A0A5K4F4P2_SCHMA Loading...

Structural maintenance of chromosomes protein

AlphaFold DB , UniProt , Accession A0A5K4F4P2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,210 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
1M84.1Confident91Very high25 Ų2523.3 Ų23.312%0.12310%0.104CC..  0134.50178.6-173.968.400109.2F82 D83 D86 R88 I89 A128 F130 P1131M1-F82 HydrophobicContact CG-CB 4.36Å; M1-D83 CarbonylContact C-O 3.52Å; M1-D83 WeakPolarHBondContact CA-O 3.31Å; M1-D83 WeakPolarHBondContact CG-O 3.43Å; M1-D86 WeakPolarHBondContact CA-OD1 3.44Å; M1-D86 VanDerWaalsContact CB-OD1 3.32Å; M1-D86 WeakPolarHBondContact CB-OD1 3.24Å; M1-D86 PolarHBondContact N-OD1 3.05Å; M1-D86 PolarHBondContact N-OD2 2.78Å; M1-R88 HydrophobicContact CB-CB 4.29Å; M1-I89 HydrophobicContact SD-CD1 3.54Å; M1-I89 VanDerWaalsContact SD-CD1 3.54Å; M1-I89 HydrophobicContact SD-CG1 3.64Å; M1-A128 HydrophobicContact CE-CB 4.48Å; M1-F130 HydrophobicContact CE-CE1 4.5Å; M1-F130 HydrophobicContact CE-CE2 3.42Å; M1-F130 VanDerWaalsContact CE-CE2 3.42Å; M1-F130 HydrophobicContact CE-CZ 3.37Å; M1-F130 HydrophobicContact SD-CE2 4.33Å; M1-P1131 HydrophobicContact CE-CB 3.26Å; M1-P1131 HydrophobicContact CE-CG 3.05Å
2Y88.6Confident90.9Very high51 Ų5128.1 Ų28.120%0.212%0.121CC..EExtended strand (participates in β ladder)trans-147.6164173.365.9-85.1000111.2K4 P25 F82 D83Y2-K4 HydrophobicContact CE2-CB 4.07Å; Y2-K4 HydrophobicContact CE2-CG 4.4Å; Y2-K4 PolarHBondContact O-N 3.03Å; Y2-P25 HydrophobicContact CD1-CB 4.12Å; Y2-P25 HydrophobicContact CD2-CB 4.24Å; Y2-P25 HydrophobicContact CE1-CB 4.3Å; Y2-P25 HydrophobicContact CE2-CB 4.42Å; Y2-P25 HydrophobicContact CG-CB 4.13Å; Y2-F82 WeakPolarHBondContact O-CA 3.33Å; Y2-D83 HydrophobicContact CD1-CB 3.82Å; Y2-D83 HydrophobicContact CE1-CB 3.3Å; Y2-D83 WeakPolarHBondContact CE1-OD2 3.33Å; Y2-D83 HydrophobicContact CE2-CB 4.17Å; Y2-D83 HydrophobicContact CG-CB 4.4Å; Y2-D83 VanDerWaalsContact CZ-CB 3.47Å; Y2-D83 VanDerWaalsContact CZ-OD2 3.31Å; Y2-D83 PolarHBondContact N-O 3.09Å; Y2-D83 PolarHBondContact O-N 3.5Å; Y2-D83 PolarHBondContact OH-OD2 3.35Å
3I91.1Very high90.8Very high0 Ų026.9 Ų26.90%012%0.119CC..EExtended strand (participates in β ladder)trans-76.3107.9174.5-57.8169.2000107.5V6 F23 I45 M80 F82 F1132 Q1162 I1164I3-V6 HydrophobicContact CG2-CG2 3.57Å; I3-F23 HydrophobicContact CG2-CD2 4.26Å; I3-F23 WeakPolarHBondContact O-CB 3.12Å; I3-I45 HydrophobicContact CD1-CG2 4.23Å; I3-M80 HydrophobicContact CB-CE 4.39Å; I3-M80 HydrophobicContact CD1-CE 3.39Å; I3-M80 HydrophobicContact CG1-CE 3.57Å; I3-M80 HydrophobicContact CG2-CE 3.91Å; I3-F82 HydrophobicContact CG1-CD1 4.22Å; I3-F82 HydrophobicContact CG1-CE1 3.88Å; I3-F1132 HydrophobicContact CD1-CB 4.46Å; I3-F1132 HydrophobicContact CD1-CD1 3.64Å; I3-F1132 HydrophobicContact CD1-CD2 3.76Å; I3-F1132 HydrophobicContact CD1-CE1 3.75Å; I3-F1132 HydrophobicContact CD1-CE2 3.91Å; I3-F1132 HydrophobicContact CD1-CG 3.67Å; I3-F1132 HydrophobicContact CD1-CZ 3.93Å; I3-F1132 HydrophobicContact CG1-CD1 3.57Å; I3-F1132 HydrophobicContact CG1-CE1 3.74Å; I3-F1132 HydrophobicContact CG1-CG 4.05Å; I3-F1132 HydrophobicContact CG1-CZ 4.4Å; I3-Q1162 PolarHBondContact O-NE2 3.3Å; I3-I1164 HydrophobicContact CD1-CD1 4.16Å
4K91.2Very high90.8Very high36 Ų3625 Ų2516%0.15711%0.11CC..EExtended strand (participates in β ladder)trans-76.9-42.5175.9-172.8171.1179.2173.10110.8Y2 E22 F23 I81 E95Y2-K4 HydrophobicContact CE2-CB 4.07Å; Y2-K4 HydrophobicContact CE2-CG 4.4Å; Y2-K4 PolarHBondContact O-N 3.03Å; K4-E22 VanDerWaalsContact CE-CD 3.45Å; K4-E22 WeakPolarHBondContact CE-OE1 3.46Å; K4-E22 HydrophobicContact CG-CG 4.43Å; K4-E22 IonicContact NZ-OE1 2.71Å; K4-E22 VanDerWaalsContact O-CA 3.3Å; K4-E22 WeakPolarHBondContact O-CA 3.32Å; K4-F23 PolarHBondContact O-N 3.23Å; K4-I81 WeakPolarHBondContact CB-O 3.07Å; K4-I81 PolarHBondContact N-O 3.23Å; K4-E95 IonicContact NZ-OE1 3.98Å; K4-E95 PolarHBondContact NZ-OE1 3.45Å
5K91.2Very high90.5Very high56 Ų5628.1 Ų28.124%0.24312%0.121CC..EExtended strand (participates in β ladder)trans-156.2148.1-173.2-165.7170.9-179175.60112.7C19 I81K5-C19 WeakPolarHBondContact CE-SG 3.44Å; K5-C19 PolarHBondContact NZ-SG 3.01Å; K5-I81 HydrophobicContact CB-CB 4.23Å; K5-I81 HydrophobicContact CB-CD1 4.36Å; K5-I81 HydrophobicContact CD-CD1 4.36Å; K5-I81 PolarHBondContact N-O 3.41Å; K5-I81 PolarHBondContact O-N 3.48Å
6V92.3Very high90.1Very high0 Ų030.6 Ų30.60%014%0.136CC..EExtended strand (participates in β ladder)trans-127.5121.6175.4-175.60000109I3 I8 P20 F23 F41 I45 V78 E79 M80I3-V6 HydrophobicContact CG2-CG2 3.57Å; V6-I8 HydrophobicContact CG1-CD1 4.13Å; V6-I8 HydrophobicContact CG1-CG1 3.81Å; V6-P20 WeakPolarHBondContact O-CD 3.41Å; V6-F23 HydrophobicContact CG2-CE2 4.02Å; V6-F41 HydrophobicContact CB-CZ 4.23Å; V6-F41 HydrophobicContact CG2-CZ 4.45Å; V6-I45 HydrophobicContact CG1-CG1 4.26Å; V6-I45 HydrophobicContact CG2-CD1 4.24Å; V6-I45 HydrophobicContact CG2-CG1 4.12Å; V6-V78 HydrophobicContact CG1-CG1 4.12Å; V6-E79 CarbonylContact C-O 3.52Å; V6-E79 WeakPolarHBondContact CA-O 3.49Å; V6-M80 HydrophobicContact CG2-CE 4.45Å; V6-M80 HydrophobicContact CG2-CG 4.48Å
7I93.2Very high89.8Confident16 Ų1635.3 Ų35.38%0.08216%0.159CC..EExtended strand (participates in β ladder)trans-107.8121.4177.6-57.4170.5000107.5Q17 Y77 V78 E79 I81I7-Q17 HydrophobicContact CG2-CG 3.69Å; I7-Y77 HydrophobicContact CG2-CE2 4.04Å; I7-V78 WeakPolarHBondContact O-CA 3.36Å; I7-E79 HydrophobicContact CB-CB 4.22Å; I7-E79 PolarHBondContact N-O 3.12Å; I7-E79 PolarHBondContact O-N 2.92Å; I7-I81 HydrophobicContact CD1-CD1 4.29Å
8I93.6Very high89.4Confident1 Ų133.9 Ų33.91%0.00515%0.153CC..EExtended strand (participates in β ladder)trans-120.5129.8-176.9-53.3174.5000108.2V6 F11 Y14 Q17 T18 F41 A44 V78V6-I8 HydrophobicContact CG1-CD1 4.13Å; V6-I8 HydrophobicContact CG1-CG1 3.81Å; I8-F11 HydrophobicContact CG2-CB 3.57Å; I8-F11 HydrophobicContact CG2-CD1 4.44Å; I8-F11 HydrophobicContact CG2-CG 4.33Å; I8-Y14 HydrophobicContact CD1-CD2 4.31Å; I8-Y14 HydrophobicContact CD1-CE2 4.38Å; I8-Y14 HydrophobicContact CG2-CD2 4.06Å; I8-Y14 HydrophobicContact CG2-CG 4Å; I8-Q17 CarbonylContact O-C 3.51Å; I8-Q17 WeakPolarHBondContact O-CA 3.48Å; I8-T18 PolarHBondContact N-O 2.96Å; I8-T18 PolarHBondContact O-N 3.18Å; I8-F41 HydrophobicContact CD1-CD2 3.48Å; I8-F41 VanDerWaalsContact CD1-CD2 3.48Å; I8-F41 HydrophobicContact CD1-CE2 3.61Å; I8-F41 HydrophobicContact CD1-CG 4.49Å; I8-A44 HydrophobicContact CD1-CB 3.61Å; I8-A44 HydrophobicContact CG1-CB 4.1Å; I8-A44 HydrophobicContact CG2-CB 4.42Å; I8-V78 HydrophobicContact CG1-CG1 4.32Å; I8-V78 HydrophobicContact CG2-CG2 4.45Å
9Q92.7Very high88.9Confident70 Ų7035.3 Ų35.333%0.32717%0.166SC..EExtended strand (participates in β ladder)trans-140.4133.5172.5-174.7175.3-4.900110.7F11 Q17 A76 Y77Q9-F11 PolarHBondContact O-N 2.91Å; Q9-Q17 HydrophobicContact CB-CB 4.4Å; Q9-Q17 HydrophobicContact CG-CB 4.42Å; Q9-A76 CarbonylContact O-C 3.54Å; Q9-A76 VanDerWaalsContact O-CA 3.25Å; Q9-A76 WeakPolarHBondContact O-CA 3.41Å; Q9-A76 WeakPolarHBondContact O-CB 3.32Å; Q9-Y77 HydrophobicContact CB-CD1 4.14Å; Q9-Y77 HydrophobicContact CB-CE1 3.71Å; Q9-Y77 HydrophobicContact CB-CE2 4.38Å; Q9-Y77 HydrophobicContact CG-CE1 4.22Å; Q9-Y77 PolarHBondContact N-O 3Å; Q9-Y77 PolarHBondContact O-N 3.48Å; Q9-Y77 VanDerWaalsContact OE1-CZ 3.28Å; Q9-Y77 PolarHBondContact OE1-OH 3.08Å
10G91Very high88.1Confident1 Ų133.7 Ų33.71%0.0116%0.159CC..SBendtrans69.310.4175.800000115.6Y14 R15 H66 A76G10-Y14 CarbonylContact C-O 3.52Å; G10-Y14 VanDerWaalsContact CA-O 3.26Å; G10-Y14 WeakPolarHBondContact CA-O 3.43Å; G10-Y14 PolarHBondContact N-O 3.1Å; G10-R15 PolarHBondContact N-O 3.01Å; G10-R15 VanDerWaalsContact N-O 3.1Å; G10-H66 PolarHBondContact O-N 3.43Å; G10-A76 VanDerWaalsContact C-CB 3.45Å; G10-A76 VanDerWaalsContact O-CB 3.23Å; G10-A76 WeakPolarHBondContact O-CB 3.32Å
11F91.9Very high87.7Confident0 Ų037.7 Ų37.70%018%0.178CC..BIsolated β-bridgetrans-98.4118.2-173.1-174.9-94.2000111.5I8 Q9 S13 Y14 N40 Q43 A44 F47 L64 A76 V78I8-F11 HydrophobicContact CG2-CB 3.57Å; I8-F11 HydrophobicContact CG2-CD1 4.44Å; I8-F11 HydrophobicContact CG2-CG 4.33Å; Q9-F11 PolarHBondContact O-N 2.91Å; F11-S13 PolarHBondContact O-N 2.84Å; F11-Y14 PolarHBondContact N-O 2.72Å; F11-Y14 WeakPolarHBondContact O-CA 3.22Å; F11-Y14 WeakPolarHBondContact O-CB 3.33Å; F11-Y14 PolarHBondContact O-N 3.37Å; F11-N40 WeakPolarHBondContact CE1-O 3.47Å; F11-Q43 HydrophobicContact CE1-CB 4.23Å; F11-Q43 HydrophobicContact CZ-CB 4.33Å; F11-A44 HydrophobicContact CD1-CB 3.71Å; F11-A44 HydrophobicContact CE1-CB 3.63Å; F11-A44 HydrophobicContact CG-CB 4.41Å; F11-A44 HydrophobicContact CZ-CB 4.25Å; F11-F47 HydrophobicContact CE2-CB 4.09Å; F11-F47 HydrophobicContact CE2-CD1 4.13Å; F11-F47 HydrophobicContact CE2-CD2 4.45Å; F11-F47 AromaticContact CE2-CG 3.94Å; F11-F47 HydrophobicContact CE2-CG 3.94Å; F11-F47 HydrophobicContact CZ-CB 4.15Å; F11-F47 HydrophobicContact CZ-CG 4.5Å; F11-L64 WeakPolarHBondContact CA-O 3.34Å; F11-L64 HydrophobicContact CE2-CB 4.29Å; F11-L64 HydrophobicContact CE2-CD2 3.99Å; F11-L64 HydrophobicContact CZ-CD2 4.13Å; F11-A76 HydrophobicContact CB-CB 4.34Å; F11-V78 HydrophobicContact CB-CG2 4.42Å; F11-V78 HydrophobicContact CD2-CG2 4.07Å; F11-V78 HydrophobicContact CG-CG2 4.21Å
12R90.3Very high87.9Confident81 Ų8141.2 Ų41.231%0.30619%0.194SC..THydrogen-bonded Turntrans46.7-103.4178.3-66.2-170.6170.7-139.9-4.2114.3N40 Q43 L64 H66R12-N40 HydrophobicContact CB-CB 4.28Å; R12-N40 VanDerWaalsContact CD-OD1 3.29Å; R12-N40 WeakPolarHBondContact CD-OD1 3.41Å; R12-Q43 VanDerWaalsContact CD-OE1 3.28Å; R12-L64 PolarHBondContact N-O 2.83Å; R12-H66 WeakPolarHBondContact O-CA 3.22Å; R12-H66 VanDerWaalsContact O-CB 3.26Å; R12-H66 WeakPolarHBondContact O-CB 3.39Å; R12-H66 VanDerWaalsContact O-CG 3.3Å; R12-H66 PolarHBondContact O-ND1 2.85Å
13S89.7Confident88.1Confident13 Ų1339.1 Ų39.19%0.09119%0.186CC..THydrogen-bonded Turntrans-91-6.6179.159.70000113.9F11 R15 N40 V1188 S1189F11-S13 PolarHBondContact O-N 2.84Å; S13-R15 PolarHBondContact O-N 3.43Å; S13-N40 WeakPolarHBondContact CB-ND2 3.22Å; S13-N40 PolarHBondContact OG-ND2 3.41Å; S13-V1188 WeakPolarHBondContact O-CA 3.05Å; S13-S1189 WeakPolarHBondContact CB-OG 3.49Å; S13-S1189 PolarHBondContact O-N 3.24Å; S13-S1189 WeakPolarHBondContact OG-CB 3.47Å; S13-S1189 PolarHBondContact OG-OG 2.67Å
14Y90.3Very high88Confident0 Ų039.5 Ų39.50%019%0.189CC..BIsolated β-bridgetrans-94.689.2179.1-64.1-75.6000110.8I8 G10 F11 T18 G37 N40 F41 S1189I8-Y14 HydrophobicContact CD1-CD2 4.31Å; I8-Y14 HydrophobicContact CD1-CE2 4.38Å; I8-Y14 HydrophobicContact CG2-CD2 4.06Å; I8-Y14 HydrophobicContact CG2-CG 4Å; G10-Y14 CarbonylContact C-O 3.52Å; G10-Y14 VanDerWaalsContact CA-O 3.26Å; G10-Y14 WeakPolarHBondContact CA-O 3.43Å; G10-Y14 PolarHBondContact N-O 3.1Å; F11-Y14 PolarHBondContact N-O 2.72Å; F11-Y14 WeakPolarHBondContact O-CA 3.22Å; F11-Y14 WeakPolarHBondContact O-CB 3.33Å; F11-Y14 PolarHBondContact O-N 3.37Å; Y14-T18 HydrophobicContact CD1-CG2 4.09Å; Y14-T18 WeakPolarHBondContact CD1-OG1 3.19Å; Y14-T18 HydrophobicContact CE1-CG2 4.3Å; Y14-G37 PolarHBondContact OH-O 2.86Å; Y14-N40 HydrophobicContact CE2-CB 4.1Å; Y14-F41 HydrophobicContact CE2-CB 4.21Å; Y14-F41 HydrophobicContact CE2-CD2 4.49Å; Y14-F41 WeakPolarHBondContact OH-CB 3.41Å; Y14-S1189 VanDerWaalsContact CD1-O 3.26Å; Y14-S1189 WeakPolarHBondContact CD1-O 2.94Å
15R86.5Confident87.9Confident71 Ų7140.4 Ų40.427%0.26820%0.198SC..  trans-71.3-59.4178-170.1-174.472.8-169.5-5.1111.8G10 S13 H66 T69 V1188G10-R15 PolarHBondContact N-O 3.01Å; G10-R15 VanDerWaalsContact N-O 3.1Å; S13-R15 PolarHBondContact O-N 3.43Å; R15-H66 VanDerWaalsContact CG-CD2 3.49Å; R15-H66 WeakPolarHBondContact CG-CD2 3.43Å; R15-T69 PolarHBondContact NH1-O 3.05Å; R15-V1188 HydrophobicContact CB-CG1 4.03Å; R15-V1188 HydrophobicContact CB-CG2 3.92Å
16D84.3Confident87.9Confident68 Ų6840.7 Ų40.736%0.36420%0.2SC..SBendtrans-84.2157.6-173.6-56.4-29.3000109.5T18D16-T18 PolarHBondContact O-N 2.77Å; D16-T18 PolarHBondContact O-OG1 3.29Å
17Q85.4Confident87.9Confident111 Ų11140.7 Ų40.752%0.51920%0.2SC..  trans-60108.2178.9-174.5-179.9-14.300109.3I7 I8 Q9I7-Q17 HydrophobicContact CG2-CG 3.69Å; I8-Q17 CarbonylContact O-C 3.51Å; I8-Q17 WeakPolarHBondContact O-CA 3.48Å; Q9-Q17 HydrophobicContact CB-CB 4.4Å; Q9-Q17 HydrophobicContact CG-CB 4.42Å
18T81.3Confident87.9Confident11 Ų1139.9 Ų39.97%0.06720%0.196CC..BIsolated β-bridgetrans-102.6126.3-178.4-25.60000107.9I8 Y14 D16 I1191I8-T18 PolarHBondContact N-O 2.96Å; I8-T18 PolarHBondContact O-N 3.18Å; Y14-T18 HydrophobicContact CD1-CG2 4.09Å; Y14-T18 WeakPolarHBondContact CD1-OG1 3.19Å; Y14-T18 HydrophobicContact CE1-CG2 4.3Å; D16-T18 PolarHBondContact O-N 2.77Å; D16-T18 PolarHBondContact O-OG1 3.29Å; T18-I1191 HydrophobicContact CG2-CG2 3.58Å
19C79.7Confident87.8Confident59 Ų5939.9 Ų39.940%0.39920%0.196SC..  trans-137.483.5-168.1169.30000107.1K5K5-C19 WeakPolarHBondContact CE-SG 3.44Å; K5-C19 PolarHBondContact NZ-SG 3.01Å
20P73.3Confident87.7Confident3 Ų336.5 Ų36.52%0.01918%0.18CC..PPolyproline II helixtrans-57.5151.6174.120.2-18.9000110V6 F23 F41 Y1180 I1191V6-P20 WeakPolarHBondContact O-CD 3.41Å; P20-F23 HydrophobicContact CG-CE2 4.4Å; P20-F23 HydrophobicContact CG-CZ 4.41Å; P20-F41 HydrophobicContact CG-CE2 4.16Å; P20-F41 HydrophobicContact CG-CZ 4.26Å; P20-Y1180 HydrophobicContact CB-CD1 4.17Å; P20-Y1180 HydrophobicContact CB-CE1 3.92Å; P20-I1191 HydrophobicContact CB-CD1 4.42Å; P20-I1191 HydrophobicContact CB-CG1 4.36Å; P20-I1191 HydrophobicContact CB-CG2 4Å; P20-I1191 HydrophobicContact CG-CG2 4.08Å
21E80.4Confident87.7Confident119 Ų11936.5 Ų36.556%0.55618%0.18SC*.PPolyproline II helixtrans-55.2154.9167.7-78.9-170159.800110.9F23 Y1180 C1193E21-F23 PolarHBondContact O-N 2.89Å; E21-Y1180 PolarHBondContact O-OH 3.31Å; E21-C1193 HydrophobicContact CB-CB 4.37Å; E21-C1193 HydrophobicContact CG-CB 4.33Å; E21-C1193 VanDerWaalsContact OE2-CB 3.24Å; E21-C1193 WeakPolarHBondContact OE2-CB 3.24Å; E21-C1193 PolarHBondContact OE2-SG 3.47Å
22E89Confident87.4Confident98 Ų9836.7 Ų36.746%0.45818%0.182SC..PPolyproline II helixtrans-52.3131.4-177.7-60.1-174.3162.700111.5K4 K1178 Y1180K4-E22 VanDerWaalsContact CE-CD 3.45Å; K4-E22 WeakPolarHBondContact CE-OE1 3.46Å; K4-E22 HydrophobicContact CG-CG 4.43Å; K4-E22 IonicContact NZ-OE1 2.71Å; K4-E22 VanDerWaalsContact O-CA 3.3Å; K4-E22 WeakPolarHBondContact O-CA 3.32Å; E22-K1178 PolarHBondContact O-NZ 2.67Å; E22-Y1180 PolarHBondContact O-OH 3.28Å
23F91.4Very high87.1Confident7 Ų739.2 Ų39.23%0.03119%0.191CC..PPolyproline II helixtrans-66.7150.1177.5-73.3-74.6000111.1I3 K4 V6 P20 E21 N28 F41 Y1180I3-F23 HydrophobicContact CG2-CD2 4.26Å; I3-F23 WeakPolarHBondContact O-CB 3.12Å; K4-F23 PolarHBondContact O-N 3.23Å; V6-F23 HydrophobicContact CG2-CE2 4.02Å; P20-F23 HydrophobicContact CG-CE2 4.4Å; P20-F23 HydrophobicContact CG-CZ 4.41Å; E21-F23 PolarHBondContact O-N 2.89Å; F23-N28 HydrophobicContact CD1-CB 3.88Å; F23-N28 HydrophobicContact CE1-CB 4.38Å; F23-F41 HydrophobicContact CE2-CZ 4.15Å; F23-F41 AromaticContact CZ-CE1 3.86Å; F23-F41 HydrophobicContact CZ-CE1 3.86Å; F23-F41 AromaticContact CZ-CZ 3.64Å; F23-F41 HydrophobicContact CZ-CZ 3.64Å; F23-Y1180 WeakPolarHBondContact CA-OH 3.35Å; F23-Y1180 HydrophobicContact CD1-CD2 4.34Å; F23-Y1180 AromaticContact CD1-CE2 3.5Å; F23-Y1180 HydrophobicContact CD1-CE2 3.5Å; F23-Y1180 VanDerWaalsContact CD1-CE2 3.5Å; F23-Y1180 AromaticContact CD1-CZ 3.66Å; F23-Y1180 AromaticContact CE1-CD2 3.95Å; F23-Y1180 HydrophobicContact CE1-CD2 3.95Å; F23-Y1180 HydrophobicContact CE1-CE1 4.34Å; F23-Y1180 AromaticContact CE1-CE2 3.52Å; F23-Y1180 HydrophobicContact CE1-CE2 3.52Å; F23-Y1180 AromaticContact CE1-CZ 3.72Å
24S90.5Very high86.7Confident9 Ų943.7 Ų43.76%0.06321%0.214CC..PPolyproline II helixtrans-68.9144.2164.2171.80000108.8H26 N28 Q1162 E1177S24-H26 PolarHBondContact O-N 3.45Å; S24-H26 PolarHBondContact OG-N 2.96Å; S24-H26 VanDerWaalsContact OG-N 3.07Å; S24-N28 WeakPolarHBondContact CB-OD1 2.85Å; S24-N28 PolarHBondContact N-OD1 3.33Å; S24-N28 PolarHBondContact O-ND2 3.36Å; S24-Q1162 PolarHBondContact O-NE2 3.44Å; S24-E1177 PolarHBondContact OG-OE2 3.1Å
25P89.1Confident86.2Confident55 Ų5547.1 Ų47.136%0.35725%0.249SC..SBendtrans-64.8-10.1169.628.3-35.6000113.2Y2 Q1162Y2-P25 HydrophobicContact CD1-CB 4.12Å; Y2-P25 HydrophobicContact CD2-CB 4.24Å; Y2-P25 HydrophobicContact CE1-CB 4.3Å; Y2-P25 HydrophobicContact CE2-CB 4.42Å; Y2-P25 HydrophobicContact CG-CB 4.13Å; P25-Q1162 WeakPolarHBondContact O-CA 3.44Å; P25-Q1162 WeakPolarHBondContact O-CB 2.99Å
26H91Very high86.1Confident61 Ų6144 Ų4428%0.28224%0.238SC..SBendtrans-101.2-119.1-177.9-55.5-56.5000111.5S24 K1158 Q1162 F1163 E1177S24-H26 PolarHBondContact O-N 3.45Å; S24-H26 PolarHBondContact OG-N 2.96Å; S24-H26 VanDerWaalsContact OG-N 3.07Å; H26-K1158 WeakPolarHBondContact CA-O 3.32Å; H26-K1158 HydrophobicContact CB-CB 4.14Å; H26-K1158 HydrophobicContact CB-CD 4.25Å; H26-K1158 HydrophobicContact CB-CG 4.15Å; H26-K1158 PolarHBondContact ND1-O 2.61Å; H26-Q1162 CarbonylContact O-C 3.55Å; H26-Q1162 WeakPolarHBondContact O-CA 3.45Å; H26-F1163 PolarHBondContact O-N 3.44Å; H26-E1177 WeakPolarHBondContact CB-OE2 3.4Å; H26-E1177 IonicContact CD2-OE1 2.82Å; H26-E1177 PolarHBondContact CD2-OE1 3.17Å; H26-E1177 VanDerWaalsContact CD2-OE1 3.31Å; H26-E1177 IonicContact CD2-OE2 3.16Å; H26-E1177 PolarHBondContact CD2-OE2 3.32Å; H26-E1177 IonicContact CG-OE1 3.89Å; H26-E1177 IonicContact CG-OE2 3.62Å
27H92Very high86.1Confident0 Ų041.1 Ų41.10%023%0.225CC..EExtended strand (participates in β ladder)trans-105.8122.3-174.6-175.1-157.3000112.3K1158 F1163 T1165 S1175 A1176 E1177 K1178H27-K1158 HydrophobicContact CB-CB 4.17Å; H27-K1158 HydrophobicContact CB-CD 4.26Å; H27-F1163 HydrophobicContact CB-CB 4.42Å; H27-T1165 WeakPolarHBondContact NE2-CG2 3.42Å; H27-T1165 PolarHBondContact NE2-OG1 3.12Å; H27-S1175 PolarHBondContact CE1-OG 3.12Å; H27-S1175 VanDerWaalsContact CE1-OG 3.23Å; H27-S1175 PolarHBondContact ND1-O 2.82Å; H27-S1175 PolarHBondContact ND1-OG 2.55Å; H27-S1175 VanDerWaalsContact ND1-OG 3.08Å; H27-A1176 WeakPolarHBondContact ND1-CA 3.5Å; H27-A1176 PolarHBondContact ND1-N 3.26Å; H27-E1177 PolarHBondContact O-N 3.37Å; H27-K1178 PolarHBondContact O-N 2.87Å
28N92.8Very high86.2Confident0 Ų036.1 Ų36.10%020%0.202CC..EExtended strand (participates in β ladder)trans-118.1129.3179.9-53.5-84000109.4F23 S24 F1163 I1164 T1165 K1178 Y1180F23-N28 HydrophobicContact CD1-CB 3.88Å; F23-N28 HydrophobicContact CE1-CB 4.38Å; S24-N28 WeakPolarHBondContact CB-OD1 2.85Å; S24-N28 PolarHBondContact N-OD1 3.33Å; S24-N28 PolarHBondContact O-ND2 3.36Å; N28-F1163 PolarHBondContact N-O 3.39Å; N28-F1163 PolarHBondContact ND2-O 3.47Å; N28-I1164 HydrophobicContact CB-CG1 4.41Å; N28-I1164 WeakPolarHBondContact O-CA 3.23Å; N28-T1165 PolarHBondContact O-N 3.37Å; N28-K1178 WeakPolarHBondContact CA-O 3.34Å; N28-Y1180 HydrophobicContact CB-CE2 4.19Å
29I91.9Very high86.4Confident0 Ų037 Ų370%021%0.208CC..EExtended strand (participates in β ladder)trans-111.5136.7177.4-76.9176.5000110.3V31 T1165 T1167 L1172 L1173 A1176 K1178 F1179 Y1180I29-V31 HydrophobicContact CG2-CG1 3.66Å; I29-T1165 CarbonylContact C-O 3.6Å; I29-T1165 WeakPolarHBondContact CA-O 3.11Å; I29-T1165 VanDerWaalsContact CG1-OG1 3.32Å; I29-T1165 WeakPolarHBondContact CG1-OG1 3.34Å; I29-T1167 HydrophobicContact CG2-CG2 4.23Å; I29-L1172 HydrophobicContact CD1-CB 4.3Å; I29-L1172 WeakPolarHBondContact CD1-O 3.4Å; I29-L1173 HydrophobicContact CD1-CG 4.3Å; I29-A1176 HydrophobicContact CB-CB 4.09Å; I29-A1176 HydrophobicContact CD1-CB 3.39Å; I29-A1176 HydrophobicContact CG1-CB 3.61Å; I29-K1178 PolarHBondContact N-O 3.47Å; I29-F1179 HydrophobicContact CB-CD1 4.34Å; I29-F1179 CarbonylContact O-C 3.59Å; I29-F1179 WeakPolarHBondContact O-CA 3.49Å; I29-Y1180 PolarHBondContact O-N 3.05Å
30I91Very high86.8Confident0 Ų035.8 Ų35.80%020%0.198CC..EExtended strand (participates in β ladder)trans-112.4107.4174.3-51.8-169.6000108.7K38 F41 F42 I1164 T1165 T1166 Y1180 V1182 I1191I30-K38 HydrophobicContact CG2-CG 4.46Å; I30-F41 HydrophobicContact CD1-CD1 3.36Å; I30-F41 HydrophobicContact CD1-CE1 3.45Å; I30-F41 VanDerWaalsContact CD1-CE1 3.45Å; I30-F41 HydrophobicContact CD1-CG 4.29Å; I30-F41 HydrophobicContact CD1-CZ 4.45Å; I30-F42 HydrophobicContact CD1-CE2 3.99Å; I30-I1164 HydrophobicContact CD1-CG2 3.79Å; I30-I1164 HydrophobicContact CG1-CG2 4.17Å; I30-T1165 PolarHBondContact N-O 3.44Å; I30-T1166 HydrophobicContact CB-CG2 3.99Å; I30-T1166 HydrophobicContact CG2-CG2 4.45Å; I30-T1166 WeakPolarHBondContact O-CA 3.46Å; I30-Y1180 CarbonylContact C-O 3.55Å; I30-Y1180 WeakPolarHBondContact CA-O 3.36Å; I30-V1182 HydrophobicContact CG2-CG2 3.45Å; I30-V1182 VanDerWaalsContact CG2-CG2 3.45Å; I30-I1191 HydrophobicContact CD1-CD1 4.22Å; I30-I1191 HydrophobicContact CG2-CD1 4.37Å
31V89.9Confident87.6Confident1 Ų135.7 Ų35.71%0.00620%0.197CC..EExtended strand (participates in β ladder)trans-107162.7176.9-68.90000111.6I29 L1173 Y1180 G1181 V1182 V1194 A1199 F1202 V1203I29-V31 HydrophobicContact CG2-CG1 3.66Å; V31-L1173 HydrophobicContact CG1-CD2 4.2Å; V31-Y1180 WeakPolarHBondContact CG2-O 3.36Å; V31-Y1180 PolarHBondContact N-O 3.39Å; V31-G1181 CarbonylContact O-C 3.49Å; V31-G1181 WeakPolarHBondContact O-CA 3.5Å; V31-V1182 PolarHBondContact O-N 3.38Å; V31-V1194 HydrophobicContact CG2-CG2 4.44Å; V31-A1199 HydrophobicContact CG2-CB 3.85Å; V31-F1202 HydrophobicContact CB-CB 4.25Å; V31-F1202 HydrophobicContact CG2-CB 4.16Å; V31-F1202 HydrophobicContact CG2-CD2 4.05Å; V31-F1202 HydrophobicContact CG2-CG 4.32Å; V31-V1203 HydrophobicContact CG1-CG2 4.27Å
32G85.7Confident88Confident3 Ų330.5 Ų30.53%0.03117%0.172CC..  trans160.6163.6178.100000110.5K38 F1168G32-K38 PolarHBondContact O-NZ 2.88Å; G32-F1168 WeakPolarHBondContact O-CE1 3.15Å
33R83.1Confident88Confident134 Ų13428 Ų2851%0.50616%0.161SC..  trans-61.5157.8-179.6-64.2-177.6178-173.7-5.1112.4G35 S36 K38 F1202 D1205R33-G35 PolarHBondContact O-N 3.3Å; R33-S36 VanDerWaalsContact O-CB 3.28Å; R33-S36 WeakPolarHBondContact O-CB 3.48Å; R33-S36 PolarHBondContact O-N 3.29Å; R33-S36 VanDerWaalsContact O-N 3.08Å; R33-S36 PolarHBondContact O-OG 3.37Å; R33-S36 VanDerWaalsContact O-OG 3.07Å; R33-K38 PolarHBondContact O-NZ 3.36Å; R33-F1202 HydrophobicContact CG-CD1 4.46Å; R33-D1205 IonicContact CZ-OD2 3.98Å; R33-D1205 IonicContact NH2-OD2 2.91Å; R33-D1205 PolarHBondContact NH2-OD2 2.87Å
34N82Confident87.9Confident108 Ų10827.7 Ų27.758%0.57816%0.159SC*.THydrogen-bonded Turntrans-50.9129.9169.8-83.4-45.9000111.4S36 F1168 D1206N34-S36 VanDerWaalsContact C-N 3.34Å; N34-S36 PolarHBondContact O-N 3.08Å; N34-F1168 WeakPolarHBondContact OD1-CE1 3.47Å; N34-F1168 WeakPolarHBondContact OD1-CE2 3.47Å; N34-F1168 WeakPolarHBondContact OD1-CZ 3.42Å; N34-D1206 PolarHBondContact ND2-OD2 3.03Å; N34-D1206 VanDerWaalsContact ND2-OD2 3.13Å
35G79.6Confident87.9Confident71 Ų7127.2 Ų27.273%0.73216%0.156SC*.THydrogen-bonded Turntrans75.29.3-178.200000116.4R33 G37R33-G35 PolarHBondContact O-N 3.3Å; G35-G37 VanDerWaalsContact C-N 3.26Å; G35-G37 PolarHBondContact O-N 3Å
36S84.2Confident87.7Confident5 Ų524.9 Ų24.94%0.03514%0.14CC..SBendtrans-72.7-12.6-176.469.90000115.5R33 N34 V1182 S1189R33-S36 VanDerWaalsContact O-CB 3.28Å; R33-S36 WeakPolarHBondContact O-CB 3.48Å; R33-S36 PolarHBondContact O-N 3.29Å; R33-S36 VanDerWaalsContact O-N 3.08Å; R33-S36 PolarHBondContact O-OG 3.37Å; R33-S36 VanDerWaalsContact O-OG 3.07Å; N34-S36 VanDerWaalsContact C-N 3.34Å; N34-S36 PolarHBondContact O-N 3.08Å; S36-V1182 VanDerWaalsContact CB-O 3.27Å; S36-V1182 WeakPolarHBondContact CB-O 3.48Å; S36-V1182 WeakPolarHBondContact O-CG1 3.47Å; S36-V1182 PolarHBondContact OG-O 2.65Å; S36-V1182 VanDerWaalsContact OG-O 3.11Å; S36-S1189 PolarHBondContact O-OG 3.29Å
37G84.5Confident87.6Confident8 Ų822 Ų228%0.08213%0.127CC..SBendtrans111.37.3-178.200000115.8Y14 G35 S39 N40 F41Y14-G37 PolarHBondContact OH-O 2.86Å; G35-G37 VanDerWaalsContact C-N 3.26Å; G35-G37 PolarHBondContact O-N 3Å; G37-S39 PolarHBondContact O-N 3.26Å; G37-N40 WeakPolarHBondContact O-CB 3.19Å; G37-N40 PolarHBondContact O-N 3.14Å; G37-N40 VanDerWaalsContact O-N 3.09Å; G37-F41 PolarHBondContact O-N 2.77Å
