHBondContact O-N 3.24Å; L579-Q582 PolarHBondContact O-N 3.22Å; L579-C583 WeakPolarHBondContact O-CB 3.28Å; L579-C583 PolarHBondContact O-N 3.32Å; L579-C583 PolarHBondContact O-SG 3.06Å; L579-L595 HydrophobicContact CD1-CD1 3.95Å; L579-L595 HydrophobicContact CD1-CD2 4.24Å; L579-L595 HydrophobicContact CD2-CD2 3.98Å; L579-L620 HydrophobicContact CB-CD1 4.37Å; L579-L620 HydrophobicContact CD2-CD1 3.89Å; L579-L620 HydrophobicContact CG-CD1 3.89Å
580Y91.1Very high87.5Confident99 Ų9944.8 Ų44.839%0.38824%0.24SC..Hα-helixtrans-62.1-50.6178.3-175.7-90.8000111.4G577 R578 Q582 C583 E584 K623 F624G577-Y580 VanDerWaalsContact O-CB 3.32Å; G577-Y580 WeakPolarHBondContact O-CB 3.2Å; G577-Y580 PolarHBondContact O-N 2.85Å; G577-Y580 VanDerWaalsContact O-N 3.08Å; R578-Y580 PolarHBondContact O-N 3.15Å; Y580-Q582 VanDerWaalsContact C-N 3.28Å; Y580-Q582 PolarHBondContact O-N 3.1Å; Y580-C583 PolarHBondContact O-N 2.92Å; Y580-E584 WeakPolarHBondContact O-CB 3.43Å; Y580-E584 PolarHBondContact O-N 3.34Å; Y580-K623 HydrophobicContact CE2-CG 4.13Å; Y580-F624 AromaticContact CD2-CE2 3.87Å; Y580-F624 HydrophobicContact CD2-CE2 3.87Å; Y580-F624 HydrophobicContact CD2-CZ 4.36Å; Y580-F624 HydrophobicContact CE1-CZ 4.44Å; Y580-F624 AromaticContact CE2-CE2 3.66Å; Y580-F624 HydrophobicContact CE2-CE2 3.66Å; Y580-F624 AromaticContact CE2-CZ 3.88Å; Y580-F624 HydrophobicContact CE2-CZ 3.88Å; Y580-F624 AromaticContact CZ-CZ 3.93Å
581S89.9Confident87.7Confident63 Ų6352.5 Ų52.544%0.44127%0.274SS..Hα-helixtrans-61.8-35.8177.961.70000112.7R578 A585R578-S581 PolarHBondContact O-N 2.78Å; R578-S581 PolarHBondContact O-OG 3.25Å; S581-A585 WeakPolarHBondContact O-CB 3.25Å; S581-A585 PolarHBondContact O-N 2.83Å
582Q91.4Very high88.2Confident32 Ų3257 Ų5715%0.1529%0.293CS..Hα-helixtrans-68.2-44.8176.4-67179.3-6400111.6E563 R578 L579 Y580 A585 M586E563-Q582 PolarHBondContact OE1-NE2 2.96Å; R578-Q582 HydrophobicContact CG-CG 4.39Å; R578-Q582 WeakPolarHBondContact O-CG 3.42Å; R578-Q582 PolarHBondContact O-N 3.47Å; R578-Q582 VanDerWaalsContact O-N 3.14Å; L579-Q582 PolarHBondContact O-N 3.22Å; Y580-Q582 VanDerWaalsContact C-N 3.28Å; Y580-Q582 PolarHBondContact O-N 3.1Å; Q582-A585 PolarHBondContact O-N 3.25Å; Q582-M586 WeakPolarHBondContact O-CG 3.43Å; Q582-M586 PolarHBondContact O-N 2.91Å
583C91.8Very high88.9Confident0 Ų056.4 Ų56.40%029%0.287CS..Hα-helixtrans-65-38.7176.6-690000112.3L579 Y580 M586 C587 L620 F624 L627L579-C583 WeakPolarHBondContact O-CB 3.28Å; L579-C583 PolarHBondContact O-N 3.32Å; L579-C583 PolarHBondContact O-SG 3.06Å; Y580-C583 PolarHBondContact O-N 2.92Å; C583-M586 HydrophobicContact CB-CE 4.41Å; C583-M586 PolarHBondContact O-N 3.25Å; C583-C587 WeakPolarHBondContact O-CB 3.48Å; C583-C587 PolarHBondContact O-N 2.65Å; C583-C587 PolarHBondContact O-SG 3.01Å; C583-C587 VanDerWaalsContact O-SG 3.35Å; C583-L620 HydrophobicContact CB-CD2 4.18Å; C583-F624 HydrophobicContact CB-CD2 4.12Å; C583-F624 HydrophobicContact CB-CE2 4.11Å; C583-L627 HydrophobicContact CB-CD2 4.49Å
584E91.8Very high89.3Confident96 Ų9656.3 Ų56.345%0.44929%0.286SS..Hα-helixtrans-59.9-46.9174-177171.3-139.200111.6Y580 M586 C587 S588 F624Y580-E584 WeakPolarHBondContact O-CB 3.43Å; Y580-E584 PolarHBondContact O-N 3.34Å; E584-M586 PolarHBondContact O-N 3.07Å; E584-C587 PolarHBondContact O-N 3.18Å; E584-S588 WeakPolarHBondContact O-CB 3.41Å; E584-S588 PolarHBondContact O-N 3.39Å; E584-S588 VanDerWaalsContact O-N 3.1Å; E584-S588 PolarHBondContact O-OG 3.41Å; E584-F624 HydrophobicContact CB-CE1 4.24Å; E584-F624 HydrophobicContact CB-CZ 3.94Å
585A90.3Very high89.7Confident31 Ų3155.8 Ų55.826%0.25628%0.283SS..Hα-helixtrans-62.1-42.8175.900000112V551 S581 Q582 S588 H589V551-A585 HydrophobicContact CG1-CB 4.13Å; V551-A585 HydrophobicContact CG2-CB 4.11Å; S581-A585 WeakPolarHBondContact O-CB 3.25Å; S581-A585 PolarHBondContact O-N 2.83Å; Q582-A585 PolarHBondContact O-N 3.25Å; A585-S588 PolarHBondContact O-N 3.15Å; A585-H589 PolarHBondContact O-N 3.49Å; A585-H589 PolarHBondContact O-ND1 3.29Å
586M91.3Very high90.3Very high0 Ų053 Ų530%027%0.269CS..Hα-helixtrans-64.7-46.8177.9-74-166.9-6700112.8V551 E563 Q582 C583 E584 S588 H589 Y590 P593 L627V551-M586 HydrophobicContact CG1-CB 4.38Å; V551-M586 HydrophobicContact CG1-CG 3.84Å; E563-M586 HydrophobicContact CB-CE 3.71Å; E563-M586 HydrophobicContact CB-SD 3.62Å; Q582-M586 WeakPolarHBondContact O-CG 3.43Å; Q582-M586 PolarHBondContact O-N 2.91Å; C583-M586 HydrophobicContact CB-CE 4.41Å; C583-M586 PolarHBondContact O-N 3.25Å; E584-M586 PolarHBondContact O-N 3.07Å; M586-S588 PolarHBondContact O-N 3.46Å; M586-H589 PolarHBondContact O-N 3.47Å; M586-Y590 PolarHBondContact O-N 2.77Å; M586-P593 HydrophobicContact CB-CB 3.84Å; M586-L627 HydrophobicContact CE-CD1 4.26Å
587C91.1Very high90.7Very high25 Ų2546.4 Ų46.417%0.16924%0.239CC..Hα-helixtrans-65.4-27.3179.7-72.70000112.9C583 E584 P593 F624C583-C587 WeakPolarHBondContact O-CB 3.48Å; C583-C587 PolarHBondContact O-N 2.65Å; C583-C587 PolarHBondContact O-SG 3.01Å; C583-C587 VanDerWaalsContact O-SG 3.35Å; E584-C587 PolarHBondContact O-N 3.18Å; C587-P593 VanDerWaalsContact SG-CG 3.58Å; C587-F624 HydrophobicContact CB-CD1 4.22Å
588S89.7Confident90.8Very high92 Ų9245.7 Ų45.764%0.64323%0.225SC*.Hα-helixtrans-75.2-36.4178.6-58.20000112.4E584 A585 M586E584-S588 WeakPolarHBondContact O-CB 3.41Å; E584-S588 PolarHBondContact O-N 3.39Å; E584-S588 VanDerWaalsContact O-N 3.1Å; E584-S588 PolarHBondContact O-OG 3.41Å; A585-S588 PolarHBondContact O-N 3.15Å; M586-S588 PolarHBondContact O-N 3.46Å
589H87.2Confident90.5Very high80 Ų8039 Ų3937%0.3720%0.2SC..Hα-helixtrans-99.3-28.1-173.4-64.588.4000114A585 M586A585-H589 PolarHBondContact O-N 3.49Å; A585-H589 PolarHBondContact O-ND1 3.29Å; M586-H589 PolarHBondContact O-N 3.47Å
590Y90Very high89.5Confident8 Ų847.2 Ų47.23%0.03124%0.238CC..  trans-121.9137.6-174-66.9-83000112.3V551 I555 C561 M586 K592 L660V551-Y590 HydrophobicContact CG1-CD2 4.47Å; V551-Y590 HydrophobicContact CG1-CE2 4.27Å; I555-Y590 VanDerWaalsContact CD1-OH 3.24Å; I555-Y590 WeakPolarHBondContact CD1-OH 3.39Å; C561-Y590 HydrophobicContact CB-CD1 3.88Å; C561-Y590 HydrophobicContact CB-CD2 3.35Å; C561-Y590 HydrophobicContact CB-CE1 4.23Å; C561-Y590 HydrophobicContact CB-CE2 3.73Å; C561-Y590 HydrophobicContact CB-CG 3.42Å; C561-Y590 VanDerWaalsContact CB-CG 3.42Å; M586-Y590 PolarHBondContact O-N 2.77Å; Y590-K592 PolarHBondContact O-N 2.88Å; Y590-L660 HydrophobicContact CE1-CD1 4.42Å
591K90.4Very high88.4Confident162 Ų16245.9 Ų45.970%0.70424%0.238SC*.SBendtrans-68.6-32.3179.8-172.9176.5-178.7176.30113.4H559H559-K591 HydrophobicContact CB-CB 4.34Å
592K92.5Very high87Confident96 Ų9648 Ų4842%0.41724%0.239SC..EExtended strand (participates in β ladder)trans-12781.5179.5-69.7-170.5178-179.40110.7H559 I560 C561 Y590H559-K592 PolarHBondContact O-N 3.42Å; I560-K592 WeakPolarHBondContact CA-O 3.23Å; I560-K592 HydrophobicContact CG1-CB 4.45Å; C561-K592 PolarHBondContact N-O 3.37Å; Y590-K592 PolarHBondContact O-N 2.88Å
593P94.7Very high85.6Confident0 Ų056 Ų560%027%0.268CS..EExtended strand (participates in β ladder)trans-77.3132.117330.9-30.9000110.4M586 C587 Q626 L627 S628M586-P593 HydrophobicContact CB-CB 3.84Å; C587-P593 VanDerWaalsContact SG-CG 3.58Å; P593-Q626 HydrophobicContact CG-CB 4.48Å; P593-L627 HydrophobicContact CB-CD1 3.99Å; P593-L627 HydrophobicContact CG-CD1 4.25Å; P593-S628 PolarHBondContact O-N 3.43Å
594V95Very high84.3Confident10 Ų1064.7 Ų64.76%0.06130%0.301CS..EExtended strand (participates in β ladder)trans-119.6127179.7-178.10000109I560 C561 V562 E563 S628 V630I560-V594 HydrophobicContact CG2-CG2 4.2Å; C561-V594 PolarHBondContact O-N 3.45Å; V562-V594 VanDerWaalsContact CA-O 3.29Å; V562-V594 WeakPolarHBondContact CA-O 3.46Å; V562-V594 HydrophobicContact CG1-CB 4.39Å; V562-V594 HydrophobicContact CG1-CG1 4.33Å; V562-V594 HydrophobicContact CG2-CB 4.16Å; E563-V594 PolarHBondContact N-O 2.8Å; V594-S628 CarbonylContact C-O 3.5Å; V594-S628 WeakPolarHBondContact CA-O 3.41Å; V594-V630 HydrophobicContact CG1-CB 4.19Å; V594-V630 HydrophobicContact CG1-CG2 3.6Å
595L94.7Very high82.9Confident0 Ų060.5 Ų60.50%028%0.282CS..EExtended strand (participates in β ladder)trans-100.5111.1168.9177.462.5000108.6E563 K565 L579 I597 L627 S628 L629 V630E563-L595 HydrophobicContact CB-CD1 4.2Å; E563-L595 HydrophobicContact CG-CD1 4.14Å; K565-L595 HydrophobicContact CG-CD1 4.31Å; L579-L595 HydrophobicContact CD1-CD1 3.95Å; L579-L595 HydrophobicContact CD1-CD2 4.24Å; L579-L595 HydrophobicContact CD2-CD2 3.98Å; L595-I597 HydrophobicContact CD2-CD1 4.34Å; L595-I597 HydrophobicContact CD2-CG1 4.46Å; L595-I597 HydrophobicContact CG-CD1 4.48Å; L595-I597 HydrophobicContact CG-CG1 4.13Å; L595-L627 HydrophobicContact CB-CD1 4.19Å; L595-L627 HydrophobicContact CB-CD2 4.46Å; L595-L627 HydrophobicContact CB-CG 4.48Å; L595-S628 PolarHBondContact N-O 2.91Å; L595-L629 HydrophobicContact CB-CD2 4.07Å; L595-L629 HydrophobicContact CD2-CD2 3.74Å; L595-L629 HydrophobicContact CG-CD2 4.11Å; L595-V630 PolarHBondContact O-N 3.08Å
596L94.1Very high81.7Confident2 Ų264.3 Ų64.31%0.0129%0.29CS..EExtended strand (participates in β ladder)trans-92.5113.1178.5178.171.3000109.9L533 V562 E563 R564 K565 V630 T632 V638 F642L533-L596 HydrophobicContact CD2-CD2 4.31Å; V562-L596 HydrophobicContact CG1-CB 3.65Å; V562-L596 HydrophobicContact CG1-CD2 4.48Å; E563-L596 PolarHBondContact O-N 2.84Å; R564-L596 WeakPolarHBondContact CA-O 3.21Å; R564-L596 HydrophobicContact CB-CD2 4.36Å; R564-L596 HydrophobicContact CG-CD2 4.28Å; K565-L596 PolarHBondContact N-O 3.01Å; L596-V630 HydrophobicContact CD1-CB 4.05Å; L596-V630 HydrophobicContact CD1-CG1 3.61Å; L596-T632 HydrophobicContact CD1-CG2 3.71Å; L596-V638 HydrophobicContact CD1-CG1 4.48Å; L596-V638 HydrophobicContact CD1-CG2 4.21Å; L596-V638 HydrophobicContact CD2-CB 4.39Å; L596-V638 HydrophobicContact CD2-CG1 3.46Å; L596-V638 VanDerWaalsContact CD2-CG1 3.46Å; L596-V638 HydrophobicContact CD2-CG2 3.94Å; L596-F642 HydrophobicContact CD2-CE1 4.32Å; L596-F642 HydrophobicContact CD2-CZ 4.26Å