38K86.8Confident87.5Confident7 Ų722 Ų223%0.0313%0.127CC..Hα-helixtrans-52.2-50.4177.6-56-175.3-63.1-81.90113I30 G32 R33 N40 F41 F42 T1166 V1182I30-K38 HydrophobicContact CG2-CG 4.46Å; G32-K38 PolarHBondContact O-NZ 2.88Å; R33-K38 PolarHBondContact O-NZ 3.36Å; K38-N40 VanDerWaalsContact C-N 3.27Å; K38-N40 PolarHBondContact O-N 3.37Å; K38-F41 WeakPolarHBondContact O-CB 3.36Å; K38-F41 PolarHBondContact O-N 3.38Å; K38-F42 PolarHBondContact O-N 3.04Å; K38-T1166 HydrophobicContact CB-CG2 4.13Å; K38-V1182 HydrophobicContact CG-CB 4.05Å; K38-V1182 HydrophobicContact CG-CG2 4.07Å
39S85.8Confident87.1Confident28 Ų2822.2 Ų22.220%0.19613%0.128CC..Hα-helixtrans-66.4-28.8179.4-44.60000112.7G37 F41 F42 Q43G37-S39 PolarHBondContact O-N 3.26Å; S39-F41 VanDerWaalsContact C-N 3.28Å; S39-F41 PolarHBondContact O-N 3.18Å; S39-F42 PolarHBondContact O-N 3.4Å; S39-Q43 VanDerWaalsContact O-CG 3.27Å; S39-Q43 WeakPolarHBondContact O-CG 3.34Å; S39-Q43 PolarHBondContact O-N 3.44Å
40N89.2Confident86.4Confident35 Ų3522.5 Ų22.519%0.18713%0.13CC..Hα-helixtrans-67.4-31.3173.9-69.9-22.1000111.4F11 R12 S13 Y14 G37 K38 Q43 A44F11-N40 WeakPolarHBondContact CE1-O 3.47Å; R12-N40 HydrophobicContact CB-CB 4.28Å; R12-N40 VanDerWaalsContact CD-OD1 3.29Å; R12-N40 WeakPolarHBondContact CD-OD1 3.41Å; S13-N40 WeakPolarHBondContact CB-ND2 3.22Å; S13-N40 PolarHBondContact OG-ND2 3.41Å; Y14-N40 HydrophobicContact CE2-CB 4.1Å; G37-N40 WeakPolarHBondContact O-CB 3.19Å; G37-N40 PolarHBondContact O-N 3.14Å; G37-N40 VanDerWaalsContact O-N 3.09Å; K38-N40 VanDerWaalsContact C-N 3.27Å; K38-N40 PolarHBondContact O-N 3.37Å; N40-Q43 PolarHBondContact O-N 3.13Å; N40-Q43 PolarHBondContact OD1-OE1 3.29Å; N40-A44 PolarHBondContact O-N 3.01Å
41F89.7Confident85.7Confident0 Ų024.6 Ų24.60%014%0.141CC..Hα-helixtrans-63.5-46.4173.7-171.1-100.2000111.4V6 I8 Y14 P20 F23 I30 G37 K38 S39 Q43 A44 I45 I1191V6-F41 HydrophobicContact CB-CZ 4.23Å; V6-F41 HydrophobicContact CG2-CZ 4.45Å; I8-F41 HydrophobicContact CD1-CD2 3.48Å; I8-F41 VanDerWaalsContact CD1-CD2 3.48Å; I8-F41 HydrophobicContact CD1-CE2 3.61Å; I8-F41 HydrophobicContact CD1-CG 4.49Å; Y14-F41 HydrophobicContact CE2-CB 4.21Å; Y14-F41 HydrophobicContact CE2-CD2 4.49Å; Y14-F41 WeakPolarHBondContact OH-CB 3.41Å; P20-F41 HydrophobicContact CG-CE2 4.16Å; P20-F41 HydrophobicContact CG-CZ 4.26Å; F23-F41 HydrophobicContact CE2-CZ 4.15Å; F23-F41 AromaticContact CZ-CE1 3.86Å; F23-F41 HydrophobicContact CZ-CE1 3.86Å; F23-F41 AromaticContact CZ-CZ 3.64Å; F23-F41 HydrophobicContact CZ-CZ 3.64Å; I30-F41 HydrophobicContact CD1-CD1 3.36Å; I30-F41 HydrophobicContact CD1-CE1 3.45Å; I30-F41 VanDerWaalsContact CD1-CE1 3.45Å; I30-F41 HydrophobicContact CD1-CG 4.29Å; I30-F41 HydrophobicContact CD1-CZ 4.45Å; G37-F41 PolarHBondContact O-N 2.77Å; K38-F41 WeakPolarHBondContact O-CB 3.36Å; K38-F41 PolarHBondContact O-N 3.38Å; S39-F41 VanDerWaalsContact C-N 3.28Å; S39-F41 PolarHBondContact O-N 3.18Å; F41-Q43 VanDerWaalsContact C-N 3.33Å; F41-Q43 PolarHBondContact O-N 3.47Å; F41-A44 WeakPolarHBondContact O-CB 3.09Å; F41-A44 PolarHBondContact O-N 3.49Å; F41-A44 VanDerWaalsContact O-N 3.14Å; F41-I45 HydrophobicContact CD1-CD1 4.03Å; F41-I45 HydrophobicContact CE1-CD1 3.53Å; F41-I45 HydrophobicContact CE1-CG1 4.38Å; F41-I45 HydrophobicContact CZ-CD1 4.16Å; F41-I45 PolarHBondContact O-N 3.16Å; F41-I1191 HydrophobicContact CD2-CD1 4.03Å; F41-I1191 HydrophobicContact CE2-CD1 3.94Å; F41-I1191 HydrophobicContact CG-CD1 4.39Å; F41-I1191 HydrophobicContact CZ-CD1 4.22Å
42F88.9Confident85Confident10 Ų1029.4 Ų29.44%0.04416%0.164CC..Hα-helixtrans-63.3-40.8177.3-84.3-116.9000111.7I30 K38 S39 A44 I45 Q46 L1134 D1136 I1164 T1166I30-F42 HydrophobicContact CD1-CE2 3.99Å; K38-F42 PolarHBondContact O-N 3.04Å; S39-F42 PolarHBondContact O-N 3.4Å; F42-A44 VanDerWaalsContact C-N 3.3Å; F42-A44 PolarHBondContact O-N 3.33Å; F42-I45 PolarHBondContact O-N 3.34Å; F42-Q46 WeakPolarHBondContact O-CB 3.24Å; F42-Q46 PolarHBondContact O-N 2.79Å; F42-L1134 HydrophobicContact CD1-CB 3.84Å; F42-L1134 HydrophobicContact CE1-CB 3.76Å; F42-D1136 HydrophobicContact CD1-CB 4.04Å; F42-D1136 HydrophobicContact CE1-CB 4.27Å; F42-I1164 HydrophobicContact CE2-CG2 4.29Å; F42-I1164 HydrophobicContact CZ-CG2 3.98Å; F42-I1164 WeakPolarHBondContact CZ-O 3.25Å; F42-T1166 HydrophobicContact CD2-CG2 4.01Å; F42-T1166 HydrophobicContact CE2-CG2 3.28Å; F42-T1166 HydrophobicContact CZ-CG2 3.69Å
43Q88.3Confident84.7Confident46 Ų4630.2 Ų30.222%0.21517%0.166CC..Hα-helixtrans-64-33.2174.3-72.2165.6-1.700112.7F11 R12 S39 N40 F41 Q46 F47F11-Q43 HydrophobicContact CE1-CB 4.23Å; F11-Q43 HydrophobicContact CZ-CB 4.33Å; R12-Q43 VanDerWaalsContact CD-OE1 3.28Å; S39-Q43 VanDerWaalsContact O-CG 3.27Å; S39-Q43 WeakPolarHBondContact O-CG 3.34Å; S39-Q43 PolarHBondContact O-N 3.44Å; N40-Q43 PolarHBondContact O-N 3.13Å; N40-Q43 PolarHBondContact OD1-OE1 3.29Å; F41-Q43 VanDerWaalsContact C-N 3.33Å; F41-Q43 PolarHBondContact O-N 3.47Å; Q43-Q46 PolarHBondContact O-N 2.87Å; Q43-F47 WeakPolarHBondContact O-CB 3.1Å; Q43-F47 PolarHBondContact O-N 3.04Å
44A90.2Very high84.3Confident0 Ų024.7 Ų24.70%015%0.148CC..Hα-helixtrans-65.1-43.917500000111.4I8 F11 N40 F41 F42 F47 V48 V78I8-A44 HydrophobicContact CD1-CB 3.61Å; I8-A44 HydrophobicContact CG1-CB 4.1Å; I8-A44 HydrophobicContact CG2-CB 4.42Å; F11-A44 HydrophobicContact CD1-CB 3.71Å; F11-A44 HydrophobicContact CE1-CB 3.63Å; F11-A44 HydrophobicContact CG-CB 4.41Å; F11-A44 HydrophobicContact CZ-CB 4.25Å; N40-A44 PolarHBondContact O-N 3.01Å; F41-A44 WeakPolarHBondContact O-CB 3.09Å; F41-A44 PolarHBondContact O-N 3.49Å; F41-A44 VanDerWaalsContact O-N 3.14Å; F42-A44 VanDerWaalsContact C-N 3.3Å; F42-A44 PolarHBondContact O-N 3.33Å; A44-F47 WeakPolarHBondContact O-CB 3.23Å; A44-F47 PolarHBondContact O-N 3.31Å; A44-V48 PolarHBondContact O-N 3.44Å; A44-V78 HydrophobicContact CB-CG1 4.23Å; A44-V78 HydrophobicContact CB-CG2 4.01Å
45I89.1Confident84.1Confident0 Ų027.3 Ų27.30%016%0.157CC..Hα-helixtrans-63.2-47.3174.6-63.8175000110.1I3 V6 F41 F42 F47 V48 L49 M80 L1134I3-I45 HydrophobicContact CD1-CG2 4.23Å; V6-I45 HydrophobicContact CG1-CG1 4.26Å; V6-I45 HydrophobicContact CG2-CD1 4.24Å; V6-I45 HydrophobicContact CG2-CG1 4.12Å; F41-I45 HydrophobicContact CD1-CD1 4.03Å; F41-I45 HydrophobicContact CE1-CD1 3.53Å; F41-I45 HydrophobicContact CE1-CG1 4.38Å; F41-I45 HydrophobicContact CZ-CD1 4.16Å; F41-I45 PolarHBondContact O-N 3.16Å; F42-I45 PolarHBondContact O-N 3.34Å; I45-F47 VanDerWaalsContact C-N 3.25Å; I45-F47 PolarHBondContact O-N 2.94Å; I45-V48 PolarHBondContact O-N 2.99Å; I45-L49 HydrophobicContact CG2-CD1 3.66Å; I45-L49 PolarHBondContact O-N 3.35Å; I45-M80 HydrophobicContact CG2-CE 3.82Å; I45-M80 HydrophobicContact CG2-SD 4.14Å; I45-L1134 HydrophobicContact CB-CD1 4.03Å; I45-L1134 HydrophobicContact CD1-CD2 4.2Å; I45-L1134 HydrophobicContact CG2-CD1 3.42Å; I45-L1134 VanDerWaalsContact CG2-CD1 3.42Å; I45-L1134 HydrophobicContact CG2-CD2 4.35Å; I45-L1134 HydrophobicContact CG2-CG 4.49Å
46Q86.4Confident84.2Confident5 Ų525 Ų252%0.02313%0.128CC..Hα-helixtrans-60.8-36.9178-163.1-163.53.800112F42 Q43 V48 L49 S50 E52 Y53 I138 K140F42-Q46 WeakPolarHBondContact O-CB 3.24Å; F42-Q46 PolarHBondContact O-N 2.79Å; Q43-Q46 PolarHBondContact O-N 2.87Å; Q46-V48 PolarHBondContact O-N 3.1Å; Q46-L49 PolarHBondContact O-N 3.44Å; Q46-S50 WeakPolarHBondContact O-CB 3.24Å; Q46-S50 PolarHBondContact O-N 2.62Å; Q46-E52 PolarHBondContact NE2-OE2 3.02Å; Q46-Y53 HydrophobicContact CB-CE2 4.04Å; Q46-Y53 HydrophobicContact CG-CE2 3.84Å; Q46-Y53 PolarHBondContact OE1-OH 3.13Å; Q46-I138 HydrophobicContact CB-CD1 4.41Å; Q46-I138 HydrophobicContact CG-CD1 3.91Å; Q46-I138 HydrophobicContact CG-CG2 4.25Å; Q46-K140 VanDerWaalsContact CD-CE 3.44Å
47F89.2Confident84.2Confident0 Ų027.4 Ų27.40%014%0.144CC..Hα-helixtrans-60.3-33179169-103.5000112.4F11 Q43 A44 I45 Y53 L64 V78 R100 I102F11-F47 HydrophobicContact CE2-CB 4.09Å; F11-F47 HydrophobicContact CE2-CD1 4.13Å; F11-F47 HydrophobicContact CE2-CD2 4.45Å; F11-F47 AromaticContact CE2-CG 3.94Å; F11-F47 HydrophobicContact CE2-CG 3.94Å; F11-F47 HydrophobicContact CZ-CB 4.15Å; F11-F47 HydrophobicContact CZ-CG 4.5Å; Q43-F47 WeakPolarHBondContact O-CB 3.1Å; Q43-F47 PolarHBondContact O-N 3.04Å; A44-F47 WeakPolarHBondContact O-CB 3.23Å; A44-F47 PolarHBondContact O-N 3.31Å; I45-F47 VanDerWaalsContact C-N 3.25Å; I45-F47 PolarHBondContact O-N 2.94Å; F47-Y53 HydrophobicContact CB-CD2 4.31Å; F47-Y53 HydrophobicContact CB-CE2 4.36Å; F47-Y53 HydrophobicContact CD2-CD1 4.13Å; F47-Y53 HydrophobicContact CD2-CD2 4.46Å; F47-Y53 AromaticContact CD2-CG 3.93Å; F47-Y53 HydrophobicContact CD2-CG 3.93Å; F47-L64 HydrophobicContact CD2-CD1 4.04Å; F47-L64 HydrophobicContact CE2-CD1 3.99Å; F47-V78 HydrophobicContact CD1-CB 4.23Å; F47-V78 HydrophobicContact CD1-CG2 3.88Å; F47-V78 HydrophobicContact CE1-CG2 4.41Å; F47-R100 HydrophobicContact CD1-CB 4.49Å; F47-R100 HydrophobicContact CE1-CB 3.8Å; F47-R100 HydrophobicContact CE1-CG 3.65Å; F47-R100 HydrophobicContact CZ-CB 4.28Å; F47-R100 HydrophobicContact CZ-CG 3.59Å; F47-R100 VanDerWaalsContact O-CD 3.29Å; F47-R100 WeakPolarHBondContact O-CD 3.49Å; F47-R100 PolarHBondContact O-NH1 2.87Å; F47-I102 HydrophobicContact CE1-CB 4.47Å; F47-I102 HydrophobicContact CE1-CG2 4.28Å; F47-I102 HydrophobicContact CE2-CB 4.35Å; F47-I102 HydrophobicContact CZ-CB 3.7Å; F47-I102 HydrophobicContact CZ-CG1 4.35Å; F47-I102 HydrophobicContact CZ-CG2 3.87Å
48V88.3Confident84.2Confident0 Ų032.6 Ų32.60%017%0.17CC..Hα-helixtrans-78.2-39.2176.9179.20000111.8A44 I45 Q46 V78 M80 L98 R100A44-V48 PolarHBondContact O-N 3.44Å; I45-V48 PolarHBondContact O-N 2.99Å; Q46-V48 PolarHBondContact O-N 3.1Å; V48-V78 HydrophobicContact CG2-CB 3.55Å; V48-V78 HydrophobicContact CG2-CG1 3.5Å; V48-V78 VanDerWaalsContact CG2-CG1 3.5Å; V48-M80 HydrophobicContact CB-CG 4.24Å; V48-M80 HydrophobicContact CB-SD 3.73Å; V48-M80 HydrophobicContact CG1-CG 4.15Å; V48-M80 HydrophobicContact CG1-SD 3.87Å; V48-M80 HydrophobicContact CG2-CG 4.18Å; V48-M80 HydrophobicContact CG2-SD 4.22Å; V48-L98 HydrophobicContact CG1-CD2 3.64Å; V48-L98 HydrophobicContact CG1-CG 3.82Å; V48-R100 HydrophobicContact CG2-CB 4.29Å
49L84.3Confident84Confident5 Ų539.5 Ų39.53%0.02620%0.202CC..Hα-helixtrans-97.5-26.1-165.3-68.7159.8000115.1I45 Q46 M80 F82 L125 F130 F1132I45-L49 HydrophobicContact CG2-CD1 3.66Å; I45-L49 PolarHBondContact O-N 3.35Å; Q46-L49 PolarHBondContact O-N 3.44Å; L49-M80 HydrophobicContact CD1-CE 3.8Å; L49-M80 HydrophobicContact CD1-SD 3.78Å; L49-M80 HydrophobicContact CD2-SD 4.48Å; L49-M80 HydrophobicContact CG-CE 4.47Å; L49-M80 HydrophobicContact CG-SD 3.92Å; L49-F82 HydrophobicContact CD2-CZ 3.92Å; L49-L125 HydrophobicContact CD2-CD2 3.96Å; L49-F130 HydrophobicContact CD2-CZ 4.47Å; L49-F1132 HydrophobicContact CD1-CE1 4.3Å; L49-F1132 HydrophobicContact CD1-CE2 3.8Å; L49-F1132 HydrophobicContact CD1-CZ 3.29Å; L49-F1132 HydrophobicContact CD2-CZ 4.35Å; L49-F1132 HydrophobicContact CG-CZ 4.4Å
50S78.2Confident84Confident6 Ų642.5 Ų42.54%0.04221%0.213CC..  trans-101.8142.1-170.5-173.20000112.4Q46 E52Q46-S50 WeakPolarHBondContact O-CB 3.24Å; Q46-S50 PolarHBondContact O-N 2.62Å; S50-E52 VanDerWaalsContact C-N 3.25Å; S50-E52 PolarHBondContact O-N 2.83Å; S50-E52 PolarHBondContact OG-N 3.42Å
51D75.2Confident84Confident44 Ų4443.3 Ų43.324%0.23521%0.214CC..G310 helixtrans-75.5-9.7175-158.227.7000113.5Y53 S54 K118 M122 R132D51-Y53 PolarHBondContact O-N 3.41Å; D51-Y53 VanDerWaalsContact O-N 3.13Å; D51-S54 VanDerWaalsContact O-CB 3.24Å; D51-S54 WeakPolarHBondContact O-CB 3.27Å; D51-S54 PolarHBondContact O-N 3.01Å; D51-S54 PolarHBondContact O-OG 3.48Å; D51-S54 WeakPolarHBondContact OD1-CB 3.39Å; D51-S54 PolarHBondContact OD1-OG 3.28Å; D51-K118 WeakPolarHBondContact OD1-CE 3.25Å; D51-K118 IonicContact OD1-NZ 2.77Å; D51-K118 PolarHBondContact OD1-NZ 3.18Å; D51-K118 IonicContact OD2-NZ 3.63Å; D51-M122 HydrophobicContact CB-CE 3.83Å; D51-M122 HydrophobicContact CB-SD 4.43Å; D51-M122 WeakPolarHBondContact OD1-CE 3.41Å; D51-R132 VanDerWaalsContact CB-O 3.31Å; D51-R132 WeakPolarHBondContact CB-O 3.31Å
52E75.9Confident83.8Confident103 Ų10344.9 Ų44.948%0.48122%0.221SC..G310 helixtrans-58.3-29.4179-167.3-179.7179.100112.1Q46 S50 S54 K140Q46-E52 PolarHBondContact NE2-OE2 3.02Å; S50-E52 VanDerWaalsContact C-N 3.25Å; S50-E52 PolarHBondContact O-N 2.83Å; S50-E52 PolarHBondContact OG-N 3.42Å; E52-S54 VanDerWaalsContact C-N 3.29Å; E52-S54 PolarHBondContact O-N 3.17Å; E52-K140 IonicContact OE1-NZ 2.72Å; E52-K140 PolarHBondContact OE1-NZ 2.97Å; E52-K140 WeakPolarHBondContact OE2-CE 3.33Å; E52-K140 IonicContact OE2-NZ 3.72Å; E52-K140 PolarHBondContact OE2-NZ 3.22Å
53Y79.4Confident83.8Confident19 Ų1949 Ų498%0.07524%0.244CC..G310 helixtrans-88.914.1178.6-64.8-83.1000113.4Q46 F47 D51 L56 L64 R100Q46-Y53 HydrophobicContact CB-CE2 4.04Å; Q46-Y53 HydrophobicContact CG-CE2 3.84Å; Q46-Y53 PolarHBondContact OE1-OH 3.13Å; F47-Y53 HydrophobicContact CB-CD2 4.31Å; F47-Y53 HydrophobicContact CB-CE2 4.36Å; F47-Y53 HydrophobicContact CD2-CD1 4.13Å; F47-Y53 HydrophobicContact CD2-CD2 4.46Å; F47-Y53 AromaticContact CD2-CG 3.93Å; F47-Y53 HydrophobicContact CD2-CG 3.93Å; D51-Y53 PolarHBondContact O-N 3.41Å; D51-Y53 VanDerWaalsContact O-N 3.13Å; Y53-L56 HydrophobicContact CD1-CD1 4.19Å; Y53-L56 HydrophobicContact CD1-CD2 4.07Å; Y53-L56 WeakPolarHBondContact O-CD1 3.5Å; Y53-L56 WeakPolarHBondContact O-CG 3.45Å; Y53-L64 HydrophobicContact CD1-CD1 4.32Å; Y53-L64 HydrophobicContact CE1-CD2 4.29Å; Y53-R100 PolarHBondContact O-NH2 2.77Å
54S74.2Confident83.9Confident19 Ų1946.9 Ų46.913%0.13323%0.234CC..G310 helixtrans-86.6-27.718065.30000114D51 E52 K118D51-S54 VanDerWaalsContact O-CB 3.24Å; D51-S54 WeakPolarHBondContact O-CB 3.27Å; D51-S54 PolarHBondContact O-N 3.01Å; D51-S54 PolarHBondContact O-OG 3.48Å; D51-S54 WeakPolarHBondContact OD1-CB 3.39Å; D51-S54 PolarHBondContact OD1-OG 3.28Å; E52-S54 VanDerWaalsContact C-N 3.29Å; E52-S54 PolarHBondContact O-N 3.17Å; S54-K118 PolarHBondContact OG-NZ 3.44Å
55H77.7Confident83.9Confident162 Ų16247.1 Ų47.175%0.7524%0.235SC*.SBendtrans-101.338.2-179.1-60.1-68000112.5
56L81.8Confident83.8Confident24 Ų2447.8 Ų47.813%0.12624%0.238CC..  trans-76.8126.2-179.6-63.9166.3000111.7Y53 E60 R61 L64Y53-L56 HydrophobicContact CD1-CD1 4.19Å; Y53-L56 HydrophobicContact CD1-CD2 4.07Å; Y53-L56 WeakPolarHBondContact O-CD1 3.5Å; Y53-L56 WeakPolarHBondContact O-CG 3.45Å; L56-E60 HydrophobicContact CB-CB 4.26Å; L56-E60 HydrophobicContact CD2-CB 3.82Å; L56-R61 HydrophobicContact CB-CG 3.74Å; L56-R61 HydrophobicContact CD1-CG 4.33Å; L56-R61 PolarHBondContact O-NE 2.9Å; L56-R61 VanDerWaalsContact O-NE 3.11Å; L56-L64 HydrophobicContact CD1-CD1 3.57Å
57S85.4Confident83.7Confident54 Ų5454.3 Ų54.338%0.37827%0.268SS..  trans-63.7162.6166.366.50000111.9Q59 E60 R61S57-Q59 VanDerWaalsContact C-N 3.25Å; S57-Q59 PolarHBondContact O-N 3.43Å; S57-E60 WeakPolarHBondContact CB-OE2 3.49Å; S57-E60 PolarHBondContact N-OE2 2.94Å; S57-E60 PolarHBondContact O-N 3.06Å; S57-E60 VanDerWaalsContact O-N 3.14Å; S57-E60 WeakPolarHBondContact OG-CB 3.41Å; S57-E60 VanDerWaalsContact OG-CD 3.23Å; S57-E60 WeakPolarHBondContact OG-CG 3.5Å; S57-E60 PolarHBondContact OG-N 3.44Å; S57-E60 PolarHBondContact OG-OE2 3.33Å; S57-R61 WeakPolarHBondContact O-CG 3.28Å; S57-R61 PolarHBondContact O-N 3.37Å
58N83.2Confident83Confident117 Ų11756 Ų5663%0.62629%0.286SS*.Hα-helixtrans-58.7-36.6178.6-73.7-15.4000112.7Q62N58-Q62 PolarHBondContact O-N 3.4Å; N58-Q62 VanDerWaalsContact O-N 3.11Å
59Q84.5Confident82.3Confident153 Ų15359.7 Ų59.772%0.71531%0.309SS*.Hα-helixtrans-67.1-44.7175.4-74.1179.5-6.500111.4S57 R61 Q62 N63S57-Q59 VanDerWaalsContact C-N 3.25Å; S57-Q59 PolarHBondContact O-N 3.43Å; Q59-R61 VanDerWaalsContact C-N 3.31Å; Q59-R61 PolarHBondContact O-N 2.83Å; Q59-Q62 WeakPolarHBondContact O-CB 3.33Å; Q59-Q62 PolarHBondContact O-N 2.87Å; Q59-Q62 VanDerWaalsContact O-N 3.16Å; Q59-N63 PolarHBondContact O-N 3.09Å; Q59-N63 PolarHBondContact O-ND2 3.17Å; Q59-N63 PolarHBondContact O-OD1 3.34Å
60E85.8Confident82Confident91 Ų9162 Ų6243%0.42533%0.333SS..Hα-helixtrans-64.3-36.6178-69.8164.8140.200112.3L56 S57 Q62 N63 L64L56-E60 HydrophobicContact CB-CB 4.26Å; L56-E60 HydrophobicContact CD2-CB 3.82Å; S57-E60 WeakPolarHBondContact CB-OE2 3.49Å; S57-E60 PolarHBondContact N-OE2 2.94Å; S57-E60 PolarHBondContact O-N 3.06Å; S57-E60 VanDerWaalsContact O-N 3.14Å; S57-E60 WeakPolarHBondContact OG-CB 3.41Å; S57-E60 VanDerWaalsContact OG-CD 3.23Å; S57-E60 WeakPolarHBondContact OG-CG 3.5Å; S57-E60 PolarHBondContact OG-N 3.44Å; S57-E60 PolarHBondContact OG-OE2 3.33Å; E60-Q62 VanDerWaalsContact C-N 3.34Å; E60-N63 PolarHBondContact O-N 2.85Å; E60-L64 PolarHBondContact O-N 2.65Å
61R88.4Confident82Confident51 Ų5167.3 Ų67.319%0.19237%0.368CS..Hα-helixtrans-62.7-41.8173-67.6177-172.5-156.8-5.1111.8L56 S57 Q59 N63 L64 I102L56-R61 HydrophobicContact CB-CG 3.74Å; L56-R61 HydrophobicContact CD1-CG 4.33Å; L56-R61 PolarHBondContact O-NE 2.9Å; L56-R61 VanDerWaalsContact O-NE 3.11Å; S57-R61 WeakPolarHBondContact O-CG 3.28Å; S57-R61 PolarHBondContact O-N 3.37Å; Q59-R61 VanDerWaalsContact C-N 3.31Å; Q59-R61 PolarHBondContact O-N 2.83Å; R61-N63 VanDerWaalsContact C-N 3.31Å; R61-N63 PolarHBondContact O-N 3.28Å; R61-L64 PolarHBondContact O-N 2.89Å; R61-I102 HydrophobicContact CG-CD1 4.21Å
62Q86.3Confident82.4Confident34 Ų3473.7 Ų73.716%0.15939%0.388CS..Hα-helixtrans-63.3-40.1176.6-167.364.224.200111.1N58 Q59 E60 L64 L65 R72 S104N58-Q62 PolarHBondContact O-N 3.4Å; N58-Q62 VanDerWaalsContact O-N 3.11Å; Q59-Q62 WeakPolarHBondContact O-CB 3.33Å; Q59-Q62 PolarHBondContact O-N 2.87Å; Q59-Q62 VanDerWaalsContact O-N 3.16Å; E60-Q62 VanDerWaalsContact C-N 3.34Å; Q62-L64 PolarHBondContact O-N 3.34Å; Q62-L65 WeakPolarHBondContact O-CB 3.42Å; Q62-L65 PolarHBondContact O-N 3.44Å; Q62-R72 VanDerWaalsContact NE2-NH2 3.19Å; Q62-S104 PolarHBondContact OE1-OG 3.43Å
63N87.6Confident82.9Confident96 Ų9670 Ų7051%0.51337%0.373SS..Hα-helixtrans-66.5-15.5178.1-65.2-15.2000114.2Q59 E60 R61Q59-N63 PolarHBondContact O-N 3.09Å; Q59-N63 PolarHBondContact O-ND2 3.17Å; Q59-N63 PolarHBondContact O-OD1 3.34Å; E60-N63 PolarHBondContact O-N 2.85Å; R61-N63 VanDerWaalsContact C-N 3.31Å; R61-N63 PolarHBondContact O-N 3.28Å
64L90.4Very high83.3Confident2 Ų275.5 Ų75.51%0.0140%0.402CS..Hα-helixtrans-81.4-20.6172.7-66.6178.3000112.5F11 R12 F47 Y53 L56 E60 R61 Q62F11-L64 WeakPolarHBondContact CA-O 3.34Å; F11-L64 HydrophobicContact CE2-CB 4.29Å; F11-L64 HydrophobicContact CE2-CD2 3.99Å; F11-L64 HydrophobicContact CZ-CD2 4.13Å; R12-L64 PolarHBondContact N-O 2.83Å; F47-L64 HydrophobicContact CD2-CD1 4.04Å; F47-L64 HydrophobicContact CE2-CD1 3.99Å; Y53-L64 HydrophobicContact CD1-CD1 4.32Å; Y53-L64 HydrophobicContact CE1-CD2 4.29Å; L56-L64 HydrophobicContact CD1-CD1 3.57Å; E60-L64 PolarHBondContact O-N 2.65Å; R61-L64 PolarHBondContact O-N 2.89Å; Q62-L64 PolarHBondContact O-N 3.34Å
65L90.3Very high84.1Confident4 Ų477.7 Ų77.72%0.02142%0.417CS..BIsolated β-bridgetrans-78.1147.4176.7-55.6178.1000110Q62 E67 A76 I102Q62-L65 WeakPolarHBondContact O-CB 3.42Å; Q62-L65 PolarHBondContact O-N 3.44Å; L65-E67 PolarHBondContact O-N 3.24Å; L65-A76 HydrophobicContact CD2-CB 3.65Å; L65-I102 HydrophobicContact CD2-CG2 4.35Å
66H88.3Confident84.9Confident14 Ų1470 Ų707%0.06538%0.382CS..  trans-67.2121.5179.4174.776.1000112.4G10 R12 R15 G68 V73 K1187G10-H66 PolarHBondContact O-N 3.43Å; R12-H66 WeakPolarHBondContact O-CA 3.22Å; R12-H66 VanDerWaalsContact O-CB 3.26Å; R12-H66 WeakPolarHBondContact O-CB 3.39Å; R12-H66 VanDerWaalsContact O-CG 3.3Å; R12-H66 PolarHBondContact O-ND1 2.85Å; R15-H66 VanDerWaalsContact CG-CD2 3.49Å; R15-H66 WeakPolarHBondContact CG-CD2 3.43Å; H66-G68 WeakPolarHBondContact NE2-CA 3.47Å; H66-V73 HydrophobicContact CB-CG2 4.13Å; H66-K1187 PolarHBondContact CE1-O 3.3Å
67E83.6Confident85.4Confident142 Ų14270.6 Ų70.666%0.66438%0.383SS*.  trans-107.197.2172.1-63.9-171.116500109.6L65L65-E67 PolarHBondContact O-N 3.24Å
68G75Confident85.9Confident35 Ų3568 Ų6836%0.36137%0.365SS..SBendtrans-152.6-166.6-178.800000112.7H66H66-G68 WeakPolarHBondContact NE2-CA 3.47Å
69T73.1Confident86.4Confident79 Ų7963.3 Ų63.349%0.48534%0.339SS..SBendtrans-80.9122.5178.846.10000110.6R15 K1187R15-T69 PolarHBondContact NH1-O 3.05Å; T69-K1187 HydrophobicContact CG2-CD 4.33Å
70G77.2Confident86.8Confident53 Ų5356 Ų5655%0.54631%0.305SS..SBendtrans140.1-170.1-178.400000112.5
71P79.5Confident87.1Confident117 Ų11753.2 Ų53.276%0.7629%0.292SS*.SBendtrans-62.8141.1172.126.9-33.1000110.8V73P71-V73 PolarHBondContact O-N 3.28Å
72R83.3Confident87.2Confident178 Ų17850.8 Ų50.867%0.67228%0.283SS*.PPolyproline II helixtrans-62.2125.6179.2-171.3176.4179.5-178.4-1110Q62 I74Q62-R72 VanDerWaalsContact NE2-NH2 3.19Å; R72-I74 PolarHBondContact O-N 3.37Å
73V86Confident87.5Confident25 Ų2550.4 Ų50.415%0.15228%0.282CS..PPolyproline II helixtrans-74.4118.9177.2178.90000109.1H66 P71 S75H66-V73 HydrophobicContact CB-CG2 4.13Å; P71-V73 PolarHBondContact O-N 3.28Å; V73-S75 VanDerWaalsContact CG1-O 3.27Å; V73-S75 WeakPolarHBondContact CG1-O 3.48Å
74I88.1Confident87.5Confident135 Ų13545.8 Ų45.869%0.69226%0.258SS*.SBendtrans-85-34.4-179-58.4173.1000111.4R72R72-I74 PolarHBondContact O-N 3.37Å
75S91.6Very high87.3Confident65 Ų6549.3 Ų49.346%0.45528%0.282SS..EExtended strand (participates in β ladder)trans-142.6138.5-179.958.10000109.9V73 I102V73-S75 VanDerWaalsContact CG1-O 3.27Å; V73-S75 WeakPolarHBondContact CG1-O 3.48Å; S75-I102 CarbonylContact C-O 3.6Å; S75-I102 VanDerWaalsContact CA-O 3.25Å; S75-I102 WeakPolarHBondContact CA-O 3.25Å
76A92.7Very high86.9Confident0 Ų052.7 Ų52.70%030%0.3CS..EExtended strand (participates in β ladder)trans-106.6154.4168.100000109.1Q9 G10 F11 L65 I102Q9-A76 CarbonylContact O-C 3.54Å; Q9-A76 VanDerWaalsContact O-CA 3.25Å; Q9-A76 WeakPolarHBondContact O-CA 3.41Å; Q9-A76 WeakPolarHBondContact O-CB 3.32Å; G10-A76 VanDerWaalsContact C-CB 3.45Å; G10-A76 VanDerWaalsContact O-CB 3.23Å; G10-A76 WeakPolarHBondContact O-CB 3.32Å; F11-A76 HydrophobicContact CB-CB 4.34Å; L65-A76 HydrophobicContact CD2-CB 3.65Å; A76-I102 HydrophobicContact CB-CG2 3.83Å; A76-I102 PolarHBondContact N-O 3.28Å; A76-I102 PolarHBondContact O-N 3.12Å; A76-I102 VanDerWaalsContact O-O 3.1Å
77Y93.8Very high86.7Confident38 Ų3857 Ų5715%0.14932%0.324CS..EExtended strand (participates in β ladder)trans-140.6151.6165.871.5-97.1000110.8I7 Q9 E79 R99 R100I7-Y77 HydrophobicContact CG2-CE2 4.04Å; Q9-Y77 HydrophobicContact CB-CD1 4.14Å; Q9-Y77 HydrophobicContact CB-CE1 3.71Å; Q9-Y77 HydrophobicContact CB-CE2 4.38Å; Q9-Y77 HydrophobicContact CG-CE1 4.22Å; Q9-Y77 PolarHBondContact N-O 3Å; Q9-Y77 PolarHBondContact O-N 3.48Å; Q9-Y77 VanDerWaalsContact OE1-CZ 3.28Å; Q9-Y77 PolarHBondContact OE1-OH 3.08Å; Y77-E79 HydrophobicContact CD2-CB 4.34Å; Y77-E79 HydrophobicContact CE2-CB 4.45Å; Y77-R99 HydrophobicContact CD2-CG 4.15Å; Y77-R100 WeakPolarHBondContact CA-O 3.22Å
78V94.5Very high86.7Confident0 Ų054.4 Ų54.40%031%0.308CS..EExtended strand (participates in β ladder)trans-124.8126.8169.6-174.30000107.2V6 I7 I8 F11 A44 F47 V48 R99 R100V6-V78 HydrophobicContact CG1-CG1 4.12Å; I7-V78 WeakPolarHBondContact O-CA 3.36Å; I8-V78 HydrophobicContact CG1-CG1 4.32Å; I8-V78 HydrophobicContact CG2-CG2 4.45Å; F11-V78 HydrophobicContact CB-CG2 4.42Å; F11-V78 HydrophobicContact CD2-CG2 4.07Å; F11-V78 HydrophobicContact CG-CG2 4.21Å; A44-V78 HydrophobicContact CB-CG1 4.23Å; A44-V78 HydrophobicContact CB-CG2 4.01Å; F47-V78 HydrophobicContact CD1-CB 4.23Å; F47-V78 HydrophobicContact CD1-CG2 3.88Å; F47-V78 HydrophobicContact CE1-CG2 4.41Å; V48-V78 HydrophobicContact CG2-CB 3.55Å; V48-V78 HydrophobicContact CG2-CG1 3.5Å; V48-V78 VanDerWaalsContact CG2-CG1 3.5Å; V78-R99 CarbonylContact O-C 3.37Å; V78-R99 WeakPolarHBondContact O-CA 3.45Å; V78-R100 PolarHBondContact N-O 3.27Å; V78-R100 PolarHBondContact O-N 3.33Å
79E94.6Very high87Confident17 Ų1752.8 Ų52.88%0.07929%0.291CS..EExtended strand (participates in β ladder)trans-121.1123.9178.6174.5173.4-159.700109.7V6 I7 Y77 L98 R99V6-E79 CarbonylContact C-O 3.52Å; V6-E79 WeakPolarHBondContact CA-O 3.49Å; I7-E79 HydrophobicContact CB-CB 4.22Å; I7-E79 PolarHBondContact N-O 3.12Å; I7-E79 PolarHBondContact O-N 2.92Å; Y77-E79 HydrophobicContact CD2-CB 4.34Å; Y77-E79 HydrophobicContact CE2-CB 4.45Å; E79-L98 WeakPolarHBondContact CA-O 3.37Å; E79-R99 HydrophobicContact CB-CB 3.89Å; E79-R99 HydrophobicContact CB-CG 4.02Å; E79-R99 HydrophobicContact CG-CB 4.04Å; E79-R99 IonicContact OE1-NE 3.27Å; E79-R99 IonicContact OE1-NH2 2.6Å; E79-R99 PolarHBondContact OE1-NH2 3.2Å; E79-R99 IonicContact OE2-CZ 3.71Å; E79-R99 VanDerWaalsContact OE2-CZ 3.28Å; E79-R99 IonicContact OE2-NE 3.31Å; E79-R99 PolarHBondContact OE2-NE 3.16Å; E79-R99 IonicContact OE2-NH2 3.52Å; E79-R99 PolarHBondContact OE2-NH2 3.13Å