597I90.1Very high80.5Confident0 Ų071.9 Ų71.90%033%0.325CS..EExtended strand (participates in β ladder)trans-105.1115.5178.4-57.8172.2000109.5K565 L570 L595 L599 L617 L629 V630 W631 T632K565-I597 WeakPolarHBondContact O-CA 3.31Å; L570-I597 HydrophobicContact CD1-CD1 4.45Å; L570-I597 HydrophobicContact CD2-CD1 3.94Å; L570-I597 HydrophobicContact CD2-CG1 4.23Å; L570-I597 HydrophobicContact CD2-CG2 3.7Å; L595-I597 HydrophobicContact CD2-CD1 4.34Å; L595-I597 HydrophobicContact CD2-CG1 4.46Å; L595-I597 HydrophobicContact CG-CD1 4.48Å; L595-I597 HydrophobicContact CG-CG1 4.13Å; I597-L599 HydrophobicContact CG2-CD2 3.9Å; I597-L599 HydrophobicContact CG2-CG 4.13Å; I597-L617 HydrophobicContact CD1-CD1 4.26Å; I597-L617 HydrophobicContact CD1-CD2 4.44Å; I597-L629 HydrophobicContact CD1-CD2 3.82Å; I597-V630 PolarHBondContact N-O 2.91Å; I597-W631 HydrophobicContact CB-CD2 4.3Å; I597-W631 HydrophobicContact CB-CE3 3.7Å; I597-W631 HydrophobicContact CB-CZ3 3.88Å; I597-W631 HydrophobicContact CD1-CD2 4.43Å; I597-W631 HydrophobicContact CD1-CE3 4.1Å; I597-W631 HydrophobicContact CD1-CH2 3.48Å; I597-W631 VanDerWaalsContact CD1-CH2 3.48Å; I597-W631 HydrophobicContact CD1-CZ2 3.83Å; I597-W631 HydrophobicContact CD1-CZ3 3.64Å; I597-W631 HydrophobicContact CG1-CE3 4.49Å; I597-W631 HydrophobicContact CG1-CZ3 4.36Å; I597-W631 HydrophobicContact CG2-CE3 3.63Å; I597-W631 HydrophobicContact CG2-CH2 4.41Å; I597-W631 HydrophobicContact CG2-CZ3 3.48Å; I597-W631 VanDerWaalsContact CG2-CZ3 3.48Å; I597-W631 WeakPolarHBondContact O-CA 3.04Å; I597-T632 PolarHBondContact O-N 2.85Å
598Q84.2Confident79.2Confident22 Ų2274.5 Ų74.510%0.10333%0.334CS..EExtended strand (participates in β ladder)trans-98.4116.4178.3-167.8176.93.400110.7K565 T567 T632 S635K565-Q598 PolarHBondContact O-N 2.72Å; T567-Q598 PolarHBondContact N-O 2.77Å; T567-Q598 VanDerWaalsContact N-O 3.15Å; T567-Q598 PolarHBondContact OG1-O 3.2Å; Q598-T632 CarbonylContact C-O 3.52Å; Q598-T632 WeakPolarHBondContact CA-O 3.46Å; Q598-S635 VanDerWaalsContact NE2-N 3.19Å
599L78.8Confident78.1Confident1 Ų170.5 Ų70.51%0.00531%0.305CS..  trans-111.6104.2-179.4-58.1174000110.1T567 I597 N601 F602 W631 T632 V633T567-L599 HydrophobicContact CG2-CD2 4.27Å; I597-L599 HydrophobicContact CG2-CD2 3.9Å; I597-L599 HydrophobicContact CG2-CG 4.13Å; L599-N601 PolarHBondContact O-N 3.38Å; L599-F602 HydrophobicContact CD1-CD2 3.45Å; L599-F602 VanDerWaalsContact CD1-CD2 3.45Å; L599-F602 HydrophobicContact CD1-CE2 3.73Å; L599-F602 HydrophobicContact CD1-CG 4.33Å; L599-W631 HydrophobicContact CD1-CE3 3.53Å; L599-W631 HydrophobicContact CD1-CZ3 3.84Å; L599-W631 HydrophobicContact CD2-CZ3 4.38Å; L599-W631 HydrophobicContact CG-CE3 4.1Å; L599-W631 HydrophobicContact CG-CZ3 4.36Å; L599-T632 PolarHBondContact N-O 3.36Å; L599-V633 WeakPolarHBondContact O-CA 3.03Å
600E69.1Low77.3Confident173 Ų17368.1 Ų68.181%0.80830%0.302SS*.SBendtrans-55.7-39.3178.5-65.8-177168.500112.7
601N67.6Low76.5Confident70 Ų7074.9 Ų74.937%0.37434%0.339SS..SBendtrans-138.8108.9173.2-176.2-38.8000108.8L599 R603 R604 S605L599-N601 PolarHBondContact O-N 3.38Å; N601-R603 PolarHBondContact O-N 3.15Å; N601-R603 PolarHBondContact OD1-N 2.61Å; N601-R604 HydrophobicContact CB-CB 4.25Å; N601-R604 PolarHBondContact O-N 3.06Å; N601-R604 PolarHBondContact OD1-N 2.79Å; N601-S605 WeakPolarHBondContact O-CB 3.48Å; N601-S605 PolarHBondContact O-N 2.82Å; N601-S605 PolarHBondContact O-OG 3.39Å
602F60.9Low75.8Confident108 Ų10877.6 Ų77.647%0.47435%0.345SS..Hα-helixtrans-53.1-49.5-174.6-168.2-89.6000112.4L599 S605 W606L599-F602 HydrophobicContact CD1-CD2 3.45Å; L599-F602 VanDerWaalsContact CD1-CD2 3.45Å; L599-F602 HydrophobicContact CD1-CE2 3.73Å; L599-F602 HydrophobicContact CD1-CG 4.33Å; F602-S605 PolarHBondContact O-N 3.2Å; F602-W606 HydrophobicContact CZ-CE3 4.23Å; F602-W606 VanDerWaalsContact O-CB 3.25Å; F602-W606 WeakPolarHBondContact O-CB 3.3Å; F602-W606 PolarHBondContact O-N 3.44Å
603R62.1Low75.1Confident200 Ų20073.9 Ų73.976%0.75533%0.329SS*.Hα-helixtrans-64.6-51.1-177.3-71.9-170.3-179.7-167.71.1112.2N601 S605 W606 H607N601-R603 PolarHBondContact O-N 3.15Å; N601-R603 PolarHBondContact OD1-N 2.61Å; R603-S605 VanDerWaalsContact C-N 3.32Å; R603-S605 PolarHBondContact O-N 3.33Å; R603-W606 PolarHBondContact O-N 2.95Å; R603-H607 PolarHBondContact O-CD2 2.87Å; R603-H607 PolarHBondContact O-N 3.42Å; R603-H607 VanDerWaalsContact O-N 3.16Å
604R64.6Low74.5Confident182 Ų18275.2 Ų75.269%0.68734%0.34SS*.Hα-helixtrans-64.7-39.5-179.4-70.3-175-178.6166.30.9111.8N601 K608N601-R604 HydrophobicContact CB-CB 4.25Å; N601-R604 PolarHBondContact O-N 3.06Å; N601-R604 PolarHBondContact OD1-N 2.79Å; R604-K608 WeakPolarHBondContact O-CG 3.27Å; R604-K608 PolarHBondContact O-N 2.78Å; R604-K608 VanDerWaalsContact O-N 3.09Å
605S63.3Low74.1Confident9 Ų977.2 Ų77.26%0.06336%0.358CS..Hα-helixtrans-71.1-38.5-178.2-56.30000111.9N601 F602 R603 K608 L609N601-S605 WeakPolarHBondContact O-CB 3.48Å; N601-S605 PolarHBondContact O-N 2.82Å; N601-S605 PolarHBondContact O-OG 3.39Å; F602-S605 PolarHBondContact O-N 3.2Å; R603-S605 VanDerWaalsContact C-N 3.32Å; R603-S605 PolarHBondContact O-N 3.33Å; S605-K608 WeakPolarHBondContact O-CB 3.5Å; S605-K608 PolarHBondContact O-N 2.92Å; S605-L609 PolarHBondContact O-N 3.35Å
606W64.7Low73.7Confident111 Ų11183 Ų8342%0.4238%0.379SS..Hα-helixtrans-65.7-42.2176.4-159.8-96.1000112.1F602 R603 K608 L609 G610 W631F602-W606 HydrophobicContact CZ-CE3 4.23Å; F602-W606 VanDerWaalsContact O-CB 3.25Å; F602-W606 WeakPolarHBondContact O-CB 3.3Å; F602-W606 PolarHBondContact O-N 3.44Å; R603-W606 PolarHBondContact O-N 2.95Å; W606-K608 VanDerWaalsContact C-N 3.26Å; W606-K608 PolarHBondContact O-N 3.46Å; W606-L609 PolarHBondContact O-N 3.02Å; W606-G610 PolarHBondContact O-N 2.88Å; W606-W631 HydrophobicContact CE3-CZ3 4.48Å; W606-W631 HydrophobicContact CH2-CH2 4.16Å; W606-W631 HydrophobicContact CH2-CZ2 4.41Å; W606-W631 AromaticContact CZ3-CH2 3.54Å; W606-W631 HydrophobicContact CZ3-CH2 3.54Å; W606-W631 HydrophobicContact CZ3-CZ2 4.09Å; W606-W631 AromaticContact CZ3-CZ3 3.8Å; W606-W631 HydrophobicContact CZ3-CZ3 3.8Å
607H66.5Low73.4Confident158 Ų15883.4 Ų83.473%0.73138%0.382SS*.Hα-helixtrans-62.2-33.3172.4-74.2-59.8000112.7R603 G610R603-H607 PolarHBondContact O-CD2 2.87Å; R603-H607 PolarHBondContact O-N 3.42Å; R603-H607 VanDerWaalsContact O-N 3.16Å; H607-G610 PolarHBondContact O-N 2.89Å
608K63.3Low73.4Confident81 Ų8187.2 Ų87.235%0.35241%0.405SS..Hα-helixtrans-69.1-36.3174-77.4-178.2176.9-1720113.2I266 I571 R604 S605 W606 G610I266-K608 HydrophobicContact CD1-CD 4.5Å; I571-K608 HydrophobicContact CD1-CB 4.21Å; R604-K608 WeakPolarHBondContact O-CG 3.27Å; R604-K608 PolarHBondContact O-N 2.78Å; R604-K608 VanDerWaalsContact O-N 3.09Å; S605-K608 WeakPolarHBondContact O-CB 3.5Å; S605-K608 PolarHBondContact O-N 2.92Å; W606-K608 VanDerWaalsContact C-N 3.26Å; W606-K608 PolarHBondContact O-N 3.46Å; K608-G610 VanDerWaalsContact C-N 3.29Å; K608-G610 PolarHBondContact O-N 3.49Å
609L66.2Low73.6Confident7 Ų790.2 Ų90.24%0.03743%0.427CS..Hα-helixtrans-60.9-43.1174.2-97.8123.1000110.5L570 L574 S605 W606 L613L570-L609 HydrophobicContact CD2-CD1 4.3Å; L570-L609 HydrophobicContact CD2-CD2 4.24Å; L574-L609 HydrophobicContact CD1-CD2 4.21Å; S605-L609 PolarHBondContact O-N 3.35Å; W606-L609 PolarHBondContact O-N 3.02Å; L609-L613 HydrophobicContact CB-CB 4.42Å; L609-L613 HydrophobicContact CD2-CB 3.88Å; L609-L613 HydrophobicContact CG-CB 4.45Å; L609-L613 WeakPolarHBondContact O-CB 3.17Å; L609-L613 VanDerWaalsContact O-CD1 3.3Å; L609-L613 WeakPolarHBondContact O-CD1 3.37Å; L609-L613 VanDerWaalsContact O-CG 3.26Å; L609-L613 WeakPolarHBondContact O-CG 3.24Å
610G70.2Confident74.2Confident30 Ų3090.7 Ų90.731%0.30943%0.43SS..Hα-helixtrans60.2175.1-177.400000113.2W606 H607 K608 R612 L613 A614W606-G610 PolarHBondContact O-N 2.88Å; H607-G610 PolarHBondContact O-N 2.89Å; K608-G610 VanDerWaalsContact C-N 3.29Å; K608-G610 PolarHBondContact O-N 3.49Å; G610-R612 VanDerWaalsContact C-N 3.28Å; G610-R612 PolarHBondContact O-N 3.35Å; G610-L613 PolarHBondContact O-N 3.1Å; G610-A614 WeakPolarHBondContact O-CB 3.46Å; G610-A614 PolarHBondContact O-N 3.47Å; G610-A614 VanDerWaalsContact O-N 3.13Å
611D73.5Confident75.1Confident150 Ų15084.6 Ų84.680%0.80241%0.405SS*.Hα-helixtrans-66.4-32.5-171-59.1-23.6000112.6A615D611-A615 WeakPolarHBondContact O-CB 3.41Å; D611-A615 PolarHBondContact O-N 3.13Å
612R75Confident76.3Confident219 Ų21987.8 Ų87.883%0.82642%0.421SS*.Hα-helixtrans-68.5-43.4-178.4-74.3-175172.3-174.3-1.5112.9G610 R616G610-R612 VanDerWaalsContact C-N 3.28Å; G610-R612 PolarHBondContact O-N 3.35Å; R612-R616 WeakPolarHBondContact O-CG 3.44Å; R612-R616 PolarHBondContact O-N 2.93Å
613L78.7Confident77.7Confident19 Ų1988.8 Ų88.810%0.09943%0.425CS..Hα-helixtrans-78.1-32.9180-56.4173000110.9I571 L574 I575 L609 G610 A615 R616 L617I571-L613 HydrophobicContact CB-CD1 4.18Å; I571-L613 HydrophobicContact CG1-CD1 3.91Å; I571-L613 HydrophobicContact CG2-CD1 3.72Å; L574-L613 HydrophobicContact CB-CD2 4.14Å; L574-L613 HydrophobicContact CD1-CB 4.23Å; I575-L613 HydrophobicContact CG1-CD2 3.77Å; L609-L613 HydrophobicContact CB-CB 4.42Å; L609-L613 HydrophobicContact CD2-CB 3.88Å; L609-L613 HydrophobicContact CG-CB 4.45Å; L609-L613 WeakPolarHBondContact O-CB 3.17Å; L609-L613 VanDerWaalsContact O-CD1 3.3Å; L609-L613 WeakPolarHBondContact O-CD1 3.37Å; L609-L613 VanDerWaalsContact O-CG 3.26Å; L609-L613 WeakPolarHBondContact O-CG 3.24Å; G610-L613 PolarHBondContact O-N 3.1Å; L613-A615 VanDerWaalsContact C-N 3.32Å; L613-A615 PolarHBondContact O-N 3.21Å; L613-R616 PolarHBondContact O-N 3.35Å; L613-L617 PolarHBondContact O-N 3.29Å
614A82.5Confident79.2Confident27 Ų2780.3 Ų80.322%0.22339%0.394CS..Hα-helixtrans-58.2-45.3169.400000111.3G610 R616 L617 V618G610-A614 WeakPolarHBondContact O-CB 3.46Å; G610-A614 PolarHBondContact O-N 3.47Å; G610-A614 VanDerWaalsContact O-N 3.13Å; A614-R616 VanDerWaalsContact C-N 3.35Å; A614-R616 PolarHBondContact O-N 3.12Å; A614-L617 WeakPolarHBondContact O-CB 3.29Å; A614-L617 PolarHBondContact O-N 3.42Å; A614-V618 WeakPolarHBondContact O-CG2 3.19Å; A614-V618 PolarHBondContact O-N 3.22Å
615A85.8Confident80.4Confident52 Ų5277.1 Ų77.143%0.4340%0.396SS..Hα-helixtrans-60.4-41.9175.400000112.4D611 L613 L617 V618 C619D611-A615 WeakPolarHBondContact O-CB 3.41Å; D611-A615 PolarHBondContact O-N 3.13Å; L613-A615 VanDerWaalsContact C-N 3.32Å; L613-A615 PolarHBondContact O-N 3.21Å; A615-L617 VanDerWaalsContact C-N 3.35Å; A615-L617 PolarHBondContact O-N 3.11Å; A615-V618 PolarHBondContact O-N 3.15Å; A615-C619 PolarHBondContact O-N 3.03Å; A615-C619 PolarHBondContact O-SG 3.17Å
616R87.3Confident81.7Confident121 Ų12181.9 Ų81.946%0.45742%0.418SS..Hα-helixtrans-62.9-39.9175.2-71.3-175.9-177.8-159.71.6112.5L574 I575 R612 L613 A614 V618 C619 L620L574-R616 HydrophobicContact CD2-CB 4.27Å; L574-R616 PolarHBondContact O-NH1 2.98Å; I575-R616 VanDerWaalsContact CA-NH1 3.28Å; I575-R616 PolarHBondContact O-NH1 2.95Å; R612-R616 WeakPolarHBondContact O-CG 3.44Å; R612-R616 PolarHBondContact O-N 2.93Å; L613-R616 PolarHBondContact O-N 3.35Å; A614-R616 VanDerWaalsContact C-N 3.35Å; A614-R616 PolarHBondContact O-N 3.12Å; R616-V618 VanDerWaalsContact C-N 3.35Å; R616-C619 PolarHBondContact O-N 3Å; R616-L620 PolarHBondContact O-N 2.94Å
617L87.7Confident83Confident11 Ų1177.3 Ų77.36%0.05840%0.401CS..Hα-helixtrans-63-42.3175.5-167.578.3000111.2L574 I597 L613 A614 A615 L620 T621 L629 W631L574-L617 HydrophobicContact CD1-CD1 4.49Å; L574-L617 HydrophobicContact CD2-CD1 4.48Å; I597-L617 HydrophobicContact CD1-CD1 4.26Å; I597-L617 HydrophobicContact CD1-CD2 4.44Å; L613-L617 PolarHBondContact O-N 3.29Å; A614-L617 WeakPolarHBondContact O-CB 3.29Å; A614-L617 PolarHBondContact O-N 3.42Å; A615-L617 VanDerWaalsContact C-N 3.35Å; A615-L617 PolarHBondContact O-N 3.11Å; L617-L620 WeakPolarHBondContact O-CB 3.42Å; L617-L620 PolarHBondContact O-N 3.17Å; L617-T621 PolarHBondContact O-N 2.8Å; L617-T621 VanDerWaalsContact O-N 3.07Å; L617-L629 HydrophobicContact CD1-CD2 4.47Å; L617-L629 HydrophobicContact CD2-CD1 4.45Å; L617-W631 HydrophobicContact CD2-CH2 3.65Å; L617-W631 HydrophobicContact CD2-CZ2 3.73Å
618V88.7Confident84.3Confident81 Ų8172.7 Ų72.749%0.49139%0.387SS..Hα-helixtrans-63.9-42.3175.4173.70000111.5A614 A615 R616 L620 T621 L622A614-V618 WeakPolarHBondContact O-CG2 3.19Å; A614-V618 PolarHBondContact O-N 3.22Å; A615-V618 PolarHBondContact O-N 3.15Å; R616-V618 VanDerWaalsContact C-N 3.35Å; V618-L620 PolarHBondContact O-N 3.21Å; V618-T621 PolarHBondContact O-N 3.14Å; V618-T621 PolarHBondContact O-OG1 2.98Å; V618-L622 HydrophobicContact CG1-CD1 4.06Å; V618-L622 HydrophobicContact CG1-CG 4.41Å; V618-L622 VanDerWaalsContact O-CG 3.32Å; V618-L622 WeakPolarHBondContact O-CG 3.43Å; V618-L622 PolarHBondContact O-N 3.35Å
619C89.7Confident85.6Confident84 Ų8471.5 Ų71.557%0.56838%0.384SS*.Hα-helixtrans-59.4-35.9174.3-68.60000112A615 R616 K623A615-C619 PolarHBondContact O-N 3.03Å; A615-C619 PolarHBondContact O-SG 3.17Å; R616-C619 PolarHBondContact O-N 3Å; C619-K623 PolarHBondContact O-N 2.92Å; C619-K623 VanDerWaalsContact O-N 3.16Å
620L89.9Confident86.9Confident11 Ų1172.3 Ų72.36%0.05839%0.389CS..Hα-helixtrans-68.5-43.4178.8-163.4151.9000111.5L579 C583 R616 L617 V618 L622 K623 F624 L627L579-L620 HydrophobicContact CB-CD1 4.37Å; L579-L620 HydrophobicContact CD2-CD1 3.89Å; L579-L620 HydrophobicContact CG-CD1 3.89Å; C583-L620 HydrophobicContact CB-CD2 4.18Å; R616-L620 PolarHBondContact O-N 2.94Å; L617-L620 WeakPolarHBondContact O-CB 3.42Å; L617-L620 PolarHBondContact O-N 3.17Å; V618-L620 PolarHBondContact O-N 3.21Å; L620-L622 VanDerWaalsContact C-N 3.35Å; L620-L622 PolarHBondContact O-N 3.01Å; L620-K623 PolarHBondContact O-N 2.77Å; L620-F624 HydrophobicContact CD2-CD2 4.12Å; L620-F624 HydrophobicContact CG-CD2 4.24Å; L620-F624 WeakPolarHBondContact O-CD2 3.16Å; L620-F624 PolarHBondContact O-N 2.96Å; L620-F624 VanDerWaalsContact O-N 3.12Å; L620-L627 HydrophobicContact CD2-CD2 3.23Å
621T89Confident87.8Confident46 Ų4675 Ų7528%0.28239%0.39SS..Hα-helixtrans-67.6-34176.857.60000112.9L617 V618 K623 F624 L629L617-T621 PolarHBondContact O-N 2.8Å; L617-T621 VanDerWaalsContact O-N 3.07Å; V618-T621 PolarHBondContact O-N 3.14Å; V618-T621 PolarHBondContact O-OG1 2.98Å; T621-K623 VanDerWaalsContact C-N 3.34Å; T621-F624 CarbonylContact O-C 3.54Å; T621-L629 HydrophobicContact CG2-CD1 3.34Å; T621-L629 HydrophobicContact CG2-CG 4.1Å
622L92Very high88.5Confident137 Ų13768.5 Ų68.572%0.71736%0.356SS*.Hα-helixtrans-66-36.7174.9-72.1172000112.4V618 L620V618-L622 HydrophobicContact CG1-CD1 4.06Å; V618-L622 HydrophobicContact CG1-CG 4.41Å; V618-L622 VanDerWaalsContact O-CG 3.32Å; V618-L622 WeakPolarHBondContact O-CG 3.43Å; V618-L622 PolarHBondContact O-N 3.35Å; L620-L622 VanDerWaalsContact C-N 3.35Å; L620-L622 PolarHBondContact O-N 3.01Å
623K92Very high88.9Confident129 Ų12962.2 Ų62.256%0.56134%0.341SS*.Hα-helixtrans-73.9-37.3179.4-177.361.7178.5-178.80112.4Y580 C619 L620 T621 P625Y580-K623 HydrophobicContact CE2-CG 4.13Å; C619-K623 PolarHBondContact O-N 2.92Å; C619-K623 VanDerWaalsContact O-N 3.16Å; L620-K623 PolarHBondContact O-N 2.77Å; T621-K623 VanDerWaalsContact C-N 3.34Å; K623-P625 VanDerWaalsContact O-CD 3.31Å; K623-P625 WeakPolarHBondContact O-CD 3.5Å
624F92.1Very high89.2Confident22 Ų2263.3 Ų63.310%0.09635%0.351CS..  trans-116.881.8-175.6-58.2-69.1000110.9Y580 C583 E584 C587 L620 T621 Q626 L627Y580-F624 AromaticContact CD2-CE2 3.87Å; Y580-F624 HydrophobicContact CD2-CE2 3.87Å; Y580-F624 HydrophobicContact CD2-CZ 4.36Å; Y580-F624 HydrophobicContact CE1-CZ 4.44Å; Y580-F624 AromaticContact CE2-CE2 3.66Å; Y580-F624 HydrophobicContact CE2-CE2 3.66Å; Y580-F624 AromaticContact CE2-CZ 3.88Å; Y580-F624 HydrophobicContact CE2-CZ 3.88Å; Y580-F624 AromaticContact CZ-CZ 3.93Å; C583-F624 HydrophobicContact CB-CD2 4.12Å; C583-F624 HydrophobicContact CB-CE2 4.11Å; E584-F624 HydrophobicContact CB-CE1 4.24Å; E584-F624 HydrophobicContact CB-CZ 3.94Å; C587-F624 HydrophobicContact CB-CD1 4.22Å; L620-F624 HydrophobicContact CD2-CD2 4.12Å; L620-F624 HydrophobicContact CG-CD2 4.24Å; L620-F624 WeakPolarHBondContact O-CD2 3.16Å; L620-F624 PolarHBondContact O-N 2.96Å; L620-F624 VanDerWaalsContact O-N 3.12Å; T621-F624 CarbonylContact O-C 3.54Å; F624-Q626 PolarHBondContact O-N 3.31Å; F624-Q626 VanDerWaalsContact O-N 3.12Å; F624-L627 HydrophobicContact CB-CB 4.02Å; F624-L627 VanDerWaalsContact O-CB 3.29Å; F624-L627 WeakPolarHBondContact O-CB 3.4Å; F624-L627 PolarHBondContact O-N 3.13Å
625P90.1Very high89.2Confident114 Ų11462.8 Ų62.874%0.7435%0.345SS*.THydrogen-bonded Turntrans-66.6-17.3-175.226.9-35.7000113.8K623 L627K623-P625 VanDerWaalsContact O-CD 3.31Å; K623-P625 WeakPolarHBondContact O-CD 3.5Å; P625-L627 VanDerWaalsContact C-N 3.33Å
626Q90.1Very high89.1Confident110 Ų11063.6 Ų63.651%0.51434%0.342SS..THydrogen-bonded Turntrans-80.4-14.9175.4-63.4-179-3.800113P593 F624 S628P593-Q626 HydrophobicContact CG-CB 4.48Å; F624-Q626 PolarHBondContact O-N 3.31Å; F624-Q626 VanDerWaalsContact O-N 3.12Å; Q626-S628 PolarHBondContact O-N 2.76Å
627L93Very high89.1Confident15 Ų1560.8 Ų60.88%0.07934%0.341CS..PPolyproline II helixtrans-74.2120.2-177.4-173.471.5000110.8C583 M586 P593 L595 L620 F624 P625C583-L627 HydrophobicContact CB-CD2 4.49Å; M586-L627 HydrophobicContact CE-CD1 4.26Å; P593-L627 HydrophobicContact CB-CD1 3.99Å; P593-L627 HydrophobicContact CG-CD1 4.25Å; L595-L627 HydrophobicContact CB-CD1 4.19Å; L595-L627 HydrophobicContact CB-CD2 4.46Å; L595-L627 HydrophobicContact CB-CG 4.48Å; L620-L627 HydrophobicContact CD2-CD2 3.23Å; F624-L627 HydrophobicContact CB-CB 4.02Å; F624-L627 VanDerWaalsContact O-CB 3.29Å; F624-L627 WeakPolarHBondContact O-CB 3.4Å; F624-L627 PolarHBondContact O-N 3.13Å; P625-L627 VanDerWaalsContact C-N 3.33Å
628S92.9Very high89.3Confident61 Ų6160.3 Ų60.343%0.42734%0.339SS..EExtended strand (participates in β ladder)trans-94.7126.9175-600000110.5P593 V594 L595 Q626P593-S628 PolarHBondContact O-N 3.43Å; V594-S628 CarbonylContact C-O 3.5Å; V594-S628 WeakPolarHBondContact CA-O 3.41Å; L595-S628 PolarHBondContact N-O 2.91Å; Q626-S628 PolarHBondContact O-N 2.76Å
629L92.2Very high89.2Confident55 Ų5556.4 Ų56.429%0.28832%0.315SS..EExtended strand (participates in β ladder)trans-92.7127.9174.1-75.6169000110.4L595 I597 L617 T621L595-L629 HydrophobicContact CB-CD2 4.07Å; L595-L629 HydrophobicContact CD2-CD2 3.74Å; L595-L629 HydrophobicContact CG-CD2 4.11Å; I597-L629 HydrophobicContact CD1-CD2 3.82Å; L617-L629 HydrophobicContact CD1-CD2 4.47Å; L617-L629 HydrophobicContact CD2-CD1 4.45Å; T621-L629 HydrophobicContact CG2-CD1 3.34Å; T621-L629 HydrophobicContact CG2-CG 4.1Å
630V92.6Very high89.2Confident25 Ų2555 Ų5515%0.15230%0.302CS..EExtended strand (participates in β ladder)trans-122.2128.7174.9175.20000108.8V594 L595 L596 I597 T632 L641 F645V594-V630 HydrophobicContact CG1-CB 4.19Å; V594-V630 HydrophobicContact CG1-CG2 3.6Å; L595-V630 PolarHBondContact O-N 3.08Å; L596-V630 HydrophobicContact CD1-CB 4.05Å; L596-V630 HydrophobicContact CD1-CG1 3.61Å; I597-V630 PolarHBondContact N-O 2.91Å; V630-T632 HydrophobicContact CG1-CG2 4.09Å; V630-L641 HydrophobicContact CG1-CD2 3.33Å; V630-F645 HydrophobicContact CG2-CE2 4.26Å; V630-F645 HydrophobicContact CG2-CZ 3.98Å
631W89.2Confident89.3Confident86 Ų8656.2 Ų56.233%0.32631%0.308SS..EExtended strand (participates in β ladder)trans-110.7130.6180-56.586.6000109.8I597 L599 W606 L617I597-W631 HydrophobicContact CB-CD2 4.3Å; I597-W631 HydrophobicContact CB-CE3 3.7Å; I597-W631 HydrophobicContact CB-CZ3 3.88Å; I597-W631 HydrophobicContact CD1-CD2 4.43Å; I597-W631 HydrophobicContact CD1-CE3 4.1Å; I597-W631 HydrophobicContact CD1-CH2 3.48Å; I597-W631 VanDerWaalsContact CD1-CH2 3.48Å; I597-W631 HydrophobicContact CD1-CZ2 3.83Å; I597-W631 HydrophobicContact CD1-CZ3 3.64Å; I597-W631 HydrophobicContact CG1-CE3 4.49Å; I597-W631 HydrophobicContact CG1-CZ3 4.36Å; I597-W631 HydrophobicContact CG2-CE3 3.63Å; I597-W631 HydrophobicContact CG2-CH2 4.41Å; I597-W631 HydrophobicContact CG2-CZ3 3.48Å; I597-W631 VanDerWaalsContact CG2-CZ3 3.48Å; I597-W631 WeakPolarHBondContact O-CA 3.04Å; L599-W631 HydrophobicContact CD1-CE3 3.53Å; L599-W631 HydrophobicContact CD1-CZ3 3.84Å; L599-W631 HydrophobicContact CD2-CZ3 4.38Å; L599-W631 HydrophobicContact CG-CE3 4.1Å; L599-W631 HydrophobicContact CG-CZ3 4.36Å; W606-W631 HydrophobicContact CE3-CZ3 4.48Å; W606-W631 HydrophobicContact CH2-CH2 4.16Å; W606-W631 HydrophobicContact CH2-CZ2 4.41Å; W606-W631 AromaticContact CZ3-CH2 3.54Å; W606-W631 HydrophobicContact CZ3-CH2 3.54Å; W606-W631 HydrophobicContact CZ3-CZ2 4.09Å; W606-W631 AromaticContact CZ3-CZ3 3.8Å; W606-W631 HydrophobicContact CZ3-CZ3 3.8Å; L617-W631 HydrophobicContact CD2-CH2 3.65Å; L617-W631 HydrophobicContact CD2-CZ2 3.73Å
632T88.8Confident89.4Confident14 Ų1454 Ų549%0.08630%0.295CS..EExtended strand (participates in β ladder)trans-137.1155.6177.465.20000111.1L596 I597 Q598 L599 V630 V638 L641L596-T632 HydrophobicContact CD1-CG2 3.71Å; I597-T632 PolarHBondContact O-N 2.85Å; Q598-T632 CarbonylContact C-O 3.52Å; Q598-T632 WeakPolarHBondContact CA-O 3.46Å; L599-T632 PolarHBondContact N-O 3.36Å; V630-T632 HydrophobicContact CG1-CG2 4.09Å; T632-V638 HydrophobicContact CG2-CG2 3.74Å; T632-V638 WeakPolarHBondContact OG1-CG2 3.48Å; T632-L641 HydrophobicContact CG2-CD2 4.5Å
633V83.4Confident89.3Confident86 Ų8650.5 Ų50.552%0.52128%0.276SS..SBendtrans-102.3-38.2178.4-176.20000111.1L599L599-V633 WeakPolarHBondContact O-CA 3.03Å
634S83.8Confident89.2Confident43 Ų4350.8 Ų50.830%0.30128%0.279SS..  trans-121.3143.7-176.2-1800000111.7L636 S637 V638S634-L636 PolarHBondContact O-N 3.47Å; S634-L636 PolarHBondContact OG-N 3.15Å; S634-S637 PolarHBondContact O-N 3.02Å; S634-V638 WeakPolarHBondContact O-CG2 3.34Å; S634-V638 PolarHBondContact O-N 3.09Å
635S83.7Confident89Confident15 Ų1551.9 Ų51.911%0.10528%0.284CS..Hα-helixtrans-66.4-25.417446.80000112.3L533 N536 Q598 V638 A639L533-S635 WeakPolarHBondContact CD1-O 3.23Å; N536-S635 PolarHBondContact ND2-OG 3.35Å; Q598-S635 VanDerWaalsContact NE2-N 3.19Å; S635-V638 PolarHBondContact O-N 3.47Å; S635-A639 PolarHBondContact O-N 3.19Å
636L83.9Confident88.9Confident70 Ų7047 Ų4737%0.36625%0.252SS..Hα-helixtrans-65.6-42.2171.7-80.6150.4000111.6S634 V638 A639 D640S634-L636 PolarHBondContact O-N 3.47Å; S634-L636 PolarHBondContact OG-N 3.15Å; L636-V638 VanDerWaalsContact C-N 3.3Å; L636-V638 PolarHBondContact O-N 2.86Å; L636-A639 WeakPolarHBondContact O-CB 3.5Å; L636-A639 PolarHBondContact O-N 3.39Å; L636-A639 VanDerWaalsContact O-N 3.17Å; L636-D640 PolarHBondContact O-N 2.89Å