80M92.5Very high87.4Confident0 Ų053.6 Ų53.60%030%0.298CS..EExtended strand (participates in β ladder)trans-107.6133.1176.5-64.3-172.767.600109.1I3 V6 I45 V48 L49 F82 S97 L98I3-M80 HydrophobicContact CB-CE 4.39Å; I3-M80 HydrophobicContact CD1-CE 3.39Å; I3-M80 HydrophobicContact CG1-CE 3.57Å; I3-M80 HydrophobicContact CG2-CE 3.91Å; V6-M80 HydrophobicContact CG2-CE 4.45Å; V6-M80 HydrophobicContact CG2-CG 4.48Å; I45-M80 HydrophobicContact CG2-CE 3.82Å; I45-M80 HydrophobicContact CG2-SD 4.14Å; V48-M80 HydrophobicContact CB-CG 4.24Å; V48-M80 HydrophobicContact CB-SD 3.73Å; V48-M80 HydrophobicContact CG1-CG 4.15Å; V48-M80 HydrophobicContact CG1-SD 3.87Å; V48-M80 HydrophobicContact CG2-CG 4.18Å; V48-M80 HydrophobicContact CG2-SD 4.22Å; L49-M80 HydrophobicContact CD1-CE 3.8Å; L49-M80 HydrophobicContact CD1-SD 3.78Å; L49-M80 HydrophobicContact CD2-SD 4.48Å; L49-M80 HydrophobicContact CG-CE 4.47Å; L49-M80 HydrophobicContact CG-SD 3.92Å; M80-F82 HydrophobicContact CB-CE1 4.48Å; M80-F82 HydrophobicContact CB-CE2 3.75Å; M80-F82 HydrophobicContact CB-CZ 3.72Å; M80-F82 HydrophobicContact CE-CE1 3.7Å; M80-F82 HydrophobicContact CE-CZ 3.64Å; M80-F82 HydrophobicContact CG-CZ 4.46Å; M80-F82 HydrophobicContact SD-CZ 3.96Å; M80-S97 CarbonylContact O-C 3.52Å; M80-S97 WeakPolarHBondContact O-CA 3.43Å; M80-L98 PolarHBondContact N-O 3.44Å; M80-L98 PolarHBondContact O-N 3.39Å
81I92.7Very high87.5Confident32 Ų3254 Ų5416%0.16428%0.284CS..EExtended strand (participates in β ladder)trans-110.2116.1173.8-56.8172.9000106.9K4 K5 I7 V96K4-I81 WeakPolarHBondContact CB-O 3.07Å; K4-I81 PolarHBondContact N-O 3.23Å; K5-I81 HydrophobicContact CB-CB 4.23Å; K5-I81 HydrophobicContact CB-CD1 4.36Å; K5-I81 HydrophobicContact CD-CD1 4.36Å; K5-I81 PolarHBondContact N-O 3.41Å; K5-I81 PolarHBondContact O-N 3.48Å; I7-I81 HydrophobicContact CD1-CD1 4.29Å; I81-V96 WeakPolarHBondContact CA-O 3.32Å
82F91Very high87.5Confident1 Ų156.7 Ų56.70%0.00429%0.293CS..EExtended strand (participates in β ladder)trans-97.7137.7177-57.8-79.9000109.7M1 Y2 I3 L49 M80 E95 V96 L98 F1132M1-F82 HydrophobicContact CG-CB 4.36Å; Y2-F82 WeakPolarHBondContact O-CA 3.33Å; I3-F82 HydrophobicContact CG1-CD1 4.22Å; I3-F82 HydrophobicContact CG1-CE1 3.88Å; L49-F82 HydrophobicContact CD2-CZ 3.92Å; M80-F82 HydrophobicContact CB-CE1 4.48Å; M80-F82 HydrophobicContact CB-CE2 3.75Å; M80-F82 HydrophobicContact CB-CZ 3.72Å; M80-F82 HydrophobicContact CE-CE1 3.7Å; M80-F82 HydrophobicContact CE-CZ 3.64Å; M80-F82 HydrophobicContact CG-CZ 4.46Å; M80-F82 HydrophobicContact SD-CZ 3.96Å; F82-E95 WeakPolarHBondContact O-CA 3.18Å; F82-V96 PolarHBondContact N-O 2.94Å; F82-V96 PolarHBondContact O-N 2.91Å; F82-L98 HydrophobicContact CE2-CB 3.92Å; F82-L98 HydrophobicContact CE2-CD2 4.28Å; F82-F1132 HydrophobicContact CE1-CE1 4.12Å
83D91Very high87.6Confident25 Ų2553.4 Ų53.413%0.13428%0.283CS..EExtended strand (participates in β ladder)trans-81.9117.8159.4-175.7-35.9000107.3M1 Y2 S85 N94M1-D83 CarbonylContact C-O 3.52Å; M1-D83 WeakPolarHBondContact CA-O 3.31Å; M1-D83 WeakPolarHBondContact CG-O 3.43Å; Y2-D83 HydrophobicContact CD1-CB 3.82Å; Y2-D83 HydrophobicContact CE1-CB 3.3Å; Y2-D83 WeakPolarHBondContact CE1-OD2 3.33Å; Y2-D83 HydrophobicContact CE2-CB 4.17Å; Y2-D83 HydrophobicContact CG-CB 4.4Å; Y2-D83 VanDerWaalsContact CZ-CB 3.47Å; Y2-D83 VanDerWaalsContact CZ-OD2 3.31Å; Y2-D83 PolarHBondContact N-O 3.09Å; Y2-D83 PolarHBondContact O-N 3.5Å; Y2-D83 PolarHBondContact OH-OD2 3.35Å; D83-S85 VanDerWaalsContact OD1-CB 3.24Å; D83-S85 WeakPolarHBondContact OD1-CB 3.47Å; D83-S85 PolarHBondContact OD1-N 3.33Å; D83-S85 PolarHBondContact OD1-OG 3.07Å; D83-N94 CarbonylContact C-O 3.54Å; D83-N94 WeakPolarHBondContact CA-O 3.46Å
84N88.9Confident87.6Confident0 Ų057.1 Ų57.10%030%0.302CS..  trans-11130.2-177.2-170.845.7000111.7D86 N87 R88 I89 F91 N94 V96N84-D86 PolarHBondContact O-N 3.27Å; N84-N87 PolarHBondContact O-N 2.74Å; N84-R88 PolarHBondContact OD1-N 3.37Å; N84-I89 PolarHBondContact ND2-O 2.99Å; N84-I89 WeakPolarHBondContact OD1-CB 3.24Å; N84-I89 PolarHBondContact OD1-N 3.09Å; N84-F91 PolarHBondContact ND2-O 3.31Å; N84-N94 PolarHBondContact N-O 3.08Å; N84-V96 HydrophobicContact CB-CG2 3.84Å
85S85.2Confident87.7Confident75 Ų7555.3 Ų55.352%0.52429%0.291SS..THydrogen-bonded Turntrans-60.3-17.5-178.1-60.30000114.7D83D83-S85 VanDerWaalsContact OD1-CB 3.24Å; D83-S85 WeakPolarHBondContact OD1-CB 3.47Å; D83-S85 PolarHBondContact OD1-N 3.33Å; D83-S85 PolarHBondContact OD1-OG 3.07Å
86D83.3Confident87.6Confident75 Ų7552.2 Ų52.240%0.40127%0.269SS..THydrogen-bonded Turntrans-93.33.6174.264.9-24000113.8M1 N84 R88M1-D86 WeakPolarHBondContact CA-OD1 3.44Å; M1-D86 VanDerWaalsContact CB-OD1 3.32Å; M1-D86 WeakPolarHBondContact CB-OD1 3.24Å; M1-D86 PolarHBondContact N-OD1 3.05Å; M1-D86 PolarHBondContact N-OD2 2.78Å; N84-D86 PolarHBondContact O-N 3.27Å; D86-R88 PolarHBondContact O-N 2.99Å; D86-R88 VanDerWaalsContact O-N 3.15Å; D86-R88 VanDerWaalsContact OD2-CD 3.3Å; D86-R88 WeakPolarHBondContact OD2-CD 3.28Å; D86-R88 WeakPolarHBondContact OD2-CG 3.33Å; D86-R88 IonicContact OD2-NE 2.69Å
87N83.7Confident87.6Confident105 Ų10553.1 Ų53.156%0.56128%0.275SS*.  trans52.532.2-180-65-36.8000114.2N84 I89N84-N87 PolarHBondContact O-N 2.74Å; N87-I89 VanDerWaalsContact C-N 3.32Å
88R82.4Confident87.6Confident87 Ų8751.3 Ų51.333%0.32827%0.268SS..  trans-64.1-39.3172.9-91.3-175.5176-166.7-3.5111.5M1 N84 D86 A128 P1129M1-R88 HydrophobicContact CB-CB 4.29Å; N84-R88 PolarHBondContact OD1-N 3.37Å; D86-R88 PolarHBondContact O-N 2.99Å; D86-R88 VanDerWaalsContact O-N 3.15Å; D86-R88 VanDerWaalsContact OD2-CD 3.3Å; D86-R88 WeakPolarHBondContact OD2-CD 3.28Å; D86-R88 WeakPolarHBondContact OD2-CG 3.33Å; D86-R88 IonicContact OD2-NE 2.69Å; R88-A128 WeakPolarHBondContact O-CA 3.39Å; R88-P1129 PolarHBondContact NH1-O 3.32Å; R88-P1129 VanDerWaalsContact NH1-O 3.12Å; R88-P1129 PolarHBondContact NH2-O 3.22Å
89I82.5Confident87.5Confident1 Ų154.5 Ų54.51%0.00528%0.28CS..SBendtrans-83.6124.1167.3-60.6171000106.6M1 N84 N87 F91 V96 M124 A128M1-I89 HydrophobicContact SD-CD1 3.54Å; M1-I89 VanDerWaalsContact SD-CD1 3.54Å; M1-I89 HydrophobicContact SD-CG1 3.64Å; N84-I89 PolarHBondContact ND2-O 2.99Å; N84-I89 WeakPolarHBondContact OD1-CB 3.24Å; N84-I89 PolarHBondContact OD1-N 3.09Å; N87-I89 VanDerWaalsContact C-N 3.32Å; I89-F91 HydrophobicContact CG2-CB 3.91Å; I89-F91 PolarHBondContact O-N 3.08Å; I89-V96 HydrophobicContact CD1-CG1 4.42Å; I89-M124 HydrophobicContact CG2-CE 4.26Å; I89-M124 HydrophobicContact CG2-CG 3.7Å; I89-M124 HydrophobicContact CG2-SD 3.62Å; I89-A128 HydrophobicContact CG1-CB 3.76Å
90P81Confident87.5Confident97 Ų9753.7 Ų53.763%0.6328%0.277SS*.SBendtrans-74.169.4179.931.2-35.3000110.6
91F79.6Confident87.6Confident60 Ų6055.6 Ų55.626%0.26329%0.287SS..SBendtrans-141.7130.8-176.8-156.4-99.1000109.3N84 I89 K93 V96 L111 D112N84-F91 PolarHBondContact ND2-O 3.31Å; I89-F91 HydrophobicContact CG2-CB 3.91Å; I89-F91 PolarHBondContact O-N 3.08Å; F91-K93 HydrophobicContact CD1-CB 4.16Å; F91-K93 HydrophobicContact CD1-CG 4.28Å; F91-K93 HydrophobicContact CE1-CB 4.46Å; F91-K93 HydrophobicContact CE1-CD 4.21Å; F91-K93 HydrophobicContact CE1-CG 4.19Å; F91-K93 PolarHBondContact O-N 3.44Å; F91-V96 HydrophobicContact CB-CG2 4.26Å; F91-V96 HydrophobicContact CD1-CG2 4.05Å; F91-V96 HydrophobicContact CG-CG2 4.49Å; F91-L111 HydrophobicContact CD2-CD2 4.1Å; F91-L111 HydrophobicContact CE2-CD2 3.8Å; F91-L111 HydrophobicContact CE2-CG 4.38Å; F91-L111 HydrophobicContact CZ-CD2 4.45Å; F91-D112 HydrophobicContact CE1-CB 4.35Å; F91-D112 WeakPolarHBondContact CE1-OD2 3.42Å; F91-D112 HydrophobicContact CZ-CB 4.26Å
92D79.5Confident87.6Confident175 Ų17554.1 Ų54.194%0.93628%0.279SS*.SBendtrans-69.514.3-168.7-73-24.3000115.7
93K84.5Confident87.5Confident108 Ų10854.4 Ų54.447%0.4728%0.282SS..  trans-119.1139.5179.9-63.3-168.5-167.6166.20111.7F91 E95 D112F91-K93 HydrophobicContact CD1-CB 4.16Å; F91-K93 HydrophobicContact CD1-CG 4.28Å; F91-K93 HydrophobicContact CE1-CB 4.46Å; F91-K93 HydrophobicContact CE1-CD 4.21Å; F91-K93 HydrophobicContact CE1-CG 4.19Å; F91-K93 PolarHBondContact O-N 3.44Å; K93-E95 WeakPolarHBondContact CB-O 3.36Å; K93-E95 PolarHBondContact O-N 3.16Å; K93-D112 VanDerWaalsContact CD-OD2 3.26Å; K93-D112 WeakPolarHBondContact CD-OD2 3.45Å; K93-D112 WeakPolarHBondContact CE-OD2 3.39Å; K93-D112 IonicContact NZ-OD2 3.68Å; K93-D112 PolarHBondContact NZ-OD2 3.22Å
94N86.1Confident87.2Confident103 Ų10355.5 Ų55.555%0.55129%0.292SS*.SBendtrans-67.4-24.2172.7-63-8.3000112.5D83 N84D83-N94 CarbonylContact C-O 3.54Å; D83-N94 WeakPolarHBondContact CA-O 3.46Å; N84-N94 PolarHBondContact N-O 3.08Å
95E89.9Confident87Confident98 Ų9863.6 Ų63.646%0.45833%0.327SS..EExtended strand (participates in β ladder)trans-119.8123.9173-67.9-172.5172.800109.7K4 F82 K93K4-E95 IonicContact NZ-OE1 3.98Å; K4-E95 PolarHBondContact NZ-OE1 3.45Å; F82-E95 WeakPolarHBondContact O-CA 3.18Å; K93-E95 WeakPolarHBondContact CB-O 3.36Å; K93-E95 PolarHBondContact O-N 3.16Å
96V91Very high87Confident0 Ų066.6 Ų66.60%033%0.331CS..EExtended strand (participates in β ladder)trans-117.9121.6-178.7-179.50000108.8I81 F82 N84 I89 F91 L111I81-V96 WeakPolarHBondContact CA-O 3.32Å; F82-V96 PolarHBondContact N-O 2.94Å; F82-V96 PolarHBondContact O-N 2.91Å; N84-V96 HydrophobicContact CB-CG2 3.84Å; I89-V96 HydrophobicContact CD1-CG1 4.42Å; F91-V96 HydrophobicContact CB-CG2 4.26Å; F91-V96 HydrophobicContact CD1-CG2 4.05Å; F91-V96 HydrophobicContact CG-CG2 4.49Å; V96-L111 HydrophobicContact CG1-CD1 3.58Å
97S92.4Very high87.3Confident18 Ų1865.3 Ų65.313%0.12632%0.323CS..EExtended strand (participates in β ladder)trans-99.3121.9176.1620000111.3M80 L111 D112M80-S97 CarbonylContact O-C 3.52Å; M80-S97 WeakPolarHBondContact O-CA 3.43Å; S97-L111 CarbonylContact O-C 3.47Å; S97-L111 WeakPolarHBondContact O-CA 3.43Å; S97-D112 PolarHBondContact N-OD1 3.47Å; S97-D112 PolarHBondContact O-N 3.31Å; S97-D112 VanDerWaalsContact OG-CA 3.3Å; S97-D112 WeakPolarHBondContact OG-CA 3.48Å; S97-D112 PolarHBondContact OG-OD1 3.18Å
98L92.8Very high87.7Confident0 Ų063.2 Ų63.20%031%0.311CS..EExtended strand (participates in β ladder)trans-116.9111.9174.9-178.463.1000109.2V48 E79 M80 F82 Y109 L111 V121V48-L98 HydrophobicContact CG1-CD2 3.64Å; V48-L98 HydrophobicContact CG1-CG 3.82Å; E79-L98 WeakPolarHBondContact CA-O 3.37Å; M80-L98 PolarHBondContact N-O 3.44Å; M80-L98 PolarHBondContact O-N 3.39Å; F82-L98 HydrophobicContact CE2-CB 3.92Å; F82-L98 HydrophobicContact CE2-CD2 4.28Å; L98-Y109 HydrophobicContact CD1-CD1 4.5Å; L98-L111 HydrophobicContact CD1-CD1 4.34Å; L98-V121 HydrophobicContact CD1-CG1 4.11Å; L98-V121 HydrophobicContact CD1-CG2 4.35Å; L98-V121 HydrophobicContact CD2-CG1 4.27Å
99R93.8Very high88.3Confident67 Ų6759.5 Ų59.525%0.25330%0.297SS..EExtended strand (participates in β ladder)trans-112.8127.3178.8178-171.5-62.9174.2-1110.5Y77 V78 E79 I101 Y109 F110Y77-R99 HydrophobicContact CD2-CG 4.15Å; V78-R99 CarbonylContact O-C 3.37Å; V78-R99 WeakPolarHBondContact O-CA 3.45Å; E79-R99 HydrophobicContact CB-CB 3.89Å; E79-R99 HydrophobicContact CB-CG 4.02Å; E79-R99 HydrophobicContact CG-CB 4.04Å; E79-R99 IonicContact OE1-NE 3.27Å; E79-R99 IonicContact OE1-NH2 2.6Å; E79-R99 PolarHBondContact OE1-NH2 3.2Å; E79-R99 IonicContact OE2-CZ 3.71Å; E79-R99 VanDerWaalsContact OE2-CZ 3.28Å; E79-R99 IonicContact OE2-NE 3.31Å; E79-R99 PolarHBondContact OE2-NE 3.16Å; E79-R99 IonicContact OE2-NH2 3.52Å; E79-R99 PolarHBondContact OE2-NH2 3.13Å; R99-I101 HydrophobicContact CG-CG1 4.02Å; R99-Y109 CarbonylContact O-C 3.58Å; R99-F110 HydrophobicContact CB-CB 4.19Å; R99-F110 PolarHBondContact N-O 3.41Å; R99-F110 PolarHBondContact O-N 3.19Å
100R94.2Very high88.8Confident1 Ų161.2 Ų61.20%0.00430%0.304CS..EExtended strand (participates in β ladder)trans-108.3121.7168.4-168.8178.8178.1179.9-0.2109.4F47 V48 Y53 Y77 V78 D107 Q108 Y109F47-R100 HydrophobicContact CD1-CB 4.49Å; F47-R100 HydrophobicContact CE1-CB 3.8Å; F47-R100 HydrophobicContact CE1-CG 3.65Å; F47-R100 HydrophobicContact CZ-CB 4.28Å; F47-R100 HydrophobicContact CZ-CG 3.59Å; F47-R100 VanDerWaalsContact O-CD 3.29Å; F47-R100 WeakPolarHBondContact O-CD 3.49Å; F47-R100 PolarHBondContact O-NH1 2.87Å; V48-R100 HydrophobicContact CG2-CB 4.29Å; Y53-R100 PolarHBondContact O-NH2 2.77Å; Y77-R100 WeakPolarHBondContact CA-O 3.22Å; V78-R100 PolarHBondContact N-O 3.27Å; V78-R100 PolarHBondContact O-N 3.33Å; R100-D107 IonicContact CZ-OD1 3.6Å; R100-D107 IonicContact CZ-OD2 3.67Å; R100-D107 IonicContact NE-OD1 3.66Å; R100-D107 PolarHBondContact NE-OD1 3.47Å; R100-D107 IonicContact NE-OD2 3.69Å; R100-D107 IonicContact NH2-OD1 2.92Å; R100-D107 IonicContact NH2-OD2 2.72Å; R100-D107 PolarHBondContact NH2-OD2 3.11Å; R100-Q108 WeakPolarHBondContact CA-O 3.34Å; R100-Y109 HydrophobicContact CB-CD1 4.18Å; R100-Y109 HydrophobicContact CB-CE1 4.17Å; R100-Y109 HydrophobicContact CG-CD1 4.08Å; R100-Y109 HydrophobicContact CG-CE1 3.84Å; R100-Y109 PolarHBondContact NE-OH 3.44Å; R100-Y109 PolarHBondContact NH1-OH 3.02Å
101I93.4Very high89.3Confident40 Ų4057.5 Ų57.521%0.20528%0.279CS..EExtended strand (participates in β ladder)trans-104.4126.7178.4-54.1-173.7000108.5R99 D107 Q108 F110R99-I101 HydrophobicContact CG-CG1 4.02Å; I101-D107 WeakPolarHBondContact O-CA 3.36Å; I101-Q108 PolarHBondContact N-O 3.22Å; I101-Q108 PolarHBondContact O-N 2.97Å; I101-F110 HydrophobicContact CD1-CD2 3.81Å; I101-F110 HydrophobicContact CD1-CE2 3.48Å; I101-F110 VanDerWaalsContact CD1-CE2 3.48Å; I101-F110 HydrophobicContact CD1-CZ 4.29Å; I101-F110 HydrophobicContact CG1-CD2 4.03Å; I101-F110 HydrophobicContact CG1-CE2 4.02Å
102I92.5Very high89.7Confident0 Ų055.9 Ų55.90%027%0.273CS..EExtended strand (participates in β ladder)trans-120.4136.4176.3-168.267.2000110.8F47 R61 L65 S75 A76 K106 D107F47-I102 HydrophobicContact CE1-CB 4.47Å; F47-I102 HydrophobicContact CE1-CG2 4.28Å; F47-I102 HydrophobicContact CE2-CB 4.35Å; F47-I102 HydrophobicContact CZ-CB 3.7Å; F47-I102 HydrophobicContact CZ-CG1 4.35Å; F47-I102 HydrophobicContact CZ-CG2 3.87Å; R61-I102 HydrophobicContact CG-CD1 4.21Å; L65-I102 HydrophobicContact CD2-CG2 4.35Å; S75-I102 CarbonylContact C-O 3.6Å; S75-I102 VanDerWaalsContact CA-O 3.25Å; S75-I102 WeakPolarHBondContact CA-O 3.25Å; A76-I102 HydrophobicContact CB-CG2 3.83Å; A76-I102 PolarHBondContact N-O 3.28Å; A76-I102 PolarHBondContact O-N 3.12Å; A76-I102 VanDerWaalsContact O-O 3.1Å; I102-K106 CarbonylContact C-O 3.47Å; I102-K106 WeakPolarHBondContact CA-O 3.12Å; I102-D107 HydrophobicContact CD1-CB 3.83Å
103G90.3Very high90Very high7 Ų755.5 Ų55.57%0.07226%0.263CS..EExtended strand (participates in β ladder)trans-143.5178.5166.500000109.3K105 K106G103-K105 PolarHBondContact O-N 2.82Å; G103-K106 PolarHBondContact N-O 2.77Å; G103-K106 PolarHBondContact O-N 3.45Å
104S84.3Confident90.3Very high48 Ų4857.5 Ų57.534%0.33627%0.272SS..SBendtrans-58.1-26.7-173.6-42.10000113.6Q62Q62-S104 PolarHBondContact OE1-OG 3.43Å
105K84Confident90.6Very high170 Ų17058.1 Ų58.174%0.73927%0.273SS*.SBendtrans-125.3-3.7179.1-63.5-169178.7-168.50115.1G103G103-K105 PolarHBondContact O-N 2.82Å
106K86.4Confident90.6Very high139 Ų13955.3 Ų55.360%0.60426%0.262SS*.  trans-127133.1-173.1-67.2-174.9179.1-178.10110.4I102 G103I102-K106 CarbonylContact C-O 3.47Å; I102-K106 WeakPolarHBondContact CA-O 3.12Å; G103-K106 PolarHBondContact N-O 2.77Å; G103-K106 PolarHBondContact O-N 3.45Å
107D89.4Confident90.5Very high47 Ų4759 Ų5925%0.25128%0.284SS..EExtended strand (participates in β ladder)trans-135.9111170.9-172.93.6000107.2R100 I101 I102R100-D107 IonicContact CZ-OD1 3.6Å; R100-D107 IonicContact CZ-OD2 3.67Å; R100-D107 IonicContact NE-OD1 3.66Å; R100-D107 PolarHBondContact NE-OD1 3.47Å; R100-D107 IonicContact NE-OD2 3.69Å; R100-D107 IonicContact NH2-OD1 2.92Å; R100-D107 IonicContact NH2-OD2 2.72Å; R100-D107 PolarHBondContact NH2-OD2 3.11Å; I101-D107 WeakPolarHBondContact O-CA 3.36Å; I102-D107 HydrophobicContact CD1-CB 3.83Å
108Q92.2Very high90.1Very high62 Ų6262 Ų6229%0.2930%0.295SS..EExtended strand (participates in β ladder)trans-135.3135.3-169.6-67.3179.8-2000110.8R100 I101 F110 M115R100-Q108 WeakPolarHBondContact CA-O 3.34Å; I101-Q108 PolarHBondContact N-O 3.22Å; I101-Q108 PolarHBondContact O-N 2.97Å; Q108-F110 HydrophobicContact CB-CD2 4.41Å; Q108-F110 HydrophobicContact CB-CE2 3.76Å; Q108-M115 HydrophobicContact CG-CE 4.32Å
109Y93.6Very high89.7Confident9 Ų964.8 Ų64.84%0.03532%0.318CS..EExtended strand (participates in β ladder)trans-99.8136.5172.8-68.1-92.9000110.4L98 R99 R100 M115 V116 K118 V121L98-Y109 HydrophobicContact CD1-CD1 4.5Å; R99-Y109 CarbonylContact O-C 3.58Å; R100-Y109 HydrophobicContact CB-CD1 4.18Å; R100-Y109 HydrophobicContact CB-CE1 4.17Å; R100-Y109 HydrophobicContact CG-CD1 4.08Å; R100-Y109 HydrophobicContact CG-CE1 3.84Å; R100-Y109 PolarHBondContact NE-OH 3.44Å; R100-Y109 PolarHBondContact NH1-OH 3.02Å; Y109-M115 WeakPolarHBondContact O-CA 3.23Å; Y109-V116 PolarHBondContact O-N 3.49Å; Y109-K118 HydrophobicContact CD2-CB 4.45Å; Y109-K118 HydrophobicContact CE2-CB 4.24Å; Y109-K118 HydrophobicContact CE2-CG 4.07Å; Y109-V121 HydrophobicContact CD1-CB 4.45Å; Y109-V121 HydrophobicContact CD1-CG1 4.06Å; Y109-V121 HydrophobicContact CD1-CG2 4.14Å; Y109-V121 HydrophobicContact CE1-CG1 4.25Å; Y109-V121 HydrophobicContact CG-CG2 4.04Å
110F93.9Very high89.4Confident37 Ų3765.7 Ų65.716%0.16233%0.328CS..EExtended strand (participates in β ladder)trans-124.1119.6173.8-69.2-97.2000108.9R99 I101 Q108 K114 M115R99-F110 HydrophobicContact CB-CB 4.19Å; R99-F110 PolarHBondContact N-O 3.41Å; R99-F110 PolarHBondContact O-N 3.19Å; I101-F110 HydrophobicContact CD1-CD2 3.81Å; I101-F110 HydrophobicContact CD1-CE2 3.48Å; I101-F110 VanDerWaalsContact CD1-CE2 3.48Å; I101-F110 HydrophobicContact CD1-CZ 4.29Å; I101-F110 HydrophobicContact CG1-CD2 4.03Å; I101-F110 HydrophobicContact CG1-CE2 4.02Å; Q108-F110 HydrophobicContact CB-CD2 4.41Å; Q108-F110 HydrophobicContact CB-CE2 3.76Å; F110-K114 CarbonylContact C-O 3.54Å; F110-K114 WeakPolarHBondContact CA-O 3.41Å; F110-M115 HydrophobicContact CD1-CB 4.32Å; F110-M115 HydrophobicContact CE1-CB 4.04Å; F110-M115 HydrophobicContact CE1-CE 4.18Å; F110-M115 HydrophobicContact CE2-CE 4.45Å; F110-M115 HydrophobicContact CZ-CE 3.69Å
111L91.6Very high89Confident18 Ų1865.8 Ų65.89%0.09433%0.329CS..EExtended strand (participates in β ladder)trans-102.6115.3170.1-175.569.1000107.2F91 V96 S97 L98 K113 K114 V116 M124F91-L111 HydrophobicContact CD2-CD2 4.1Å; F91-L111 HydrophobicContact CE2-CD2 3.8Å; F91-L111 HydrophobicContact CE2-CG 4.38Å; F91-L111 HydrophobicContact CZ-CD2 4.45Å; V96-L111 HydrophobicContact CG1-CD1 3.58Å; S97-L111 CarbonylContact O-C 3.47Å; S97-L111 WeakPolarHBondContact O-CA 3.43Å; L98-L111 HydrophobicContact CD1-CD1 4.34Å; L111-K113 VanDerWaalsContact C-N 3.26Å; L111-K113 PolarHBondContact O-N 3.02Å; L111-K114 PolarHBondContact N-O 3.42Å; L111-K114 WeakPolarHBondContact O-CB 3.42Å; L111-K114 PolarHBondContact O-N 2.79Å; L111-V116 HydrophobicContact CB-CG1 3.97Å; L111-V116 HydrophobicContact CB-CG2 3.93Å; L111-M124 HydrophobicContact CD1-CE 4.1Å; L111-M124 HydrophobicContact CD1-SD 3.96Å; L111-M124 HydrophobicContact CD2-SD 3.79Å
112D88.2Confident88.4Confident26 Ų2664.4 Ų64.414%0.13932%0.321CS..THydrogen-bonded Turntrans53.444.7-179.8-92.412.1000113.7F91 K93 S97 K114F91-D112 HydrophobicContact CE1-CB 4.35Å; F91-D112 WeakPolarHBondContact CE1-OD2 3.42Å; F91-D112 HydrophobicContact CZ-CB 4.26Å; K93-D112 VanDerWaalsContact CD-OD2 3.26Å; K93-D112 WeakPolarHBondContact CD-OD2 3.45Å; K93-D112 WeakPolarHBondContact CE-OD2 3.39Å; K93-D112 IonicContact NZ-OD2 3.68Å; K93-D112 PolarHBondContact NZ-OD2 3.22Å; S97-D112 PolarHBondContact N-OD1 3.47Å; S97-D112 PolarHBondContact O-N 3.31Å; S97-D112 VanDerWaalsContact OG-CA 3.3Å; S97-D112 WeakPolarHBondContact OG-CA 3.48Å; S97-D112 PolarHBondContact OG-OD1 3.18Å; D112-K114 PolarHBondContact O-N 3.37Å; D112-K114 VanDerWaalsContact O-N 3.13Å
113K86.5Confident87.9Confident167 Ų16768 Ų6873%0.72634%0.341SS*.THydrogen-bonded Turntrans65.33.6-176.8-48.7174.9-177.2175.80114.4L111L111-K113 VanDerWaalsContact C-N 3.26Å; L111-K113 PolarHBondContact O-N 3.02Å
114K90.2Very high87.5Confident151 Ų15168.7 Ų68.766%0.65734%0.342SS*.EExtended strand (participates in β ladder)trans-93.7131.9171.3-64-177.3177.7179.70110F110 L111 D112 V116F110-K114 CarbonylContact C-O 3.54Å; F110-K114 WeakPolarHBondContact CA-O 3.41Å; L111-K114 PolarHBondContact N-O 3.42Å; L111-K114 WeakPolarHBondContact O-CB 3.42Å; L111-K114 PolarHBondContact O-N 2.79Å; D112-K114 PolarHBondContact O-N 3.37Å; D112-K114 VanDerWaalsContact O-N 3.13Å; K114-V116 PolarHBondContact O-N 2.75Å
115M92Very high87.4Confident116 Ų11666.7 Ų66.757%0.57133%0.328SS*.EExtended strand (participates in β ladder)trans-67.6131.2173.4-172.7178.5-7500109.5Q108 Y109 F110Q108-M115 HydrophobicContact CG-CE 4.32Å; Y109-M115 WeakPolarHBondContact O-CA 3.23Å; F110-M115 HydrophobicContact CD1-CB 4.32Å; F110-M115 HydrophobicContact CE1-CB 4.04Å; F110-M115 HydrophobicContact CE1-CE 4.18Å; F110-M115 HydrophobicContact CE2-CE 4.45Å; F110-M115 HydrophobicContact CZ-CE 3.69Å
116V90.8Very high87.1Confident38 Ų3861 Ų6123%0.2330%0.304CS..EExtended strand (participates in β ladder)trans-130.7155.1-179.8-71.50000110.2Y109 L111 K114 V121Y109-V116 PolarHBondContact O-N 3.49Å; L111-V116 HydrophobicContact CB-CG1 3.97Å; L111-V116 HydrophobicContact CB-CG2 3.93Å; K114-V116 PolarHBondContact O-N 2.75Å; V116-V121 HydrophobicContact CB-CG2 4.34Å; V116-V121 HydrophobicContact CG2-CG2 3.39Å
117T89.2Confident86.7Confident77 Ų7758.5 Ų58.547%0.47230%0.304SS..  trans-75155177.577.60000110.5A119 D120 V121T117-A119 PolarHBondContact O-N 3.23Å; T117-D120 WeakPolarHBondContact CB-OD2 3.45Å; T117-D120 PolarHBondContact O-N 2.9Å; T117-D120 PolarHBondContact OG1-N 3.32Å; T117-D120 PolarHBondContact OG1-OD2 3.45Å; T117-V121 PolarHBondContact O-N 3.45Å
118K83.9Confident86Confident82 Ų8256.4 Ų56.436%0.35729%0.293SS..Hα-helixtrans-55.7-40.9174-176.1-166.5175.8-157.30111.3D51 S54 Y109 D120 V121 M122D51-K118 WeakPolarHBondContact OD1-CE 3.25Å; D51-K118 IonicContact OD1-NZ 2.77Å; D51-K118 PolarHBondContact OD1-NZ 3.18Å; D51-K118 IonicContact OD2-NZ 3.63Å; S54-K118 PolarHBondContact OG-NZ 3.44Å; Y109-K118 HydrophobicContact CD2-CB 4.45Å; Y109-K118 HydrophobicContact CE2-CB 4.24Å; Y109-K118 HydrophobicContact CE2-CG 4.07Å; K118-D120 VanDerWaalsContact C-N 3.34Å; K118-D120 PolarHBondContact O-N 3.41Å; K118-V121 PolarHBondContact O-N 2.82Å; K118-M122 HydrophobicContact CG-CE 4.47Å; K118-M122 HydrophobicContact CG-CG 4.34Å; K118-M122 VanDerWaalsContact O-CG 3.26Å; K118-M122 WeakPolarHBondContact O-CG 3.48Å; K118-M122 PolarHBondContact O-N 2.87Å
119A84.2Confident85.2Confident58 Ų5855.1 Ų55.148%0.47930%0.296SS..Hα-helixtrans-62-42.7-178.700000111.5T117 M122 N123T117-A119 PolarHBondContact O-N 3.23Å; A119-M122 PolarHBondContact O-N 2.84Å; A119-N123 WeakPolarHBondContact O-CB 3.33Å; A119-N123 PolarHBondContact O-N 2.9Å; A119-N123 PolarHBondContact O-ND2 3.28Å
120D86.2Confident84.4Confident86 Ų8654.9 Ų54.946%0.4630%0.295SS..Hα-helixtrans-64.7-43.1178.6-57.3-36.6000111.6T117 K118 N123 M124T117-D120 WeakPolarHBondContact CB-OD2 3.45Å; T117-D120 PolarHBondContact O-N 2.9Å; T117-D120 PolarHBondContact OG1-N 3.32Å; T117-D120 PolarHBondContact OG1-OD2 3.45Å; K118-D120 VanDerWaalsContact C-N 3.34Å; K118-D120 PolarHBondContact O-N 3.41Å; D120-N123 PolarHBondContact O-N 3.4Å; D120-M124 VanDerWaalsContact O-CB 3.25Å; D120-M124 WeakPolarHBondContact O-CB 3.47Å; D120-M124 PolarHBondContact O-N 3.3Å
121V86Confident83.2Confident3 Ų353.8 Ų53.82%0.01829%0.293CS..Hα-helixtrans-62.7-43.5176.2177.40000111L98 Y109 V116 T117 K118 M124 L125L98-V121 HydrophobicContact CD1-CG1 4.11Å; L98-V121 HydrophobicContact CD1-CG2 4.35Å; L98-V121 HydrophobicContact CD2-CG1 4.27Å; Y109-V121 HydrophobicContact CD1-CB 4.45Å; Y109-V121 HydrophobicContact CD1-CG1 4.06Å; Y109-V121 HydrophobicContact CD1-CG2 4.14Å; Y109-V121 HydrophobicContact CE1-CG1 4.25Å; Y109-V121 HydrophobicContact CG-CG2 4.04Å; V116-V121 HydrophobicContact CB-CG2 4.34Å; V116-V121 HydrophobicContact CG2-CG2 3.39Å; T117-V121 PolarHBondContact O-N 3.45Å; K118-V121 PolarHBondContact O-N 2.82Å; V121-M124 PolarHBondContact O-N 2.81Å; V121-L125 HydrophobicContact CG1-CD1 3.89Å; V121-L125 HydrophobicContact CG1-CG 4.26Å; V121-L125 WeakPolarHBondContact O-CB 3.46Å; V121-L125 VanDerWaalsContact O-CG 3.26Å; V121-L125 WeakPolarHBondContact O-CG 3.39Å; V121-L125 PolarHBondContact O-N 3.26Å