637S87.2Confident88.8Confident62 Ų6250.8 Ų50.843%0.43426%0.261SS..Hα-helixtrans-67.9-31.8177-51.20000112S634 A639 D640 L641S634-S637 PolarHBondContact O-N 3.02Å; S637-A639 VanDerWaalsContact C-N 3.3Å; S637-D640 PolarHBondContact O-N 3.39Å; S637-L641 WeakPolarHBondContact O-CB 3.43Å; S637-L641 PolarHBondContact O-N 2.99Å
638V90.8Very high88.4Confident0 Ų057.2 Ų57.20%030%0.295CS..Hα-helixtrans-62.5-41171.8178.30000110.7L533 L596 T632 S634 S635 L636 D640 L641 F642L533-V638 HydrophobicContact CD1-CB 3.71Å; L533-V638 HydrophobicContact CD1-CG1 3.62Å; L533-V638 HydrophobicContact CD2-CB 4.48Å; L533-V638 HydrophobicContact CD2-CG1 3.73Å; L533-V638 HydrophobicContact CG-CG1 4.36Å; L596-V638 HydrophobicContact CD1-CG1 4.48Å; L596-V638 HydrophobicContact CD1-CG2 4.21Å; L596-V638 HydrophobicContact CD2-CB 4.39Å; L596-V638 HydrophobicContact CD2-CG1 3.46Å; L596-V638 VanDerWaalsContact CD2-CG1 3.46Å; L596-V638 HydrophobicContact CD2-CG2 3.94Å; T632-V638 HydrophobicContact CG2-CG2 3.74Å; T632-V638 WeakPolarHBondContact OG1-CG2 3.48Å; S634-V638 WeakPolarHBondContact O-CG2 3.34Å; S634-V638 PolarHBondContact O-N 3.09Å; S635-V638 PolarHBondContact O-N 3.47Å; L636-V638 VanDerWaalsContact C-N 3.3Å; L636-V638 PolarHBondContact O-N 2.86Å; V638-D640 VanDerWaalsContact C-N 3.34Å; V638-D640 PolarHBondContact O-N 2.96Å; V638-L641 PolarHBondContact O-N 2.97Å; V638-F642 HydrophobicContact CG1-CD1 3.92Å; V638-F642 HydrophobicContact CG1-CE1 3.59Å; V638-F642 HydrophobicContact CG1-CE2 4.32Å; V638-F642 HydrophobicContact CG1-CG 4.43Å; V638-F642 HydrophobicContact CG1-CZ 3.81Å; V638-F642 WeakPolarHBondContact O-CD1 3.4Å; V638-F642 PolarHBondContact O-N 3.09Å
639A87.9Confident88.1Confident0 Ų058.4 Ų58.40%029%0.291CS..Hα-helixtrans-62.9-41.8178.600000112L537 R540 S635 L636 S637 F642 I643L537-A639 HydrophobicContact CD2-CB 3.79Å; L537-A639 HydrophobicContact CG-CB 4.42Å; R540-A639 HydrophobicContact CB-CB 4.22Å; R540-A639 HydrophobicContact CG-CB 3.83Å; S635-A639 PolarHBondContact O-N 3.19Å; L636-A639 WeakPolarHBondContact O-CB 3.5Å; L636-A639 PolarHBondContact O-N 3.39Å; L636-A639 VanDerWaalsContact O-N 3.17Å; S637-A639 VanDerWaalsContact C-N 3.3Å; A639-F642 PolarHBondContact O-N 2.94Å; A639-I643 WeakPolarHBondContact O-CG1 3.36Å; A639-I643 PolarHBondContact O-N 3.48Å
640D88.9Confident88Confident54 Ų5459.7 Ų59.729%0.28930%0.302SS..Hα-helixtrans-60.9-45.6173.2-67.5-34.4000111.7R540 L636 S637 V638 F642 I643 E644R540-D640 IonicContact CZ-OD1 3.49Å; R540-D640 IonicContact CZ-OD2 3.84Å; R540-D640 VanDerWaalsContact CZ-OD2 3.32Å; R540-D640 IonicContact NE-OD1 2.63Å; R540-D640 VanDerWaalsContact NH1-CG 3.3Å; R540-D640 IonicContact NH1-OD1 3.43Å; R540-D640 PolarHBondContact NH1-OD1 2.8Å; R540-D640 IonicContact NH1-OD2 3.8Å; R540-D640 PolarHBondContact NH1-OD2 3.15Å; R540-D640 IonicContact NH2-OD1 2.82Å; R540-D640 PolarHBondContact NH2-OD1 2.91Å; R540-D640 IonicContact NH2-OD2 3.15Å; R540-D640 PolarHBondContact NH2-OD2 3.2Å; L636-D640 PolarHBondContact O-N 2.89Å; S637-D640 PolarHBondContact O-N 3.39Å; V638-D640 VanDerWaalsContact C-N 3.34Å; V638-D640 PolarHBondContact O-N 2.96Å; D640-F642 VanDerWaalsContact C-N 3.28Å; D640-F642 PolarHBondContact O-N 2.91Å; D640-I643 WeakPolarHBondContact O-CB 3.5Å; D640-I643 PolarHBondContact O-N 2.88Å; D640-I643 VanDerWaalsContact O-N 3.15Å; D640-E644 PolarHBondContact O-N 3.36Å; D640-E644 VanDerWaalsContact O-N 3.1Å
641L91.5Very high87.8Confident36 Ų3661.9 Ų61.919%0.18831%0.311CS..Hα-helixtrans-62.3-36177.6-171.572.6000112.5V630 T632 S637 V638 I643 E644 F645V630-L641 HydrophobicContact CG1-CD2 3.33Å; T632-L641 HydrophobicContact CG2-CD2 4.5Å; S637-L641 WeakPolarHBondContact O-CB 3.43Å; S637-L641 PolarHBondContact O-N 2.99Å; V638-L641 PolarHBondContact O-N 2.97Å; L641-I643 VanDerWaalsContact C-N 3.33Å; L641-E644 PolarHBondContact O-N 3.25Å; L641-F645 HydrophobicContact CD1-CD1 4.25Å; L641-F645 HydrophobicContact CD1-CE1 3.69Å; L641-F645 HydrophobicContact CD1-CZ 3.89Å; L641-F645 HydrophobicContact CD2-CE1 4.32Å; L641-F645 HydrophobicContact CD2-CE2 3.81Å; L641-F645 HydrophobicContact CD2-CZ 3.67Å; L641-F645 HydrophobicContact CG-CD1 4.24Å; L641-F645 HydrophobicContact CG-CD2 4.29Å; L641-F645 HydrophobicContact CG-CE1 3.87Å; L641-F645 HydrophobicContact CG-CE2 3.91Å; L641-F645 HydrophobicContact CG-CG 4.46Å; L641-F645 HydrophobicContact CG-CZ 3.7Å; L641-F645 WeakPolarHBondContact O-CB 3.18Å; L641-F645 WeakPolarHBondContact O-CG 3.49Å; L641-F645 PolarHBondContact O-N 2.78Å
642F92.3Very high87.8Confident1 Ų158 Ų580%0.00430%0.297CS..Hα-helixtrans-66.7-36.9177.4-80.817.1000111.3L537 L542 Y554 L556 V562 L596 V638 A639 D640 F645 K646L537-F642 HydrophobicContact CD1-CD2 4Å; L537-F642 HydrophobicContact CD1-CE2 4.1Å; L537-F642 HydrophobicContact CD2-CB 3.98Å; L537-F642 HydrophobicContact CD2-CD2 3.41Å; L537-F642 VanDerWaalsContact CD2-CD2 3.41Å; L537-F642 HydrophobicContact CD2-CE2 4.21Å; L537-F642 HydrophobicContact CD2-CG 4Å; L537-F642 HydrophobicContact CG-CD2 4.36Å; L542-F642 HydrophobicContact CD1-CB 4.19Å; Y554-F642 AromaticContact CD1-CE2 3.86Å; Y554-F642 HydrophobicContact CD1-CE2 3.86Å; Y554-F642 HydrophobicContact CD2-CE2 4.32Å; Y554-F642 HydrophobicContact CD2-CZ 4.35Å; Y554-F642 HydrophobicContact CE1-CE2 4.37Å; Y554-F642 AromaticContact CG-CE2 3.85Å; Y554-F642 HydrophobicContact CG-CE2 3.85Å; Y554-F642 HydrophobicContact CG-CZ 4.24Å; L556-F642 HydrophobicContact CD1-CD1 3.93Å; L556-F642 HydrophobicContact CD1-CD2 4.46Å; L556-F642 HydrophobicContact CD1-CE1 4.19Å; L556-F642 HydrophobicContact CD1-CG 4.08Å; L556-F642 HydrophobicContact CD2-CB 4.27Å; L556-F642 HydrophobicContact CD2-CD1 4.41Å; L556-F642 HydrophobicContact CD2-CD2 3.47Å; L556-F642 VanDerWaalsContact CD2-CD2 3.47Å; L556-F642 HydrophobicContact CD2-CE2 3.82Å; L556-F642 HydrophobicContact CD2-CG 3.81Å; L556-F642 HydrophobicContact CD2-CZ 4.4Å; V562-F642 HydrophobicContact CB-CZ 4.4Å; V562-F642 HydrophobicContact CG1-CE1 4.37Å; V562-F642 HydrophobicContact CG1-CZ 4.12Å; V562-F642 HydrophobicContact CG2-CE1 4.35Å; V562-F642 HydrophobicContact CG2-CZ 4.26Å; L596-F642 HydrophobicContact CD2-CE1 4.32Å; L596-F642 HydrophobicContact CD2-CZ 4.26Å; V638-F642 HydrophobicContact CG1-CD1 3.92Å; V638-F642 HydrophobicContact CG1-CE1 3.59Å; V638-F642 HydrophobicContact CG1-CE2 4.32Å; V638-F642 HydrophobicContact CG1-CG 4.43Å; V638-F642 HydrophobicContact CG1-CZ 3.81Å; V638-F642 WeakPolarHBondContact O-CD1 3.4Å; V638-F642 PolarHBondContact O-N 3.09Å; A639-F642 PolarHBondContact O-N 2.94Å; D640-F642 VanDerWaalsContact C-N 3.28Å; D640-F642 PolarHBondContact O-N 2.91Å; F642-F645 PolarHBondContact O-N 3.45Å; F642-K646 WeakPolarHBondContact O-CG 3.48Å; F642-K646 PolarHBondContact O-N 2.96Å; F642-K646 VanDerWaalsContact O-N 3.09Å
643I88.8Confident87.6Confident63 Ų6361.1 Ų61.132%0.32331%0.313SS..Hα-helixtrans-61.1-47.5172.9-64.2166.7000109.8R540 L542 A639 D640 L641 F645 K646 W647R540-I643 HydrophobicContact CB-CD1 4.14Å; L542-I643 HydrophobicContact CD1-CG1 3.94Å; L542-I643 HydrophobicContact CD2-CG1 3.97Å; L542-I643 HydrophobicContact CG-CG1 3.97Å; A639-I643 WeakPolarHBondContact O-CG1 3.36Å; A639-I643 PolarHBondContact O-N 3.48Å; D640-I643 WeakPolarHBondContact O-CB 3.5Å; D640-I643 PolarHBondContact O-N 2.88Å; D640-I643 VanDerWaalsContact O-N 3.15Å; L641-I643 VanDerWaalsContact C-N 3.33Å; I643-F645 PolarHBondContact O-N 3.5Å; I643-K646 PolarHBondContact O-N 3.31Å; I643-W647 PolarHBondContact O-N 3.17Å
644E89.3Confident87.4Confident134 Ų13458.4 Ų58.463%0.62630%0.3SS*.Hα-helixtrans-62.3-40.7177.2-67.9-179.2179.300112.5D640 L641 K646 W647D640-E644 PolarHBondContact O-N 3.36Å; D640-E644 VanDerWaalsContact O-N 3.1Å; L641-E644 PolarHBondContact O-N 3.25Å; E644-K646 PolarHBondContact O-N 3.09Å; E644-W647 VanDerWaalsContact O-CB 3.25Å; E644-W647 WeakPolarHBondContact O-CB 3.46Å; E644-W647 PolarHBondContact O-N 3.36Å; E644-W647 VanDerWaalsContact O-N 3.16Å
645F89.2Confident87.4Confident46 Ų4664 Ų6420%0.20232%0.321CS..Hα-helixtrans-65.6-27.6178.2-78-1.6000113.3L556 V630 L641 F642 I643 R649L556-F645 HydrophobicContact CD1-CB 3.9Å; L556-F645 HydrophobicContact CD1-CD2 3.85Å; L556-F645 HydrophobicContact CD1-CG 4.41Å; V630-F645 HydrophobicContact CG2-CE2 4.26Å; V630-F645 HydrophobicContact CG2-CZ 3.98Å; L641-F645 HydrophobicContact CD1-CD1 4.25Å; L641-F645 HydrophobicContact CD1-CE1 3.69Å; L641-F645 HydrophobicContact CD1-CZ 3.89Å; L641-F645 HydrophobicContact CD2-CE1 4.32Å; L641-F645 HydrophobicContact CD2-CE2 3.81Å; L641-F645 HydrophobicContact CD2-CZ 3.67Å; L641-F645 HydrophobicContact CG-CD1 4.24Å; L641-F645 HydrophobicContact CG-CD2 4.29Å; L641-F645 HydrophobicContact CG-CE1 3.87Å; L641-F645 HydrophobicContact CG-CE2 3.91Å; L641-F645 HydrophobicContact CG-CG 4.46Å; L641-F645 HydrophobicContact CG-CZ 3.7Å; L641-F645 WeakPolarHBondContact O-CB 3.18Å; L641-F645 WeakPolarHBondContact O-CG 3.49Å; L641-F645 PolarHBondContact O-N 2.78Å; F642-F645 PolarHBondContact O-N 3.45Å; I643-F645 PolarHBondContact O-N 3.5Å; F645-R649 WeakPolarHBondContact O-CD 3.33Å; F645-R649 PolarHBondContact O-NE 3Å; F645-R649 VanDerWaalsContact O-NE 3.11Å; F645-R649 PolarHBondContact O-NH1 3.41Å
646K88.3Confident87.4Confident12 Ų1269.6 Ų69.65%0.05234%0.343CS..Hα-helixtrans-86-10.1176.1-67.5-167.595.2-138.50113.6L521 V522 L556 F642 I643 E644 N648 R649 E651L521-K646 WeakPolarHBondContact O-CE 3.49Å; L521-K646 PolarHBondContact O-NZ 2.9Å; V522-K646 HydrophobicContact CG2-CD 3.9Å; L556-K646 HydrophobicContact CB-CG 4.1Å; L556-K646 WeakPolarHBondContact O-CE 3.3Å; F642-K646 WeakPolarHBondContact O-CG 3.48Å; F642-K646 PolarHBondContact O-N 2.96Å; F642-K646 VanDerWaalsContact O-N 3.09Å; I643-K646 PolarHBondContact O-N 3.31Å; E644-K646 PolarHBondContact O-N 3.09Å; K646-N648 PolarHBondContact O-N 3.48Å; K646-R649 PolarHBondContact O-N 3.29Å; K646-E651 VanDerWaalsContact NZ-CD 3.29Å; K646-E651 IonicContact NZ-OE1 3.77Å; K646-E651 PolarHBondContact NZ-OE1 2.84Å; K646-E651 VanDerWaalsContact NZ-OE1 3.12Å; K646-E651 IonicContact NZ-OE2 3.72Å; K646-E651 PolarHBondContact NZ-OE2 3.03Å
647W86.6Confident87.2Confident188 Ų18866.5 Ų66.571%0.71233%0.328SS*.THydrogen-bonded Turntrans-55123.3-178.4-168.4-92.6000112.1I643 E644 R649I643-W647 PolarHBondContact O-N 3.17Å; E644-W647 VanDerWaalsContact O-CB 3.25Å; E644-W647 WeakPolarHBondContact O-CB 3.46Å; E644-W647 PolarHBondContact O-N 3.36Å; E644-W647 VanDerWaalsContact O-N 3.16Å; W647-R649 VanDerWaalsContact C-N 3.3Å; W647-R649 PolarHBondContact O-N 3.35Å
648N85.2Confident86.9Confident150 Ų15065.7 Ų65.780%0.80232%0.318SS*.THydrogen-bonded Turntrans55.134.3-176.5-70.2-16.8000115.2K646K646-N648 PolarHBondContact O-N 3.48Å
649R87.5Confident86.3Confident86 Ų8670.5 Ų70.533%0.32534%0.344SS..  trans-118.1151.2176.5-59.1-165.9-170168.37.4111.9A557 F645 K646 W647A557-R649 HydrophobicContact CB-CB 4.33Å; F645-R649 WeakPolarHBondContact O-CD 3.33Å; F645-R649 PolarHBondContact O-NE 3Å; F645-R649 VanDerWaalsContact O-NE 3.11Å; F645-R649 PolarHBondContact O-NH1 3.41Å; K646-R649 PolarHBondContact O-N 3.29Å; W647-R649 VanDerWaalsContact C-N 3.3Å; W647-R649 PolarHBondContact O-N 3.35Å
650P89.4Confident85.6Confident82 Ų8273.3 Ų73.353%0.53236%0.359SS..PPolyproline II helixtrans-68.4151.7177.427.6-33.6000111.7P558P558-P650 WeakPolarHBondContact CD-O 3.18Å; P558-P650 HydrophobicContact CG-CG 4.32Å
651E87.7Confident84.3Confident71 Ų7172.4 Ų72.433%0.33236%0.362SS..PPolyproline II helixtrans-69.2147.4177.7-68.1-62.5154.600111.8S520 L521 P558 K646S520-E651 WeakPolarHBondContact CA-OE1 3.2Å; L521-E651 WeakPolarHBondContact CA-OE2 3.19Å; L521-E651 VanDerWaalsContact CB-OE2 3.24Å; L521-E651 WeakPolarHBondContact CB-OE2 3.42Å; L521-E651 PolarHBondContact N-OE2 3.11Å; P558-E651 WeakPolarHBondContact CD-O 3.14Å; P558-E651 WeakPolarHBondContact CG-O 3.37Å; K646-E651 VanDerWaalsContact NZ-CD 3.29Å; K646-E651 IonicContact NZ-OE1 3.77Å; K646-E651 PolarHBondContact NZ-OE1 2.84Å; K646-E651 VanDerWaalsContact NZ-OE1 3.12Å; K646-E651 IonicContact NZ-OE2 3.72Å; K646-E651 PolarHBondContact NZ-OE2 3.03Å
652P88.8Confident83Confident6 Ų676.8 Ų76.84%0.03938%0.38CS..PPolyproline II helixtrans-78.1142.1-179.232.2-34.1000112.5I523 I555I523-P652 HydrophobicContact CD1-CB 3.83Å; I523-P652 HydrophobicContact CD1-CG 4.12Å; I523-P652 HydrophobicContact CG1-CB 4.3Å; I523-P652 HydrophobicContact CG1-CG 4.05Å; I555-P652 HydrophobicContact CG2-CB 3.88Å
653D85.8Confident80.7Confident79 Ų7985 Ų8542%0.42242%0.418SS..PPolyproline II helixtrans-90.2120.5175.1-71.3-29.8000111.2K656 A657D653-K656 HydrophobicContact CB-CB 4.22Å; D653-K656 HydrophobicContact CB-CD 4.05Å; D653-K656 HydrophobicContact CB-CG 4.21Å; D653-K656 WeakPolarHBondContact OD2-CE 3.36Å; D653-K656 IonicContact OD2-NZ 2.75Å; D653-K656 PolarHBondContact OD2-NZ 3.02Å; D653-A657 WeakPolarHBondContact O-CB 3.4Å; D653-A657 PolarHBondContact O-N 3.24Å
654A80Confident78.5Confident29 Ų2989.9 Ų89.924%0.2444%0.443CS..Hα-helixtrans-65.9-41.8-176.900000114I523 L545 K656 A657 I658I523-A654 HydrophobicContact CD1-CB 4.31Å; L545-A654 HydrophobicContact CD2-CB 3.47Å; L545-A654 VanDerWaalsContact CD2-CB 3.47Å; A654-K656 PolarHBondContact O-N 2.88Å; A654-A657 WeakPolarHBondContact O-CB 3.35Å; A654-A657 PolarHBondContact O-N 3.08Å; A654-I658 WeakPolarHBondContact O-CD1 3.24Å; A654-I658 VanDerWaalsContact O-CG1 3.32Å; A654-I658 WeakPolarHBondContact O-CG1 3.17Å; A654-I658 PolarHBondContact O-N 3.34Å; A654-I658 VanDerWaalsContact O-N 3.14Å
655E82.8Confident75.9Confident160 Ų16086.5 Ų86.575%0.74844%0.444SS*.Hα-helixtrans-66.4-40.7-177.1-63.9-176.5170.200112I658 N659E655-I658 PolarHBondContact O-N 3.44Å; E655-N659 WeakPolarHBondContact O-CB 3.48Å; E655-N659 VanDerWaalsContact O-CG 3.29Å; E655-N659 PolarHBondContact O-N 3.03Å; E655-N659 VanDerWaalsContact O-N 3.14Å; E655-N659 PolarHBondContact O-ND2 3.29Å
656K83.2Confident73.4Confident132 Ų13290.9 Ų90.957%0.57447%0.47SS*.Hα-helixtrans-64.8-44.8176.4-68.2179-173.1152.50110.8D653 A654 I658 N659 L660D653-K656 HydrophobicContact CB-CB 4.22Å; D653-K656 HydrophobicContact CB-CD 4.05Å; D653-K656 HydrophobicContact CB-CG 4.21Å; D653-K656 WeakPolarHBondContact OD2-CE 3.36Å; D653-K656 IonicContact OD2-NZ 2.75Å; D653-K656 PolarHBondContact OD2-NZ 3.02Å; A654-K656 PolarHBondContact O-N 2.88Å; K656-I658 VanDerWaalsContact C-N 3.29Å; K656-I658 PolarHBondContact O-N 3.29Å; K656-N659 PolarHBondContact O-N 3.47Å; K656-L660 WeakPolarHBondContact O-CD1 3.48Å; K656-L660 WeakPolarHBondContact O-CG 3.39Å; K656-L660 PolarHBondContact O-N 2.7Å
657A79.8Confident70.7Confident6 Ų6100.4 Ų100.45%0.0551%0.514CS..Hα-helixtrans-56.5-40.1177.800000113.6I523 L549 I555 D653 A654I523-A657 HydrophobicContact CD1-CB 3.95Å; L549-A657 HydrophobicContact CD2-CB 3.97Å; I555-A657 HydrophobicContact CD1-CB 3.29Å; D653-A657 WeakPolarHBondContact O-CB 3.4Å; D653-A657 PolarHBondContact O-N 3.24Å; A654-A657 WeakPolarHBondContact O-CB 3.35Å; A654-A657 PolarHBondContact O-N 3.08Å
658I80.4Confident68.3Low44 Ų4495.5 Ų95.523%0.22651%0.509CS..Hα-helixtrans-74.6-35.2-179.8-66.4164.5000111.8A654 E655 K656A654-I658 WeakPolarHBondContact O-CD1 3.24Å; A654-I658 VanDerWaalsContact O-CG1 3.32Å; A654-I658 WeakPolarHBondContact O-CG1 3.17Å; A654-I658 PolarHBondContact O-N 3.34Å; A654-I658 VanDerWaalsContact O-N 3.14Å; E655-I658 PolarHBondContact O-N 3.44Å; K656-I658 VanDerWaalsContact C-N 3.29Å; K656-I658 PolarHBondContact O-N 3.29Å
659N79.4Confident65.9Low102 Ų10297 Ų9755%0.54551%0.511SS..Hα-helixtrans-80.9-27.2-177.2-69.9-20.5000112.7E655 K656 G661 K662E655-N659 WeakPolarHBondContact O-CB 3.48Å; E655-N659 VanDerWaalsContact O-CG 3.29Å; E655-N659 PolarHBondContact O-N 3.03Å; E655-N659 VanDerWaalsContact O-N 3.14Å; E655-N659 PolarHBondContact O-ND2 3.29Å; K656-N659 PolarHBondContact O-N 3.47Å; N659-G661 PolarHBondContact O-N 3.45Å; N659-K662 PolarHBondContact O-N 2.87Å; N659-K662 VanDerWaalsContact O-N 3.12Å
660L73.3Confident63.5Low58 Ų58100.8 Ų100.830%0.30454%0.538SS..THydrogen-bonded Turntrans-57.5127.8172.8-74.5161.1000109.6T550 Y590 K656T550-L660 PolarHBondContact OG1-O 3.14Å; Y590-L660 HydrophobicContact CE1-CD1 4.42Å; K656-L660 WeakPolarHBondContact O-CD1 3.48Å; K656-L660 WeakPolarHBondContact O-CG 3.39Å; K656-L660 PolarHBondContact O-N 2.7Å
661G60.8Low61Low35 Ų3599.1 Ų99.136%0.36153%0.531SS..THydrogen-bonded Turntrans81.81.8-178.200000116.4N659 E663N659-G661 PolarHBondContact O-N 3.45Å; G661-E663 VanDerWaalsContact C-N 3.33Å
662K65.1Low59.1Low128 Ų12899.1 Ų99.156%0.55754%0.539SS*.  trans-86.92.7169.1-75.4-171.9178.7-179.80114T550 N659T550-K662 HydrophobicContact CG2-CG 4.38Å; N659-K662 PolarHBondContact O-N 2.87Å; N659-K662 VanDerWaalsContact O-N 3.12Å
663E44.1Very low57.3Low174 Ų174103.5 Ų103.581%0.81357%0.569SS**SBendtrans-82.2123.5176.1-66.8-169167.600110G661G661-E663 VanDerWaalsContact C-N 3.33Å
664I41.7Very low55.8Low166 Ų166103.8 Ų103.885%0.85158%0.577SS**SBendtrans85.276.8-178-43.7163.1000113.5
665G35.7Very low54.6Low62 Ų62109.8 Ų109.864%0.63959%0.594SS**SBendtrans144.9108.816100000116.1
666D35.2Very low53.5Low138 Ų138106.2 Ų106.274%0.73858%0.583SS**  trans63.594.8160.8-74-6.2000121.4S668D666-S668 PolarHBondContact O-N 2.98Å
667Q32.2Very low52.6Low212 Ų212108.9 Ų108.999%0.99159%0.59SS**SBendtrans-84.540.5153.5-70.5-171.8-8.300112.7
668S35.8Very low51.9Low85 Ų85110.8 Ų110.859%0.59460%0.602SS**  trans-137.955.6175.563.30000112.8D666 D670D666-S668 PolarHBondContact O-N 2.98Å; S668-D670 PolarHBondContact O-N 3.27Å
669E36Very low51.3Low181 Ų181110.4 Ų110.485%0.84660%0.603SS**  trans-90.272.5165.8-72.7-154147.700110.6
670D36.1Very low50.9Low167 Ų167109.5 Ų109.589%0.89360%0.601SS**  trans-156.961.9162.6-94.5-29.4000110.6S668S668-D670 PolarHBondContact O-N 3.27Å
671A37.6Very low51Low47 Ų47111.5 Ų111.539%0.38861%0.612SS.*SBendtrans-158.585.616400000115
672S48Very low51.8Low71 Ų71110.5 Ų110.550%0.49760%0.598SS.*  trans62.4120.9156.474.80000117.3S674 R675S672-S674 PolarHBondContact O-N 2.94Å; S672-R675 PolarHBondContact O-N 3.14Å
673S51.1Low52.2Low97 Ų97108.8 Ų108.868%0.67859%0.592SS**Hα-helixtrans-53-11.5176.8-540000116.1
674S53.6Low53.8Low85 Ų85105.4 Ų105.459%0.59459%0.586SS**Hα-helixtrans-79.3-35.9175.2-160.90000112.5S672 R677 C678S672-S674 PolarHBondContact O-N 2.94Å; S674-R677 PolarHBondContact O-N 3.15Å; S674-C678 PolarHBondContact O-N 3.49Å; S674-C678 PolarHBondContact O-SG 2.63Å; S674-C678 VanDerWaalsContact O-SG 3.34Å
675R55.6Low55.7Low156 Ų15698.9 Ų98.959%0.58955%0.553SS**Hα-helixtrans-68.8-39.5177.1-73.2-175.9-162.6163.29.4111.9S672 R677 C678 S679S672-R675 PolarHBondContact O-N 3.14Å; R675-R677 VanDerWaalsContact C-N 3.26Å; R675-R677 PolarHBondContact O-N 3.05Å; R675-C678 PolarHBondContact O-N 3.32Å; R675-C678 VanDerWaalsContact O-N 3.13Å; R675-S679 PolarHBondContact O-N 3.26Å; R675-S679 PolarHBondContact O-OG 2.95Å
676T60Low57.6Low85 Ų8598.8 Ų98.852%0.52154%0.541SS..Hα-helixtrans-59.9-36.6177.5-39.60000112S679 T680T676-S679 WeakPolarHBondContact CA-OG 3.23Å; T676-S679 PolarHBondContact O-OG 2.97Å; T676-T680 WeakPolarHBondContact O-CB 3.45Å; T676-T680 PolarHBondContact O-N 3.43Å; T676-T680 PolarHBondContact O-OG1 3.48Å
677R62.5Low59.4Low188 Ų18894.3 Ų94.371%0.70953%0.527SS*.Hα-helixtrans-69.5-41.6176.2-69.8-178.8-178-178.80.7111.7S674 R675 T680 L681S674-R677 PolarHBondContact O-N 3.15Å; R675-R677 VanDerWaalsContact C-N 3.26Å; R675-R677 PolarHBondContact O-N 3.05Å; R677-T680 PolarHBondContact O-N 2.99Å; R677-L681 WeakPolarHBondContact O-CG 3.13Å; R677-L681 PolarHBondContact O-N 3.16Å
678C65.3Low61.4Low46 Ų4684.8 Ų84.831%0.31148%0.483SS..Hα-helixtrans-65.6-44177.1-62.80000111.4S674 R675 T680 L681 L682S674-C678 PolarHBondContact O-N 3.49Å; S674-C678 PolarHBondContact O-SG 2.63Å; S674-C678 VanDerWaalsContact O-SG 3.34Å; R675-C678 PolarHBondContact O-N 3.32Å; R675-C678 VanDerWaalsContact O-N 3.13Å; C678-T680 PolarHBondContact O-N 2.68Å; C678-L681 PolarHBondContact O-N 3.01Å; C678-L682 VanDerWaalsContact O-CG 3.32Å; C678-L682 WeakPolarHBondContact O-CG 3.49Å; C678-L682 PolarHBondContact O-N 3.05Å
679S67.9Low63.2Low36 Ų3682.6 Ų82.625%0.25247%0.474SS..Hα-helixtrans-63.9-41.2176.662.80000111.8R675 T676 L681 L682 H683R675-S679 PolarHBondContact O-N 3.26Å; R675-S679 PolarHBondContact O-OG 2.95Å; T676-S679 WeakPolarHBondContact CA-OG 3.23Å; T676-S679 PolarHBondContact O-OG 2.97Å; S679-L681 VanDerWaalsContact C-N 3.34Å; S679-L681 PolarHBondContact O-N 3.26Å; S679-L682 PolarHBondContact O-N 3.36Å; S679-H683 PolarHBondContact O-CD2 3.45Å; S679-H683 PolarHBondContact O-N 3.49Å
680T72Confident64.8Low82 Ų8281 Ų8150%0.50347%0.467SS..Hα-helixtrans-60.1-44.1175.3-54.10000111.4T676 R677 C678 L682 H683 C684T676-T680 WeakPolarHBondContact O-CB 3.45Å; T676-T680 PolarHBondContact O-N 3.43Å; T676-T680 PolarHBondContact O-OG1 3.48Å; R677-T680 PolarHBondContact O-N 2.99Å; C678-T680 PolarHBondContact O-N 2.68Å; T680-L682 PolarHBondContact O-N 3.04Å; T680-H683 PolarHBondContact O-N 3.1Å; T680-C684 PolarHBondContact O-N 3.32Å; T680-C684 PolarHBondContact O-SG 3.29Å; T680-C684 VanDerWaalsContact O-SG 3.34Å
681L75.5Confident66.5Low101 Ų10181.8 Ų81.853%0.52946%0.462SS..Hα-helixtrans-63.3-40.1175.9-76.6171.1000112.4R677 C678 S679 H683 C684 L703R677-L681 WeakPolarHBondContact O-CG 3.13Å; R677-L681 PolarHBondContact O-N 3.16Å; C678-L681 PolarHBondContact O-N 3.01Å; S679-L681 VanDerWaalsContact C-N 3.34Å; S679-L681 PolarHBondContact O-N 3.26Å; L681-H683 VanDerWaalsContact C-N 3.33Å; L681-H683 PolarHBondContact O-N 3.02Å; L681-C684 WeakPolarHBondContact O-CB 3.26Å; L681-C684 PolarHBondContact O-N 2.59Å; L681-L703 HydrophobicContact CD1-CD1 4.09Å