122M81.4Confident81.9Confident11 Ų1156.2 Ų56.25%0.05430%0.3CS..Hα-helixtrans-66.4-41.7179.1-69.1-65.5175.900112.2D51 K118 A119 M124 L125 E126D51-M122 HydrophobicContact CB-CE 3.83Å; D51-M122 HydrophobicContact CB-SD 4.43Å; D51-M122 WeakPolarHBondContact OD1-CE 3.41Å; K118-M122 HydrophobicContact CG-CE 4.47Å; K118-M122 HydrophobicContact CG-CG 4.34Å; K118-M122 VanDerWaalsContact O-CG 3.26Å; K118-M122 WeakPolarHBondContact O-CG 3.48Å; K118-M122 PolarHBondContact O-N 2.87Å; A119-M122 PolarHBondContact O-N 2.84Å; M122-M124 VanDerWaalsContact C-N 3.34Å; M122-L125 PolarHBondContact O-N 3.41Å; M122-E126 WeakPolarHBondContact O-CB 3.5Å; M122-E126 PolarHBondContact O-N 2.81Å
123N81.1Confident80.7Confident76 Ų7658 Ų5841%0.40631%0.314SS..Hα-helixtrans-63.3-41.3174.5-70-21.5000111.4A119 D120 E126 S127 R132A119-N123 WeakPolarHBondContact O-CB 3.33Å; A119-N123 PolarHBondContact O-N 2.9Å; A119-N123 PolarHBondContact O-ND2 3.28Å; D120-N123 PolarHBondContact O-N 3.4Å; N123-E126 PolarHBondContact O-N 3.5Å; N123-S127 WeakPolarHBondContact O-CB 3.33Å; N123-S127 PolarHBondContact O-N 2.8Å; N123-S127 PolarHBondContact O-OG 3.1Å; N123-R132 PolarHBondContact OD1-NH2 3.47Å
124M83.4Confident79.5Confident22 Ų2253.1 Ų53.111%0.10830%0.296CS..Hα-helixtrans-64.1-45.7176.5-175.2-164.378.900111.7I89 L111 D120 V121 M122 S127 A128I89-M124 HydrophobicContact CG2-CE 4.26Å; I89-M124 HydrophobicContact CG2-CG 3.7Å; I89-M124 HydrophobicContact CG2-SD 3.62Å; L111-M124 HydrophobicContact CD1-CE 4.1Å; L111-M124 HydrophobicContact CD1-SD 3.96Å; L111-M124 HydrophobicContact CD2-SD 3.79Å; D120-M124 VanDerWaalsContact O-CB 3.25Å; D120-M124 WeakPolarHBondContact O-CB 3.47Å; D120-M124 PolarHBondContact O-N 3.3Å; V121-M124 PolarHBondContact O-N 2.81Å; M122-M124 VanDerWaalsContact C-N 3.34Å; M124-S127 PolarHBondContact O-N 3.37Å; M124-A128 PolarHBondContact O-N 2.92Å
125L81.4Confident78.3Confident5 Ų546.8 Ų46.83%0.02627%0.271CS..Hα-helixtrans-64.3-42.7177.3-72.9175.6000111.2L49 V121 M122 S127 A128 G129 F130L49-L125 HydrophobicContact CD2-CD2 3.96Å; V121-L125 HydrophobicContact CG1-CD1 3.89Å; V121-L125 HydrophobicContact CG1-CG 4.26Å; V121-L125 WeakPolarHBondContact O-CB 3.46Å; V121-L125 VanDerWaalsContact O-CG 3.26Å; V121-L125 WeakPolarHBondContact O-CG 3.39Å; V121-L125 PolarHBondContact O-N 3.26Å; M122-L125 PolarHBondContact O-N 3.41Å; L125-S127 VanDerWaalsContact C-N 3.34Å; L125-S127 PolarHBondContact O-N 2.99Å; L125-A128 CarbonylContact O-C 3.56Å; L125-A128 PolarHBondContact O-N 3.12Å; L125-A128 VanDerWaalsContact O-N 3.12Å; L125-G129 PolarHBondContact O-N 3.21Å; L125-F130 HydrophobicContact CB-CB 4.04Å; L125-F130 HydrophobicContact CB-CD2 3.99Å; L125-F130 HydrophobicContact CB-CG 4.41Å; L125-F130 HydrophobicContact CD2-CD2 3.52Å; L125-F130 HydrophobicContact CD2-CE2 3.78Å; L125-F130 HydrophobicContact CD2-CG 4.32Å; L125-F130 HydrophobicContact CG-CD2 4.35Å; L125-F130 WeakPolarHBondContact O-CB 3.1Å; L125-F130 WeakPolarHBondContact O-CD2 3.1Å; L125-F130 PolarHBondContact O-N 3.04Å
126E78Confident77.5Confident51 Ų5141.6 Ų41.624%0.23825%0.245CC..Hα-helixtrans-64.4-38.6176.6-166.2171.8-138.800112.2M122 N123 A128 G129 F130 R132 R166 V167M122-E126 WeakPolarHBondContact O-CB 3.5Å; M122-E126 PolarHBondContact O-N 2.81Å; N123-E126 PolarHBondContact O-N 3.5Å; E126-A128 VanDerWaalsContact C-N 3.25Å; E126-A128 PolarHBondContact O-N 3.04Å; E126-G129 PolarHBondContact O-N 3.46Å; E126-G129 VanDerWaalsContact O-N 3.11Å; E126-F130 VanDerWaalsContact CA-O 3.31Å; E126-F130 WeakPolarHBondContact CA-O 3.43Å; E126-R132 VanDerWaalsContact CD-NE 3.35Å; E126-R132 IonicContact OE1-NE 3.81Å; E126-R132 IonicContact OE2-CZ 3.02Å; E126-R132 IonicContact OE2-NE 3.85Å; E126-R132 PolarHBondContact OE2-NE 3.18Å; E126-R132 IonicContact OE2-NH2 2.66Å; E126-R132 PolarHBondContact OE2-NH2 3.1Å; E126-R166 IonicContact OE1-CZ 3.91Å; E126-R166 IonicContact OE1-NH2 2.97Å; E126-R166 PolarHBondContact OE1-NH2 3.48Å; E126-V167 VanDerWaalsContact OE1-CG2 3.31Å; E126-V167 WeakPolarHBondContact OE1-CG2 3.34Å
127S78Confident77Confident87 Ų8739.8 Ų39.861%0.60823%0.234SC*.Hα-helixtrans-63.6-31.3173.2-55.70000112.6N123 M124 L125 G129N123-S127 WeakPolarHBondContact O-CB 3.33Å; N123-S127 PolarHBondContact O-N 2.8Å; N123-S127 PolarHBondContact O-OG 3.1Å; M124-S127 PolarHBondContact O-N 3.37Å; L125-S127 VanDerWaalsContact C-N 3.34Å; L125-S127 PolarHBondContact O-N 2.99Å; S127-G129 VanDerWaalsContact C-N 3.27Å; S127-G129 PolarHBondContact O-N 3.31Å
128A75.2Confident76.7Confident3 Ų337 Ų373%0.02522%0.216CC..THydrogen-bonded Turntrans-82.71.217700000113.9M1 R88 I89 M124 L125 E126 F130M1-A128 HydrophobicContact CE-CB 4.48Å; R88-A128 WeakPolarHBondContact O-CA 3.39Å; I89-A128 HydrophobicContact CG1-CB 3.76Å; M124-A128 PolarHBondContact O-N 2.92Å; L125-A128 CarbonylContact O-C 3.56Å; L125-A128 PolarHBondContact O-N 3.12Å; L125-A128 VanDerWaalsContact O-N 3.12Å; E126-A128 VanDerWaalsContact C-N 3.25Å; E126-A128 PolarHBondContact O-N 3.04Å; A128-F130 HydrophobicContact CB-CD2 4.1Å; A128-F130 HydrophobicContact CB-CE2 4.18Å
129G73.8Confident76.8Confident34 Ų3433.5 Ų33.535%0.35120%0.201SC..THydrogen-bonded Turntrans93.915.9178.600000114.9L125 E126 S127L125-G129 PolarHBondContact O-N 3.21Å; E126-G129 PolarHBondContact O-N 3.46Å; E126-G129 VanDerWaalsContact O-N 3.11Å; S127-G129 VanDerWaalsContact C-N 3.27Å; S127-G129 PolarHBondContact O-N 3.31Å
130F77.4Confident76.7Confident4 Ų433.1 Ų33.12%0.01819%0.189CC..  trans-91.7124.3173.4-62-74.8000111.7M1 L49 L125 E126 A128 Y137 P1131 F1132M1-F130 HydrophobicContact CE-CE1 4.5Å; M1-F130 HydrophobicContact CE-CE2 3.42Å; M1-F130 VanDerWaalsContact CE-CE2 3.42Å; M1-F130 HydrophobicContact CE-CZ 3.37Å; M1-F130 HydrophobicContact SD-CE2 4.33Å; L49-F130 HydrophobicContact CD2-CZ 4.47Å; L125-F130 HydrophobicContact CB-CB 4.04Å; L125-F130 HydrophobicContact CB-CD2 3.99Å; L125-F130 HydrophobicContact CB-CG 4.41Å; L125-F130 HydrophobicContact CD2-CD2 3.52Å; L125-F130 HydrophobicContact CD2-CE2 3.78Å; L125-F130 HydrophobicContact CD2-CG 4.32Å; L125-F130 HydrophobicContact CG-CD2 4.35Å; L125-F130 WeakPolarHBondContact O-CB 3.1Å; L125-F130 WeakPolarHBondContact O-CD2 3.1Å; L125-F130 PolarHBondContact O-N 3.04Å; E126-F130 VanDerWaalsContact CA-O 3.31Å; E126-F130 WeakPolarHBondContact CA-O 3.43Å; A128-F130 HydrophobicContact CB-CD2 4.1Å; A128-F130 HydrophobicContact CB-CE2 4.18Å; F130-Y137 HydrophobicContact CD1-CE1 4.4Å; F130-Y137 AromaticContact CD1-CE2 3.95Å; F130-Y137 HydrophobicContact CD1-CE2 3.95Å; F130-Y137 AromaticContact CD1-CZ 3.79Å; F130-Y137 HydrophobicContact CE1-CE2 4.43Å; F130-P1131 HydrophobicContact CE1-CB 4.48Å; F130-P1131 HydrophobicContact CE1-CG 3.88Å; F130-P1131 HydrophobicContact CE2-CG 4.35Å; F130-P1131 HydrophobicContact CZ-CB 4.25Å; F130-P1131 HydrophobicContact CZ-CG 3.72Å; F130-F1132 HydrophobicContact CD1-CZ 4.43Å; F130-F1132 HydrophobicContact CE1-CD1 4.35Å; F130-F1132 AromaticContact CE1-CE1 3.43Å; F130-F1132 HydrophobicContact CE1-CE1 3.43Å; F130-F1132 VanDerWaalsContact CE1-CE1 3.43Å; F130-F1132 HydrophobicContact CE1-CE2 4.39Å; F130-F1132 AromaticContact CE1-CZ 3.4Å; F130-F1132 HydrophobicContact CE1-CZ 3.4Å; F130-F1132 VanDerWaalsContact CE1-CZ 3.4Å; F130-F1132 HydrophobicContact CZ-CD1 4.43Å; F130-F1132 AromaticContact CZ-CE1 3.48Å; F130-F1132 HydrophobicContact CZ-CE1 3.48Å; F130-F1132 VanDerWaalsContact CZ-CE1 3.48Å; F130-F1132 AromaticContact CZ-CZ 3.87Å; F130-F1132 HydrophobicContact CZ-CZ 3.87Å
131S69.1Low76.4Confident15 Ų1534.1 Ų34.111%0.10519%0.191CC..  trans-67.1134.4169.8145.50000111.5N134 Y137 E161S131-N134 PolarHBondContact OG-N 3.36Å; S131-N134 PolarHBondContact OG-O 3.23Å; S131-Y137 PolarHBondContact O-OH 3.27Å; S131-E161 WeakPolarHBondContact CB-OE1 3.49Å; S131-E161 PolarHBondContact OG-OE1 3.01Å
132R64.9Low75.9Confident69 Ų6937 Ų3726%0.2622%0.221SC..SBendtrans-72.1-42.8178.5-58.4-173-164-171-8.7112.8D51 N123 E126 R166D51-R132 VanDerWaalsContact CB-O 3.31Å; D51-R132 WeakPolarHBondContact CB-O 3.31Å; N123-R132 PolarHBondContact OD1-NH2 3.47Å; E126-R132 VanDerWaalsContact CD-NE 3.35Å; E126-R132 IonicContact OE1-NE 3.81Å; E126-R132 IonicContact OE2-CZ 3.02Å; E126-R132 IonicContact OE2-NE 3.85Å; E126-R132 PolarHBondContact OE2-NE 3.18Å; E126-R132 IonicContact OE2-NH2 2.66Å; E126-R132 PolarHBondContact OE2-NH2 3.1Å; R132-R166 VanDerWaalsContact CD-NH2 3.3Å
133S62.6Low75.6Confident62 Ų6240.4 Ų40.443%0.43424%0.236SC..SBendtrans-104.4-24.4-163.738.30000114.9E161 R166S133-E161 PolarHBondContact N-OE1 3.41Å; S133-E161 PolarHBondContact OG-OE1 3.37Å; S133-R166 PolarHBondContact OG-NH1 3.2Å
134N61.7Low75.6Confident65 Ų6537.4 Ų37.435%0.34822%0.219SC..  trans-147.486.1-174.5-149.22.9000111.9S131 Y136 E161S131-N134 PolarHBondContact OG-N 3.36Å; S131-N134 PolarHBondContact OG-O 3.23Å; N134-Y136 PolarHBondContact O-N 3.02Å; N134-E161 WeakPolarHBondContact CB-OE2 3.34Å; N134-E161 PolarHBondContact N-OE1 2.97Å
135P63.3Low75.3Confident18 Ų1838.4 Ų38.412%0.11723%0.226CC..  trans-74.388.1-177.230.7-34.3000110.4Y137 I138P135-Y137 HydrophobicContact CB-CD1 4.09Å; P135-Y137 HydrophobicContact CB-CD2 4.24Å; P135-Y137 HydrophobicContact CB-CE1 3.6Å; P135-Y137 HydrophobicContact CB-CE2 3.76Å; P135-Y137 HydrophobicContact CB-CG 4.37Å; P135-Y137 PolarHBondContact O-N 3.5Å; P135-Y137 VanDerWaalsContact O-N 3.14Å; P135-I138 HydrophobicContact CB-CB 4.09Å; P135-I138 HydrophobicContact CB-CD1 4.01Å; P135-I138 HydrophobicContact CB-CG1 3.93Å; P135-I138 HydrophobicContact CG-CB 4.23Å; P135-I138 HydrophobicContact CG-CD1 4.29Å; P135-I138 HydrophobicContact CG-CG1 4.44Å; P135-I138 PolarHBondContact O-N 2.9Å
136Y75.3Confident75.2Confident7 Ų743.2 Ų43.23%0.02725%0.249CC..THydrogen-bonded Turntrans-59.5-19.217057.1-89.4000112.8N134 I138 L158 V162 I1124 D1128 A1130N134-Y136 PolarHBondContact O-N 3.02Å; Y136-I138 VanDerWaalsContact C-N 3.31Å; Y136-L158 HydrophobicContact CD1-CD1 3.95Å; Y136-L158 HydrophobicContact CG-CD1 4.37Å; Y136-V162 HydrophobicContact CD1-CG2 4.34Å; Y136-V162 HydrophobicContact CE1-CG2 4.01Å; Y136-I1124 HydrophobicContact CD2-CG2 3.67Å; Y136-I1124 HydrophobicContact CE2-CG2 3.49Å; Y136-I1124 VanDerWaalsContact CE2-CG2 3.49Å; Y136-I1124 HydrophobicContact CG-CG2 4.32Å; Y136-D1128 PolarHBondContact OH-OD2 2.89Å; Y136-A1130 HydrophobicContact CE2-CB 4.37Å
137Y80.6Confident75.1Confident1 Ų142.4 Ų42.40%0.00425%0.246CC..THydrogen-bonded Turntrans-80.8-4.9174.257.1-91.2000113.7F130 S131 P135 A1130 F1132 Y1133 L1134F130-Y137 HydrophobicContact CD1-CE1 4.4Å; F130-Y137 AromaticContact CD1-CE2 3.95Å; F130-Y137 HydrophobicContact CD1-CE2 3.95Å; F130-Y137 AromaticContact CD1-CZ 3.79Å; F130-Y137 HydrophobicContact CE1-CE2 4.43Å; S131-Y137 PolarHBondContact O-OH 3.27Å; P135-Y137 HydrophobicContact CB-CD1 4.09Å; P135-Y137 HydrophobicContact CB-CD2 4.24Å; P135-Y137 HydrophobicContact CB-CE1 3.6Å; P135-Y137 HydrophobicContact CB-CE2 3.76Å; P135-Y137 HydrophobicContact CB-CG 4.37Å; P135-Y137 PolarHBondContact O-N 3.5Å; P135-Y137 VanDerWaalsContact O-N 3.14Å; Y137-A1130 HydrophobicContact CD1-CB 4.46Å; Y137-A1130 HydrophobicContact CG-CB 4.31Å; Y137-F1132 HydrophobicContact CD2-CE2 4.23Å; Y137-F1132 HydrophobicContact CE2-CE2 4.44Å; Y137-Y1133 WeakPolarHBondContact O-CA 3Å; Y137-L1134 PolarHBondContact O-N 3.38Å
138I84.3Confident75Confident19 Ų1938.2 Ų38.210%0.09722%0.217CC..EExtended strand (participates in β ladder)trans-120.7105.3175-54.2-179.3000109.6Q46 P135 Y136 L1134Q46-I138 HydrophobicContact CB-CD1 4.41Å; Q46-I138 HydrophobicContact CG-CD1 3.91Å; Q46-I138 HydrophobicContact CG-CG2 4.25Å; P135-I138 HydrophobicContact CB-CB 4.09Å; P135-I138 HydrophobicContact CB-CD1 4.01Å; P135-I138 HydrophobicContact CB-CG1 3.93Å; P135-I138 HydrophobicContact CG-CB 4.23Å; P135-I138 HydrophobicContact CG-CD1 4.29Å; P135-I138 HydrophobicContact CG-CG1 4.44Å; P135-I138 PolarHBondContact O-N 2.9Å; Y136-I138 VanDerWaalsContact C-N 3.31Å; I138-L1134 HydrophobicContact CD1-CD1 4.1Å; I138-L1134 HydrophobicContact CG1-CB 4.47Å; I138-L1134 HydrophobicContact CG1-CD1 3.92Å; I138-L1134 HydrophobicContact CG1-CG 4.4Å; I138-L1134 HydrophobicContact CG2-CB 4.36Å; I138-L1134 HydrophobicContact CG2-CD1 4.31Å
139V84.2Confident75.3Confident7 Ų740.7 Ų40.74%0.04223%0.232CC..EExtended strand (participates in β ladder)trans-103.4111.9178.7-173.70000109.5I144 I1121 L1134 F1135 D1136 I1138V139-I144 HydrophobicContact CG1-CB 3.77Å; V139-I144 HydrophobicContact CG1-CD1 3.98Å; V139-I144 HydrophobicContact CG1-CG1 3.9Å; V139-I1121 HydrophobicContact CG2-CD1 3.65Å; V139-L1134 PolarHBondContact N-O 3.39Å; V139-F1135 HydrophobicContact CB-CD1 3.91Å; V139-F1135 HydrophobicContact CB-CE1 4.49Å; V139-F1135 HydrophobicContact CG2-CD1 3.58Å; V139-F1135 HydrophobicContact CG2-CE1 3.67Å; V139-D1136 WeakPolarHBondContact O-CB 2.98Å; V139-D1136 PolarHBondContact O-N 2.97Å; V139-I1138 HydrophobicContact CB-CG2 4.21Å; V139-I1138 HydrophobicContact CG1-CG2 3.87Å
140K82.5Confident75.8Confident51 Ų5139.8 Ų39.822%0.22222%0.221CC..  trans-78.5153.3176.1-58.7-175.7179-171.70111.3Q46 E52 G142 K143Q46-K140 VanDerWaalsContact CD-CE 3.44Å; E52-K140 IonicContact OE1-NZ 2.72Å; E52-K140 PolarHBondContact OE1-NZ 2.97Å; E52-K140 WeakPolarHBondContact OE2-CE 3.33Å; E52-K140 IonicContact OE2-NZ 3.72Å; E52-K140 PolarHBondContact OE2-NZ 3.22Å; K140-G142 PolarHBondContact O-N 2.75Å; K140-K143 HydrophobicContact CB-CB 4.16Å; K140-K143 HydrophobicContact CB-CD 4.21Å; K140-K143 HydrophobicContact CB-CG 4.1Å; K140-K143 HydrophobicContact CD-CD 4.03Å; K140-K143 PolarHBondContact O-N 2.92Å; K140-K143 VanDerWaalsContact O-N 3.08Å
141Q79.9Confident76.2Confident106 Ų10642.6 Ų42.650%0.49524%0.239SC..THydrogen-bonded Turntrans-48.1128169.7-167.3-173.319.800111K143 E1137Q141-K143 PolarHBondContact O-N 3.43Å; Q141-E1137 HydrophobicContact CG-CB 4.4Å; Q141-E1137 PolarHBondContact NE2-OE2 3.47Å
142G75.3Confident77.2Confident63 Ų6343.8 Ų43.865%0.64925%0.245SC*.THydrogen-bonded Turntrans70.8-9.6177.800000116.5K140K140-G142 PolarHBondContact O-N 2.75Å
143K75.8Confident78.2Confident84 Ų8446.1 Ų46.137%0.36526%0.258SS..THydrogen-bonded Turntrans-89.5-5178.2-67.7-157.1-178-171.90114.2K140 Q141 T145 Q146K140-K143 HydrophobicContact CB-CB 4.16Å; K140-K143 HydrophobicContact CB-CD 4.21Å; K140-K143 HydrophobicContact CB-CG 4.1Å; K140-K143 HydrophobicContact CD-CD 4.03Å; K140-K143 PolarHBondContact O-N 2.92Å; K140-K143 VanDerWaalsContact O-N 3.08Å; Q141-K143 PolarHBondContact O-N 3.43Å; K143-T145 PolarHBondContact O-N 3.48Å; K143-Q146 VanDerWaalsContact O-CB 3.29Å; K143-Q146 WeakPolarHBondContact O-CB 3.35Å; K143-Q146 PolarHBondContact O-N 3.04Å
144I80.2Confident79.3Confident13 Ų1347.3 Ų47.37%0.06726%0.257CS..Hα-helixtrans-58.4-37-176.3-165.1157.7000113.2V139 Q146 A1117 L1118 I1138V139-I144 HydrophobicContact CG1-CB 3.77Å; V139-I144 HydrophobicContact CG1-CD1 3.98Å; V139-I144 HydrophobicContact CG1-CG1 3.9Å; I144-Q146 PolarHBondContact O-N 3.11Å; I144-A1117 HydrophobicContact CG1-CB 3.99Å; I144-A1117 WeakPolarHBondContact O-CB 3.46Å; I144-L1118 HydrophobicContact CD1-CD1 4.21Å; I144-L1118 HydrophobicContact CD1-CD2 3.58Å; I144-L1118 HydrophobicContact CD1-CG 3.58Å; I144-I1138 HydrophobicContact CD1-CB 3.72Å; I144-I1138 HydrophobicContact CD1-CG2 3.72Å
145T78.1Confident80.5Confident42 Ų4245.4 Ų45.426%0.25825%0.245SC..Hα-helixtrans-70-20.4179.755.60000113K143 L147 A148 T149 K1113 S1114K143-T145 PolarHBondContact O-N 3.48Å; T145-L147 VanDerWaalsContact C-N 3.32Å; T145-L147 PolarHBondContact O-N 3.26Å; T145-A148 PolarHBondContact O-N 3Å; T145-T149 WeakPolarHBondContact O-CB 3.24Å; T145-T149 PolarHBondContact O-N 3.38Å; T145-T149 PolarHBondContact O-OG1 3.46Å; T145-K1113 HydrophobicContact CG2-CB 4.2Å; T145-S1114 WeakPolarHBondContact CG2-OG 3.28Å
146Q79.4Confident81.5Confident107 Ų10744.9 Ų44.950%0.524%0.241SC..Hα-helixtrans-65.7-34.4-178.7-65.1-175.9-11.500111.9K143 I144 A148 T149 A150K143-Q146 VanDerWaalsContact O-CB 3.29Å; K143-Q146 WeakPolarHBondContact O-CB 3.35Å; K143-Q146 PolarHBondContact O-N 3.04Å; I144-Q146 PolarHBondContact O-N 3.11Å; Q146-A148 VanDerWaalsContact C-N 3.34Å; Q146-A148 PolarHBondContact O-N 3.1Å; Q146-T149 WeakPolarHBondContact CA-OG1 3.36Å; Q146-T149 PolarHBondContact O-N 3.22Å; Q146-A150 WeakPolarHBondContact O-CA 2.86Å; Q146-A150 WeakPolarHBondContact O-CB 3.2Å; Q146-A150 PolarHBondContact O-N 3.2Å
147L76.2Confident82Confident33 Ų3350.9 Ų50.917%0.17327%0.267CS..Hα-helixtrans-62.7-39.9176.3-97.6146.6000112.4T145 L158 A1117 I1121T145-L147 VanDerWaalsContact C-N 3.32Å; T145-L147 PolarHBondContact O-N 3.26Å; L147-L158 HydrophobicContact CD2-CD2 3.38Å; L147-A1117 HydrophobicContact CB-CB 4.47Å; L147-I1121 HydrophobicContact CD1-CD1 4.09Å; L147-I1121 HydrophobicContact CD1-CG1 4.23Å
148A76.2Confident82Confident0 Ų051.2 Ų51.20%027%0.269CS..Hα-helixtrans-78-36.817700000112.7T145 Q146 M1105 V1116 A1117T145-A148 PolarHBondContact O-N 3Å; Q146-A148 VanDerWaalsContact C-N 3.34Å; Q146-A148 PolarHBondContact O-N 3.1Å; A148-M1105 HydrophobicContact CB-SD 4.07Å; A148-M1105 WeakPolarHBondContact O-CG 3.46Å; A148-V1116 HydrophobicContact CB-CG1 4.29Å; A148-A1117 HydrophobicContact CB-CB 3.97Å
149T81.5Confident82.1Confident55 Ų5550.9 Ų50.934%0.33727%0.267SS..Hα-helixtrans-89-7.4-177.650.40000114.4T145 Q146 K1113T145-T149 WeakPolarHBondContact O-CB 3.24Å; T145-T149 PolarHBondContact O-N 3.38Å; T145-T149 PolarHBondContact O-OG1 3.46Å; Q146-T149 WeakPolarHBondContact CA-OG1 3.36Å; Q146-T149 PolarHBondContact O-N 3.22Å; T149-K1113 HydrophobicContact CG2-CD 4.12Å
150A83.5Confident82.1Confident15 Ų1553.4 Ų53.412%0.12428%0.276CS..SBendtrans-55.2146.6176.200000110.9Q146 Q154 R155Q146-A150 WeakPolarHBondContact O-CA 2.86Å; Q146-A150 WeakPolarHBondContact O-CB 3.2Å; Q146-A150 PolarHBondContact O-N 3.2Å; A150-Q154 HydrophobicContact CB-CB 4.29Å; A150-Q154 HydrophobicContact CB-CG 4.43Å; A150-R155 HydrophobicContact CB-CG 4.31Å; A150-R155 PolarHBondContact O-NE 3.08Å; A150-R155 PolarHBondContact O-NH2 3.38Å
151P86.6Confident82Confident62 Ų6252.1 Ų52.140%0.40327%0.271SS..  trans-53.2149.1172.8-25.133.6000112.2H153 Q154 R155P151-H153 WeakPolarHBondContact CB-CE1 3.38Å; P151-H153 WeakPolarHBondContact CB-ND1 3.45Å; P151-H153 PolarHBondContact O-N 2.81Å; P151-H153 VanDerWaalsContact O-N 3.12Å; P151-Q154 WeakPolarHBondContact O-CB 3.39Å; P151-Q154 PolarHBondContact O-N 2.88Å; P151-R155 PolarHBondContact O-N 3.14Å; P151-R155 VanDerWaalsContact O-N 3.11Å
152D88.4Confident82Confident40 Ų4047.8 Ų47.821%0.21425%0.252CS..Hα-helixtrans-56.5-34.1-176.9-62.7-21000112.8Q154 R155 L156 K1058 G1088 V1089D152-Q154 VanDerWaalsContact C-N 3.35Å; D152-R155 PolarHBondContact O-N 3.43Å; D152-R155 IonicContact OD1-CZ 3.06Å; D152-R155 IonicContact OD1-NH1 3.78Å; D152-R155 PolarHBondContact OD1-NH1 2.91Å; D152-R155 IonicContact OD1-NH2 2.97Å; D152-R155 PolarHBondContact OD1-NH2 2.78Å; D152-L156 PolarHBondContact O-N 2.8Å; D152-K1058 WeakPolarHBondContact OD2-CD 3.35Å; D152-K1058 WeakPolarHBondContact OD2-CE 3.29Å; D152-K1058 IonicContact OD2-NZ 3.83Å; D152-K1058 PolarHBondContact OD2-NZ 2.66Å; D152-G1088 CarbonylContact O-C 3.57Å; D152-G1088 WeakPolarHBondContact O-CA 3.48Å; D152-V1089 PolarHBondContact O-N 3.45Å
153H87.5Confident82.3Confident118 Ų11845.8 Ų45.855%0.54623%0.229SC..Hα-helixtrans-68.8-32.1176.972.9-95.6000112.6P151 L156 K157 I1087P151-H153 WeakPolarHBondContact CB-CE1 3.38Å; P151-H153 WeakPolarHBondContact CB-ND1 3.45Å; P151-H153 PolarHBondContact O-N 2.81Å; P151-H153 VanDerWaalsContact O-N 3.12Å; H153-L156 WeakPolarHBondContact O-CB 3.34Å; H153-L156 PolarHBondContact O-N 3.5Å; H153-K157 PolarHBondContact O-N 2.99Å; H153-I1087 WeakPolarHBondContact CA-O 3.41Å; H153-I1087 WeakPolarHBondContact CB-O 3.38Å
154Q85.5Confident82.4Confident88 Ų8844.4 Ų44.441%0.41124%0.239SC..Hα-helixtrans-76.3-34.7178.4-168.5166.65.700110.8A150 P151 D152 L156 K157 L158A150-Q154 HydrophobicContact CB-CB 4.29Å; A150-Q154 HydrophobicContact CB-CG 4.43Å; P151-Q154 WeakPolarHBondContact O-CB 3.39Å; P151-Q154 PolarHBondContact O-N 2.88Å; D152-Q154 VanDerWaalsContact C-N 3.35Å; Q154-L156 VanDerWaalsContact C-N 3.32Å; Q154-K157 WeakPolarHBondContact O-CB 3.46Å; Q154-K157 PolarHBondContact O-N 3.29Å; Q154-L158 PolarHBondContact O-N 3.42Å
155R85.5Confident82.4Confident25 Ų2544.2 Ų44.29%0.09424%0.238CC..Hα-helixtrans-63.4-37.7167.3-73.7-176.1-108.71281.1112.1A150 P151 D152 L158 L159 V1089A150-R155 HydrophobicContact CB-CG 4.31Å; A150-R155 PolarHBondContact O-NE 3.08Å; A150-R155 PolarHBondContact O-NH2 3.38Å; P151-R155 PolarHBondContact O-N 3.14Å; P151-R155 VanDerWaalsContact O-N 3.11Å; D152-R155 PolarHBondContact O-N 3.43Å; D152-R155 IonicContact OD1-CZ 3.06Å; D152-R155 IonicContact OD1-NH1 3.78Å; D152-R155 PolarHBondContact OD1-NH1 2.91Å; D152-R155 IonicContact OD1-NH2 2.97Å; D152-R155 PolarHBondContact OD1-NH2 2.78Å; R155-L158 PolarHBondContact O-N 3.47Å; R155-L159 PolarHBondContact O-N 2.91Å; R155-V1089 HydrophobicContact CB-CB 4.19Å; R155-V1089 PolarHBondContact NH1-O 2.95Å
156L86.2Confident82.3Confident7 Ų744.3 Ų44.34%0.03723%0.234CC..Hα-helixtrans-63.8-41.6171.3178.466.5000111.8D152 H153 Q154 L158 L159 R160 M1057 F1086 V1089D152-L156 PolarHBondContact O-N 2.8Å; H153-L156 WeakPolarHBondContact O-CB 3.34Å; H153-L156 PolarHBondContact O-N 3.5Å; Q154-L156 VanDerWaalsContact C-N 3.32Å; L156-L158 VanDerWaalsContact C-N 3.32Å; L156-L158 PolarHBondContact O-N 3.27Å; L156-L159 PolarHBondContact O-N 3.12Å; L156-R160 WeakPolarHBondContact O-CG 3.48Å; L156-R160 PolarHBondContact O-N 3.19Å; L156-M1057 HydrophobicContact CD1-CE 3.86Å; L156-F1086 HydrophobicContact CD1-CB 4.2Å; L156-F1086 HydrophobicContact CD2-CB 3.95Å; L156-F1086 WeakPolarHBondContact CD2-O 3.04Å; L156-V1089 HydrophobicContact CB-CG2 4.13Å; L156-V1089 HydrophobicContact CD1-CG2 4.08Å
157K83.9Confident82.1Confident132 Ų13242 Ų4257%0.57423%0.227SC*.Hα-helixtrans-60-43.1176-168.9176.5-178.4177.60111.5H153 Q154 R160 E161H153-K157 PolarHBondContact O-N 2.99Å; Q154-K157 WeakPolarHBondContact O-CB 3.46Å; Q154-K157 PolarHBondContact O-N 3.29Å; K157-R160 PolarHBondContact O-N 2.83Å; K157-E161 WeakPolarHBondContact O-CB 3.45Å; K157-E161 PolarHBondContact O-N 3.15Å
158L82.5Confident82.4Confident8 Ų843 Ų434%0.04223%0.229CC..Hα-helixtrans-60.3-47.2173.4177.368.1000111.7Y136 L147 Q154 R155 L156 R160 E161 V162 I1124Y136-L158 HydrophobicContact CD1-CD1 3.95Å; Y136-L158 HydrophobicContact CG-CD1 4.37Å; L147-L158 HydrophobicContact CD2-CD2 3.38Å; Q154-L158 PolarHBondContact O-N 3.42Å; R155-L158 PolarHBondContact O-N 3.47Å; L156-L158 VanDerWaalsContact C-N 3.32Å; L156-L158 PolarHBondContact O-N 3.27Å; L158-R160 VanDerWaalsContact C-N 3.31Å; L158-R160 PolarHBondContact O-N 2.65Å; L158-E161 WeakPolarHBondContact O-CB 3.47Å; L158-E161 PolarHBondContact O-N 3.26Å; L158-E161 VanDerWaalsContact O-N 3.11Å; L158-V162 WeakPolarHBondContact O-CG2 3.35Å; L158-V162 PolarHBondContact O-N 3.31Å; L158-I1124 HydrophobicContact CD2-CD1 3.9Å; L158-I1124 HydrophobicContact CG-CD1 4.37Å
159L85Confident82.6Confident12 Ų1245 Ų456%0.06324%0.24CC..Hα-helixtrans-61.2-39.7178.3-168.389.5000112R155 L156 E161 V162 A163 I1029 T1032 F1033 V1036 M1057 V1089R155-L159 PolarHBondContact O-N 2.91Å; L156-L159 PolarHBondContact O-N 3.12Å; L159-E161 VanDerWaalsContact C-N 3.28Å; L159-E161 PolarHBondContact O-N 3.11Å; L159-V162 PolarHBondContact O-N 3.49Å; L159-A163 WeakPolarHBondContact O-CB 3.39Å; L159-A163 PolarHBondContact O-N 3.41Å; L159-I1029 HydrophobicContact CD2-CG2 4.29Å; L159-T1032 HydrophobicContact CD1-CG2 4.5Å; L159-F1033 HydrophobicContact CD2-CB 4Å; L159-F1033 HydrophobicContact CD2-CD2 4.06Å; L159-V1036 HydrophobicContact CD1-CB 4.36Å; L159-V1036 HydrophobicContact CD1-CG1 4.45Å; L159-V1036 HydrophobicContact CD1-CG2 4.34Å; L159-M1057 HydrophobicContact CD2-CE 3.87Å; L159-V1089 HydrophobicContact CD2-CG2 4.27Å
160R84Confident82.5Confident61 Ų6147.5 Ų47.523%0.2325%0.247CC..Hα-helixtrans-63.7-34.8174.6-75.8-175.4-175-177.83.8112.4L156 K157 L158 A163 G164 T165 D169 I1029L156-R160 WeakPolarHBondContact O-CG 3.48Å; L156-R160 PolarHBondContact O-N 3.19Å; K157-R160 PolarHBondContact O-N 2.83Å; L158-R160 VanDerWaalsContact C-N 3.31Å; L158-R160 PolarHBondContact O-N 2.65Å; R160-A163 PolarHBondContact O-N 3.16Å; R160-G164 PolarHBondContact O-N 3.12Å; R160-T165 WeakPolarHBondContact CA-OG1 3.23Å; R160-T165 WeakPolarHBondContact CB-OG1 3.42Å; R160-T165 PolarHBondContact O-N 2.72Å; R160-T165 PolarHBondContact O-OG1 2.66Å; R160-D169 IonicContact NH1-OD2 2.83Å; R160-I1029 HydrophobicContact CG-CD1 4.14Å
161E80.3Confident82.4Confident24 Ų2454.3 Ų54.311%0.11227%0.27CS..Hα-helixtrans-70.2-43.2176.7-165.4163.7-163.700111.3S131 S133 N134 K157 L158 L159 A163 G164 R166S131-E161 WeakPolarHBondContact CB-OE1 3.49Å; S131-E161 PolarHBondContact OG-OE1 3.01Å; S133-E161 PolarHBondContact N-OE1 3.41Å; S133-E161 PolarHBondContact OG-OE1 3.37Å; N134-E161 WeakPolarHBondContact CB-OE2 3.34Å; N134-E161 PolarHBondContact N-OE1 2.97Å; K157-E161 WeakPolarHBondContact O-CB 3.45Å; K157-E161 PolarHBondContact O-N 3.15Å; L158-E161 WeakPolarHBondContact O-CB 3.47Å; L158-E161 PolarHBondContact O-N 3.26Å; L158-E161 VanDerWaalsContact O-N 3.11Å; L159-E161 VanDerWaalsContact C-N 3.28Å; L159-E161 PolarHBondContact O-N 3.11Å; E161-A163 VanDerWaalsContact C-N 3.3Å; E161-A163 PolarHBondContact O-N 3.39Å; E161-G164 PolarHBondContact O-N 3.07Å; E161-R166 IonicContact OE1-NH1 3.36Å
162V80.7Confident82.3Confident15 Ų1552.5 Ų52.59%0.09126%0.256CS..Hα-helixtrans-63-35.7172175.60000111.7Y136 L158 L159 G164 T1032 I1124 D1128Y136-V162 HydrophobicContact CD1-CG2 4.34Å; Y136-V162 HydrophobicContact CE1-CG2 4.01Å; L158-V162 WeakPolarHBondContact O-CG2 3.35Å; L158-V162 PolarHBondContact O-N 3.31Å; L159-V162 PolarHBondContact O-N 3.49Å; V162-G164 PolarHBondContact O-N 3.07Å; V162-T1032 HydrophobicContact CG1-CG2 3.97Å; V162-I1124 HydrophobicContact CG1-CG2 4.04Å; V162-I1124 HydrophobicContact CG2-CD1 4.42Å; V162-I1124 HydrophobicContact CG2-CG1 4.49Å; V162-I1124 HydrophobicContact CG2-CG2 3.64Å; V162-D1128 HydrophobicContact CG1-CB 4.03Å
163A80.8Confident81.9Confident21 Ų2155.3 Ų55.317%0.17427%0.267CS..THydrogen-bonded Turntrans-73.7-4.6173.800000113.4L159 R160 E161 T165 I1029 T1032L159-A163 WeakPolarHBondContact O-CB 3.39Å; L159-A163 PolarHBondContact O-N 3.41Å; R160-A163 PolarHBondContact O-N 3.16Å; E161-A163 VanDerWaalsContact C-N 3.3Å; E161-A163 PolarHBondContact O-N 3.39Å; A163-T165 VanDerWaalsContact C-N 3.27Å; A163-T165 HydrophobicContact CB-CG2 3.88Å; A163-T165 PolarHBondContact O-N 3.11Å; A163-I1029 HydrophobicContact CB-CG1 4.18Å; A163-T1032 HydrophobicContact CB-CG2 4.31Å
164G78.3Confident81.6Confident55 Ų5554.5 Ų54.557%0.56726%0.264SS*.THydrogen-bonded Turntrans70.317.4-179.700000114.9R160 E161 V162R160-G164 PolarHBondContact O-N 3.12Å; E161-G164 PolarHBondContact O-N 3.07Å; V162-G164 PolarHBondContact O-N 3.07Å
165T80Confident81.5Confident8 Ų853.2 Ų53.25%0.04927%0.265CS..  trans-87.7-10.9-168.4580000114.8R160 A163 Y168 D169 K1025 I1029R160-T165 WeakPolarHBondContact CA-OG1 3.23Å; R160-T165 WeakPolarHBondContact CB-OG1 3.42Å; R160-T165 PolarHBondContact O-N 2.72Å; R160-T165 PolarHBondContact O-OG1 2.66Å; A163-T165 VanDerWaalsContact C-N 3.27Å; A163-T165 HydrophobicContact CB-CG2 3.88Å; A163-T165 PolarHBondContact O-N 3.11Å; T165-Y168 WeakPolarHBondContact O-CB 3.05Å; T165-Y168 PolarHBondContact O-N 3.17Å; T165-D169 PolarHBondContact O-N 3.02Å; T165-K1025 HydrophobicContact CG2-CD 4.44Å; T165-K1025 HydrophobicContact CG2-CG 3.74Å; T165-I1029 HydrophobicContact CG2-CD1 4.25Å; T165-I1029 HydrophobicContact CG2-CG1 4.03Å
166R77.3Confident81.4Confident44 Ų4455.6 Ų55.617%0.16628%0.276CS..Hα-helixtrans-63.3-46.2-175.2-173.8-169.366.31691.8113.2E126 R132 S133 E161 Y168 D169 E170E126-R166 IonicContact OE1-CZ 3.91Å; E126-R166 IonicContact OE1-NH2 2.97Å; E126-R166 PolarHBondContact OE1-NH2 3.48Å; R132-R166 VanDerWaalsContact CD-NH2 3.3Å; S133-R166 PolarHBondContact OG-NH1 3.2Å; E161-R166 IonicContact OE1-NH1 3.36Å; R166-Y168 PolarHBondContact O-N 3.43Å; R166-D169 PolarHBondContact O-N 3.48Å; R166-D169 VanDerWaalsContact O-N 3.13Å; R166-E170 PolarHBondContact O-N 2.89Å
167V75.3Confident81.3Confident60 Ų6061.7 Ų61.736%0.36430%0.304SS..Hα-helixtrans-61-38-179.5178.30000110.5E126 R171E126-V167 VanDerWaalsContact OE1-CG2 3.31Å; E126-V167 WeakPolarHBondContact OE1-CG2 3.34Å; V167-R171 WeakPolarHBondContact O-CB 3.17Å; V167-R171 VanDerWaalsContact O-CG 3.28Å; V167-R171 WeakPolarHBondContact O-CG 3.44Å; V167-R171 PolarHBondContact O-N 2.93Å; V167-R171 VanDerWaalsContact O-N 3.08Å
168Y81.8Confident81.3Confident52 Ų5260.4 Ų60.420%0.20430%0.303CS..Hα-helixtrans-65-45174.5174-95.7000112T165 R166 E170 R171 K172 M1018 L1021 D1022 K1025T165-Y168 WeakPolarHBondContact O-CB 3.05Å; T165-Y168 PolarHBondContact O-N 3.17Å; R166-Y168 PolarHBondContact O-N 3.43Å; Y168-E170 PolarHBondContact O-N 3.47Å; Y168-R171 PolarHBondContact O-N 3.15Å; Y168-K172 HydrophobicContact CE1-CD 4.04Å; Y168-K172 WeakPolarHBondContact O-CB 3.36Å; Y168-K172 PolarHBondContact O-N 3.17Å; Y168-M1018 PolarHBondContact OH-O 3.44Å; Y168-L1021 HydrophobicContact CE2-CB 3.56Å; Y168-L1021 HydrophobicContact CE2-CD1 3.84Å; Y168-L1021 HydrophobicContact CE2-CG 4.21Å; Y168-L1021 WeakPolarHBondContact OH-CB 3.43Å; Y168-D1022 PolarHBondContact OH-OD1 2.79Å; Y168-K1025 HydrophobicContact CD1-CD 3.79Å; Y168-K1025 HydrophobicContact CE1-CD 3.94Å
169D80.1Confident81.4Confident44 Ų4462.3 Ų62.324%0.23531%0.311CS..Hα-helixtrans-60.9-42.3178.2-76.5-18.3000111.8R160 T165 R166 K172 E173 K1025R160-D169 IonicContact NH1-OD2 2.83Å; T165-D169 PolarHBondContact O-N 3.02Å; R166-D169 PolarHBondContact O-N 3.48Å; R166-D169 VanDerWaalsContact O-N 3.13Å; D169-K172 PolarHBondContact O-N 3.27Å; D169-E173 PolarHBondContact O-N 3.09Å; D169-E173 VanDerWaalsContact O-N 3.15Å; D169-K1025 IonicContact OD1-NZ 2.86Å; D169-K1025 PolarHBondContact OD1-NZ 3.2Å
170E79.9Confident81.3Confident106 Ų10669.4 Ų69.450%0.49534%0.341SS..Hα-helixtrans-62.2-49175.4-74.3175.6-179.300111.8R166 Y168 K172 E173 E174R166-E170 PolarHBondContact O-N 2.89Å; Y168-E170 PolarHBondContact O-N 3.47Å; E170-K172 VanDerWaalsContact C-N 3.31Å; E170-K172 PolarHBondContact O-N 3.35Å; E170-E173 PolarHBondContact O-N 2.81Å; E170-E174 PolarHBondContact O-N 3.18Å
171R80.6Confident81.4Confident159 Ų15972.6 Ų72.660%0.636%0.358SS*.Hα-helixtrans-64.9-32.9177.8-70.4-63.5-166.8-1793.8113.3V167 Y168 E174 S175V167-R171 WeakPolarHBondContact O-CB 3.17Å; V167-R171 VanDerWaalsContact O-CG 3.28Å; V167-R171 WeakPolarHBondContact O-CG 3.44Å; V167-R171 PolarHBondContact O-N 2.93Å; V167-R171 VanDerWaalsContact O-N 3.08Å; Y168-R171 PolarHBondContact O-N 3.15Å; R171-E174 WeakPolarHBondContact CD-OE2 3.43Å; R171-E174 IonicContact CZ-OE2 3.9Å; R171-E174 IonicContact NH1-OE2 3Å; R171-E174 PolarHBondContact NH1-OE2 3.43Å; R171-S175 WeakPolarHBondContact O-CB 3.5Å; R171-S175 PolarHBondContact O-N 3.05Å; R171-S175 PolarHBondContact O-OG 3.4Å
172K83.9Confident81.4Confident24 Ų2474.1 Ų74.110%0.10437%0.372CS..Hα-helixtrans-65.2-42.7176.8-174.9-174.8-176.4-1780110.7Y168 D169 E170 S175 K176 M1018 D1022Y168-K172 HydrophobicContact CE1-CD 4.04Å; Y168-K172 WeakPolarHBondContact O-CB 3.36Å; Y168-K172 PolarHBondContact O-N 3.17Å; D169-K172 PolarHBondContact O-N 3.27Å; E170-K172 VanDerWaalsContact C-N 3.31Å; E170-K172 PolarHBondContact O-N 3.35Å; K172-S175 PolarHBondContact O-N 3.18Å; K172-K176 WeakPolarHBondContact O-CG 3.27Å; K172-K176 PolarHBondContact O-N 3.34Å; K172-M1018 HydrophobicContact CD-CE 4.47Å; K172-M1018 HydrophobicContact CG-CE 3.88Å; K172-D1022 WeakPolarHBondContact CE-OD2 3.45Å; K172-D1022 IonicContact NZ-OD1 3.5Å; K172-D1022 PolarHBondContact NZ-OD1 3.29Å; K172-D1022 IonicContact NZ-OD2 3.01Å; K172-D1022 PolarHBondContact NZ-OD2 3.35Å
173E81.8Confident81.5Confident98 Ų9877.8 Ų77.846%0.45839%0.388SS..Hα-helixtrans-67.4-41.8179.6-162.359.3-151.800111.6D169 E170 S175 K176 Q177D169-E173 PolarHBondContact O-N 3.09Å; D169-E173 VanDerWaalsContact O-N 3.15Å; E170-E173 PolarHBondContact O-N 2.81Å; E173-S175 VanDerWaalsContact C-N 3.3Å; E173-S175 PolarHBondContact O-N 2.74Å; E173-K176 PolarHBondContact O-N 3.31Å; E173-K176 IonicContact OE2-NZ 3.6Å; E173-K176 PolarHBondContact OE2-NZ 2.92Å; E173-Q177 PolarHBondContact O-N 2.94Å
174E81Confident81.6Confident102 Ų10279.1 Ų79.148%0.47740%0.399SS..Hα-helixtrans-55.8-45.8169.5-68.8178.2169.400111.3E170 R171 K176 Q177 I178E170-E174 PolarHBondContact O-N 3.18Å; R171-E174 WeakPolarHBondContact CD-OE2 3.43Å; R171-E174 IonicContact CZ-OE2 3.9Å; R171-E174 IonicContact NH1-OE2 3Å; R171-E174 PolarHBondContact NH1-OE2 3.43Å; E174-K176 PolarHBondContact O-N 3.49Å; E174-Q177 PolarHBondContact O-N 3.31Å; E174-I178 PolarHBondContact O-N 2.75Å
175S83.4Confident81.6Confident61 Ų6182.8 Ų82.843%0.42740%0.4SS..Hα-helixtrans-67.5-34.8-179.3-580000113R171 K172 E173 Q177 I178 F179R171-S175 WeakPolarHBondContact O-CB 3.5Å; R171-S175 PolarHBondContact O-N 3.05Å; R171-S175 PolarHBondContact O-OG 3.4Å; K172-S175 PolarHBondContact O-N 3.18Å; E173-S175 VanDerWaalsContact C-N 3.3Å; E173-S175 PolarHBondContact O-N 2.74Å; S175-Q177 VanDerWaalsContact C-N 3.33Å; S175-Q177 PolarHBondContact O-N 2.85Å; S175-I178 PolarHBondContact O-N 3.11Å; S175-F179 WeakPolarHBondContact O-CB 3.26Å; S175-F179 PolarHBondContact O-N 3.34Å
176K83.2Confident81.6Confident75 Ų7586 Ų8633%0.32641%0.411SS..Hα-helixtrans-62.7-37.9175.4-79.7179-176.21720112K172 E173 E174 F179 K180 M1018K172-K176 WeakPolarHBondContact O-CG 3.27Å; K172-K176 PolarHBondContact O-N 3.34Å; E173-K176 PolarHBondContact O-N 3.31Å; E173-K176 IonicContact OE2-NZ 3.6Å; E173-K176 PolarHBondContact OE2-NZ 2.92Å; E174-K176 PolarHBondContact O-N 3.49Å; K176-F179 WeakPolarHBondContact O-CB 3.37Å; K176-F179 PolarHBondContact O-N 3.27Å; K176-K180 PolarHBondContact O-N 3.36Å; K176-M1018 HydrophobicContact CG-CE 4.37Å
177Q84.5Confident81.9Confident134 Ų13490.2 Ų90.263%0.62643%0.432SS*.Hα-helixtrans-63.4-46.7176.4-68.9-169.10.200111.3E173 E174 S175 F179 K180 E181E173-Q177 PolarHBondContact O-N 2.94Å; E174-Q177 PolarHBondContact O-N 3.31Å; S175-Q177 VanDerWaalsContact C-N 3.33Å; S175-Q177 PolarHBondContact O-N 2.85Å; Q177-F179 VanDerWaalsContact C-N 3.26Å; Q177-F179 PolarHBondContact O-N 2.8Å; Q177-K180 WeakPolarHBondContact O-CB 3.16Å; Q177-K180 PolarHBondContact O-N 3.47Å; Q177-E181 PolarHBondContact O-N 3.2Å
178I83.3Confident82.1Confident106 Ų10693.5 Ų93.554%0.54444%0.444SS..Hα-helixtrans-62-36.7176.1-60.2169.9000111E174 S175 E181 S182E174-I178 PolarHBondContact O-N 2.75Å; S175-I178 PolarHBondContact O-N 3.11Å; I178-E181 PolarHBondContact O-N 2.83Å; I178-S182 PolarHBondContact O-N 2.91Å; I178-S182 VanDerWaalsContact O-N 3.11Å; I178-S182 PolarHBondContact O-OG 2.65Å
179F84.6Confident82Confident48 Ų4894.6 Ų94.621%0.21145%0.452CS..Hα-helixtrans-63.5-44176.9-167.8-90.1000112S175 K176 Q177 E181 S182 E183 C1011 K1015S175-F179 WeakPolarHBondContact O-CB 3.26Å; S175-F179 PolarHBondContact O-N 3.34Å; K176-F179 WeakPolarHBondContact O-CB 3.37Å; K176-F179 PolarHBondContact O-N 3.27Å; Q177-F179 VanDerWaalsContact C-N 3.26Å; Q177-F179 PolarHBondContact O-N 2.8Å; F179-E181 VanDerWaalsContact C-N 3.34Å; F179-E181 PolarHBondContact O-N 3.18Å; F179-S182 WeakPolarHBondContact O-CB 3.4Å; F179-S182 PolarHBondContact O-N 3.04Å; F179-S182 VanDerWaalsContact O-N 3.1Å; F179-E183 PolarHBondContact O-N 2.85Å; F179-C1011 VanDerWaalsContact CE2-SG 3.54Å; F179-C1011 WeakPolarHBondContact CZ-SG 3.14Å; F179-K1015 HydrophobicContact CE2-CG 4.45Å; F179-K1015 HydrophobicContact CZ-CD 4.45Å; F179-K1015 HydrophobicContact CZ-CG 4.35Å
180K83.5Confident82.1Confident160 Ų16094.2 Ų94.270%0.69645%0.453SS*.Hα-helixtrans-60.6-42177.5-170-179.8-179.5-178.60112.2K176 Q177 S182 E183 A184K176-K180 PolarHBondContact O-N 3.36Å; Q177-K180 WeakPolarHBondContact O-CB 3.16Å; Q177-K180 PolarHBondContact O-N 3.47Å; K180-S182 VanDerWaalsContact C-N 3.29Å; K180-S182 PolarHBondContact O-N 3.3Å; K180-E183 PolarHBondContact O-N 2.85Å; K180-A184 PolarHBondContact O-N 2.79Å
181E84.3Confident82.3Confident128 Ų12895.1 Ų95.160%0.59846%0.457SS*.Hα-helixtrans-64.2-35.4174.8-67.5-177.8176.700112.5Q177 I178 F179Q177-E181 PolarHBondContact O-N 3.2Å; I178-E181 PolarHBondContact O-N 2.83Å; F179-E181 VanDerWaalsContact C-N 3.34Å; F179-E181 PolarHBondContact O-N 3.18Å
182S81Confident82.1Confident57 Ų5792.7 Ų92.740%0.39946%0.455SS..Hα-helixtrans-73.4-33.4178.6-58.30000112.5I178 F179 K180 K185 R186I178-S182 PolarHBondContact O-N 2.91Å; I178-S182 VanDerWaalsContact O-N 3.11Å; I178-S182 PolarHBondContact O-OG 2.65Å; F179-S182 WeakPolarHBondContact O-CB 3.4Å; F179-S182 PolarHBondContact O-N 3.04Å; F179-S182 VanDerWaalsContact O-N 3.1Å; K180-S182 VanDerWaalsContact C-N 3.29Å; K180-S182 PolarHBondContact O-N 3.3Å; S182-K185 PolarHBondContact O-N 3.13Å; S182-R186 PolarHBondContact O-N 2.77Å
183E83.7Confident82.1Confident91 Ų9192.2 Ų92.243%0.42545%0.454SS..Hα-helixtrans-67.9-43.2178.4-158.1165.8-140.800111.8F179 K180 K185 R186 E187F179-E183 PolarHBondContact O-N 2.85Å; K180-E183 PolarHBondContact O-N 2.85Å; E183-K185 VanDerWaalsContact C-N 3.26Å; E183-K185 PolarHBondContact O-N 2.82Å; E183-R186 WeakPolarHBondContact O-CB 3.47Å; E183-R186 PolarHBondContact O-N 3.35Å; E183-E187 PolarHBondContact O-N 3.14Å; E183-E187 VanDerWaalsContact O-N 3.1Å
184A82.8Confident82.2Confident50 Ų5092.1 Ų92.141%0.41346%0.457SS..Hα-helixtrans-57.7-37.8173.400000112.7K180 E187 Q188K180-A184 PolarHBondContact O-N 2.79Å; A184-E187 PolarHBondContact O-N 3.46Å; A184-Q188 PolarHBondContact O-N 3.33Å
185K77.1Confident82.2Confident132 Ų13290.5 Ų90.557%0.57446%0.456SS*.Hα-helixtrans-69.1-32.9175.4-68.8177-176.9172.20112.7S182 E183 I189S182-K185 PolarHBondContact O-N 3.13Å; E183-K185 VanDerWaalsContact C-N 3.26Å; E183-K185 PolarHBondContact O-N 2.82Å; K185-I189 WeakPolarHBondContact O-CG1 3.45Å; K185-I189 PolarHBondContact O-N 3.25Å
186R81.3Confident82.1Confident76 Ų7689.2 Ų89.229%0.28745%0.445SS..Hα-helixtrans-70.6-33.6176.5-76.9175.967.2-153.10.1112.6S182 E183 I189 S190 D1008 C1011S182-R186 PolarHBondContact O-N 2.77Å; E183-R186 WeakPolarHBondContact O-CB 3.47Å; E183-R186 PolarHBondContact O-N 3.35Å; R186-I189 PolarHBondContact O-N 2.98Å; R186-S190 PolarHBondContact O-N 3.29Å; R186-S190 PolarHBondContact O-OG 3.15Å; R186-D1008 IonicContact CZ-OD1 2.7Å; R186-D1008 VanDerWaalsContact CZ-OD1 3.23Å; R186-D1008 IonicContact NE-OD1 3.69Å; R186-D1008 PolarHBondContact NE-OD1 3.05Å; R186-D1008 VanDerWaalsContact NE-OD1 3.16Å; R186-D1008 IonicContact NH2-OD1 3.63Å; R186-D1008 PolarHBondContact NH2-OD1 3.37Å; R186-C1011 PolarHBondContact NH1-SG 3.38Å
187E83.6Confident82.1Confident131 Ų13188.9 Ų88.961%0.61244%0.444SS*.Hα-helixtrans-62-49.1174.7-169.8169.3-162.800110.7E183 A184 I189 S190 E191E183-E187 PolarHBondContact O-N 3.14Å; E183-E187 VanDerWaalsContact O-N 3.1Å; A184-E187 PolarHBondContact O-N 3.46Å; E187-I189 VanDerWaalsContact C-N 3.3Å; E187-I189 PolarHBondContact O-N 3.47Å; E187-S190 WeakPolarHBondContact O-CA 3.28Å; E187-S190 WeakPolarHBondContact O-CB 3.45Å; E187-S190 PolarHBondContact O-N 3.35Å; E187-E191 PolarHBondContact O-N 3.13Å
188Q77.8Confident82.1Confident130 Ų13087.2 Ų87.261%0.60744%0.439SS*.Hα-helixtrans-56.9-40.4175-67.5176-11.300113.1A184 S190 L192A184-Q188 PolarHBondContact O-N 3.33Å; Q188-S190 VanDerWaalsContact C-N 3.31Å; Q188-S190 PolarHBondContact O-N 3.36Å; Q188-L192 PolarHBondContact O-N 3.4Å
189I80.3Confident82Confident75 Ų7588.6 Ų88.639%0.38544%0.438SS..Hα-helixtrans-65.9-35.6176.3-68.1167.2000111.3K185 R186 E187 L192 L193K185-I189 WeakPolarHBondContact O-CG1 3.45Å; K185-I189 PolarHBondContact O-N 3.25Å; R186-I189 PolarHBondContact O-N 2.98Å; E187-I189 VanDerWaalsContact C-N 3.3Å; E187-I189 PolarHBondContact O-N 3.47Å; I189-L192 PolarHBondContact O-N 3.11Å; I189-L193 HydrophobicContact CG2-CD1 4.34Å; I189-L193 PolarHBondContact O-N 3.06Å; I189-L193 VanDerWaalsContact O-N 3.08Å
190S82.8Confident81.9Confident35 Ų3587 Ų8725%0.24543%0.431CS..Hα-helixtrans-71.6-38.8179.7-61.40000112.1R186 E187 Q188 L192 L193 N194R186-S190 PolarHBondContact O-N 3.29Å; R186-S190 PolarHBondContact O-OG 3.15Å; E187-S190 WeakPolarHBondContact O-CA 3.28Å; E187-S190 WeakPolarHBondContact O-CB 3.45Å; E187-S190 PolarHBondContact O-N 3.35Å; Q188-S190 VanDerWaalsContact C-N 3.31Å; Q188-S190 PolarHBondContact O-N 3.36Å; S190-L192 VanDerWaalsContact C-N 3.34Å; S190-L192 PolarHBondContact O-N 3.48Å; S190-L193 PolarHBondContact O-N 3.3Å; S190-N194 PolarHBondContact O-N 3.49Å
191E83.8Confident81.9Confident126 Ų12687 Ų8759%0.58943%0.427SS*.Hα-helixtrans-59.3-44.5171.5-69.4-177.9163.400111.7E187 L193 N194 S195E187-E191 PolarHBondContact O-N 3.13Å; E191-L193 PolarHBondContact O-N 3.03Å; E191-N194 PolarHBondContact O-N 3.29Å; E191-S195 PolarHBondContact O-N 3.16Å
192L77Confident81.9Confident107 Ų10783.7 Ų83.756%0.5642%0.416SS*.Hα-helixtrans-62.6-41.2177.5-166.173.6000111.9Q188 I189 S190 S195 I196Q188-L192 PolarHBondContact O-N 3.4Å; I189-L192 PolarHBondContact O-N 3.11Å; S190-L192 VanDerWaalsContact C-N 3.34Å; S190-L192 PolarHBondContact O-N 3.48Å; L192-S195 PolarHBondContact O-N 3.29Å; L192-S195 PolarHBondContact O-OG 3.15Å; L192-I196 PolarHBondContact O-N 3.31Å
193L83Confident82Confident15 Ų1581 Ų818%0.07940%0.397CS..Hα-helixtrans-64.2-40.7176.6-81.4168.4000112.8I189 S190 E191 S195 I196 E197 L1000 K1004I189-L193 HydrophobicContact CG2-CD1 4.34Å; I189-L193 PolarHBondContact O-N 3.06Å; I189-L193 VanDerWaalsContact O-N 3.08Å; S190-L193 PolarHBondContact O-N 3.3Å; E191-L193 PolarHBondContact O-N 3.03Å; L193-S195 VanDerWaalsContact C-N 3.28Å; L193-S195 PolarHBondContact O-N 3.45Å; L193-I196 WeakPolarHBondContact O-CB 3.49Å; L193-I196 PolarHBondContact O-N 2.96Å; L193-I196 VanDerWaalsContact O-N 3.12Å; L193-E197 WeakPolarHBondContact O-CG 3.41Å; L193-E197 PolarHBondContact O-N 3.25Å; L193-L1000 HydrophobicContact CD2-CB 3.97Å; L193-K1004 HydrophobicContact CD1-CB 4.42Å; L193-K1004 HydrophobicContact CD1-CD 3.62Å; L193-K1004 HydrophobicContact CD1-CG 4.46Å
194N85.1Confident81.8Confident96 Ų9680.4 Ų80.451%0.51339%0.394SS..Hα-helixtrans-59.8-40.9176-72.2-18.2000111.3S190 E191 I196 E197 D198S190-N194 PolarHBondContact O-N 3.49Å; E191-N194 PolarHBondContact O-N 3.29Å; N194-I196 VanDerWaalsContact C-N 3.27Å; N194-I196 PolarHBondContact O-N 3.1Å; N194-E197 PolarHBondContact O-N 3.06Å; N194-E197 VanDerWaalsContact O-N 3.16Å; N194-D198 PolarHBondContact O-N 3.09Å; N194-D198 VanDerWaalsContact O-N 3.07Å
195S81Confident81.8Confident67 Ų6782.3 Ų82.347%0.46940%0.397SS..Hα-helixtrans-61.1-34.8176.181.20000113.1E191 L192 L193 R199E191-S195 PolarHBondContact O-N 3.16Å; L192-S195 PolarHBondContact O-N 3.29Å; L192-S195 PolarHBondContact O-OG 3.15Å; L193-S195 VanDerWaalsContact C-N 3.28Å; L193-S195 PolarHBondContact O-N 3.45Å; S195-R199 PolarHBondContact O-N 3.17Å
196I81.3Confident81.9Confident35 Ų3578.5 Ų78.518%0.17938%0.381CS..Hα-helixtrans-72.7-37.8176.3-64.5170.3000110.9L192 L193 N194 R199 L200 K997 L1000L192-I196 PolarHBondContact O-N 3.31Å; L193-I196 WeakPolarHBondContact O-CB 3.49Å; L193-I196 PolarHBondContact O-N 2.96Å; L193-I196 VanDerWaalsContact O-N 3.12Å; N194-I196 VanDerWaalsContact C-N 3.27Å; N194-I196 PolarHBondContact O-N 3.1Å; I196-R199 PolarHBondContact O-N 3.34Å; I196-L200 HydrophobicContact CG2-CD1 4.32Å; I196-L200 PolarHBondContact O-N 3.23Å; I196-L200 VanDerWaalsContact O-N 3.07Å; I196-K997 HydrophobicContact CG2-CB 4.22Å; I196-L1000 HydrophobicContact CD1-CD1 3.93Å
197E83.2Confident81.7Confident67 Ų6776.3 Ų76.331%0.31338%0.377SS..Hα-helixtrans-63.7-44.1176.6-65.3-150.4140.700112.8L193 N194 R199 L200 R201 K997L193-E197 WeakPolarHBondContact O-CG 3.41Å; L193-E197 PolarHBondContact O-N 3.25Å; N194-E197 PolarHBondContact O-N 3.06Å; N194-E197 VanDerWaalsContact O-N 3.16Å; E197-R199 PolarHBondContact O-N 2.83Å; E197-L200 PolarHBondContact O-N 3.21Å; E197-R201 PolarHBondContact O-N 3.19Å; E197-K997 VanDerWaalsContact OE1-CE 3.3Å; E197-K997 WeakPolarHBondContact OE1-CE 3.44Å; E197-K997 IonicContact OE1-NZ 2.77Å; E197-K997 PolarHBondContact OE1-NZ 3.09Å
198D84.8Confident81.6Confident99 Ų9975.3 Ų75.353%0.52937%0.37SS..Hα-helixtrans-59.9-39.8176.6-75.8-24.6000110.9N194 R201 T202N194-D198 PolarHBondContact O-N 3.09Å; N194-D198 VanDerWaalsContact O-N 3.07Å; D198-R201 PolarHBondContact O-N 3.43Å; D198-T202 PolarHBondContact O-N 2.77Å
199R79.1Confident81.7Confident135 Ų13573 Ų7351%0.50936%0.359SS..Hα-helixtrans-64.5-41.3175.8-168.460.9176.8166.62.5112.6S195 I196 E197 T202 L203S195-R199 PolarHBondContact O-N 3.17Å; I196-R199 PolarHBondContact O-N 3.34Å; E197-R199 PolarHBondContact O-N 2.83Å; R199-T202 PolarHBondContact O-N 3.09Å; R199-T202 PolarHBondContact O-OG1 3.44Å; R199-L203 PolarHBondContact O-N 3.23Å
200L83.7Confident81.6Confident15 Ų1571.1 Ų71.18%0.07935%0.35CS..Hα-helixtrans-65.8-37.3177.5-79165.2000113.1I196 E197 T202 L203 E204 F990 H993 K997I196-L200 HydrophobicContact CG2-CD1 4.32Å; I196-L200 PolarHBondContact O-N 3.23Å; I196-L200 VanDerWaalsContact O-N 3.07Å; E197-L200 PolarHBondContact O-N 3.21Å; L200-T202 VanDerWaalsContact C-N 3.32Å; L200-T202 PolarHBondContact O-N 2.94Å; L200-L203 PolarHBondContact O-N 3.02Å; L200-E204 PolarHBondContact O-N 3.39Å; L200-F990 HydrophobicContact CD2-CD2 4.29Å; L200-H993 HydrophobicContact CD2-CB 3.84Å; L200-H993 HydrophobicContact CG-CB 4.43Å; L200-K997 HydrophobicContact CD1-CB 4.09Å; L200-K997 HydrophobicContact CD1-CD 3.37Å; L200-K997 HydrophobicContact CD1-CG 4.31Å
201R84Confident81.3Confident160 Ų16076.8 Ų76.860%0.60437%0.37SS*.Hα-helixtrans-61.9-39.8174.5-74.2180177.5178.32.5112.1E197 D198 E204 N205E197-R201 PolarHBondContact O-N 3.19Å; D198-R201 PolarHBondContact O-N 3.43Å; R201-E204 PolarHBondContact O-N 2.82Å; R201-N205 PolarHBondContact O-N 3.27Å
202T83.9Confident81.1Confident59 Ų5975 Ų7536%0.36236%0.362SS..Hα-helixtrans-62.8-43.9175.559.40000111.7D198 R199 L200 E204 N205 E206D198-T202 PolarHBondContact O-N 2.77Å; R199-T202 PolarHBondContact O-N 3.09Å; R199-T202 PolarHBondContact O-OG1 3.44Å; L200-T202 VanDerWaalsContact C-N 3.32Å; L200-T202 PolarHBondContact O-N 2.94Å; T202-E204 PolarHBondContact O-N 3.45Å; T202-N205 PolarHBondContact O-N 2.6Å; T202-E206 WeakPolarHBondContact O-CG 3.39Å; T202-E206 PolarHBondContact O-N 3.47Å
203L82.9Confident81.3Confident1 Ų173.9 Ų73.91%0.00535%0.351CS..Hα-helixtrans-65.4-36.8177.5-70.8168.2000112.7R199 L200 N205 E206 T207 Q989 F990R199-L203 PolarHBondContact O-N 3.23Å; L200-L203 PolarHBondContact O-N 3.02Å; L203-N205 PolarHBondContact O-N 2.77Å; L203-E206 PolarHBondContact O-N 3.23Å; L203-T207 WeakPolarHBondContact O-CG2 3.48Å; L203-T207 PolarHBondContact O-N 2.87Å; L203-T207 VanDerWaalsContact O-N 3.11Å; L203-Q989 HydrophobicContact CD1-CB 4.1Å; L203-Q989 HydrophobicContact CD2-CB 3.87Å; L203-F990 HydrophobicContact CB-CB 4.36Å; L203-F990 HydrophobicContact CB-CD2 4.17Å
204E79.9Confident81Confident78 Ų7879 Ų7936%0.36437%0.374SS..Hα-helixtrans-62-44.1177.3-166.1-164.9151.200111.8L200 R201 T202 E206 T207 K208 F990L200-E204 PolarHBondContact O-N 3.39Å; R201-E204 PolarHBondContact O-N 2.82Å; T202-E204 PolarHBondContact O-N 3.45Å; E204-E206 VanDerWaalsContact C-N 3.33Å; E204-E206 PolarHBondContact O-N 3.42Å; E204-T207 PolarHBondContact O-N 2.79Å; E204-T207 PolarHBondContact O-OG1 3.31Å; E204-K208 PolarHBondContact O-N 3.31Å; E204-K208 WeakPolarHBondContact OE1-CE 3.49Å; E204-K208 IonicContact OE1-NZ 3.31Å; E204-K208 PolarHBondContact OE1-NZ 3.28Å; E204-F990 HydrophobicContact CB-CE2 4.04Å; E204-F990 HydrophobicContact CG-CE2 4.34Å
205N81.6Confident80.7Confident90 Ų9079.3 Ų79.348%0.48137%0.372SS..Hα-helixtrans-62.1-42.8177.2-72.6-26.3000111.4R201 T202 L203 T207 K208 E209R201-N205 PolarHBondContact O-N 3.27Å; T202-N205 PolarHBondContact O-N 2.6Å; L203-N205 PolarHBondContact O-N 2.77Å; N205-T207 VanDerWaalsContact C-N 3.25Å; N205-T207 PolarHBondContact O-N 3.26Å; N205-K208 PolarHBondContact O-N 3.34Å; N205-K208 VanDerWaalsContact O-N 3.09Å; N205-E209 WeakPolarHBondContact O-CG 3.26Å; N205-E209 PolarHBondContact O-N 3.21Å; N205-E209 VanDerWaalsContact O-N 3.15Å
206E80.9Confident80.7Confident51 Ų5178.2 Ų78.224%0.23836%0.358CS..Hα-helixtrans-59.7-33.5175.6-67.8175-179.500112.5T202 L203 E204 L210 N983 A986T202-E206 WeakPolarHBondContact O-CG 3.39Å; T202-E206 PolarHBondContact O-N 3.47Å; L203-E206 PolarHBondContact O-N 3.23Å; E204-E206 VanDerWaalsContact C-N 3.33Å; E204-E206 PolarHBondContact O-N 3.42Å; E206-L210 PolarHBondContact O-N 3.15Å; E206-N983 HydrophobicContact CB-CB 4.21Å; E206-N983 HydrophobicContact CG-CB 4.3Å; E206-N983 WeakPolarHBondContact OE2-CB 3.44Å; E206-N983 PolarHBondContact OE2-ND2 3.49Å; E206-A986 HydrophobicContact CB-CB 3.69Å