682L76.1Confident68.3Low13 Ų1381.3 Ų81.37%0.06845%0.453CS..Hα-helixtrans-62-41.7176.7-71.9171.6000111.2C678 S679 T680 C684 L685 M688 F696 L706C678-L682 VanDerWaalsContact O-CG 3.32Å; C678-L682 WeakPolarHBondContact O-CG 3.49Å; C678-L682 PolarHBondContact O-N 3.05Å; S679-L682 PolarHBondContact O-N 3.36Å; T680-L682 PolarHBondContact O-N 3.04Å; L682-C684 PolarHBondContact O-N 3.05Å; L682-L685 HydrophobicContact CD2-CD1 4.07Å; L682-L685 WeakPolarHBondContact O-CB 3.33Å; L682-L685 PolarHBondContact O-N 3.47Å; L682-M688 WeakPolarHBondContact O-CB 3.43Å; L682-M688 VanDerWaalsContact O-CG 3.26Å; L682-M688 WeakPolarHBondContact O-CG 3.32Å; L682-F696 HydrophobicContact CD1-CB 4.02Å; L682-F696 HydrophobicContact CD2-CB 4.35Å; L682-L706 HydrophobicContact CD2-CD2 3.84Å
683H73.5Confident69.6Low93 Ų9378.1 Ų78.143%0.43143%0.431SS..Hα-helixtrans-67.2-18.1177.4-73.5-60000114.4S679 T680 L681 L685 M688 A693S679-H683 PolarHBondContact O-CD2 3.45Å; S679-H683 PolarHBondContact O-N 3.49Å; T680-H683 PolarHBondContact O-N 3.1Å; L681-H683 VanDerWaalsContact C-N 3.33Å; L681-H683 PolarHBondContact O-N 3.02Å; H683-L685 VanDerWaalsContact C-N 3.28Å; H683-M688 PolarHBondContact ND1-O 3.45Å; H683-A693 VanDerWaalsContact CE1-CB 3.46Å; H683-A693 WeakPolarHBondContact CE1-CB 3.35Å
684C79.4Confident70.7Confident102 Ų10276.3 Ų76.369%0.68942%0.422SS*.THydrogen-bonded Turntrans-78.6-12.2172.7-63.30000113.3T680 L681 L682T680-C684 PolarHBondContact O-N 3.32Å; T680-C684 PolarHBondContact O-SG 3.29Å; T680-C684 VanDerWaalsContact O-SG 3.34Å; L681-C684 WeakPolarHBondContact O-CB 3.26Å; L681-C684 PolarHBondContact O-N 2.59Å; L682-C684 PolarHBondContact O-N 3.05Å
685L80.8Confident71.8Confident30 Ų3074.1 Ų74.116%0.15741%0.409CS..SBendtrans-81.1144.4-179.1-63.6172.6000111.4L682 H683 G687 M688 L727 L730 F731L682-L685 HydrophobicContact CD2-CD1 4.07Å; L682-L685 WeakPolarHBondContact O-CB 3.33Å; L682-L685 PolarHBondContact O-N 3.47Å; H683-L685 VanDerWaalsContact C-N 3.28Å; L685-G687 PolarHBondContact O-N 3.47Å; L685-M688 HydrophobicContact CB-CB 4.32Å; L685-M688 HydrophobicContact CB-CG 3.64Å; L685-M688 HydrophobicContact CD1-CG 4.41Å; L685-M688 WeakPolarHBondContact O-CB 3.34Å; L685-M688 PolarHBondContact O-N 3.37Å; L685-L727 HydrophobicContact CB-CD2 3.8Å; L685-L727 HydrophobicContact CD1-CD2 4.12Å; L685-L727 HydrophobicContact CD2-CD2 4.41Å; L685-L727 HydrophobicContact CG-CD2 4.35Å; L685-L730 HydrophobicContact CD2-CD2 3.87Å; L685-F731 HydrophobicContact CD1-CZ 4.12Å; L685-F731 HydrophobicContact CD2-CE1 3.86Å; L685-F731 HydrophobicContact CD2-CZ 4.22Å
686P75.8Confident72.7Confident59 Ų5967.2 Ų67.238%0.38338%0.383SS..THydrogen-bonded Turntrans-59.5131.6179.724-32.2000110.6M688 L727 L730P686-M688 VanDerWaalsContact C-N 3.29Å; P686-M688 PolarHBondContact O-N 3.34Å; P686-L727 HydrophobicContact CG-CD2 4.34Å; P686-L730 HydrophobicContact CG-CD2 4.05Å
687G73.2Confident73.4Confident44 Ų4466.7 Ų66.745%0.45438%0.38SS..THydrogen-bonded Turntrans78.42.8177.900000115.7L685 G689 N692L685-G687 PolarHBondContact O-N 3.47Å; G687-G689 PolarHBondContact O-N 3.25Å; G687-N692 PolarHBondContact O-ND2 3.21Å
688M73.5Confident74Confident12 Ų1261.5 Ų61.56%0.05938%0.377CS..  trans-86.879.9178.2-69.3-60.797.400113L682 H683 L685 P686 N692 F696 I723 L727L682-M688 WeakPolarHBondContact O-CB 3.43Å; L682-M688 VanDerWaalsContact O-CG 3.26Å; L682-M688 WeakPolarHBondContact O-CG 3.32Å; H683-M688 PolarHBondContact ND1-O 3.45Å; L685-M688 HydrophobicContact CB-CB 4.32Å; L685-M688 HydrophobicContact CB-CG 3.64Å; L685-M688 HydrophobicContact CD1-CG 4.41Å; L685-M688 WeakPolarHBondContact O-CB 3.34Å; L685-M688 PolarHBondContact O-N 3.37Å; P686-M688 VanDerWaalsContact C-N 3.29Å; P686-M688 PolarHBondContact O-N 3.34Å; M688-N692 HydrophobicContact CE-CB 3.9Å; M688-N692 HydrophobicContact SD-CB 4.09Å; M688-F696 HydrophobicContact CE-CD2 4.37Å; M688-F696 HydrophobicContact CE-CE2 3.67Å; M688-F696 HydrophobicContact CE-CZ 4.41Å; M688-F696 HydrophobicContact SD-CD2 3.48Å; M688-F696 WeakPolarHBondContact SD-CD2 3.27Å; M688-F696 HydrophobicContact SD-CE2 3.35Å; M688-F696 WeakPolarHBondContact SD-CE2 3.43Å; M688-F696 HydrophobicContact SD-CZ 4.26Å; M688-I723 HydrophobicContact CE-CG2 3.26Å; M688-L727 HydrophobicContact CE-CD1 3.89Å
689G73.2Confident74.3Confident39 Ų3961.1 Ų61.140%0.40238%0.377SS..  trans-78.1176.3165.400000113.1G687 K691 N692 A693G687-G689 PolarHBondContact O-N 3.25Å; G689-K691 VanDerWaalsContact C-N 3.34Å; G689-K691 PolarHBondContact O-N 2.94Å; G689-N692 PolarHBondContact O-N 3.25Å; G689-N692 VanDerWaalsContact O-N 3.15Å; G689-A693 WeakPolarHBondContact O-CB 3.36Å; G689-A693 PolarHBondContact O-N 3.31Å
690E70Confident74.4Confident148 Ų14868.4 Ų68.469%0.69241%0.405SS*.Hα-helixtrans-52.9-45-177.6-69.3178.1175.100113.6N692 A694E690-N692 PolarHBondContact O-N 3.42Å; E690-A694 WeakPolarHBondContact O-CB 3.43Å; E690-A694 PolarHBondContact O-N 2.86Å
691K72.1Confident74.3Confident183 Ų18367.5 Ų67.580%0.79640%0.396SS*.Hα-helixtrans-63.9-40.3-179.7-65.9-176.2179.6-179.70112.8G689 A695G689-K691 VanDerWaalsContact C-N 3.34Å; G689-K691 PolarHBondContact O-N 2.94Å; K691-A695 PolarHBondContact O-N 3.3Å
692N75.5Confident74.3Confident38 Ų3868 Ų6820%0.20340%0.4CS..Hα-helixtrans-75.5-44.4-178.6-63-14.1000109.8G687 M688 G689 E690 A694 A695 F696 I723G687-N692 PolarHBondContact O-ND2 3.21Å; M688-N692 HydrophobicContact CE-CB 3.9Å; M688-N692 HydrophobicContact SD-CB 4.09Å; G689-N692 PolarHBondContact O-N 3.25Å; G689-N692 VanDerWaalsContact O-N 3.15Å; E690-N692 PolarHBondContact O-N 3.42Å; N692-A694 VanDerWaalsContact C-N 3.26Å; N692-A694 PolarHBondContact O-N 3.33Å; N692-A695 WeakPolarHBondContact O-CB 3.43Å; N692-A695 PolarHBondContact O-N 3.1Å; N692-F696 WeakPolarHBondContact O-CD2 3.42Å; N692-F696 PolarHBondContact O-N 2.73Å; N692-F696 VanDerWaalsContact O-N 3.08Å; N692-I723 WeakPolarHBondContact ND2-CD1 3.47Å
693A74Confident74.3Confident4 Ų470.3 Ų70.33%0.03341%0.411CS..Hα-helixtrans-58.5-37.3177.100000112.4H683 G689 F696 T697H683-A693 VanDerWaalsContact CE1-CB 3.46Å; H683-A693 WeakPolarHBondContact CE1-CB 3.35Å; G689-A693 WeakPolarHBondContact O-CB 3.36Å; G689-A693 PolarHBondContact O-N 3.31Å; A693-F696 PolarHBondContact O-N 2.88Å; A693-T697 WeakPolarHBondContact O-CB 3.42Å; A693-T697 PolarHBondContact O-N 3.49Å; A693-T697 PolarHBondContact O-OG1 3.32Å
694A75.9Confident74.6Confident59 Ų5975.9 Ų75.949%0.48843%0.429SS..Hα-helixtrans-62.2-41.3173.300000112.3E690 N692 T697 A698E690-A694 WeakPolarHBondContact O-CB 3.43Å; E690-A694 PolarHBondContact O-N 2.86Å; N692-A694 VanDerWaalsContact C-N 3.26Å; N692-A694 PolarHBondContact O-N 3.33Å; A694-T697 PolarHBondContact O-N 3.49Å; A694-A698 WeakPolarHBondContact O-CB 3.46Å; A694-A698 PolarHBondContact O-N 2.91Å
695A75.9Confident74.6Confident38 Ų3875.7 Ų75.731%0.31442%0.418SS..Hα-helixtrans-64.3-42.4176.700000112.4K691 N692 T697 A698 A699K691-A695 PolarHBondContact O-N 3.3Å; N692-A695 WeakPolarHBondContact O-CB 3.43Å; N692-A695 PolarHBondContact O-N 3.1Å; A695-T697 VanDerWaalsContact C-N 3.34Å; A695-T697 PolarHBondContact O-N 3.03Å; A695-A698 PolarHBondContact O-N 3.34Å; A695-A699 PolarHBondContact O-N 2.94Å
696F74.6Confident74.6Confident11 Ų1174.7 Ų74.75%0.04841%0.412CS..Hα-helixtrans-64.8-37.9174.6-77.5-80.1000112.5L682 M688 N692 A693 A699 L706 L714 L717 A718 L727L682-F696 HydrophobicContact CD1-CB 4.02Å; L682-F696 HydrophobicContact CD2-CB 4.35Å; M688-F696 HydrophobicContact CE-CD2 4.37Å; M688-F696 HydrophobicContact CE-CE2 3.67Å; M688-F696 HydrophobicContact CE-CZ 4.41Å; M688-F696 HydrophobicContact SD-CD2 3.48Å; M688-F696 WeakPolarHBondContact SD-CD2 3.27Å; M688-F696 HydrophobicContact SD-CE2 3.35Å; M688-F696 WeakPolarHBondContact SD-CE2 3.43Å; M688-F696 HydrophobicContact SD-CZ 4.26Å; N692-F696 WeakPolarHBondContact O-CD2 3.42Å; N692-F696 PolarHBondContact O-N 2.73Å; N692-F696 VanDerWaalsContact O-N 3.08Å; A693-F696 PolarHBondContact O-N 2.88Å; F696-A699 PolarHBondContact O-N 3.44Å; F696-L706 HydrophobicContact CD1-CD1 3.64Å; F696-L706 HydrophobicContact CE1-CD1 3.57Å; F696-L714 HydrophobicContact CE1-CD2 4.42Å; F696-L717 HydrophobicContact CD1-CB 4.31Å; F696-L717 HydrophobicContact CD1-CD1 4.25Å; F696-L717 HydrophobicContact CE1-CB 3.68Å; F696-L717 HydrophobicContact CE1-CD1 3.88Å; F696-L717 HydrophobicContact CE1-CG 4.42Å; F696-L717 HydrophobicContact CZ-CB 3.83Å; F696-A718 HydrophobicContact CE2-CB 4.07Å; F696-A718 HydrophobicContact CZ-CB 4.07Å; F696-L727 HydrophobicContact CZ-CD1 4.16Å
697T74.5Confident74.8Confident75 Ų7576.5 Ų76.546%0.4642%0.415SS..Hα-helixtrans-68.8-38.9176.9-53.10000111.2A693 A694 A695 A699 K700A693-T697 WeakPolarHBondContact O-CB 3.42Å; A693-T697 PolarHBondContact O-N 3.49Å; A693-T697 PolarHBondContact O-OG1 3.32Å; A694-T697 PolarHBondContact O-N 3.49Å; A695-T697 VanDerWaalsContact C-N 3.34Å; A695-T697 PolarHBondContact O-N 3.03Å; T697-A699 VanDerWaalsContact C-N 3.3Å; T697-A699 PolarHBondContact O-N 3.48Å; T697-K700 PolarHBondContact O-N 3.47Å
698A75.5Confident75.3Confident78 Ų7879.6 Ų79.665%0.64543%0.425SS*.Hα-helixtrans-65.5-32.4176.100000112.6A694 A695 K700A694-A698 WeakPolarHBondContact O-CB 3.46Å; A694-A698 PolarHBondContact O-N 2.91Å; A695-A698 PolarHBondContact O-N 3.34Å; A698-K700 PolarHBondContact O-N 3.22Å
699A72.1Confident75.7Confident39 Ų3981.1 Ų81.132%0.32243%0.432SS..THydrogen-bonded Turntrans-67-11.7177.200000114A695 F696 T697 L701 L717A695-A699 PolarHBondContact O-N 2.94Å; F696-A699 PolarHBondContact O-N 3.44Å; T697-A699 VanDerWaalsContact C-N 3.3Å; T697-A699 PolarHBondContact O-N 3.48Å; A699-L701 HydrophobicContact CB-CD1 3.86Å; A699-L701 HydrophobicContact CB-CG 4.05Å; A699-L701 PolarHBondContact O-N 3.42Å; A699-L701 VanDerWaalsContact O-N 3.08Å; A699-L717 HydrophobicContact CB-CD2 3.7Å
700K69.4Low76.2Confident189 Ų18983.7 Ų83.782%0.82244%0.437SS*.THydrogen-bonded Turntrans49.932.8178.9-65.4-176.4-179.5176.90114.2T697 A698T697-K700 PolarHBondContact O-N 3.47Å; A698-K700 PolarHBondContact O-N 3.22Å
701L68.8Low76.8Confident62 Ų6282 Ų8233%0.32543%0.427SS..  trans-80.2139.7179.9-68.4163.8000110.8A699 Q705 M709 L717A699-L701 HydrophobicContact CB-CD1 3.86Å; A699-L701 HydrophobicContact CB-CG 4.05Å; A699-L701 PolarHBondContact O-N 3.42Å; A699-L701 VanDerWaalsContact O-N 3.08Å; L701-Q705 HydrophobicContact CD2-CB 4.32Å; L701-M709 HydrophobicContact CD1-SD 3.74Å; L701-L717 HydrophobicContact CD1-CD1 3.52Å; L701-L717 HydrophobicContact CD1-CD2 4.36Å
702N76.9Confident77.3Confident113 Ų11379.3 Ų79.360%0.60442%0.417SS*.  trans-71.7146.5167.6-78.5-28.3000109.7R704 Q705 L706N702-R704 PolarHBondContact O-N 2.93Å; N702-R704 VanDerWaalsContact O-N 3.1Å; N702-Q705 HydrophobicContact CB-CG 4.45Å; N702-Q705 VanDerWaalsContact N-OE1 3.17Å; N702-Q705 WeakPolarHBondContact O-CA 3.46Å; N702-Q705 WeakPolarHBondContact O-CB 3.31Å; N702-Q705 PolarHBondContact O-N 2.75Å; N702-L706 PolarHBondContact O-N 2.98Å