207T76.2Confident80.5Confident30 Ų3078 Ų7818%0.18436%0.357CS..Hα-helixtrans-70.5-31.817567.50000114L203 E204 N205 L210 A986L203-T207 WeakPolarHBondContact O-CG2 3.48Å; L203-T207 PolarHBondContact O-N 2.87Å; L203-T207 VanDerWaalsContact O-N 3.11Å; E204-T207 PolarHBondContact O-N 2.79Å; E204-T207 PolarHBondContact O-OG1 3.31Å; N205-T207 VanDerWaalsContact C-N 3.25Å; N205-T207 PolarHBondContact O-N 3.26Å; T207-L210 WeakPolarHBondContact O-CB 3.43Å; T207-L210 PolarHBondContact O-N 3.31Å; T207-A986 HydrophobicContact CG2-CB 3.85Å
208K80.6Confident80.1Confident110 Ų11081 Ų8148%0.47837%0.366SS..Hα-helixtrans-71.2-43176.8-72.3173.3-173.41550110.8E204 N205 L210 K211 E212E204-K208 PolarHBondContact O-N 3.31Å; E204-K208 WeakPolarHBondContact OE1-CE 3.49Å; E204-K208 IonicContact OE1-NZ 3.31Å; E204-K208 PolarHBondContact OE1-NZ 3.28Å; N205-K208 PolarHBondContact O-N 3.34Å; N205-K208 VanDerWaalsContact O-N 3.09Å; K208-L210 PolarHBondContact O-N 3.48Å; K208-K211 PolarHBondContact O-N 3.12Å; K208-K211 VanDerWaalsContact O-N 3.07Å; K208-E212 PolarHBondContact O-N 3.49Å
209E81Confident79.9Confident82 Ų8279.3 Ų79.338%0.38336%0.357SS..Hα-helixtrans-59.5-33.3175.5-63.5178.2169.800112N205 K211 E212 Y213 Y979 V982N205-E209 WeakPolarHBondContact O-CG 3.26Å; N205-E209 PolarHBondContact O-N 3.21Å; N205-E209 VanDerWaalsContact O-N 3.15Å; E209-K211 VanDerWaalsContact C-N 3.35Å; E209-K211 PolarHBondContact O-N 3.38Å; E209-E212 PolarHBondContact O-N 3.46Å; E209-Y213 PolarHBondContact O-N 3.11Å; E209-Y213 VanDerWaalsContact O-N 3.12Å; E209-Y979 HydrophobicContact CB-CD1 4.06Å; E209-Y979 HydrophobicContact CG-CD1 4.37Å; E209-V982 HydrophobicContact CB-CG1 4.45Å; E209-V982 HydrophobicContact CB-CG2 3.59Å
210L78.7Confident80Confident36 Ų3675.7 Ų75.719%0.18834%0.343CS..Hα-helixtrans-63.5-33.3174.5-173.165.2000114.2E206 T207 K208 Q214 V982E206-L210 PolarHBondContact O-N 3.15Å; T207-L210 WeakPolarHBondContact O-CB 3.43Å; T207-L210 PolarHBondContact O-N 3.31Å; K208-L210 PolarHBondContact O-N 3.48Å; L210-Q214 WeakPolarHBondContact O-CG 3.3Å; L210-Q214 PolarHBondContact O-N 2.68Å; L210-V982 HydrophobicContact CB-CG1 3.6Å; L210-V982 HydrophobicContact CD1-CG1 3.66Å; L210-V982 HydrophobicContact CG-CG1 4.23Å
211K76.4Confident79.5Confident154 Ų15479.1 Ų79.167%0.6736%0.355SS*.Hα-helixtrans-71.6-43.3177.8-71.9-179.5178.5173.80112.1K208 E209 Y213 Q214 H215K208-K211 PolarHBondContact O-N 3.12Å; K208-K211 VanDerWaalsContact O-N 3.07Å; E209-K211 VanDerWaalsContact C-N 3.35Å; E209-K211 PolarHBondContact O-N 3.38Å; K211-Y213 VanDerWaalsContact C-N 3.34Å; K211-Q214 WeakPolarHBondContact O-CB 3.22Å; K211-Q214 PolarHBondContact O-N 3.42Å; K211-H215 PolarHBondContact O-N 3.15Å
212E79.3Confident79.2Confident88 Ų8871.7 Ų71.741%0.41133%0.328SS..Hα-helixtrans-64.7-39.1177.6-73.2-64.1137.500112K208 E209 Q214 H215 W216 Y979K208-E212 PolarHBondContact O-N 3.49Å; E209-E212 PolarHBondContact O-N 3.46Å; E212-Q214 VanDerWaalsContact C-N 3.27Å; E212-Q214 PolarHBondContact O-N 3.36Å; E212-H215 PolarHBondContact O-N 3.43Å; E212-W216 PolarHBondContact O-N 3.03Å; E212-Y979 HydrophobicContact CB-CD1 4.42Å; E212-Y979 HydrophobicContact CB-CD2 4.19Å; E212-Y979 HydrophobicContact CB-CE1 3.88Å; E212-Y979 HydrophobicContact CB-CE2 3.61Å; E212-Y979 VanDerWaalsContact CB-CZ 3.42Å; E212-Y979 HydrophobicContact CG-CE1 4.45Å
213Y81.5Confident79Confident83 Ų8369.3 Ų69.333%0.32531%0.313SS..Hα-helixtrans-54-42172.3174.5-89.2000112.4E209 K211 H215 D217 L976E209-Y213 PolarHBondContact O-N 3.11Å; E209-Y213 VanDerWaalsContact O-N 3.12Å; K211-Y213 VanDerWaalsContact C-N 3.34Å; Y213-H215 PolarHBondContact O-N 3.28Å; Y213-D217 WeakPolarHBondContact O-CB 3.48Å; Y213-D217 PolarHBondContact O-N 3.36Å; Y213-D217 VanDerWaalsContact O-N 3.16Å; Y213-L976 HydrophobicContact CD2-CD2 3.84Å; Y213-L976 HydrophobicContact CE2-CD2 3.99Å; Y213-L976 HydrophobicContact CG-CD2 4.4Å; Y213-L976 WeakPolarHBondContact O-CD2 3.4Å
214Q76.3Confident78.6Confident123 Ų12370.3 Ų70.358%0.57532%0.317SS*.Hα-helixtrans-67.2-35.6-179.9-70176.4-2.900113.4L210 K211 E212 R218L210-Q214 WeakPolarHBondContact O-CG 3.3Å; L210-Q214 PolarHBondContact O-N 2.68Å; K211-Q214 WeakPolarHBondContact O-CB 3.22Å; K211-Q214 PolarHBondContact O-N 3.42Å; E212-Q214 VanDerWaalsContact C-N 3.27Å; E212-Q214 PolarHBondContact O-N 3.36Å; Q214-R218 PolarHBondContact O-N 3.45Å
215H78.5Confident78.6Confident102 Ų10269.6 Ų69.647%0.47231%0.313SS..Hα-helixtrans-63.7-52.3178175.366.1000111.4K211 E212 Y213 D217 R218K211-H215 PolarHBondContact O-N 3.15Å; E212-H215 PolarHBondContact O-N 3.43Å; Y213-H215 PolarHBondContact O-N 3.28Å; H215-D217 VanDerWaalsContact C-N 3.31Å; H215-D217 PolarHBondContact O-N 2.99Å; H215-R218 WeakPolarHBondContact O-CB 3.18Å; H215-R218 PolarHBondContact O-N 3.18Å; H215-R218 VanDerWaalsContact O-N 3.15Å
216W81.9Confident78.5Confident44 Ų4466.9 Ų66.917%0.16730%0.3CS..Hα-helixtrans-68.1-28.6-178.6-72106.9000113.7E212 R218 D219 R220 A972 E975 L976E212-W216 PolarHBondContact O-N 3.03Å; W216-R218 PolarHBondContact O-N 3.42Å; W216-D219 PolarHBondContact O-N 3.31Å; W216-R220 PolarHBondContact O-N 2.76Å; W216-R220 VanDerWaalsContact O-N 3.14Å; W216-A972 HydrophobicContact CE3-CB 4.42Å; W216-E975 HydrophobicContact CB-CB 4.5Å; W216-E975 HydrophobicContact CD2-CB 3.35Å; W216-E975 HydrophobicContact CD2-CG 3.89Å; W216-E975 HydrophobicContact CE3-CB 3.84Å; W216-E975 HydrophobicContact CE3-CG 4.08Å; W216-E975 HydrophobicContact CG-CB 3.66Å; W216-E975 HydrophobicContact CH2-CB 4.32Å; W216-E975 HydrophobicContact CH2-CG 3.73Å; W216-E975 HydrophobicContact CZ2-CB 3.9Å; W216-E975 HydrophobicContact CZ2-CG 3.51Å; W216-E975 HydrophobicContact CZ3-CB 4.3Å; W216-E975 HydrophobicContact CZ3-CG 4.01Å; W216-L976 HydrophobicContact CB-CD2 3.75Å; W216-L976 HydrophobicContact CB-CG 3.7Å
217D76.1Confident78.3Confident31 Ų3164.6 Ų64.617%0.16629%0.29CS..Hα-helixtrans-65-28.5173.9-17967.5000112.6Y213 H215 R220 R221 L976Y213-D217 WeakPolarHBondContact O-CB 3.48Å; Y213-D217 PolarHBondContact O-N 3.36Å; Y213-D217 VanDerWaalsContact O-N 3.16Å; H215-D217 VanDerWaalsContact C-N 3.31Å; H215-D217 PolarHBondContact O-N 2.99Å; D217-R220 IonicContact OD1-CZ 3.05Å; D217-R220 IonicContact OD1-NE 3.52Å; D217-R220 PolarHBondContact OD1-NE 3.48Å; D217-R220 VanDerWaalsContact OD1-NE 3.11Å; D217-R220 IonicContact OD1-NH2 2.78Å; D217-R220 PolarHBondContact OD1-NH2 3.4Å; D217-R221 WeakPolarHBondContact O-CG 3.36Å; D217-R221 PolarHBondContact O-N 2.69Å; D217-R221 PolarHBondContact O-NE 3.42Å; D217-R221 VanDerWaalsContact O-NE 3.12Å; D217-R221 IonicContact OD2-CZ 3.52Å; D217-R221 IonicContact OD2-NE 3.35Å; D217-R221 PolarHBondContact OD2-NE 2.8Å; D217-R221 IonicContact OD2-NH2 3.86Å; D217-L976 HydrophobicContact CB-CD2 4.25Å
218R75.7Confident78.4Confident130 Ų13064.7 Ų64.749%0.49129%0.287SS..Hα-helixtrans-66.7-47.2175.1-174.5-179.1170.7174.4-2.5112.3Q214 H215 W216 R221Q214-R218 PolarHBondContact O-N 3.45Å; H215-R218 WeakPolarHBondContact O-CB 3.18Å; H215-R218 PolarHBondContact O-N 3.18Å; H215-R218 VanDerWaalsContact O-N 3.15Å; W216-R218 PolarHBondContact O-N 3.42Å; R218-R221 PolarHBondContact O-N 2.83Å
219D79.5Confident78.2Confident64 Ų6464 Ų6434%0.34229%0.289SS..Hα-helixtrans-69.3-35.9-179.1-822.3000112.1W216 R221 A222 L223W216-D219 PolarHBondContact O-N 3.31Å; D219-R221 VanDerWaalsContact C-N 3.31Å; D219-R221 PolarHBondContact O-N 2.96Å; D219-A222 PolarHBondContact O-N 3.21Å; D219-L223 PolarHBondContact O-N 2.87Å
220R81.2Confident78.2Confident58 Ų5867.5 Ų67.522%0.21930%0.298CS..Hα-helixtrans-54.1-46.5172.7-177.4-169.463.686.92.3111.7W216 D217 A222 L223 E224 L969 A972 L976W216-R220 PolarHBondContact O-N 2.76Å; W216-R220 VanDerWaalsContact O-N 3.14Å; D217-R220 IonicContact OD1-CZ 3.05Å; D217-R220 IonicContact OD1-NE 3.52Å; D217-R220 PolarHBondContact OD1-NE 3.48Å; D217-R220 VanDerWaalsContact OD1-NE 3.11Å; D217-R220 IonicContact OD1-NH2 2.78Å; D217-R220 PolarHBondContact OD1-NH2 3.4Å; R220-A222 PolarHBondContact O-N 3.19Å; R220-L223 PolarHBondContact O-N 2.85Å; R220-E224 WeakPolarHBondContact CD-OE1 3.46Å; R220-E224 HydrophobicContact CG-CG 4.47Å; R220-E224 VanDerWaalsContact CG-OE1 3.32Å; R220-E224 WeakPolarHBondContact CG-OE1 3.44Å; R220-E224 IonicContact CZ-OE1 3.65Å; R220-E224 IonicContact CZ-OE2 3.99Å; R220-E224 IonicContact NE-OE1 3.95Å; R220-E224 IonicContact NH1-OE1 2.67Å; R220-E224 PolarHBondContact NH1-OE1 3.39Å; R220-E224 IonicContact NH1-OE2 2.62Å; R220-E224 PolarHBondContact NH1-OE2 3.45Å; R220-E224 WeakPolarHBondContact O-CB 3.42Å; R220-E224 WeakPolarHBondContact O-CG 3.41Å; R220-E224 PolarHBondContact O-N 2.99Å; R220-E224 VanDerWaalsContact O-N 3.12Å; R220-L969 HydrophobicContact CG-CD1 3.94Å; R220-A972 HydrophobicContact CB-CB 4.37Å; R220-L976 HydrophobicContact CB-CD1 3.99Å; R220-L976 HydrophobicContact CG-CD1 4.22Å
221R74.2Confident77.9Confident88 Ų8867.8 Ų67.833%0.33230%0.299SS..Hα-helixtrans-60.7-42-179-74.3178.5-77.9167.4-6.9112.9D217 R218 D219 L223 E224 F225 L946 L949D217-R221 WeakPolarHBondContact O-CG 3.36Å; D217-R221 PolarHBondContact O-N 2.69Å; D217-R221 PolarHBondContact O-NE 3.42Å; D217-R221 VanDerWaalsContact O-NE 3.12Å; D217-R221 IonicContact OD2-CZ 3.52Å; D217-R221 IonicContact OD2-NE 3.35Å; D217-R221 PolarHBondContact OD2-NE 2.8Å; D217-R221 IonicContact OD2-NH2 3.86Å; R218-R221 PolarHBondContact O-N 2.83Å; D219-R221 VanDerWaalsContact C-N 3.31Å; D219-R221 PolarHBondContact O-N 2.96Å; R221-L223 PolarHBondContact O-N 3.2Å; R221-E224 PolarHBondContact O-N 3.22Å; R221-F225 PolarHBondContact O-N 3.39Å; R221-L946 HydrophobicContact CB-CD2 3.86Å; R221-L946 HydrophobicContact CG-CD2 4.08Å; R221-L946 WeakPolarHBondContact O-CD2 3.23Å; R221-L949 HydrophobicContact CB-CD2 4.37Å
222A76.1Confident78Confident4 Ų461.7 Ų61.73%0.03327%0.273CS..Hα-helixtrans-64.2-38.9-179.600000113D219 R220 L949 T953 F957D219-A222 PolarHBondContact O-N 3.21Å; R220-A222 PolarHBondContact O-N 3.19Å; A222-L949 HydrophobicContact CB-CD2 4.34Å; A222-T953 HydrophobicContact CB-CG2 4.16Å; A222-F957 HydrophobicContact CB-CE2 4.15Å
223L79.9Confident77.8Confident8 Ų865.9 Ų65.94%0.04229%0.29CS..Hα-helixtrans-73.2-39179.7-75.4158.7000112.7D219 R220 R221 F225 T226 F957 L965 L968 L969D219-L223 PolarHBondContact O-N 2.87Å; R220-L223 PolarHBondContact O-N 2.85Å; R221-L223 PolarHBondContact O-N 3.2Å; L223-F225 VanDerWaalsContact C-N 3.27Å; L223-F225 PolarHBondContact O-N 3.22Å; L223-T226 PolarHBondContact O-N 3.44Å; L223-T226 PolarHBondContact O-OG1 3.26Å; L223-F957 HydrophobicContact CD2-CD1 3.68Å; L223-F957 HydrophobicContact CD2-CD2 4.21Å; L223-F957 HydrophobicContact CD2-CE1 3.79Å; L223-F957 HydrophobicContact CD2-CE2 4.3Å; L223-F957 HydrophobicContact CD2-CG 3.9Å; L223-F957 HydrophobicContact CD2-CZ 4.1Å; L223-F957 HydrophobicContact CG-CE1 4.41Å; L223-F957 HydrophobicContact CG-CE2 4.29Å; L223-F957 HydrophobicContact CG-CZ 4.24Å; L223-L965 HydrophobicContact CD2-CD2 4.42Å; L223-L968 HydrophobicContact CD1-CB 3.78Å; L223-L968 HydrophobicContact CD2-CB 3.59Å; L223-L968 HydrophobicContact CD2-CD1 4.11Å; L223-L968 HydrophobicContact CG-CB 4.35Å; L223-L969 HydrophobicContact CB-CB 4.35Å; L223-L969 HydrophobicContact CB-CD1 4.15Å
224E75.4Confident77.6Confident22 Ų2266.9 Ų66.910%0.10330%0.298CS..Hα-helixtrans-58.2-36.2177.7-87.4-174.6-163.900113.1R220 R221 T226 I227 Y228 L946 L969R220-E224 WeakPolarHBondContact CD-OE1 3.46Å; R220-E224 HydrophobicContact CG-CG 4.47Å; R220-E224 VanDerWaalsContact CG-OE1 3.32Å; R220-E224 WeakPolarHBondContact CG-OE1 3.44Å; R220-E224 IonicContact CZ-OE1 3.65Å; R220-E224 IonicContact CZ-OE2 3.99Å; R220-E224 IonicContact NE-OE1 3.95Å; R220-E224 IonicContact NH1-OE1 2.67Å; R220-E224 PolarHBondContact NH1-OE1 3.39Å; R220-E224 IonicContact NH1-OE2 2.62Å; R220-E224 PolarHBondContact NH1-OE2 3.45Å; R220-E224 WeakPolarHBondContact O-CB 3.42Å; R220-E224 WeakPolarHBondContact O-CG 3.41Å; R220-E224 PolarHBondContact O-N 2.99Å; R220-E224 VanDerWaalsContact O-N 3.12Å; R221-E224 PolarHBondContact O-N 3.22Å; E224-T226 PolarHBondContact O-N 3.26Å; E224-I227 PolarHBondContact O-N 3.44Å; E224-Y228 HydrophobicContact CB-CD2 4.21Å; E224-Y228 HydrophobicContact CB-CE2 3.46Å; E224-Y228 VanDerWaalsContact CB-CE2 3.46Å; E224-Y228 HydrophobicContact CG-CE2 4.02Å; E224-Y228 WeakPolarHBondContact CG-OH 3.45Å; E224-Y228 WeakPolarHBondContact O-CD2 3.36Å; E224-Y228 WeakPolarHBondContact O-CE2 3.5Å; E224-Y228 PolarHBondContact O-N 3.35Å; E224-Y228 PolarHBondContact OE2-OH 3.48Å; E224-L946 HydrophobicContact CB-CD1 4.35Å; E224-L946 HydrophobicContact CB-CD2 3.9Å; E224-L969 HydrophobicContact CG-CD1 3.8Å; E224-L969 HydrophobicContact CG-CD2 4.33Å
225F78.7Confident77.3Confident63 Ų6361 Ų6128%0.27627%0.27SS..Hα-helixtrans-54.2-52.7178.5-170.9-94.5000113R221 L223 I227 Y228 I943 L946 F954R221-F225 PolarHBondContact O-N 3.39Å; L223-F225 VanDerWaalsContact C-N 3.27Å; L223-F225 PolarHBondContact O-N 3.22Å; F225-I227 PolarHBondContact O-N 3.12Å; F225-Y228 PolarHBondContact O-N 3.36Å; F225-I943 HydrophobicContact CE2-CB 4.2Å; F225-I943 HydrophobicContact CE2-CG1 4.22Å; F225-I943 HydrophobicContact CE2-CG2 3.77Å; F225-I943 HydrophobicContact CZ-CG2 4.19Å; F225-L946 HydrophobicContact CB-CD1 3.5Å; F225-L946 VanDerWaalsContact CB-CD1 3.5Å; F225-L946 HydrophobicContact CD2-CB 4.43Å; F225-L946 HydrophobicContact CD2-CD1 3.72Å; F225-L946 HydrophobicContact CG-CD1 4.07Å; F225-F954 HydrophobicContact CD1-CD1 4.28Å; F225-F954 HydrophobicContact CD1-CE1 4.21Å; F225-F954 HydrophobicContact CD2-CE1 4.29Å; F225-F954 HydrophobicContact CE1-CE1 4.44Å; F225-F954 HydrophobicContact CG-CE1 4.14Å
226T79.5Confident77.2Confident34 Ų3463.1 Ų63.121%0.20927%0.274CS..Hα-helixtrans-64.9-22.8-176.653.90000113.6L223 E224 F957 L965L223-T226 PolarHBondContact O-N 3.44Å; L223-T226 PolarHBondContact O-OG1 3.26Å; E224-T226 PolarHBondContact O-N 3.26Å; T226-F957 HydrophobicContact CG2-CB 4.45Å; T226-L965 WeakPolarHBondContact OG1-CD2 3.15Å
227I78.5Confident76.9Confident3 Ų369.4 Ų69.42%0.01530%0.303CS..Hα-helixtrans-82.1-42.3-179.4-73.9166.8000111.5E224 F225 D229 R230 M962 L965 F966 L969E224-I227 PolarHBondContact O-N 3.44Å; F225-I227 PolarHBondContact O-N 3.12Å; I227-D229 PolarHBondContact O-N 3.33Å; I227-R230 PolarHBondContact O-N 3.43Å; I227-M962 HydrophobicContact CG1-SD 4.17Å; I227-M962 HydrophobicContact CG2-CE 4.09Å; I227-M962 HydrophobicContact CG2-SD 4.48Å; I227-L965 HydrophobicContact CD1-CB 4.14Å; I227-L965 HydrophobicContact CG1-CB 4Å; I227-L965 HydrophobicContact CG1-CD1 4.28Å; I227-F966 HydrophobicContact CD1-CD1 4.08Å; I227-F966 HydrophobicContact CD1-CE1 4.09Å; I227-F966 HydrophobicContact CG2-CE1 4.3Å; I227-F966 HydrophobicContact CG2-CZ 4.17Å; I227-L969 HydrophobicContact CD1-CB 4.45Å; I227-L969 HydrophobicContact CD1-CD2 3.69Å
228Y77.7Confident76.8Confident31 Ų3171.7 Ų71.712%0.12231%0.311CS..Hα-helixtrans-69.8-34.3-170.5-59.4-39.7000114.2E224 F225 R230 E231 L232 N939 K942 L946E224-Y228 HydrophobicContact CB-CD2 4.21Å; E224-Y228 HydrophobicContact CB-CE2 3.46Å; E224-Y228 VanDerWaalsContact CB-CE2 3.46Å; E224-Y228 HydrophobicContact CG-CE2 4.02Å; E224-Y228 WeakPolarHBondContact CG-OH 3.45Å; E224-Y228 WeakPolarHBondContact O-CD2 3.36Å; E224-Y228 WeakPolarHBondContact O-CE2 3.5Å; E224-Y228 PolarHBondContact O-N 3.35Å; E224-Y228 PolarHBondContact OE2-OH 3.48Å; F225-Y228 PolarHBondContact O-N 3.36Å; Y228-R230 PolarHBondContact O-N 3.32Å; Y228-E231 PolarHBondContact O-N 3.32Å; Y228-L232 PolarHBondContact O-N 3.32Å; Y228-N939 VanDerWaalsContact O-CB 3.23Å; Y228-N939 WeakPolarHBondContact O-CB 3.46Å; Y228-N939 PolarHBondContact O-OD1 3.18Å; Y228-K942 HydrophobicContact CD1-CB 4.48Å; Y228-K942 HydrophobicContact CD1-CD 3.46Å; Y228-K942 VanDerWaalsContact CD1-CD 3.46Å; Y228-K942 HydrophobicContact CD2-CB 3.12Å; Y228-K942 HydrophobicContact CD2-CD 3.66Å; Y228-K942 HydrophobicContact CD2-CG 3.85Å; Y228-K942 HydrophobicContact CE1-CD 3.44Å; Y228-K942 VanDerWaalsContact CE1-CD 3.44Å; Y228-K942 HydrophobicContact CE1-CG 4.41Å; Y228-K942 HydrophobicContact CE2-CB 3.33Å; Y228-K942 HydrophobicContact CE2-CD 3.61Å; Y228-K942 HydrophobicContact CE2-CG 3.68Å; Y228-K942 HydrophobicContact CG-CB 3.73Å; Y228-K942 HydrophobicContact CG-CD 3.55Å; Y228-K942 HydrophobicContact CG-CG 4.23Å; Y228-K942 VanDerWaalsContact CZ-CD 3.5Å; Y228-L946 HydrophobicContact CD2-CD1 3.87Å; Y228-L946 HydrophobicContact CE2-CD1 4.07Å
229D76.5Confident76.7Confident97 Ų9766.6 Ų66.652%0.51929%0.293SS..Hα-helixtrans-56.2-38.5177.2-177.761.4000112.9I227 I943I227-D229 PolarHBondContact O-N 3.33Å; D229-I943 HydrophobicContact CB-CD1 3.98Å
230R79.6Confident76.4Confident154 Ų15471.3 Ų71.358%0.58131%0.313SS*.Hα-helixtrans-73.2-34.3-179.1-166.9171.2178159.40.2113I227 Y228 L232I227-R230 PolarHBondContact O-N 3.43Å; Y228-R230 PolarHBondContact O-N 3.32Å; R230-L232 VanDerWaalsContact C-N 3.29Å; R230-L232 PolarHBondContact O-N 3.23Å
231E74Confident76.1Confident43 Ų4375.3 Ų75.320%0.20133%0.334CS..Hα-helixtrans-70.5-22.2-178.4-74.3-168159.900113.2Y228 K233 T235 K935 N939Y228-E231 PolarHBondContact O-N 3.32Å; E231-K233 VanDerWaalsContact C-N 3.31Å; E231-K233 PolarHBondContact O-N 2.72Å; E231-T235 PolarHBondContact O-OG1 3.42Å; E231-K935 HydrophobicContact CB-CG 4.47Å; E231-N939 WeakPolarHBondContact CB-ND2 3.4Å; E231-N939 PolarHBondContact O-ND2 3.32Å
232L77.3Confident76.1Confident25 Ų2571.6 Ų71.613%0.13132%0.321CS..Hα-helixtrans-59.8-38.7-176-163.1147.1000113.2Y228 R230 T235 K936 N939 M940Y228-L232 PolarHBondContact O-N 3.32Å; R230-L232 VanDerWaalsContact C-N 3.29Å; R230-L232 PolarHBondContact O-N 3.23Å; L232-T235 WeakPolarHBondContact O-CB 3.5Å; L232-K936 WeakPolarHBondContact CD1-O 3.46Å; L232-N939 WeakPolarHBondContact CA-ND2 3.36Å; L232-N939 HydrophobicContact CB-CB 3.5Å; L232-N939 VanDerWaalsContact CB-CB 3.5Å; L232-N939 HydrophobicContact CD1-CB 3.76Å; L232-N939 HydrophobicContact CG-CB 3.82Å; L232-N939 PolarHBondContact N-ND2 2.78Å; L232-M940 HydrophobicContact CD1-CB 4.43Å; L232-M940 HydrophobicContact CD1-CG 3.45Å; L232-M940 VanDerWaalsContact CD1-CG 3.45Å
233K74.9Confident76Confident176 Ų17676.9 Ų76.977%0.76535%0.345SS*.Hα-helixtrans-70.7-37.9-173.5-69.8177.5-179.4171.10113.5E231 T235E231-K233 VanDerWaalsContact C-N 3.31Å; E231-K233 PolarHBondContact O-N 2.72Å; K233-T235 PolarHBondContact O-N 3.34Å
234E77.6Confident75.7Confident105 Ų10581.2 Ų81.249%0.49137%0.372SS..Hα-helixtrans-67-25.8-179.3-165-156148.500112.5K238 K935E234-K238 IonicContact OE1-NZ 2.64Å; E234-K238 PolarHBondContact OE1-NZ 2.83Å; E234-K935 IonicContact OE2-NZ 3.62Å; E234-K935 PolarHBondContact OE2-NZ 3.45Å; E234-K935 VanDerWaalsContact OE2-NZ 3.12Å
235T70.4Confident75.6Confident0 Ų087.7 Ų87.70%040%0.395CS..Hα-helixtrans-74.6-37.6-162.8-60.40000113E231 L232 K233 K237 K238 L932 K935 K936E231-T235 PolarHBondContact O-OG1 3.42Å; L232-T235 WeakPolarHBondContact O-CB 3.5Å; K233-T235 PolarHBondContact O-N 3.34Å; T235-K237 VanDerWaalsContact C-N 3.3Å; T235-K237 PolarHBondContact O-N 3.01Å; T235-K238 PolarHBondContact O-N 3.09Å; T235-L932 VanDerWaalsContact CG2-C 3.43Å; T235-L932 HydrophobicContact CG2-CB 3.74Å; T235-L932 HydrophobicContact CG2-CD2 3.53Å; T235-L932 HydrophobicContact CG2-CG 4.13Å; T235-L932 WeakPolarHBondContact CG2-O 3.39Å; T235-L932 WeakPolarHBondContact O-CD2 3.49Å; T235-K935 VanDerWaalsContact CG2-C 3.47Å; T235-K935 HydrophobicContact CG2-CB 3.53Å; T235-K935 HydrophobicContact CG2-CD 4.26Å; T235-K935 HydrophobicContact CG2-CG 4.12Å; T235-K935 VanDerWaalsContact OG1-CD 3.32Å; T235-K935 WeakPolarHBondContact OG1-CD 3.24Å; T235-K935 VanDerWaalsContact OG1-CG 3.23Å; T235-K935 WeakPolarHBondContact OG1-CG 3.21Å; T235-K935 PolarHBondContact OG1-O 2.93Å; T235-K936 HydrophobicContact CG2-CB 4.29Å
236R77.3Confident75.3Confident145 Ų14590.6 Ų90.655%0.54741%0.405SS..G310 helixtrans-60.7-32.7-171.3-67.3-179.7178.4-174.4-1.7114.4L239 K936R236-L239 WeakPolarHBondContact O-CB 3.37Å; R236-K936 HydrophobicContact CG-CD 4.28Å
237K75.3Confident74.9Confident177 Ų17796 Ų9677%0.7743%0.428SS*.G310 helixtrans-69.6-35.9-174.5-177.3176178.3179.90114T235 L239T235-K237 VanDerWaalsContact C-N 3.3Å; T235-K237 PolarHBondContact O-N 3.01Å; K237-L239 PolarHBondContact O-N 3.18Å
238K73Confident74.8Confident78 Ų78103.4 Ų103.434%0.33946%0.462SS..G310 helixtrans-73.7-5.6-174.6-66.1166.2168.5166.60112.4E234 T235 I242 L932E234-K238 IonicContact OE1-NZ 2.64Å; E234-K238 PolarHBondContact OE1-NZ 2.83Å; T235-K238 PolarHBondContact O-N 3.09Å; K238-I242 WeakPolarHBondContact O-CD1 3.39Å; K238-L932 HydrophobicContact CB-CD1 3.07Å; K238-L932 HydrophobicContact CB-CD2 3.55Å; K238-L932 HydrophobicContact CB-CG 3.87Å; K238-L932 HydrophobicContact CD-CD1 4.37Å; K238-L932 HydrophobicContact CD-CD2 3.49Å; K238-L932 VanDerWaalsContact CD-CD2 3.49Å; K238-L932 HydrophobicContact CG-CD1 4.32Å; K238-L932 HydrophobicContact CG-CD2 4.1Å; K238-L932 VanDerWaalsContact O-CD1 3.24Å; K238-L932 WeakPolarHBondContact O-CD1 3.37Å
239L75.1Confident74.5Confident24 Ų24102.6 Ų102.613%0.12646%0.461CS..G310 helixtrans-70.2-37.7-173.2-81.1168.5000114.8R236 K237 Q929 L932 L933R236-L239 WeakPolarHBondContact O-CB 3.37Å; K237-L239 PolarHBondContact O-N 3.18Å; L239-Q929 HydrophobicContact CD2-CB 4.27Å; L239-Q929 HydrophobicContact CD2-CG 3.62Å; L239-Q929 WeakPolarHBondContact CD2-O 3.41Å; L239-L932 HydrophobicContact CD1-CB 4.44Å; L239-L932 HydrophobicContact CD2-CB 3.47Å; L239-L932 VanDerWaalsContact CD2-CB 3.47Å; L239-L932 HydrophobicContact CG-CB 3.56Å; L239-L933 HydrophobicContact CD1-CD2 3.66Å; L239-L933 HydrophobicContact CD1-CG 4.17Å; L239-L933 HydrophobicContact CD2-CB 4.46Å; L239-L933 HydrophobicContact CD2-CD1 4.37Å; L239-L933 HydrophobicContact CD2-CD2 3.97Å; L239-L933 HydrophobicContact CD2-CG 3.56Å
240E71.2Confident74.3Confident162 Ų162101.7 Ų101.776%0.75746%0.462SS*.THydrogen-bonded Turntrans-74.2-38-169.2-71.4173169.600113I242 Q243E240-I242 PolarHBondContact O-N 3.49Å; E240-Q243 PolarHBondContact O-N 3.2Å
241E76.3Confident74Confident142 Ų142101.8 Ų101.866%0.66447%0.469SS*.THydrogen-bonded Turntrans-61.2-19.2-179.1-68.1175.9178.400113.9T244E241-T244 PolarHBondContact O-OG1 2.66Å
242I73.2Confident74.1Confident10 Ų10102.3 Ų102.35%0.05148%0.477CS..Hα-helixtrans-88.8-22.5-169.4-61.4170.5000112.1K238 E240 T244 M925 K928 Q929 L932K238-I242 WeakPolarHBondContact O-CD1 3.39Å; E240-I242 PolarHBondContact O-N 3.49Å; I242-T244 PolarHBondContact O-N 3.17Å; I242-M925 HydrophobicContact CG2-CB 3.44Å; I242-M925 VanDerWaalsContact CG2-CB 3.44Å; I242-M925 HydrophobicContact CG2-CG 4.29Å; I242-M925 WeakPolarHBondContact CG2-O 3.36Å; I242-M925 HydrophobicContact CG2-SD 4.27Å; I242-K928 VanDerWaalsContact CD1-C 3.43Å; I242-K928 HydrophobicContact CD1-CB 3.55Å; I242-K928 HydrophobicContact CD1-CD 4.26Å; I242-K928 HydrophobicContact CD1-CG 3.66Å; I242-Q929 HydrophobicContact CB-CB 4.15Å; I242-Q929 HydrophobicContact CD1-CB 4Å; I242-Q929 HydrophobicContact CG2-CB 3.83Å; I242-L932 HydrophobicContact CD1-CD1 3.56Å
243Q74.8Confident74Confident116 Ų116101.3 Ų101.354%0.54247%0.472SS..Hα-helixtrans-69.7-36-172.9-166.8164.5-24.700113E240 R246E240-Q243 PolarHBondContact O-N 3.2Å; Q243-R246 VanDerWaalsContact O-CB 3.32Å; Q243-R246 WeakPolarHBondContact O-CB 3.34Å
244T73.7Confident74Confident99 Ų9995.4 Ų95.461%0.60746%0.457SS*.Hα-helixtrans-70.9-41.2-178.546.10000113.6E241 I242 R246 E247E241-T244 PolarHBondContact O-OG1 2.66Å; I242-T244 PolarHBondContact O-N 3.17Å; T244-R246 PolarHBondContact O-N 3.44Å; T244-E247 PolarHBondContact O-N 3.42Å
245R72.7Confident74.1Confident157 Ų15797.6 Ų97.659%0.59247%0.467SS*.Hα-helixtrans-67-17.6179.8-66.1178.9173-162.8-3.2113.4M925R245-M925 HydrophobicContact CB-CE 3.28Å; R245-M925 HydrophobicContact CB-SD 3.29Å; R245-M925 WeakPolarHBondContact CB-SD 3.32Å; R245-M925 WeakPolarHBondContact CD-SD 3.24Å; R245-M925 HydrophobicContact CG-CE 4.03Å; R245-M925 HydrophobicContact CG-SD 3.97Å
246R71.7Confident74.6Confident125 Ų12598.8 Ų98.847%0.47247%0.473SS..Hα-helixtrans-68.8-33.5-179.9-174.9-179.4142.7-173-9.4112.9Q243 T244 L922Q243-R246 VanDerWaalsContact O-CB 3.32Å; Q243-R246 WeakPolarHBondContact O-CB 3.34Å; T244-R246 PolarHBondContact O-N 3.44Å; R246-L922 HydrophobicContact CB-CD2 4.28Å; R246-L922 HydrophobicContact CG-CD2 3.56Å
247E72.7Confident74.7Confident147 Ų14798.9 Ų98.969%0.68747%0.474SS*.Hα-helixtrans-70.6-44.1-174.2-70.8173.2176.400112.3T244 S249 S250T244-E247 PolarHBondContact O-N 3.42Å; E247-S249 VanDerWaalsContact C-N 3.33Å; E247-S249 PolarHBondContact O-N 3.31Å; E247-S250 WeakPolarHBondContact O-CB 3.49Å; E247-S250 PolarHBondContact O-N 2.93Å; E247-S250 VanDerWaalsContact O-N 3.14Å
248Q74.9Confident75Confident158 Ų15899.6 Ų99.674%0.73847%0.471SS*.Hα-helixtrans-64.4-36.3179.7-68.6176.4-22.200113.2S250Q248-S250 PolarHBondContact O-N 2.86Å
249S72Confident75.5Confident15 Ų1597.3 Ų97.311%0.10547%0.467CS..Hα-helixtrans-68.1-21.4178.4-173.40000112.4E247 E251 T253 L922E247-S249 VanDerWaalsContact C-N 3.33Å; E247-S249 PolarHBondContact O-N 3.31Å; S249-E251 PolarHBondContact O-N 3.36Å; S249-T253 WeakPolarHBondContact O-CB 3.16Å; S249-T253 PolarHBondContact O-N 2.79Å; S249-T253 PolarHBondContact O-OG1 2.76Å; S249-L922 WeakPolarHBondContact OG-CD1 3.34Å; S249-L922 WeakPolarHBondContact OG-CG 3.29Å
250S72.9Confident75.8Confident77 Ų7797 Ų9754%0.53847%0.468SS..Hα-helixtrans-64.4-38.3179.4-175.20000113.9E247 Q248E247-S250 WeakPolarHBondContact O-CB 3.49Å; E247-S250 PolarHBondContact O-N 2.93Å; E247-S250 VanDerWaalsContact O-N 3.14Å; Q248-S250 PolarHBondContact O-N 2.86Å
251E73.6Confident76.3Confident157 Ų15795.8 Ų95.873%0.73446%0.46SS*.Hα-helixtrans-74.8-47.5-177.5-76179.3165.800112S249 T253 A254S249-E251 PolarHBondContact O-N 3.36Å; E251-T253 PolarHBondContact O-N 3.24Å; E251-A254 WeakPolarHBondContact O-CB 3.33Å; E251-A254 PolarHBondContact O-N 3.3Å
252S74.3Confident76.7Confident53 Ų5394.2 Ų94.237%0.37146%0.456SS..Hα-helixtrans-50.5-44.6172.7171.60000111.6A254 E255 I256 D918S252-A254 VanDerWaalsContact C-N 3.26Å; S252-A254 PolarHBondContact O-N 2.97Å; S252-E255 PolarHBondContact O-N 3.01Å; S252-I256 WeakPolarHBondContact O-CG1 3.4Å; S252-I256 PolarHBondContact O-N 2.79Å; S252-D918 PolarHBondContact OG-OD2 2.87Å
253T75.9Confident77.2Confident4 Ų493.9 Ų93.93%0.02546%0.455CS..Hα-helixtrans-61-32.6-180-57.50000112.7S249 E251 R257S249-T253 WeakPolarHBondContact O-CB 3.16Å; S249-T253 PolarHBondContact O-N 2.79Å; S249-T253 PolarHBondContact O-OG1 2.76Å; E251-T253 PolarHBondContact O-N 3.24Å; T253-R257 HydrophobicContact CG2-CG 4.32Å; T253-R257 WeakPolarHBondContact O-CB 3.41Å; T253-R257 VanDerWaalsContact O-CG 3.24Å; T253-R257 WeakPolarHBondContact O-CG 3.46Å; T253-R257 PolarHBondContact O-N 2.77Å
254A75.9Confident77.6Confident53 Ų5390.1 Ų90.144%0.43844%0.444SS..Hα-helixtrans-70.1-37.7-17700000112.7E251 S252 R258E251-A254 WeakPolarHBondContact O-CB 3.33Å; E251-A254 PolarHBondContact O-N 3.3Å; S252-A254 VanDerWaalsContact C-N 3.26Å; S252-A254 PolarHBondContact O-N 2.97Å; A254-R258 PolarHBondContact O-N 3.49Å
255E79.3Confident78Confident150 Ų15088.9 Ų88.970%0.70143%0.433SS*.Hα-helixtrans-69.9-45.4177-66.4-177.2169.100111.3S252 R257 R258 A259S252-E255 PolarHBondContact O-N 3.01Å; E255-R257 VanDerWaalsContact C-N 3.28Å; E255-R257 PolarHBondContact O-N 2.85Å; E255-R258 PolarHBondContact O-N 2.71Å; E255-R258 VanDerWaalsContact O-N 3.14Å; E255-A259 PolarHBondContact O-N 3.46Å
256I81Confident78.6Confident26 Ų2682.8 Ų82.813%0.13342%0.417CS..Hα-helixtrans-62.8-37.6179.1-54.9165.5000110.5S252 R258 A259 A260 Y911 R914 I915S252-I256 WeakPolarHBondContact O-CG1 3.4Å; S252-I256 PolarHBondContact O-N 2.79Å; I256-R258 VanDerWaalsContact C-N 3.33Å; I256-R258 PolarHBondContact O-N 2.82Å; I256-A259 PolarHBondContact O-N 3.06Å; I256-A260 WeakPolarHBondContact O-CB 3.34Å; I256-A260 PolarHBondContact O-N 2.99Å; I256-Y911 HydrophobicContact CG2-CD1 3.99Å; I256-R914 HydrophobicContact CD1-CB 4.38Å; I256-R914 HydrophobicContact CG2-CB 4.32Å; I256-I915 HydrophobicContact CB-CG1 4.17Å; I256-I915 HydrophobicContact CG2-CD1 3.94Å; I256-I915 HydrophobicContact CG2-CG1 3.5Å
257R79.6Confident79.2Confident147 Ų14777.3 Ų77.356%0.55540%0.397SS*.Hα-helixtrans-62.8-34.1175.8-80.8178.7-175.6170.66.8113.9T253 E255 K261 I915T253-R257 HydrophobicContact CG2-CG 4.32Å; T253-R257 WeakPolarHBondContact O-CB 3.41Å; T253-R257 VanDerWaalsContact O-CG 3.24Å; T253-R257 WeakPolarHBondContact O-CG 3.46Å; T253-R257 PolarHBondContact O-N 2.77Å; E255-R257 VanDerWaalsContact C-N 3.28Å; E255-R257 PolarHBondContact O-N 2.85Å; R257-K261 PolarHBondContact O-N 3.16Å; R257-I915 HydrophobicContact CG-CD1 4.27Å
258R80.8Confident79.6Confident192 Ų19274.4 Ų74.473%0.72538%0.383SS*.Hα-helixtrans-67.8-48.4175.8-73.3-177.8-177.6169.81.4110.8A254 E255 I256 A260 K261 D262A254-R258 PolarHBondContact O-N 3.49Å; E255-R258 PolarHBondContact O-N 2.71Å; E255-R258 VanDerWaalsContact O-N 3.14Å; I256-R258 VanDerWaalsContact C-N 3.33Å; I256-R258 PolarHBondContact O-N 2.82Å; R258-A260 VanDerWaalsContact C-N 3.29Å; R258-A260 PolarHBondContact O-N 2.82Å; R258-K261 WeakPolarHBondContact O-CB 3.34Å; R258-K261 PolarHBondContact O-N 3.09Å; R258-K261 VanDerWaalsContact O-N 3.12Å; R258-D262 PolarHBondContact O-N 3.41Å
259A82.9Confident80.1Confident29 Ų2973.2 Ų73.224%0.2438%0.375CS..Hα-helixtrans-60.8-38.6176.400000112.3E255 I256 D262 C263 Y911E255-A259 PolarHBondContact O-N 3.46Å; I256-A259 PolarHBondContact O-N 3.06Å; A259-D262 PolarHBondContact O-N 3.46Å; A259-C263 WeakPolarHBondContact O-CB 3.41Å; A259-C263 PolarHBondContact O-N 3.49Å; A259-Y911 HydrophobicContact CB-CD1 4.34Å; A259-Y911 HydrophobicContact CB-CE1 3.81Å; A259-Y911 HydrophobicContact CB-CE2 4.28Å
260A82.7Confident80.8Confident19 Ų1973.3 Ų73.316%0.15738%0.375CS..Hα-helixtrans-63.6-39.2174.700000112.4I256 R258 C263 A264 I915I256-A260 WeakPolarHBondContact O-CB 3.34Å; I256-A260 PolarHBondContact O-N 2.99Å; R258-A260 VanDerWaalsContact C-N 3.29Å; R258-A260 PolarHBondContact O-N 2.82Å; A260-C263 PolarHBondContact O-N 3.25Å; A260-A264 WeakPolarHBondContact O-CB 3.32Å; A260-A264 PolarHBondContact O-N 3.38Å; A260-I915 HydrophobicContact CB-CD1 3.76Å
261K81.3Confident81.3Confident135 Ų13573 Ų7359%0.58737%0.365SS*.Hα-helixtrans-63.4-47.8175.4-173.3-175.2174.7-174.20111.4R257 R258 C263 A264 D265R257-K261 PolarHBondContact O-N 3.16Å; R258-K261 WeakPolarHBondContact O-CB 3.34Å; R258-K261 PolarHBondContact O-N 3.09Å; R258-K261 VanDerWaalsContact O-N 3.12Å; K261-C263 PolarHBondContact O-N 3.18Å; K261-A264 PolarHBondContact O-N 3.34Å; K261-A264 VanDerWaalsContact O-N 3.14Å; K261-D265 PolarHBondContact O-N 3.04Å
262D83.6Confident81.8Confident109 Ų10971.4 Ų71.458%0.58335%0.352SS*.Hα-helixtrans-62.4-35.2178.9-62.2-21.5000111.5R258 A259 A266R258-D262 PolarHBondContact O-N 3.41Å; A259-D262 PolarHBondContact O-N 3.46Å; D262-A266 PolarHBondContact O-N 3.04Å; D262-A266 VanDerWaalsContact O-N 3.16Å
263C85.7Confident82.4Confident4 Ų472.5 Ų72.53%0.02735%0.354CS..Hα-helixtrans-68-43.4174-163.50000112.1A259 A260 K261 A266 I267 K904 Y911A259-C263 WeakPolarHBondContact O-CB 3.41Å; A259-C263 PolarHBondContact O-N 3.49Å; A260-C263 PolarHBondContact O-N 3.25Å; K261-C263 PolarHBondContact O-N 3.18Å; C263-A266 WeakPolarHBondContact O-CB 3.46Å; C263-A266 PolarHBondContact O-N 3.45Å; C263-I267 WeakPolarHBondContact O-CG1 3.31Å; C263-I267 PolarHBondContact O-N 2.97Å; C263-K904 PolarHBondContact SG-O 2.68Å; C263-Y911 HydrophobicContact CB-CD2 4.31Å; C263-Y911 HydrophobicContact CB-CE2 4.43Å
264A81.2Confident82.9Confident37 Ų3772.7 Ų72.731%0.30635%0.354SS..Hα-helixtrans-62.3-42.5176.900000111.8A260 K261 A266 I267 E268A260-A264 WeakPolarHBondContact O-CB 3.32Å; A260-A264 PolarHBondContact O-N 3.38Å; K261-A264 PolarHBondContact O-N 3.34Å; K261-A264 VanDerWaalsContact O-N 3.14Å; A264-A266 VanDerWaalsContact C-N 3.27Å; A264-A266 PolarHBondContact O-N 3.4Å; A264-I267 PolarHBondContact O-N 3.21Å; A264-E268 PolarHBondContact O-N 3.13Å
265D82.5Confident83.2Confident72 Ų7276.6 Ų76.639%0.38536%0.358SS..Hα-helixtrans-63.6-34.1176-68-11.9000111.5K261 K269K261-D265 PolarHBondContact O-N 3.04Å; D265-K269 WeakPolarHBondContact O-CG 3.47Å; D265-K269 PolarHBondContact O-N 3.06Å
266A85.3Confident83.4Confident30 Ų3073.9 Ų73.925%0.24835%0.348CS..Hα-helixtrans-71.9-39.8174.200000112.7D262 C263 A264 K269 L270D262-A266 PolarHBondContact O-N 3.04Å; D262-A266 VanDerWaalsContact O-N 3.16Å; C263-A266 WeakPolarHBondContact O-CB 3.46Å; C263-A266 PolarHBondContact O-N 3.45Å; A264-A266 VanDerWaalsContact C-N 3.27Å; A264-A266 PolarHBondContact O-N 3.4Å; A266-K269 PolarHBondContact O-N 3.03Å; A266-L270 WeakPolarHBondContact O-CG 3.39Å; A266-L270 PolarHBondContact O-N 3.02Å
267I85.1Confident83.6Confident9 Ų972.8 Ų72.85%0.04634%0.343CS..Hα-helixtrans-63.1-43.4174.6-69.9169.4000110.2C263 A264 K269 L270 E271 K904 K905 E908C263-I267 WeakPolarHBondContact O-CG1 3.31Å; C263-I267 PolarHBondContact O-N 2.97Å; A264-I267 PolarHBondContact O-N 3.21Å; I267-K269 VanDerWaalsContact C-N 3.29Å; I267-K269 PolarHBondContact O-N 3.01Å; I267-L270 CarbonylContact O-C 3.32Å; I267-L270 PolarHBondContact O-N 2.85Å; I267-E271 HydrophobicContact CG2-CG 4.13Å; I267-E271 WeakPolarHBondContact O-CB 3.28Å; I267-E271 WeakPolarHBondContact O-CG 3.45Å; I267-E271 PolarHBondContact O-N 3.38Å; I267-K904 HydrophobicContact CD1-CB 4.4Å; I267-K904 HydrophobicContact CG1-CB 3.83Å; I267-K905 HydrophobicContact CD1-CG 4.17Å; I267-E908 HydrophobicContact CD1-CB 3.66Å; I267-E908 HydrophobicContact CD1-CG 4.1Å; I267-E908 WeakPolarHBondContact CD1-OE2 3.48Å
268E81.4Confident83.7Confident86 Ų8671.9 Ų71.940%0.40234%0.339SS..Hα-helixtrans-62.1-38.7179.6-167.3-178.4175.600111.8A264 E271 R272A264-E268 PolarHBondContact O-N 3.13Å; E268-E271 PolarHBondContact O-N 2.77Å; E268-R272 VanDerWaalsContact O-CG 3.31Å; E268-R272 WeakPolarHBondContact O-CG 3.3Å; E268-R272 PolarHBondContact O-N 2.66Å; E268-R272 IonicContact OE1-CZ 3.44Å; E268-R272 IonicContact OE1-NE 2.93Å; E268-R272 IonicContact OE1-NH2 2.88Å; E268-R272 PolarHBondContact OE1-NH2 3.48Å; E268-R272 IonicContact OE2-NH2 2.64Å
269K85.5Confident83.6Confident133 Ų13366.5 Ų66.558%0.57833%0.325SS*.Hα-helixtrans-62-50.8172.4-72174.2-177.5178.80111.4D265 A266 I267 E271 R272 D273D265-K269 WeakPolarHBondContact O-CG 3.47Å; D265-K269 PolarHBondContact O-N 3.06Å; A266-K269 PolarHBondContact O-N 3.03Å; I267-K269 VanDerWaalsContact C-N 3.29Å; I267-K269 PolarHBondContact O-N 3.01Å; K269-E271 VanDerWaalsContact C-N 3.29Å; K269-E271 PolarHBondContact O-N 2.93Å; K269-R272 WeakPolarHBondContact O-CB 3.38Å; K269-R272 PolarHBondContact O-N 2.75Å; K269-D273 VanDerWaalsContact O-CG 3.28Å; K269-D273 PolarHBondContact O-N 3.02Å
270L86.9Confident83.7Confident18 Ų1869.6 Ų69.69%0.09433%0.333CS..Hα-helixtrans-60.6-36.2177.5-71.4169.4000112.6A266 I267 D273 L274 L897 E900 M901 K904A266-L270 WeakPolarHBondContact O-CG 3.39Å; A266-L270 PolarHBondContact O-N 3.02Å; I267-L270 CarbonylContact O-C 3.32Å; I267-L270 PolarHBondContact O-N 2.85Å; L270-D273 PolarHBondContact O-N 3.45Å; L270-L274 WeakPolarHBondContact O-CB 3.43Å; L270-L274 PolarHBondContact O-N 2.84Å; L270-L897 HydrophobicContact CD2-CD2 3.67Å; L270-E900 HydrophobicContact CD1-CB 4.37Å; L270-E900 HydrophobicContact CD2-CB 4.43Å; L270-M901 HydrophobicContact CB-CB 4.45Å; L270-M901 HydrophobicContact CB-CE 4.29Å; L270-M901 HydrophobicContact CD1-CB 4.37Å; L270-K904 HydrophobicContact CD1-CB 4.38Å; L270-K904 HydrophobicContact CD1-CG 4.07Å
271E82.6Confident83.7Confident71 Ų7170.5 Ų70.533%0.33233%0.333SS..Hα-helixtrans-70-30.4175.4-76.4-171.6166.500113I267 E268 K269 R275 M901I267-E271 HydrophobicContact CG2-CG 4.13Å; I267-E271 WeakPolarHBondContact O-CB 3.28Å; I267-E271 WeakPolarHBondContact O-CG 3.45Å; I267-E271 PolarHBondContact O-N 3.38Å; E268-E271 PolarHBondContact O-N 2.77Å; K269-E271 VanDerWaalsContact C-N 3.29Å; K269-E271 PolarHBondContact O-N 2.93Å; E271-R275 WeakPolarHBondContact O-CB 3.5Å; E271-R275 VanDerWaalsContact O-CG 3.3Å; E271-R275 WeakPolarHBondContact O-CG 3.38Å; E271-R275 PolarHBondContact O-N 2.88Å; E271-R275 VanDerWaalsContact O-N 3.13Å; E271-R275 PolarHBondContact O-NE 3.5Å; E271-R275 IonicContact OE2-NH2 3.42Å; E271-M901 HydrophobicContact CG-CE 4.08Å; E271-M901 HydrophobicContact CG-SD 4.2Å
272R83.8Confident83.6Confident123 Ų12366.7 Ų66.746%0.46433%0.327SS..Hα-helixtrans-70.1-50.6171-70.7172.6-166172.62.5109.7E268 K269 L274 R275 D276E268-R272 VanDerWaalsContact O-CG 3.31Å; E268-R272 WeakPolarHBondContact O-CG 3.3Å; E268-R272 PolarHBondContact O-N 2.66Å; E268-R272 IonicContact OE1-CZ 3.44Å; E268-R272 IonicContact OE1-NE 2.93Å; E268-R272 IonicContact OE1-NH2 2.88Å; E268-R272 PolarHBondContact OE1-NH2 3.48Å; E268-R272 IonicContact OE2-NH2 2.64Å; K269-R272 WeakPolarHBondContact O-CB 3.38Å; K269-R272 PolarHBondContact O-N 2.75Å; R272-L274 VanDerWaalsContact C-N 3.27Å; R272-L274 PolarHBondContact O-N 3.46Å; R272-R275 WeakPolarHBondContact O-CB 3.37Å; R272-R275 PolarHBondContact O-N 3.22Å; R272-D276 PolarHBondContact O-N 2.91Å
273D87.4Confident83.4Confident75 Ų7565.8 Ų65.840%0.40132%0.319SS..Hα-helixtrans-58.6-40.2179-60.9-20.6000111.7K269 L270 D276 N277 L897K269-D273 VanDerWaalsContact O-CG 3.28Å; K269-D273 PolarHBondContact O-N 3.02Å; L270-D273 PolarHBondContact O-N 3.45Å; D273-D276 PolarHBondContact O-N 3.4Å; D273-N277 WeakPolarHBondContact O-CB 3.49Å; D273-N277 PolarHBondContact O-N 3.28Å; D273-L897 HydrophobicContact CB-CD1 4.17Å; D273-L897 HydrophobicContact CB-CD2 4.4Å
274L86.1Confident83.3Confident8 Ų867.6 Ų67.64%0.04233%0.328CS..Hα-helixtrans-69.9-37.8177.2-167.6151.1000112.5L270 R272 N277 R278 E898 M901L270-L274 WeakPolarHBondContact O-CB 3.43Å; L270-L274 PolarHBondContact O-N 2.84Å; R272-L274 VanDerWaalsContact C-N 3.27Å; R272-L274 PolarHBondContact O-N 3.46Å; L274-N277 PolarHBondContact O-N 3.34Å; L274-R278 HydrophobicContact CD2-CG 4.01Å; L274-R278 VanDerWaalsContact CD2-NE 3.27Å; L274-R278 WeakPolarHBondContact O-CB 3.39Å; L274-R278 WeakPolarHBondContact O-CG 3.46Å; L274-R278 PolarHBondContact O-N 3.38Å; L274-E898 HydrophobicContact CD1-CB 4.42Å; L274-E898 HydrophobicContact CD1-CG 3.31Å; L274-M901 HydrophobicContact CB-CE 3.85Å; L274-M901 HydrophobicContact CD1-CE 3.39Å; L274-M901 HydrophobicContact CG-CE 4.16Å
275R81.2Confident83.3Confident135 Ų13569.8 Ų69.851%0.50933%0.332SS..Hα-helixtrans-64.3-43.5173.4-85179.4-77.1-150-5.1111.2E271 R272 N277 R278 L279E271-R275 WeakPolarHBondContact O-CB 3.5Å; E271-R275 VanDerWaalsContact O-CG 3.3Å; E271-R275 WeakPolarHBondContact O-CG 3.38Å; E271-R275 PolarHBondContact O-N 2.88Å; E271-R275 VanDerWaalsContact O-N 3.13Å; E271-R275 PolarHBondContact O-NE 3.5Å; E271-R275 IonicContact OE2-NH2 3.42Å; R272-R275 WeakPolarHBondContact O-CB 3.37Å; R272-R275 PolarHBondContact O-N 3.22Å; R275-N277 VanDerWaalsContact C-N 3.32Å; R275-N277 PolarHBondContact O-N 3.23Å; R275-R278 PolarHBondContact O-N 3.24Å; R275-L279 WeakPolarHBondContact O-CB 3.42Å; R275-L279 PolarHBondContact O-N 3.48Å
276D84.6Confident83.1Confident93 Ų9370.3 Ų70.350%0.49734%0.335SS..Hα-helixtrans-63.8-40.9177.8-67.9-8.9000110.6R272 D273 L279 K280R272-D276 PolarHBondContact O-N 2.91Å; D273-D276 PolarHBondContact O-N 3.4Å; D276-L279 PolarHBondContact O-N 2.74Å; D276-K280 VanDerWaalsContact O-CG 3.31Å; D276-K280 WeakPolarHBondContact O-CG 3.45Å; D276-K280 PolarHBondContact O-N 2.86Å
277N84.9Confident82.9Confident4 Ų472.1 Ų72.12%0.02134%0.338CS..Hα-helixtrans-69.4-38.5175-78-5000112.8D273 L274 R275 L279 K280 E281 L890 E893 L897D273-N277 WeakPolarHBondContact O-CB 3.49Å; D273-N277 PolarHBondContact O-N 3.28Å; L274-N277 PolarHBondContact O-N 3.34Å; R275-N277 VanDerWaalsContact C-N 3.32Å; R275-N277 PolarHBondContact O-N 3.23Å; N277-L279 VanDerWaalsContact C-N 3.28Å; N277-L279 PolarHBondContact O-N 3.4Å; N277-K280 CarbonylContact O-C 3.54Å; N277-K280 PolarHBondContact O-N 2.97Å; N277-K280 PolarHBondContact OD1-NZ 3.5Å; N277-K280 VanDerWaalsContact OD1-NZ 3.07Å; N277-E281 WeakPolarHBondContact O-CB 3.48Å; N277-E281 PolarHBondContact O-N 3.11Å; N277-L890 HydrophobicContact CB-CD2 4.24Å; N277-L890 VanDerWaalsContact O-CD2 3.24Å; N277-L890 WeakPolarHBondContact O-CD2 3.29Å; N277-E893 VanDerWaalsContact ND2-CD 3.34Å; N277-E893 PolarHBondContact ND2-OE1 2.9Å; N277-L897 VanDerWaalsContact ND2-CD1 3.29Å; N277-L897 WeakPolarHBondContact ND2-CD1 3.21Å
278R81.2Confident82.7Confident127 Ų12772.5 Ų72.548%0.47934%0.341SS..Hα-helixtrans-62.9-34.4172.2-78.8-175.9179.5159.27.7112.9L274 R275 E281 A282 E898L274-R278 HydrophobicContact CD2-CG 4.01Å; L274-R278 VanDerWaalsContact CD2-NE 3.27Å; L274-R278 WeakPolarHBondContact O-CB 3.39Å; L274-R278 WeakPolarHBondContact O-CG 3.46Å; L274-R278 PolarHBondContact O-N 3.38Å; R275-R278 PolarHBondContact O-N 3.24Å; R278-E281 WeakPolarHBondContact O-CB 3.32Å; R278-E281 PolarHBondContact O-N 3.39Å; R278-A282 PolarHBondContact O-N 3.09Å; R278-E898 IonicContact NH2-OE1 3.97Å; R278-E898 PolarHBondContact NH2-OE1 3.15Å
279L80.4Confident82.6Confident80 Ų8074.9 Ų74.942%0.41935%0.352SS..Hα-helixtrans-69.3-42.5175.4-168.3125.2000111R275 D276 N277 E281 A282 Q283R275-L279 WeakPolarHBondContact O-CB 3.42Å; R275-L279 PolarHBondContact O-N 3.48Å; D276-L279 PolarHBondContact O-N 2.74Å; N277-L279 VanDerWaalsContact C-N 3.28Å; N277-L279 PolarHBondContact O-N 3.4Å; L279-E281 VanDerWaalsContact C-N 3.31Å; L279-E281 PolarHBondContact O-N 3.5Å; L279-A282 PolarHBondContact O-N 3.23Å; L279-Q283 WeakPolarHBondContact O-CG 3.34Å; L279-Q283 PolarHBondContact O-N 3.37Å
280K83.6Confident82.3Confident94 Ų9471.6 Ų71.641%0.40934%0.339SS..Hα-helixtrans-63.3-35.9171.6-66.7170.1-164161.20112.2D276 N277 Q283 M284 L890D276-K280 VanDerWaalsContact O-CG 3.31Å; D276-K280 WeakPolarHBondContact O-CG 3.45Å; D276-K280 PolarHBondContact O-N 2.86Å; N277-K280 CarbonylContact O-C 3.54Å; N277-K280 PolarHBondContact O-N 2.97Å; N277-K280 PolarHBondContact OD1-NZ 3.5Å; N277-K280 VanDerWaalsContact OD1-NZ 3.07Å; K280-Q283 PolarHBondContact O-N 3.49Å; K280-M284 WeakPolarHBondContact O-CB 2.98Å; K280-M284 VanDerWaalsContact O-CG 3.22Å; K280-M284 WeakPolarHBondContact O-CG 3.19Å; K280-M284 PolarHBondContact O-N 3.29Å; K280-L890 HydrophobicContact CB-CD1 3.72Å; K280-L890 HydrophobicContact CB-CD2 4.22Å; K280-L890 HydrophobicContact CD-CD1 4.16Å
281E83.4Confident81.9Confident37 Ų3771 Ų7117%0.17334%0.336CS..Hα-helixtrans-61.4-50.5174.8-175.4-163.5172.100110.4N277 R278 L279 Q283 M284 Q285 L887 L890 L891 Q894N277-E281 WeakPolarHBondContact O-CB 3.48Å; N277-E281 PolarHBondContact O-N 3.11Å; R278-E281 WeakPolarHBondContact O-CB 3.32Å; R278-E281 PolarHBondContact O-N 3.39Å; L279-E281 VanDerWaalsContact C-N 3.31Å; L279-E281 PolarHBondContact O-N 3.5Å; E281-Q283 VanDerWaalsContact C-N 3.29Å; E281-Q283 PolarHBondContact O-N 3.39Å; E281-M284 PolarHBondContact O-N 3.31Å; E281-Q285 HydrophobicContact CG-CG 4.47Å; E281-Q285 WeakPolarHBondContact O-CB 3.15Å; E281-Q285 WeakPolarHBondContact O-CG 3.33Å; E281-Q285 PolarHBondContact O-N 3.27Å; E281-Q285 PolarHBondContact OE1-NE2 3.05Å; E281-L887 HydrophobicContact CG-CD1 4.05Å; E281-L890 HydrophobicContact CB-CD2 4.01Å; E281-L891 HydrophobicContact CG-CD2 4.33Å; E281-Q894 PolarHBondContact OE2-OE1 3.44Å
282A78.9Confident81.8Confident55 Ų5572 Ų7246%0.45534%0.341SS..Hα-helixtrans-60.4-39.7177.600000112R278 L279 Q285 D286R278-A282 PolarHBondContact O-N 3.09Å; L279-A282 PolarHBondContact O-N 3.23Å; A282-Q285 PolarHBondContact O-N 3.28Å; A282-D286 PolarHBondContact O-N 3.08Å; A282-D286 VanDerWaalsContact O-N 3.08Å
283Q80.1Confident81.6Confident90 Ų9068.8 Ų68.842%0.42134%0.34SS..Hα-helixtrans-64.4-44.1174.5-72.4174.1-6.800112.4L279 K280 E281 E287L279-Q283 WeakPolarHBondContact O-CG 3.34Å; L279-Q283 PolarHBondContact O-N 3.37Å; K280-Q283 PolarHBondContact O-N 3.49Å; E281-Q283 VanDerWaalsContact C-N 3.29Å; E281-Q283 PolarHBondContact O-N 3.39Å; Q283-E287 PolarHBondContact O-N 3.06Å
284M83.2Confident81Confident42 Ų4266.5 Ų66.521%0.20733%0.33CS..Hα-helixtrans-69.5-34.4178-72.5-79.513100111.8K280 E281 E287 V288 V883 R886 L887K280-M284 WeakPolarHBondContact O-CB 2.98Å; K280-M284 VanDerWaalsContact O-CG 3.22Å; K280-M284 WeakPolarHBondContact O-CG 3.19Å; K280-M284 PolarHBondContact O-N 3.29Å; E281-M284 PolarHBondContact O-N 3.31Å; M284-E287 WeakPolarHBondContact CE-OE2 3.19Å; M284-E287 PolarHBondContact O-N 3.19Å; M284-V288 VanDerWaalsContact O-CG2 3.32Å; M284-V288 WeakPolarHBondContact O-CG2 3.09Å; M284-V288 PolarHBondContact O-N 3.03Å; M284-V883 HydrophobicContact SD-CG1 4.34Å; M284-R886 HydrophobicContact SD-CB 4.48Å; M284-L887 HydrophobicContact CB-CD1 4.09Å
285Q81.6Confident80.7Confident84 Ų8467.1 Ų67.139%0.39333%0.334SS..Hα-helixtrans-65.2-44.3174.7-79175-4.300111.7E281 A282 E287 V288 E289 L887E281-Q285 HydrophobicContact CG-CG 4.47Å; E281-Q285 WeakPolarHBondContact O-CB 3.15Å; E281-Q285 WeakPolarHBondContact O-CG 3.33Å; E281-Q285 PolarHBondContact O-N 3.27Å; E281-Q285 PolarHBondContact OE1-NE2 3.05Å; A282-Q285 PolarHBondContact O-N 3.28Å; Q285-E287 VanDerWaalsContact C-N 3.3Å; Q285-E287 PolarHBondContact O-N 3.19Å; Q285-V288 PolarHBondContact O-N 3.42Å; Q285-E289 PolarHBondContact O-N 3.29Å; Q285-L887 HydrophobicContact CG-CD1 4.27Å; Q285-L887 HydrophobicContact CG-CD2 4.36Å
286D78.2Confident80.6Confident82 Ų8263.3 Ų63.344%0.43933%0.328SS..Hα-helixtrans-62.8-38.1172.9-173.441.2000111.1A282 E289 Q290A282-D286 PolarHBondContact O-N 3.08Å; A282-D286 VanDerWaalsContact O-N 3.08Å; D286-E289 PolarHBondContact O-N 3.49Å; D286-Q290 VanDerWaalsContact CG-NE2 3.29Å; D286-Q290 WeakPolarHBondContact O-CB 3.12Å; D286-Q290 VanDerWaalsContact O-CG 3.24Å; D286-Q290 WeakPolarHBondContact O-CG 3.44Å; D286-Q290 PolarHBondContact O-N 2.8Å; D286-Q290 PolarHBondContact OD1-NE2 2.85Å; D286-Q290 PolarHBondContact OD2-NE2 3.48Å
287E80.1Confident80.3Confident68 Ų6863.9 Ų63.932%0.31833%0.331SS..Hα-helixtrans-63.5-41.7172.8-168171.1-169.500112.1Q283 M284 Q285 Q290 V291 V883Q283-E287 PolarHBondContact O-N 3.06Å; M284-E287 WeakPolarHBondContact CE-OE2 3.19Å; M284-E287 PolarHBondContact O-N 3.19Å; Q285-E287 VanDerWaalsContact C-N 3.3Å; Q285-E287 PolarHBondContact O-N 3.19Å; E287-Q290 PolarHBondContact O-N 3.31Å; E287-V291 HydrophobicContact CG-CG2 4.41Å; E287-V291 WeakPolarHBondContact O-CB 3.38Å; E287-V291 WeakPolarHBondContact O-CG2 3.17Å; E287-V291 PolarHBondContact O-N 3.19Å; E287-V883 HydrophobicContact CB-CG1 4.46Å; E287-V883 HydrophobicContact CG-CG1 4.34Å; E287-V883 HydrophobicContact CG-CG2 4.42Å
288V80.6Confident80.1Confident18 Ų1865.3 Ų65.311%0.10934%0.34CS..Hα-helixtrans-60.3-48.8173.9170.70000110.8M284 Q285 Q290 V291 Q292 V883 L887M284-V288 VanDerWaalsContact O-CG2 3.32Å; M284-V288 WeakPolarHBondContact O-CG2 3.09Å; M284-V288 PolarHBondContact O-N 3.03Å; Q285-V288 PolarHBondContact O-N 3.42Å; V288-Q290 VanDerWaalsContact C-N 3.34Å; V288-Q290 PolarHBondContact O-N 3.36Å; V288-V291 PolarHBondContact O-N 2.79Å; V288-Q292 HydrophobicContact CG1-CG 4.14Å; V288-Q292 VanDerWaalsContact O-CB 3.32Å; V288-Q292 WeakPolarHBondContact O-CB 3.32Å; V288-Q292 VanDerWaalsContact O-CG 3.28Å; V288-Q292 WeakPolarHBondContact O-CG 3.38Å; V288-Q292 PolarHBondContact O-N 2.94Å; V288-V883 HydrophobicContact CG2-CB 4.4Å; V288-V883 HydrophobicContact CG2-CG1 3.48Å; V288-V883 VanDerWaalsContact CG2-CG1 3.48Å; V288-L887 HydrophobicContact CG2-CD2 4.21Å
289E79.4Confident80.2Confident135 Ų13561.9 Ų61.963%0.63133%0.331SS*.Hα-helixtrans-61.3-42.2179.4-74.8-173-179.800111.7Q285 D286 Q292 A293Q285-E289 PolarHBondContact O-N 3.29Å; D286-E289 PolarHBondContact O-N 3.49Å; E289-Q292 PolarHBondContact O-N 2.69Å; E289-A293 WeakPolarHBondContact O-CB 3.27Å; E289-A293 PolarHBondContact O-N 3.23Å
290Q79.4Confident80.2Confident65 Ų6563.5 Ų63.530%0.30434%0.337SS..Hα-helixtrans-66-41.3177.3-72.317528.200112.6D286 E287 V288 S294D286-Q290 VanDerWaalsContact CG-NE2 3.29Å; D286-Q290 WeakPolarHBondContact O-CB 3.12Å; D286-Q290 VanDerWaalsContact O-CG 3.24Å; D286-Q290 WeakPolarHBondContact O-CG 3.44Å; D286-Q290 PolarHBondContact O-N 2.8Å; D286-Q290 PolarHBondContact OD1-NE2 2.85Å; D286-Q290 PolarHBondContact OD2-NE2 3.48Å; E287-Q290 PolarHBondContact O-N 3.31Å; V288-Q290 VanDerWaalsContact C-N 3.34Å; V288-Q290 PolarHBondContact O-N 3.36Å; Q290-S294 PolarHBondContact O-N 2.83Å; Q290-S294 VanDerWaalsContact O-N 3.08Å
291V79.3Confident80.1Confident6 Ų664.1 Ų64.14%0.03634%0.336CS..Hα-helixtrans-69.5-42.4177.1178.80000110.1E287 V288 A293 S294 V295 V880E287-V291 HydrophobicContact CG-CG2 4.41Å; E287-V291 WeakPolarHBondContact O-CB 3.38Å; E287-V291 WeakPolarHBondContact O-CG2 3.17Å; E287-V291 PolarHBondContact O-N 3.19Å; V288-V291 PolarHBondContact O-N 2.79Å; V291-A293 PolarHBondContact O-N 3.47Å; V291-S294 WeakPolarHBondContact O-CB 3.31Å; V291-S294 PolarHBondContact O-N 2.72Å; V291-S294 VanDerWaalsContact O-N 3.13Å; V291-S294 PolarHBondContact O-OG 3.15Å; V291-V295 WeakPolarHBondContact O-CG2 3.49Å; V291-V295 PolarHBondContact O-N 3.17Å; V291-V880 HydrophobicContact CB-CG2 4.42Å; V291-V880 HydrophobicContact CG1-CG2 3.46Å; V291-V880 VanDerWaalsContact CG1-CG2 3.46Å