703L76Confident77.6Confident60 Ų6078 Ų7831%0.31441%0.413SS..Hα-helixtrans-53-36.8179.2-71.1173.6000112.8L681 Q705 L706 F707L681-L703 HydrophobicContact CD1-CD1 4.09Å; L703-Q705 VanDerWaalsContact C-N 3.32Å; L703-Q705 PolarHBondContact O-N 2.68Å; L703-L706 HydrophobicContact CD2-CD2 4.39Å; L703-L706 WeakPolarHBondContact O-CB 3.15Å; L703-L706 PolarHBondContact O-N 3.42Å; L703-F707 HydrophobicContact CB-CE2 4.13Å; L703-F707 WeakPolarHBondContact O-CD2 3.42Å; L703-F707 WeakPolarHBondContact O-CG 3.1Å; L703-F707 PolarHBondContact O-N 2.96Å
704R79.9Confident77.8Confident211 Ų21177.8 Ų77.880%0.79641%0.411SS*.Hα-helixtrans-61-41.4175.2-173.2175.4-177.31801.2112.2N702 T708N702-R704 PolarHBondContact O-N 2.93Å; N702-R704 VanDerWaalsContact O-N 3.1Å; R704-T708 WeakPolarHBondContact O-CG2 3.27Å; R704-T708 PolarHBondContact O-N 2.72Å; R704-T708 PolarHBondContact O-OG1 2.88Å
705Q80Confident78.1Confident97 Ų9775.7 Ų75.745%0.45339%0.393SS..Hα-helixtrans-66.5-46.4177-69.5170.6-35.800109.8L701 N702 L703 F707 T708 M709L701-Q705 HydrophobicContact CD2-CB 4.32Å; N702-Q705 HydrophobicContact CB-CG 4.45Å; N702-Q705 VanDerWaalsContact N-OE1 3.17Å; N702-Q705 WeakPolarHBondContact O-CA 3.46Å; N702-Q705 WeakPolarHBondContact O-CB 3.31Å; N702-Q705 PolarHBondContact O-N 2.75Å; L703-Q705 VanDerWaalsContact C-N 3.32Å; L703-Q705 PolarHBondContact O-N 2.68Å; Q705-F707 VanDerWaalsContact C-N 3.34Å; Q705-F707 PolarHBondContact O-N 3.14Å; Q705-T708 WeakPolarHBondContact CA-OG1 3.43Å; Q705-T708 CarbonylContact O-C 3.5Å; Q705-T708 PolarHBondContact O-N 3.35Å; Q705-T708 PolarHBondContact O-OG1 3.47Å; Q705-M709 VanDerWaalsContact O-CG 3.3Å; Q705-M709 WeakPolarHBondContact O-CG 3.47Å; Q705-M709 PolarHBondContact O-N 3.44Å
706L79.5Confident78.4Confident9 Ų981.1 Ų81.15%0.04741%0.409CS..Hα-helixtrans-54-46.4178.1-176.668.8000112.6L682 F696 N702 L703 T708 M709 L714L682-L706 HydrophobicContact CD2-CD2 3.84Å; F696-L706 HydrophobicContact CD1-CD1 3.64Å; F696-L706 HydrophobicContact CE1-CD1 3.57Å; N702-L706 PolarHBondContact O-N 2.98Å; L703-L706 HydrophobicContact CD2-CD2 4.39Å; L703-L706 WeakPolarHBondContact O-CB 3.15Å; L703-L706 PolarHBondContact O-N 3.42Å; L706-T708 VanDerWaalsContact C-N 3.26Å; L706-T708 PolarHBondContact O-N 3.3Å; L706-M709 PolarHBondContact O-N 3.19Å; L706-L714 HydrophobicContact CD1-CD2 3.81Å
707F81Confident78.6Confident98 Ų9882.3 Ų82.343%0.4342%0.416SS..Hα-helixtrans-71.7-18.5179.9-61.5-39.8000114L703 Q705 F731L703-F707 HydrophobicContact CB-CE2 4.13Å; L703-F707 WeakPolarHBondContact O-CD2 3.42Å; L703-F707 WeakPolarHBondContact O-CG 3.1Å; L703-F707 PolarHBondContact O-N 2.96Å; Q705-F707 VanDerWaalsContact C-N 3.34Å; Q705-F707 PolarHBondContact O-N 3.14Å; F707-F731 AromaticContact CD1-CD1 3.78Å; F707-F731 HydrophobicContact CD1-CD1 3.78Å; F707-F731 HydrophobicContact CD1-CD2 4.06Å; F707-F731 AromaticContact CD1-CE1 3.65Å; F707-F731 HydrophobicContact CD1-CE1 3.65Å; F707-F731 AromaticContact CD1-CE2 3.93Å; F707-F731 HydrophobicContact CD1-CE2 3.93Å; F707-F731 AromaticContact CD1-CG 4Å; F707-F731 HydrophobicContact CD1-CG 4Å; F707-F731 AromaticContact CD1-CZ 3.73Å; F707-F731 HydrophobicContact CD1-CZ 3.73Å; F707-F731 HydrophobicContact CE1-CD1 4.07Å; F707-F731 AromaticContact CE1-CE1 3.58Å; F707-F731 HydrophobicContact CE1-CE1 3.58Å; F707-F731 HydrophobicContact CE1-CE2 4.44Å; F707-F731 AromaticContact CE1-CZ 3.79Å; F707-F731 HydrophobicContact CE1-CZ 3.79Å
708T83.2Confident78.5Confident109 Ų10978.8 Ų78.867%0.66940%0.395SS*.THydrogen-bonded Turntrans-98.11.1177.555.20000113.8R704 Q705 L706R704-T708 WeakPolarHBondContact O-CG2 3.27Å; R704-T708 PolarHBondContact O-N 2.72Å; R704-T708 PolarHBondContact O-OG1 2.88Å; Q705-T708 WeakPolarHBondContact CA-OG1 3.43Å; Q705-T708 CarbonylContact O-C 3.5Å; Q705-T708 PolarHBondContact O-N 3.35Å; Q705-T708 PolarHBondContact O-OG1 3.47Å; L706-T708 VanDerWaalsContact C-N 3.26Å; L706-T708 PolarHBondContact O-N 3.3Å
709M81.3Confident78.5Confident43 Ų4380.4 Ų80.421%0.21240%0.401CS..  trans-71.9147.7-178.5-75.8-173.872.400112.2L701 Q705 L706 L714 L717L701-M709 HydrophobicContact CD1-SD 3.74Å; Q705-M709 VanDerWaalsContact O-CG 3.3Å; Q705-M709 WeakPolarHBondContact O-CG 3.47Å; Q705-M709 PolarHBondContact O-N 3.44Å; L706-M709 PolarHBondContact O-N 3.19Å; M709-L714 HydrophobicContact CB-CD2 4.03Å; M709-L714 HydrophobicContact CB-CG 3.91Å; M709-L717 HydrophobicContact CE-CD1 3.52Å; M709-L717 HydrophobicContact CE-CG 4.35Å; M709-L717 HydrophobicContact SD-CD1 3.54Å; M709-L717 VanDerWaalsContact SD-CD1 3.54Å
710D83.8Confident78.8Confident94 Ų9480.5 Ų80.550%0.50340%0.4SS..  trans-72.9161.3173.163.3-13.6000111.6E712 G713 L714D710-E712 PolarHBondContact O-N 3.35Å; D710-G713 PolarHBondContact O-N 3.37Å; D710-G713 VanDerWaalsContact O-N 3.12Å; D710-G713 VanDerWaalsContact OD1-CA 3.28Å; D710-G713 WeakPolarHBondContact OD1-CA 3.47Å; D710-G713 PolarHBondContact OD1-N 2.9Å; D710-L714 PolarHBondContact O-N 3.19Å
711K83.8Confident79.2Confident112 Ų11277.7 Ų77.749%0.48739%0.393SS..Hα-helixtrans-55.6-37.9-179-176.5178.6177.9176.70112.5S715 Y728K711-S715 WeakPolarHBondContact O-CB 3.47Å; K711-S715 PolarHBondContact O-N 2.97Å; K711-S715 PolarHBondContact O-OG 2.7Å; K711-Y728 HydrophobicContact CB-CD1 4.45Å; K711-Y728 HydrophobicContact CB-CD2 3.95Å; K711-Y728 HydrophobicContact CB-CE2 4.38Å; K711-Y728 HydrophobicContact CB-CG 3.98Å; K711-Y728 HydrophobicContact CG-CG 4.47Å
712E81.9Confident79.8Confident126 Ų12680.6 Ų80.659%0.58941%0.409SS*.Hα-helixtrans-72.4-37.1178.6-66.2-169-177.600112.8D710 S715 K716D710-E712 PolarHBondContact O-N 3.35Å; E712-S715 WeakPolarHBondContact CA-OG 3.38Å; E712-S715 PolarHBondContact O-OG 3.24Å; E712-S715 VanDerWaalsContact O-OG 3.05Å; E712-K716 WeakPolarHBondContact O-CB 3.43Å; E712-K716 WeakPolarHBondContact O-CD 3.29Å; E712-K716 WeakPolarHBondContact O-CG 3.3Å; E712-K716 PolarHBondContact O-N 2.97Å
713G81.1Confident79.9Confident10 Ų1076.6 Ų76.610%0.10339%0.387CS..Hα-helixtrans-64.6-42.3174.100000111.9D710 L717D710-G713 PolarHBondContact O-N 3.37Å; D710-G713 VanDerWaalsContact O-N 3.12Å; D710-G713 VanDerWaalsContact OD1-CA 3.28Å; D710-G713 WeakPolarHBondContact OD1-CA 3.47Å; D710-G713 PolarHBondContact OD1-N 2.9Å; G713-L717 WeakPolarHBondContact O-CG 3.23Å; G713-L717 PolarHBondContact O-N 2.86Å; G713-L717 VanDerWaalsContact O-N 3.11Å
714L79.3Confident80.1Confident0 Ų073.8 Ų73.80%037%0.372CS..Hα-helixtrans-67.8-39.6177-70.3173.9000112.5F696 L706 M709 D710 L717 A718 L727 Y728 F731F696-L714 HydrophobicContact CE1-CD2 4.42Å; L706-L714 HydrophobicContact CD1-CD2 3.81Å; M709-L714 HydrophobicContact CB-CD2 4.03Å; M709-L714 HydrophobicContact CB-CG 3.91Å; D710-L714 PolarHBondContact O-N 3.19Å; L714-L717 PolarHBondContact O-N 3.38Å; L714-A718 WeakPolarHBondContact O-CB 3.39Å; L714-A718 PolarHBondContact O-N 3.17Å; L714-L727 HydrophobicContact CD1-CB 4.33Å; L714-Y728 HydrophobicContact CD1-CD2 4.36Å; L714-F731 HydrophobicContact CD1-CD2 4.16Å; L714-F731 HydrophobicContact CD1-CE2 4.23Å; L714-F731 HydrophobicContact CD2-CE2 4.47Å
715S82.7Confident80.2Confident15 Ų1564.7 Ų64.711%0.10534%0.341CS..Hα-helixtrans-68.5-36.2177.2660000112.7K711 E712 S719 S720 N721K711-S715 WeakPolarHBondContact O-CB 3.47Å; K711-S715 PolarHBondContact O-N 2.97Å; K711-S715 PolarHBondContact O-OG 2.7Å; E712-S715 WeakPolarHBondContact CA-OG 3.38Å; E712-S715 PolarHBondContact O-OG 3.24Å; E712-S715 VanDerWaalsContact O-OG 3.05Å; S715-S719 PolarHBondContact O-N 3.29Å; S715-S720 PolarHBondContact O-N 2.9Å; S715-N721 WeakPolarHBondContact CB-OD1 3.2Å
716K81.5Confident80.4Confident152 Ų15263.6 Ų63.666%0.66134%0.339SS*.Hα-helixtrans-62.4-43.4172.9-76.9169.9-174.8164.90111.8E712 S719E712-K716 WeakPolarHBondContact O-CB 3.43Å; E712-K716 WeakPolarHBondContact O-CD 3.29Å; E712-K716 WeakPolarHBondContact O-CG 3.3Å; E712-K716 PolarHBondContact O-N 2.97Å; K716-S719 PolarHBondContact O-N 3.23Å
717L78Confident80.5Confident36 Ų3663.3 Ų63.319%0.18834%0.337CS..Hα-helixtrans-68.1-43178.4-73.9171.2000112.9F696 A699 L701 M709 G713 L714 S719F696-L717 HydrophobicContact CD1-CB 4.31Å; F696-L717 HydrophobicContact CD1-CD1 4.25Å; F696-L717 HydrophobicContact CE1-CB 3.68Å; F696-L717 HydrophobicContact CE1-CD1 3.88Å; F696-L717 HydrophobicContact CE1-CG 4.42Å; F696-L717 HydrophobicContact CZ-CB 3.83Å; A699-L717 HydrophobicContact CB-CD2 3.7Å; L701-L717 HydrophobicContact CD1-CD1 3.52Å; L701-L717 HydrophobicContact CD1-CD2 4.36Å; M709-L717 HydrophobicContact CE-CD1 3.52Å; M709-L717 HydrophobicContact CE-CG 4.35Å; M709-L717 HydrophobicContact SD-CD1 3.54Å; M709-L717 VanDerWaalsContact SD-CD1 3.54Å; G713-L717 WeakPolarHBondContact O-CG 3.23Å; G713-L717 PolarHBondContact O-N 2.86Å; G713-L717 VanDerWaalsContact O-N 3.11Å; L714-L717 PolarHBondContact O-N 3.38Å; L717-S719 PolarHBondContact O-N 2.8Å
718A72.1Confident80.7Confident2 Ų262.5 Ų62.52%0.01733%0.332CS..Hα-helixtrans-78.3-4.7179.800000113.6F696 L714 S720 I723F696-A718 HydrophobicContact CE2-CB 4.07Å; F696-A718 HydrophobicContact CZ-CB 4.07Å; L714-A718 WeakPolarHBondContact O-CB 3.39Å; L714-A718 PolarHBondContact O-N 3.17Å; A718-S720 PolarHBondContact O-N 3.06Å; A718-I723 HydrophobicContact CB-CB 4.18Å; A718-I723 HydrophobicContact CB-CG2 3.98Å
719S75.7Confident80.7Confident111 Ų11160.7 Ų60.778%0.77632%0.318SS*.THydrogen-bonded Turntrans51.520.2-172.1-57.60000113.8S715 K716 L717S715-S719 PolarHBondContact O-N 3.29Å; K716-S719 PolarHBondContact O-N 3.23Å; L717-S719 PolarHBondContact O-N 2.8Å
720S79.5Confident80.8Confident42 Ų4262.6 Ų62.629%0.29433%0.328SS..  trans-149.8123-174.9175.60000110.1S715 A718 L722 G724S715-S720 PolarHBondContact O-N 2.9Å; A718-S720 PolarHBondContact O-N 3.06Å; S720-L722 VanDerWaalsContact C-N 3.31Å; S720-L722 PolarHBondContact O-N 2.95Å; S720-G724 PolarHBondContact O-N 3.03Å; S720-G724 VanDerWaalsContact O-N 3.08Å
721N77.9Confident80.8Confident129 Ų12960.2 Ų60.269%0.6931%0.314SS*.Hα-helixtrans-66.4-32.1179.4-75.6-20.5000113S715 S725S715-N721 WeakPolarHBondContact CB-OD1 3.2Å; N721-S725 PolarHBondContact O-N 3.48Å; N721-S725 PolarHBondContact O-OG 2.92Å
722L80.1Confident80.6Confident124 Ų12458.6 Ų58.665%0.64931%0.31SS*.Hα-helixtrans-70.3-46.1-178.5-154.391.6000110.9S720 S725 D726S720-L722 VanDerWaalsContact C-N 3.31Å; S720-L722 PolarHBondContact O-N 2.95Å; L722-S725 PolarHBondContact O-N 3.28Å; L722-S725 PolarHBondContact O-OG 2.69Å; L722-D726 VanDerWaalsContact O-CG 3.25Å; L722-D726 PolarHBondContact O-N 3.05Å
723I80Confident80.4Confident29 Ų2957.3 Ų57.315%0.14931%0.308CS..Hα-helixtrans-68-41.5179.4-60.2173.7000109.9M688 N692 A718 S725 D726 L727M688-I723 HydrophobicContact CE-CG2 3.26Å; N692-I723 WeakPolarHBondContact ND2-CD1 3.47Å; A718-I723 HydrophobicContact CB-CB 4.18Å; A718-I723 HydrophobicContact CB-CG2 3.98Å; I723-S725 VanDerWaalsContact C-N 3.31Å; I723-S725 PolarHBondContact O-N 2.88Å; I723-D726 PolarHBondContact O-N 2.74Å; I723-L727 HydrophobicContact CG2-CD1 4.11Å; I723-L727 HydrophobicContact CG2-CG 4.36Å; I723-L727 WeakPolarHBondContact O-CB 3.45Å; I723-L727 VanDerWaalsContact O-CG 3.28Å; I723-L727 WeakPolarHBondContact O-CG 3.47Å; I723-L727 PolarHBondContact O-N 3.43Å
724G79.7Confident79.7Confident0 Ų062.7 Ų62.70%033%0.334CS..Hα-helixtrans-59.6-38.9174.300000113.1S720 Y728S720-G724 PolarHBondContact O-N 3.03Å; S720-G724 VanDerWaalsContact O-N 3.08Å; G724-Y728 WeakPolarHBondContact O-CB 3.48Å; G724-Y728 PolarHBondContact O-N 3.28Å; G724-Y728 VanDerWaalsContact O-N 3.09Å
725S82.8Confident78.7Confident21 Ų2171.4 Ų71.415%0.14737%0.372CS..Hα-helixtrans-70-41.6175.6580000113.3N721 L722 I723 L727 Y728 N729N721-S725 PolarHBondContact O-N 3.48Å; N721-S725 PolarHBondContact O-OG 2.92Å; L722-S725 PolarHBondContact O-N 3.28Å; L722-S725 PolarHBondContact O-OG 2.69Å; I723-S725 VanDerWaalsContact C-N 3.31Å; I723-S725 PolarHBondContact O-N 2.88Å; S725-L727 VanDerWaalsContact C-N 3.34Å; S725-Y728 PolarHBondContact O-N 3.05Å; S725-N729 WeakPolarHBondContact O-CB 3.15Å; S725-N729 PolarHBondContact O-N 3.41Å; S725-N729 PolarHBondContact O-ND2 2.72Å; S725-N729 PolarHBondContact O-OD1 3Å
726D83Confident77.4Confident74 Ų7475.1 Ų75.140%0.39640%0.398SS..Hα-helixtrans-66.6-39.1-179.1-68-15.9000111.3L722 I723 L730L722-D726 VanDerWaalsContact O-CG 3.25Å; L722-D726 PolarHBondContact O-N 3.05Å; I723-D726 PolarHBondContact O-N 2.74Å; D726-L730 WeakPolarHBondContact O-CB 3.38Å; D726-L730 PolarHBondContact O-N 3.08Å
727L82.6Confident75.7Confident2 Ų271 Ų711%0.0139%0.388CS..Hα-helixtrans-65.3-44.7173.4-69.2177.3000111.9L685 P686 M688 F696 L714 I723 S725 N729 L730 F731L685-L727 HydrophobicContact CB-CD2 3.8Å; L685-L727 HydrophobicContact CD1-CD2 4.12Å; L685-L727 HydrophobicContact CD2-CD2 4.41Å; L685-L727 HydrophobicContact CG-CD2 4.35Å; P686-L727 HydrophobicContact CG-CD2 4.34Å; M688-L727 HydrophobicContact CE-CD1 3.89Å; F696-L727 HydrophobicContact CZ-CD1 4.16Å; L714-L727 HydrophobicContact CD1-CB 4.33Å; I723-L727 HydrophobicContact CG2-CD1 4.11Å; I723-L727 HydrophobicContact CG2-CG 4.36Å; I723-L727 WeakPolarHBondContact O-CB 3.45Å; I723-L727 VanDerWaalsContact O-CG 3.28Å; I723-L727 WeakPolarHBondContact O-CG 3.47Å; I723-L727 PolarHBondContact O-N 3.43Å; S725-L727 VanDerWaalsContact C-N 3.34Å; L727-N729 VanDerWaalsContact C-N 3.33Å; L727-N729 PolarHBondContact O-N 3.38Å; L727-L730 PolarHBondContact O-N 2.77Å; L727-F731 HydrophobicContact CB-CE2 4.13Å; L727-F731 HydrophobicContact CB-CZ 4.34Å; L727-F731 HydrophobicContact CD2-CZ 4.19Å; L727-F731 VanDerWaalsContact O-CD2 3.26Å; L727-F731 WeakPolarHBondContact O-CD2 3.43Å; L727-F731 WeakPolarHBondContact O-CG 3.25Å; L727-F731 PolarHBondContact O-N 2.94Å
728Y84.4Confident74.2Confident82 Ų8271.9 Ų71.932%0.32240%0.401SS..Hα-helixtrans-62-42.3178.7-176.9-90.2000111.9K711 L714 G724 S725 F731 N732K711-Y728 HydrophobicContact CB-CD1 4.45Å; K711-Y728 HydrophobicContact CB-CD2 3.95Å; K711-Y728 HydrophobicContact CB-CE2 4.38Å; K711-Y728 HydrophobicContact CB-CG 3.98Å; K711-Y728 HydrophobicContact CG-CG 4.47Å; L714-Y728 HydrophobicContact CD1-CD2 4.36Å; G724-Y728 WeakPolarHBondContact O-CB 3.48Å; G724-Y728 PolarHBondContact O-N 3.28Å; G724-Y728 VanDerWaalsContact O-N 3.09Å; S725-Y728 PolarHBondContact O-N 3.05Å; Y728-F731 PolarHBondContact O-N 3.26Å; Y728-N732 VanDerWaalsContact CD2-ND2 3.33Å; Y728-N732 WeakPolarHBondContact CD2-ND2 3.46Å; Y728-N732 HydrophobicContact CE1-CB 4.41Å; Y728-N732 WeakPolarHBondContact CE2-ND2 3.45Å; Y728-N732 VanDerWaalsContact CZ-ND2 3.27Å; Y728-N732 WeakPolarHBondContact O-CB 3.45Å; Y728-N732 PolarHBondContact O-N 2.95Å; Y728-N732 VanDerWaalsContact O-N 3.11Å; Y728-N732 PolarHBondContact O-ND2 2.92Å
729N83.6Confident72.7Confident70 Ų7078.3 Ų78.337%0.37443%0.43SS..Hα-helixtrans-64.6-46.2175.8-65.6-15.6000110.5S725 L727 F731 N732 D733S725-N729 WeakPolarHBondContact O-CB 3.15Å; S725-N729 PolarHBondContact O-N 3.41Å; S725-N729 PolarHBondContact O-ND2 2.72Å; S725-N729 PolarHBondContact O-OD1 3Å; L727-N729 VanDerWaalsContact C-N 3.33Å; L727-N729 PolarHBondContact O-N 3.38Å; N729-F731 PolarHBondContact O-N 3.02Å; N729-N732 PolarHBondContact O-N 3.25Å; N729-D733 WeakPolarHBondContact O-CB 3.38Å; N729-D733 PolarHBondContact O-N 3.34Å
730L83.8Confident71.2Confident83 Ų8379.5 Ų79.544%0.43542%0.424SS..Hα-helixtrans-57.1-37.6177.5-17769.6000113L685 P686 D726 L727L685-L730 HydrophobicContact CD2-CD2 3.87Å; P686-L730 HydrophobicContact CG-CD2 4.05Å; D726-L730 WeakPolarHBondContact O-CB 3.38Å; D726-L730 PolarHBondContact O-N 3.08Å; L727-L730 PolarHBondContact O-N 2.77Å
731F83.2Confident69.5Low45 Ų4582.5 Ų82.520%0.19744%0.44CS..Hα-helixtrans-80.3-28.8-177.5-59.6-23.5000113.7L685 F707 L714 L727 Y728 N729L685-F731 HydrophobicContact CD1-CZ 4.12Å; L685-F731 HydrophobicContact CD2-CE1 3.86Å; L685-F731 HydrophobicContact CD2-CZ 4.22Å; F707-F731 AromaticContact CD1-CD1 3.78Å; F707-F731 HydrophobicContact CD1-CD1 3.78Å; F707-F731 HydrophobicContact CD1-CD2 4.06Å; F707-F731 AromaticContact CD1-CE1 3.65Å; F707-F731 HydrophobicContact CD1-CE1 3.65Å; F707-F731 AromaticContact CD1-CE2 3.93Å; F707-F731 HydrophobicContact CD1-CE2 3.93Å; F707-F731 AromaticContact CD1-CG 4Å; F707-F731 HydrophobicContact CD1-CG 4Å; F707-F731 AromaticContact CD1-CZ 3.73Å; F707-F731 HydrophobicContact CD1-CZ 3.73Å; F707-F731 HydrophobicContact CE1-CD1 4.07Å; F707-F731 AromaticContact CE1-CE1 3.58Å; F707-F731 HydrophobicContact CE1-CE1 3.58Å; F707-F731 HydrophobicContact CE1-CE2 4.44Å; F707-F731 AromaticContact CE1-CZ 3.79Å; F707-F731 HydrophobicContact CE1-CZ 3.79Å; L714-F731 HydrophobicContact CD1-CD2 4.16Å; L714-F731 HydrophobicContact CD1-CE2 4.23Å; L714-F731 HydrophobicContact CD2-CE2 4.47Å; L727-F731 HydrophobicContact CB-CE2 4.13Å; L727-F731 HydrophobicContact CB-CZ 4.34Å; L727-F731 HydrophobicContact CD2-CZ 4.19Å; L727-F731 VanDerWaalsContact O-CD2 3.26Å; L727-F731 WeakPolarHBondContact O-CD2 3.43Å; L727-F731 WeakPolarHBondContact O-CG 3.25Å; L727-F731 PolarHBondContact O-N 2.94Å; Y728-F731 PolarHBondContact O-N 3.26Å; N729-F731 PolarHBondContact O-N 3.02Å
732N80.8Confident67.8Low78 Ų7883.3 Ų83.342%0.41744%0.443SS..Hα-helixtrans-111.8-5.7-173.2-63.1-62.4000114.2Y728 N729 D734Y728-N732 VanDerWaalsContact CD2-ND2 3.33Å; Y728-N732 WeakPolarHBondContact CD2-ND2 3.46Å; Y728-N732 HydrophobicContact CE1-CB 4.41Å; Y728-N732 WeakPolarHBondContact CE2-ND2 3.45Å; Y728-N732 VanDerWaalsContact CZ-ND2 3.27Å; Y728-N732 WeakPolarHBondContact O-CB 3.45Å; Y728-N732 PolarHBondContact O-N 2.95Å; Y728-N732 VanDerWaalsContact O-N 3.11Å; Y728-N732 PolarHBondContact O-ND2 2.92Å; N729-N732 PolarHBondContact O-N 3.25Å; N732-D734 PolarHBondContact O-N 3.45Å
733D77.4Confident65.7Low99 Ų9980.1 Ų80.153%0.52944%0.44SS..  trans-71.1113.4174.6-79.9-15.7000109.8N729 F735N729-D733 WeakPolarHBondContact O-CB 3.38Å; N729-D733 PolarHBondContact O-N 3.34Å; D733-F735 PolarHBondContact O-N 3.5Å
734D64.8Low63.7Low122 Ų12286.9 Ų86.965%0.65247%0.468SS*.  trans-64.6118168.8-79.3-31.5000109.2N732 S736 S737N732-D734 PolarHBondContact O-N 3.45Å; D734-S736 PolarHBondContact O-N 3Å; D734-S737 PolarHBondContact O-N 3.05Å; D734-S737 PolarHBondContact O-OG 3.27Å
735F58.5Low61.4Low183 Ų18397.9 Ų97.980%0.80351%0.51SS*.Hα-helixtrans-54.4-14.7177.6-93.5-90.6000113.8D733 S737D733-F735 PolarHBondContact O-N 3.5Å; F735-S737 VanDerWaalsContact C-N 3.32Å; F735-S737 PolarHBondContact O-N 3.24Å
736S55.3Low58.9Low94 Ų94106 Ų10666%0.65754%0.543SS*.Hα-helixtrans-68.8-24.3173.348.30000114.3D734D734-S736 PolarHBondContact O-N 3Å
737S46.4Very low56.4Low64 Ų64114 Ų11445%0.44857%0.567SS.*Hα-helixtrans-90.1-27.9-176.564.30000113.8D734 F735 E739 E740D734-S737 PolarHBondContact O-N 3.05Å; D734-S737 PolarHBondContact O-OG 3.27Å; F735-S737 VanDerWaalsContact C-N 3.32Å; F735-S737 PolarHBondContact O-N 3.24Å; S737-E739 PolarHBondContact O-N 3.45Å; S737-E740 PolarHBondContact O-N 2.92Å
738A45.8Very low54Low55 Ų55123.7 Ų123.746%0.45561%0.609SS.*Hα-helixtrans-70.8-27.1179.900000113.5E740 V741A738-E740 VanDerWaalsContact C-N 3.33Å; A738-E740 PolarHBondContact O-N 2.62Å; A738-V741 PolarHBondContact O-N 2.94Å
739E41.6Very low51.7Low137 Ų137131 Ų13164%0.6465%0.651SS**Hα-helixtrans-70.7-25.1177.2-71.2-169160.200113.2S737 V741S737-E739 PolarHBondContact O-N 3.45Å; E739-V741 VanDerWaalsContact C-N 3.32Å; E739-V741 PolarHBondContact O-N 3.06Å
740E43.4Very low50.2Low137 Ų137134.1 Ų134.164%0.6467%0.665SS**Hα-helixtrans-71.2-26.7174.8-76.4-161.8157.900113S737 A738S737-E740 PolarHBondContact O-N 2.92Å; A738-E740 VanDerWaalsContact C-N 3.33Å; A738-E740 PolarHBondContact O-N 2.62Å
741V44.3Very low48.4Very low104 Ų104136.7 Ų136.763%0.6368%0.677SS**Hα-helixtrans-78.8-29.9-175.5-178.10000111.8A738 E739 G743 K744A738-V741 PolarHBondContact O-N 2.94Å; E739-V741 VanDerWaalsContact C-N 3.32Å; E739-V741 PolarHBondContact O-N 3.06Å; V741-G743 VanDerWaalsContact C-N 3.29Å; V741-G743 PolarHBondContact O-N 3.01Å; V741-K744 PolarHBondContact O-N 2.98Å
742I42.6Very low46.4Very low146 Ų146141.8 Ų141.875%0.74970%0.704SS**Hα-helixtrans-71.6-26.6177.5-59.2175000111.1
743G36.7Very low44.4Very low57 Ų57145.6 Ų145.659%0.58872%0.721SS**THydrogen-bonded Turntrans-77-15.317700000115.9V741V741-G743 VanDerWaalsContact C-N 3.29Å; V741-G743 PolarHBondContact O-N 3.01Å
744K36.3Very low42.4Very low171 Ų171148.5 Ų148.574%0.74373%0.733SS**THydrogen-bonded Turntrans-98.1-2.9-174.2-77.6-179.4-179.7167.40115.6V741 K746V741-K744 PolarHBondContact O-N 2.98Å; K744-K746 VanDerWaalsContact C-N 3.25Å; K744-K746 PolarHBondContact O-N 2.71Å; K744-K746 VanDerWaalsContact O-N 3.12Å
745R31.9Very low40.9Very low232 Ų232150.3 Ų150.388%0.87574%0.738SS**  trans-86.358.5168.9-77.2-174.5174.6175.40.3112R747R745-R747 PolarHBondContact O-N 3.14Å
746K31Very low39.6Very low192 Ų192147.9 Ų147.984%0.83573%0.734SS**  trans-73.9101.7155.9-78.8-172.5178.2-179.40107.5K744 K748K744-K746 VanDerWaalsContact C-N 3.25Å; K744-K746 PolarHBondContact O-N 2.71Å; K744-K746 VanDerWaalsContact O-N 3.12Å; K746-K748 PolarHBondContact O-N 3.26Å; K746-K748 VanDerWaalsContact O-N 3.12Å
747R30.5Very low38.4Very low241 Ų241152.1 Ų152.191%0.90974%0.74SS**  trans-56.7112.6156.4-81.4179.6170.2171.3-3.9106.6R745 I749R745-R747 PolarHBondContact O-N 3.14Å; R747-I749 PolarHBondContact O-N 3.24Å
748K31.5Very low37.8Very low205 Ų205159.4 Ų159.489%0.89176%0.764SS**  trans-62.2123.9152.9-82.2-177.2173.4-178.40105.8K746K746-K748 PolarHBondContact O-N 3.26Å; K746-K748 VanDerWaalsContact O-N 3.12Å
749I37.3Very low37Very low236 Ų236168.9 Ų168.9100%1.2179%0.792SS**  trans-64.30154.7-64.2174.6000106.8R747R747-I749 PolarHBondContact O-N 3.24Å

Retrieved 749 of 749 residues in 217.8 ms (Link to these results)

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