292Q80.2Confident80.4Confident91 Ų9165.7 Ų65.743%0.42534%0.341SS..Hα-helixtrans-62.9-39.3176.2-74.9-179-5.700112.4V288 E289 S294 V295 S296V288-Q292 HydrophobicContact CG1-CG 4.14Å; V288-Q292 VanDerWaalsContact O-CB 3.32Å; V288-Q292 WeakPolarHBondContact O-CB 3.32Å; V288-Q292 VanDerWaalsContact O-CG 3.28Å; V288-Q292 WeakPolarHBondContact O-CG 3.38Å; V288-Q292 PolarHBondContact O-N 2.94Å; E289-Q292 PolarHBondContact O-N 2.69Å; Q292-S294 VanDerWaalsContact C-N 3.34Å; Q292-S294 PolarHBondContact O-N 2.72Å; Q292-V295 PolarHBondContact O-N 3.31Å; Q292-S296 PolarHBondContact O-N 3.32Å
293A79.1Confident80.4Confident55 Ų5567.2 Ų67.246%0.45534%0.338SS..Hα-helixtrans-60.2-44.2171.900000111.2E289 V291 V295 S296 D297E289-A293 WeakPolarHBondContact O-CB 3.27Å; E289-A293 PolarHBondContact O-N 3.23Å; V291-A293 PolarHBondContact O-N 3.47Å; A293-V295 VanDerWaalsContact C-N 3.34Å; A293-V295 PolarHBondContact O-N 3.36Å; A293-S296 WeakPolarHBondContact O-CB 3.41Å; A293-S296 PolarHBondContact O-N 3.02Å; A293-D297 PolarHBondContact O-N 3.1Å; A293-D297 VanDerWaalsContact O-N 3.1Å
294S76.1Confident80.5Confident28 Ų2868 Ų6820%0.19634%0.342CS..Hα-helixtrans-63.3-37.3175.777.70000112.9Q290 V291 Q292 D297 V298Q290-S294 PolarHBondContact O-N 2.83Å; Q290-S294 VanDerWaalsContact O-N 3.08Å; V291-S294 WeakPolarHBondContact O-CB 3.31Å; V291-S294 PolarHBondContact O-N 2.72Å; V291-S294 VanDerWaalsContact O-N 3.13Å; V291-S294 PolarHBondContact O-OG 3.15Å; Q292-S294 VanDerWaalsContact C-N 3.34Å; Q292-S294 PolarHBondContact O-N 2.72Å; S294-D297 PolarHBondContact O-N 2.84Å; S294-V298 VanDerWaalsContact O-CG2 3.27Å; S294-V298 WeakPolarHBondContact O-CG2 3.18Å; S294-V298 PolarHBondContact O-N 3.19Å; S294-V298 VanDerWaalsContact O-N 3.14Å
295V79.8Confident80.5Confident20 Ų2066.2 Ų66.212%0.12133%0.333CS..Hα-helixtrans-64.4-42.1174.8171.50000110.9V291 Q292 A293 D297 V298 L299 A876 V880V291-V295 WeakPolarHBondContact O-CG2 3.49Å; V291-V295 PolarHBondContact O-N 3.17Å; Q292-V295 PolarHBondContact O-N 3.31Å; A293-V295 VanDerWaalsContact C-N 3.34Å; A293-V295 PolarHBondContact O-N 3.36Å; V295-D297 PolarHBondContact O-N 3.21Å; V295-V298 PolarHBondContact O-N 3.26Å; V295-L299 HydrophobicContact CG1-CD1 3.81Å; V295-L299 HydrophobicContact CG1-CG 4.23Å; V295-L299 WeakPolarHBondContact O-CB 3.44Å; V295-L299 VanDerWaalsContact O-CG 3.31Å; V295-L299 WeakPolarHBondContact O-CG 3.27Å; V295-L299 PolarHBondContact O-N 3.05Å; V295-A876 HydrophobicContact CG2-CB 3.64Å; V295-V880 HydrophobicContact CG2-CG2 3.86Å
296S78.5Confident80.7Confident55 Ų5565.6 Ų65.639%0.38533%0.33SS..Hα-helixtrans-60.2-44176.9178.10000111.9Q292 A293 V298 L299 Q300Q292-S296 PolarHBondContact O-N 3.32Å; A293-S296 WeakPolarHBondContact O-CB 3.41Å; A293-S296 PolarHBondContact O-N 3.02Å; S296-V298 PolarHBondContact O-N 3.32Å; S296-L299 PolarHBondContact O-N 3.34Å; S296-Q300 WeakPolarHBondContact O-CG 3.45Å; S296-Q300 PolarHBondContact O-N 3.18Å
297D77.9Confident80.9Confident106 Ų10667 Ų6757%0.56734%0.337SS*.Hα-helixtrans-62.4-42.9177.9-72.4-11.4000111.9A293 S294 V295 Q300 R301A293-D297 PolarHBondContact O-N 3.1Å; A293-D297 VanDerWaalsContact O-N 3.1Å; S294-D297 PolarHBondContact O-N 2.84Å; V295-D297 PolarHBondContact O-N 3.21Å; D297-Q300 PolarHBondContact O-N 3.28Å; D297-R301 PolarHBondContact O-N 3.38Å; D297-R301 VanDerWaalsContact O-N 3.12Å
298V80.8Confident81Confident34 Ų3466.2 Ų66.221%0.20634%0.337CS..Hα-helixtrans-69.3-37.9178.2-176.30000111.2S294 V295 S296 R301 R302 V869 L872 I873S294-V298 VanDerWaalsContact O-CG2 3.27Å; S294-V298 WeakPolarHBondContact O-CG2 3.18Å; S294-V298 PolarHBondContact O-N 3.19Å; S294-V298 VanDerWaalsContact O-N 3.14Å; V295-V298 PolarHBondContact O-N 3.26Å; S296-V298 PolarHBondContact O-N 3.32Å; V298-R301 WeakPolarHBondContact O-CB 3.47Å; V298-R301 PolarHBondContact O-N 3.48Å; V298-R302 PolarHBondContact O-N 2.91Å; V298-V869 HydrophobicContact CG1-CG1 3.77Å; V298-L872 HydrophobicContact CG1-CB 4.22Å; V298-I873 HydrophobicContact CB-CG1 4.25Å; V298-I873 HydrophobicContact CG1-CD1 4.14Å; V298-I873 HydrophobicContact CG1-CG1 3.4Å; V298-I873 VanDerWaalsContact CG1-CG1 3.4Å
299L83.2Confident81.2Confident54 Ų5466.4 Ų66.428%0.28334%0.337SS..Hα-helixtrans-62.9-40.9174-76.8170.9000112.1V295 S296 R301 R302 E303 I873V295-L299 HydrophobicContact CG1-CD1 3.81Å; V295-L299 HydrophobicContact CG1-CG 4.23Å; V295-L299 WeakPolarHBondContact O-CB 3.44Å; V295-L299 VanDerWaalsContact O-CG 3.31Å; V295-L299 WeakPolarHBondContact O-CG 3.27Å; V295-L299 PolarHBondContact O-N 3.05Å; S296-L299 PolarHBondContact O-N 3.34Å; L299-R301 VanDerWaalsContact C-N 3.31Å; L299-R301 PolarHBondContact O-N 3.34Å; L299-R302 WeakPolarHBondContact O-CB 3.3Å; L299-R302 PolarHBondContact O-N 3.23Å; L299-E303 PolarHBondContact O-N 3.48Å; L299-E303 VanDerWaalsContact O-N 3.09Å; L299-I873 HydrophobicContact CD2-CD1 3.97Å; L299-I873 HydrophobicContact CD2-CG2 4.44Å
300Q81.2Confident81.3Confident115 Ų11562.3 Ų62.354%0.53733%0.327SS..Hα-helixtrans-61.6-40.6173.7-74.2-176.23.800111.8S296 D297 R302 E303 Q304S296-Q300 WeakPolarHBondContact O-CG 3.45Å; S296-Q300 PolarHBondContact O-N 3.18Å; D297-Q300 PolarHBondContact O-N 3.28Å; Q300-R302 VanDerWaalsContact C-N 3.33Å; Q300-R302 PolarHBondContact O-N 2.93Å; Q300-E303 PolarHBondContact O-N 3.02Å; Q300-Q304 WeakPolarHBondContact O-CG 3.36Å; Q300-Q304 PolarHBondContact O-N 3.33Å; Q300-Q304 VanDerWaalsContact O-N 3.14Å
301R82.1Confident81.1Confident107 Ų10764.4 Ų64.440%0.40434%0.34SS..Hα-helixtrans-62.8-39.7175.2-176.761-178.8171.44.6111.9D297 V298 L299 Q304 L305 E865 V869D297-R301 PolarHBondContact O-N 3.38Å; D297-R301 VanDerWaalsContact O-N 3.12Å; V298-R301 WeakPolarHBondContact O-CB 3.47Å; V298-R301 PolarHBondContact O-N 3.48Å; L299-R301 VanDerWaalsContact C-N 3.31Å; L299-R301 PolarHBondContact O-N 3.34Å; R301-Q304 PolarHBondContact O-N 3.06Å; R301-L305 HydrophobicContact CG-CD1 4.23Å; R301-L305 WeakPolarHBondContact O-CG 3.36Å; R301-L305 PolarHBondContact O-N 2.97Å; R301-E865 IonicContact CZ-OE2 3.8Å; R301-E865 IonicContact NH2-OE2 2.67Å; R301-E865 PolarHBondContact NH2-OE2 3.26Å; R301-V869 HydrophobicContact CG-CG2 4.01Å
302R87.9Confident81.2Confident70 Ų7067.1 Ų67.126%0.26435%0.35SS..Hα-helixtrans-58.7-50.1174.9-172.3-16371.1-170.20.5111.7V298 L299 Q300 Q304 L305 Q306 L866 V869 I873V298-R302 PolarHBondContact O-N 2.91Å; L299-R302 WeakPolarHBondContact O-CB 3.3Å; L299-R302 PolarHBondContact O-N 3.23Å; Q300-R302 VanDerWaalsContact C-N 3.33Å; Q300-R302 PolarHBondContact O-N 2.93Å; R302-Q304 VanDerWaalsContact C-N 3.33Å; R302-Q304 PolarHBondContact O-N 3Å; R302-L305 PolarHBondContact O-N 3.01Å; R302-Q306 HydrophobicContact CG-CG 4.44Å; R302-Q306 WeakPolarHBondContact O-CG 3.28Å; R302-Q306 PolarHBondContact O-N 3.06Å; R302-L866 HydrophobicContact CG-CD1 3.64Å; R302-V869 HydrophobicContact CB-CG1 3.93Å; R302-I873 HydrophobicContact CB-CD1 3.89Å; R302-I873 HydrophobicContact CG-CD1 4.14Å
303E80.1Confident81.2Confident87 Ų8764.1 Ų64.141%0.40734%0.339SS..Hα-helixtrans-60.6-41.7-179.8-68.1-60.7136.600111.9L299 Q300 L305 Q306 L307L299-E303 PolarHBondContact O-N 3.48Å; L299-E303 VanDerWaalsContact O-N 3.09Å; Q300-E303 PolarHBondContact O-N 3.02Å; E303-L305 PolarHBondContact O-N 3.19Å; E303-Q306 PolarHBondContact O-N 3.17Å; E303-L307 WeakPolarHBondContact O-CG 3.49Å; E303-L307 PolarHBondContact O-N 3.42Å
304Q81.8Confident81Confident105 Ų10563.9 Ų63.949%0.49134%0.337SS..Hα-helixtrans-61.4-43.3175.6-71.2175.61.800112.3Q300 R301 R302 T308Q300-Q304 WeakPolarHBondContact O-CG 3.36Å; Q300-Q304 PolarHBondContact O-N 3.33Å; Q300-Q304 VanDerWaalsContact O-N 3.14Å; R301-Q304 PolarHBondContact O-N 3.06Å; R302-Q304 VanDerWaalsContact C-N 3.33Å; R302-Q304 PolarHBondContact O-N 3Å; Q304-T308 WeakPolarHBondContact O-CB 3.2Å; Q304-T308 PolarHBondContact O-N 3.02Å; Q304-T308 PolarHBondContact O-OG1 2.83Å
305L83.9Confident80.9Confident6 Ų666.3 Ų66.33%0.03135%0.351CS..Hα-helixtrans-66.9-41.5177.5-75.7170.4000111.7R301 R302 E303 L307 T308 I309 E865 L866 V869R301-L305 HydrophobicContact CG-CD1 4.23Å; R301-L305 WeakPolarHBondContact O-CG 3.36Å; R301-L305 PolarHBondContact O-N 2.97Å; R302-L305 PolarHBondContact O-N 3.01Å; E303-L305 PolarHBondContact O-N 3.19Å; L305-L307 PolarHBondContact O-N 2.93Å; L305-T308 PolarHBondContact O-N 2.72Å; L305-I309 WeakPolarHBondContact O-CB 3.4Å; L305-I309 VanDerWaalsContact O-CG1 3.27Å; L305-I309 WeakPolarHBondContact O-CG1 3.31Å; L305-I309 PolarHBondContact O-N 3.36Å; L305-E865 HydrophobicContact CD1-CB 3.97Å; L305-E865 HydrophobicContact CD2-CB 4.07Å; L305-L866 HydrophobicContact CB-CD1 4.15Å; L305-V869 HydrophobicContact CD1-CB 4.36Å; L305-V869 HydrophobicContact CD1-CG2 3.82Å
306Q85.6Confident80.8Confident71 Ų7166 Ų6633%0.33235%0.348SS..Hα-helixtrans-62.5-42.3177.2-75.3-178.3-13.100112.4R302 E303 I309 A310 L866R302-Q306 HydrophobicContact CG-CG 4.44Å; R302-Q306 WeakPolarHBondContact O-CG 3.28Å; R302-Q306 PolarHBondContact O-N 3.06Å; E303-Q306 PolarHBondContact O-N 3.17Å; Q306-I309 PolarHBondContact O-N 3.49Å; Q306-A310 WeakPolarHBondContact O-CB 3.48Å; Q306-A310 PolarHBondContact O-N 3.2Å; Q306-L866 HydrophobicContact CG-CD1 3.86Å; Q306-L866 HydrophobicContact CG-CD2 4.04Å
307L81.8Confident80.7Confident112 Ų11271.5 Ų71.559%0.58636%0.361SS*.Hα-helixtrans-61.3-44.4173.1-71.5169.6000111.4E303 L305 A310 D311E303-L307 WeakPolarHBondContact O-CG 3.49Å; E303-L307 PolarHBondContact O-N 3.42Å; L305-L307 PolarHBondContact O-N 2.93Å; L307-A310 WeakPolarHBondContact O-CB 3.44Å; L307-A310 PolarHBondContact O-N 2.99Å; L307-D311 PolarHBondContact O-N 3.43Å
308T81.7Confident80.5Confident50 Ų5068.6 Ų68.631%0.30736%0.355SS..Hα-helixtrans-63.5-43.3179-55.60000112Q304 L305 D311 Y312Q304-T308 WeakPolarHBondContact O-CB 3.2Å; Q304-T308 PolarHBondContact O-N 3.02Å; Q304-T308 PolarHBondContact O-OG1 2.83Å; L305-T308 PolarHBondContact O-N 2.72Å; T308-D311 PolarHBondContact O-N 3.49Å; T308-Y312 HydrophobicContact CG2-CD2 3.83Å; T308-Y312 HydrophobicContact CG2-CE2 3.34Å; T308-Y312 WeakPolarHBondContact O-CD2 3.45Å; T308-Y312 PolarHBondContact O-N 3.02Å
309I84.8Confident80Confident23 Ų2368.1 Ų68.112%0.11836%0.358CS..Hα-helixtrans-62.9-42.6174.2-71.3164.5000110.5L305 Q306 D311 Y312 S313 L859 E863 L866L305-I309 WeakPolarHBondContact O-CB 3.4Å; L305-I309 VanDerWaalsContact O-CG1 3.27Å; L305-I309 WeakPolarHBondContact O-CG1 3.31Å; L305-I309 PolarHBondContact O-N 3.36Å; Q306-I309 PolarHBondContact O-N 3.49Å; I309-D311 VanDerWaalsContact C-N 3.34Å; I309-D311 PolarHBondContact O-N 3.47Å; I309-Y312 PolarHBondContact O-N 3.39Å; I309-S313 WeakPolarHBondContact O-CB 3.28Å; I309-S313 PolarHBondContact O-N 2.77Å; I309-S313 PolarHBondContact O-OG 3.15Å; I309-L859 HydrophobicContact CB-CD1 4.38Å; I309-L859 HydrophobicContact CG2-CD1 3.87Å; I309-E863 HydrophobicContact CD1-CG 4.18Å; I309-E863 HydrophobicContact CG1-CG 4.39Å; I309-E863 HydrophobicContact CG2-CG 4.42Å; I309-L866 HydrophobicContact CD1-CB 3.8Å; I309-L866 HydrophobicContact CD1-CD2 3.59Å; I309-L866 HydrophobicContact CD1-CG 4.26Å
310A81.6Confident79.4Confident49 Ų4969.5 Ų69.541%0.40536%0.361SS..Hα-helixtrans-59.6-45.8177.200000111Q306 L307 S313 A314Q306-A310 WeakPolarHBondContact O-CB 3.48Å; Q306-A310 PolarHBondContact O-N 3.2Å; L307-A310 WeakPolarHBondContact O-CB 3.44Å; L307-A310 PolarHBondContact O-N 2.99Å; A310-S313 PolarHBondContact O-N 3.43Å; A310-S313 PolarHBondContact O-OG 2.75Å; A310-A314 WeakPolarHBondContact O-CB 3.49Å; A310-A314 PolarHBondContact O-N 2.79Å
311D76.5Confident79.2Confident109 Ų10966.8 Ų66.858%0.58336%0.355SS*.Hα-helixtrans-63.8-47177.6-73.4-17.4000112.4L307 T308 I309 A314 T315L307-D311 PolarHBondContact O-N 3.43Å; T308-D311 PolarHBondContact O-N 3.49Å; I309-D311 VanDerWaalsContact C-N 3.34Å; I309-D311 PolarHBondContact O-N 3.47Å; D311-A314 PolarHBondContact O-N 3.15Å; D311-T315 WeakPolarHBondContact O-CB 3.41Å; D311-T315 PolarHBondContact O-N 3.19Å; D311-T315 PolarHBondContact O-OG1 2.99Å
312Y80.4Confident78.7Confident62 Ų6263.7 Ų63.724%0.24335%0.353CS..Hα-helixtrans-62-44.1174.8-70.5-34.1000111.3T308 I309 A314 T315 L316 L855 R858 S862T308-Y312 HydrophobicContact CG2-CD2 3.83Å; T308-Y312 HydrophobicContact CG2-CE2 3.34Å; T308-Y312 WeakPolarHBondContact O-CD2 3.45Å; T308-Y312 PolarHBondContact O-N 3.02Å; I309-Y312 PolarHBondContact O-N 3.39Å; Y312-A314 VanDerWaalsContact C-N 3.34Å; Y312-A314 PolarHBondContact O-N 3.3Å; Y312-T315 PolarHBondContact O-N 2.95Å; Y312-L316 WeakPolarHBondContact O-CB 3.38Å; Y312-L316 PolarHBondContact O-N 2.84Å; Y312-L855 HydrophobicContact CD1-CD2 3.76Å; Y312-L855 HydrophobicContact CG-CD2 4.46Å; Y312-R858 HydrophobicContact CD2-CB 4.47Å; Y312-R858 HydrophobicContact CE2-CB 4.05Å; Y312-S862 WeakPolarHBondContact CE2-OG 3.31Å
313S79.5Confident78.1Confident28 Ų2864.9 Ų64.920%0.19636%0.357CS..Hα-helixtrans-64.3-36.1178.6820000112.9I309 A310 R317I309-S313 WeakPolarHBondContact O-CB 3.28Å; I309-S313 PolarHBondContact O-N 2.77Å; I309-S313 PolarHBondContact O-OG 3.15Å; A310-S313 PolarHBondContact O-N 3.43Å; A310-S313 PolarHBondContact O-OG 2.75Å; S313-R317 WeakPolarHBondContact O-CB 3.32Å; S313-R317 WeakPolarHBondContact O-CG 3.42Å; S313-R317 PolarHBondContact O-N 2.68Å; S313-R317 PolarHBondContact O-NE 2.83Å; S313-R317 PolarHBondContact OG-NH2 3.07Å
314A75.9Confident78Confident51 Ų5166.8 Ų66.842%0.42137%0.366SS..Hα-helixtrans-70.3-43.7176.900000110.5A310 D311 Y312 L316 R317 G318A310-A314 WeakPolarHBondContact O-CB 3.49Å; A310-A314 PolarHBondContact O-N 2.79Å; D311-A314 PolarHBondContact O-N 3.15Å; Y312-A314 VanDerWaalsContact C-N 3.34Å; Y312-A314 PolarHBondContact O-N 3.3Å; A314-L316 VanDerWaalsContact C-N 3.35Å; A314-L316 PolarHBondContact O-N 3.49Å; A314-R317 PolarHBondContact O-N 3.38Å; A314-G318 PolarHBondContact O-N 3.25Å
315T74.6Confident78Confident78 Ų7869.3 Ų69.348%0.47937%0.371SS..Hα-helixtrans-62.7-42.2175.6-53.40000111.2D311 Y312 G318 G319 L855D311-T315 WeakPolarHBondContact O-CB 3.41Å; D311-T315 PolarHBondContact O-N 3.19Å; D311-T315 PolarHBondContact O-OG1 2.99Å; Y312-T315 PolarHBondContact O-N 2.95Å; T315-G318 PolarHBondContact O-N 3.43Å; T315-G319 PolarHBondContact O-N 3.18Å; T315-L855 HydrophobicContact CG2-CD1 4.1Å; T315-L855 HydrophobicContact CG2-CD2 3.89Å
316L76.1Confident77.7Confident14 Ų1469.3 Ų69.37%0.07337%0.372CS..Hα-helixtrans-71.4-37.7-179.7-151.5155.7000111.5Y312 A314 G319 K320 L855 Q856 L859Y312-L316 WeakPolarHBondContact O-CB 3.38Å; Y312-L316 PolarHBondContact O-N 2.84Å; A314-L316 VanDerWaalsContact C-N 3.35Å; A314-L316 PolarHBondContact O-N 3.49Å; L316-G319 PolarHBondContact O-N 3.29Å; L316-K320 HydrophobicContact CD2-CD 3.76Å; L316-K320 HydrophobicContact CD2-CG 4.12Å; L316-K320 WeakPolarHBondContact O-CB 3.29Å; L316-K320 WeakPolarHBondContact O-CG 3.45Å; L316-K320 PolarHBondContact O-N 3.12Å; L316-L855 HydrophobicContact CD1-CB 4.5Å; L316-Q856 HydrophobicContact CD1-CB 3.83Å; L316-Q856 HydrophobicContact CD1-CG 4.12Å; L316-L859 HydrophobicContact CD1-CD2 3.91Å
317R77.2Confident77.5Confident171 Ų17168.9 Ų68.965%0.64538%0.377SS*.Hα-helixtrans-64.4-44.4170.4-82.3-177.2-77.1-176.4-6.5112.2S313 A314 G319 K320 S321S313-R317 WeakPolarHBondContact O-CB 3.32Å; S313-R317 WeakPolarHBondContact O-CG 3.42Å; S313-R317 PolarHBondContact O-N 2.68Å; S313-R317 PolarHBondContact O-NE 2.83Å; S313-R317 PolarHBondContact OG-NH2 3.07Å; A314-R317 PolarHBondContact O-N 3.38Å; R317-G319 VanDerWaalsContact C-N 3.34Å; R317-K320 PolarHBondContact O-N 3.31Å; R317-S321 WeakPolarHBondContact O-CB 3.42Å; R317-S321 PolarHBondContact O-N 2.64Å
318G73.2Confident77.5Confident44 Ų4469.2 Ų69.245%0.45438%0.375SS..Hα-helixtrans-61.5-43.4175.100000112.1A314 T315 A322A314-G318 PolarHBondContact O-N 3.25Å; T315-G318 PolarHBondContact O-N 3.43Å; G318-A322 WeakPolarHBondContact O-CB 3.38Å; G318-A322 PolarHBondContact O-N 3.1Å
319G70.9Confident77.6Confident25 Ų2570.5 Ų70.526%0.25838%0.378SS..Hα-helixtrans-62.6-48.9175.300000112.8T315 L316 R317 S321 A322 R323T315-G319 PolarHBondContact O-N 3.18Å; L316-G319 PolarHBondContact O-N 3.29Å; R317-G319 VanDerWaalsContact C-N 3.34Å; G319-S321 PolarHBondContact O-N 3.2Å; G319-A322 PolarHBondContact O-N 3.45Å; G319-R323 WeakPolarHBondContact O-CB 3.05Å; G319-R323 PolarHBondContact O-N 3.32Å
320K71.2Confident77.7Confident82 Ų8270 Ų7036%0.35738%0.375SS..Hα-helixtrans-58.9-47.9176.2-83.9179.9175.3172.90112.2L316 R317 A322 R323 E324 E852L316-K320 HydrophobicContact CD2-CD 3.76Å; L316-K320 HydrophobicContact CD2-CG 4.12Å; L316-K320 WeakPolarHBondContact O-CB 3.29Å; L316-K320 WeakPolarHBondContact O-CG 3.45Å; L316-K320 PolarHBondContact O-N 3.12Å; R317-K320 PolarHBondContact O-N 3.31Å; K320-A322 VanDerWaalsContact C-N 3.29Å; K320-A322 PolarHBondContact O-N 3.44Å; K320-R323 PolarHBondContact O-N 2.87Å; K320-E324 WeakPolarHBondContact O-CB 3.3Å; K320-E324 WeakPolarHBondContact O-CG 3.31Å; K320-E324 PolarHBondContact O-N 3.46Å; K320-E852 VanDerWaalsContact CG-OE1 3.27Å; K320-E852 WeakPolarHBondContact CG-OE1 2.81Å
321S75.3Confident77.9Confident58 Ų5870.9 Ų70.941%0.40638%0.379SS..Hα-helixtrans-64.7-33.4177.8179.60000112.6R317 G319 R325R317-S321 WeakPolarHBondContact O-CB 3.42Å; R317-S321 PolarHBondContact O-N 2.64Å; G319-S321 PolarHBondContact O-N 3.2Å; S321-R325 WeakPolarHBondContact O-CB 3.45Å; S321-R325 VanDerWaalsContact O-CG 3.29Å; S321-R325 WeakPolarHBondContact O-CG 3.36Å; S321-R325 PolarHBondContact O-N 3.16Å; S321-R325 PolarHBondContact O-NE 3.43Å
322A71.8Confident78.5Confident43 Ų4373.5 Ų73.536%0.35538%0.38SS..Hα-helixtrans-69.2-43.6171.900000111.6G318 G319 K320 R325 A326G318-A322 WeakPolarHBondContact O-CB 3.38Å; G318-A322 PolarHBondContact O-N 3.1Å; G319-A322 PolarHBondContact O-N 3.45Å; K320-A322 VanDerWaalsContact C-N 3.29Å; K320-A322 PolarHBondContact O-N 3.44Å; A322-R325 PolarHBondContact O-N 3.07Å; A322-A326 VanDerWaalsContact O-CB 3.3Å; A322-A326 WeakPolarHBondContact O-CB 3.39Å; A322-A326 PolarHBondContact O-N 3.49Å
323R75.9Confident78.7Confident95 Ų9570.7 Ų70.736%0.35837%0.37SS..Hα-helixtrans-64.5-44178.5-173.7-177.7-177.4174.87112.5G319 K320 A326 S327 V847 E852G319-R323 WeakPolarHBondContact O-CB 3.05Å; G319-R323 PolarHBondContact O-N 3.32Å; K320-R323 PolarHBondContact O-N 2.87Å; R323-A326 PolarHBondContact O-N 3.14Å; R323-S327 WeakPolarHBondContact O-CB 3.47Å; R323-S327 PolarHBondContact O-N 3.1Å; R323-V847 HydrophobicContact CG-CG1 4.49Å; R323-E852 WeakPolarHBondContact CD-OE1 3.45Å; R323-E852 IonicContact CZ-OE2 3.34Å; R323-E852 VanDerWaalsContact NH1-CD 3.33Å; R323-E852 IonicContact NH1-OE1 2.81Å; R323-E852 IonicContact NH1-OE2 3.55Å; R323-E852 PolarHBondContact NH1-OE2 2.72Å
324E77.4Confident79.1Confident127 Ų12775 Ų7559%0.59338%0.382SS*.Hα-helixtrans-60.8-47.7176.4-77.1174.8174.900110.6K320 A326 S327 E328K320-E324 WeakPolarHBondContact O-CB 3.3Å; K320-E324 WeakPolarHBondContact O-CG 3.31Å; K320-E324 PolarHBondContact O-N 3.46Å; E324-A326 PolarHBondContact O-N 2.86Å; E324-S327 PolarHBondContact O-N 2.89Å; E324-E328 WeakPolarHBondContact O-CB 3.37Å; E324-E328 WeakPolarHBondContact O-CG 3.26Å; E324-E328 PolarHBondContact O-N 3.3Å
325R82Confident79.6Confident158 Ų15878.3 Ų78.360%0.59639%0.388SS*.Hα-helixtrans-60.7-46.2175-74.3-176.9-68.6155.1-1.8112.2S321 A322 S327 E328 E329S321-R325 WeakPolarHBondContact O-CB 3.45Å; S321-R325 VanDerWaalsContact O-CG 3.29Å; S321-R325 WeakPolarHBondContact O-CG 3.36Å; S321-R325 PolarHBondContact O-N 3.16Å; S321-R325 PolarHBondContact O-NE 3.43Å; A322-R325 PolarHBondContact O-N 3.07Å; R325-S327 VanDerWaalsContact C-N 3.33Å; R325-S327 PolarHBondContact O-N 2.92Å; R325-E328 PolarHBondContact O-N 3.26Å; R325-E329 WeakPolarHBondContact O-CB 3.17Å; R325-E329 PolarHBondContact O-N 3.15Å
326A78.9Confident80.3Confident5 Ų578.8 Ų78.84%0.04139%0.385CS..Hα-helixtrans-65.1-37178.200000111.9A322 R323 E324 E329 L330 L843 E846 V847A322-A326 VanDerWaalsContact O-CB 3.3Å; A322-A326 WeakPolarHBondContact O-CB 3.39Å; A322-A326 PolarHBondContact O-N 3.49Å; R323-A326 PolarHBondContact O-N 3.14Å; E324-A326 PolarHBondContact O-N 2.86Å; A326-E329 PolarHBondContact O-N 3.44Å; A326-L330 WeakPolarHBondContact O-CB 3.45Å; A326-L330 PolarHBondContact O-N 2.9Å; A326-L843 HydrophobicContact CB-CD2 4.08Å; A326-E846 HydrophobicContact CB-CB 4.36Å; A326-V847 HydrophobicContact CB-CG2 3.86Å
327S79.7Confident80.7Confident62 Ų6278.5 Ų78.543%0.43438%0.384SS..Hα-helixtrans-69.8-43.3177.1-178.60000111.9R323 E324 R325 E329 L330 S331R323-S327 WeakPolarHBondContact O-CB 3.47Å; R323-S327 PolarHBondContact O-N 3.1Å; E324-S327 PolarHBondContact O-N 2.89Å; R325-S327 VanDerWaalsContact C-N 3.33Å; R325-S327 PolarHBondContact O-N 2.92Å; S327-E329 VanDerWaalsContact C-N 3.35Å; S327-L330 PolarHBondContact O-N 3.1Å; S327-S331 PolarHBondContact O-N 3.04Å
328E83.7Confident81.2Confident119 Ų11974.5 Ų74.556%0.55638%0.375SS*.Hα-helixtrans-61.1-45.8173-77.5-175.1-178.900110.7E324 R325 S331 R332E324-E328 WeakPolarHBondContact O-CB 3.37Å; E324-E328 WeakPolarHBondContact O-CG 3.26Å; E324-E328 PolarHBondContact O-N 3.3Å; R325-E328 PolarHBondContact O-N 3.26Å; E328-S331 PolarHBondContact O-N 2.89Å; E328-S331 PolarHBondContact O-OG 2.77Å; E328-R332 PolarHBondContact O-N 2.61Å; E328-R332 VanDerWaalsContact O-N 3.17Å
329E83.9Confident81.9Confident78 Ų7878 Ų7836%0.36438%0.38SS..Hα-helixtrans-65.5-39.8177.5-161.5170.7-174.300111.6R325 A326 S327 S331 R332 V333 K839 L843R325-E329 WeakPolarHBondContact O-CB 3.17Å; R325-E329 PolarHBondContact O-N 3.15Å; A326-E329 PolarHBondContact O-N 3.44Å; S327-E329 VanDerWaalsContact C-N 3.35Å; E329-S331 VanDerWaalsContact C-N 3.32Å; E329-S331 PolarHBondContact O-N 2.89Å; E329-R332 PolarHBondContact O-N 3.34Å; E329-V333 VanDerWaalsContact O-CG2 3.32Å; E329-V333 WeakPolarHBondContact O-CG2 3.5Å; E329-V333 PolarHBondContact O-N 2.9Å; E329-K839 WeakPolarHBondContact OE1-CE 3.3Å; E329-K839 IonicContact OE1-NZ 3.94Å; E329-K839 PolarHBondContact OE1-NZ 2.93Å; E329-L843 HydrophobicContact CB-CD1 4.01Å; E329-L843 HydrophobicContact CB-CD2 4.13Å; E329-L843 HydrophobicContact CG-CD1 3.84Å; E329-L843 HydrophobicContact CG-CD2 4.35Å
330L85.9Confident82.7Confident11 Ų1177.2 Ų77.26%0.05837%0.37CS..Hα-helixtrans-60.9-41.6175.4-179.664.7000111.1A326 S327 R332 V333 R334 Q840 L843 E844A326-L330 WeakPolarHBondContact O-CB 3.45Å; A326-L330 PolarHBondContact O-N 2.9Å; S327-L330 PolarHBondContact O-N 3.1Å; L330-R332 VanDerWaalsContact C-N 3.35Å; L330-R332 PolarHBondContact O-N 3.41Å; L330-V333 PolarHBondContact O-N 3.04Å; L330-R334 HydrophobicContact CD1-CG 4.43Å; L330-R334 WeakPolarHBondContact O-CB 3.47Å; L330-R334 WeakPolarHBondContact O-CG 3.27Å; L330-R334 PolarHBondContact O-N 3.34Å; L330-Q840 HydrophobicContact CD1-CB 4.42Å; L330-Q840 HydrophobicContact CD1-CG 3.71Å; L330-L843 HydrophobicContact CB-CB 4.12Å; L330-L843 HydrophobicContact CB-CD1 4.43Å; L330-L843 HydrophobicContact CD1-CB 3.97Å; L330-E844 HydrophobicContact CD1-CG 3.69Å; L330-E844 HydrophobicContact CD2-CG 3.88Å; L330-E844 HydrophobicContact CG-CG 4.46Å
331S85.7Confident83.4Confident69 Ų6977.4 Ų77.448%0.48337%0.372SS..Hα-helixtrans-61.5-42.9176.577.80000111.8S327 E328 E329 R334 E335S327-S331 PolarHBondContact O-N 3.04Å; E328-S331 PolarHBondContact O-N 2.89Å; E328-S331 PolarHBondContact O-OG 2.77Å; E329-S331 VanDerWaalsContact C-N 3.32Å; E329-S331 PolarHBondContact O-N 2.89Å; S331-R334 PolarHBondContact O-N 3.1Å; S331-E335 PolarHBondContact O-N 3.43Å
332R88.3Confident84Confident163 Ų16383.5 Ų83.562%0.61539%0.386SS*.Hα-helixtrans-65.9-42.8176.2-68179.4-173.6-1735111.9E328 E329 L330 E335 Q336E328-R332 PolarHBondContact O-N 2.61Å; E328-R332 VanDerWaalsContact O-N 3.17Å; E329-R332 PolarHBondContact O-N 3.34Å; L330-R332 VanDerWaalsContact C-N 3.35Å; L330-R332 PolarHBondContact O-N 3.41Å; R332-E335 PolarHBondContact O-N 2.94Å; R332-Q336 WeakPolarHBondContact O-CG 3.45Å; R332-Q336 PolarHBondContact O-N 3.5Å
333V86.4Confident84.8Confident4 Ų485.7 Ų85.72%0.02439%0.385CS..Hα-helixtrans-64.7-42.7177.8171.30000110.4E329 L330 E335 Q336 I337 L836 K839 Q840 L843E329-V333 VanDerWaalsContact O-CG2 3.32Å; E329-V333 WeakPolarHBondContact O-CG2 3.5Å; E329-V333 PolarHBondContact O-N 2.9Å; L330-V333 PolarHBondContact O-N 3.04Å; V333-E335 VanDerWaalsContact C-N 3.32Å; V333-E335 PolarHBondContact O-N 2.8Å; V333-Q336 WeakPolarHBondContact O-CB 3.26Å; V333-Q336 PolarHBondContact O-N 2.81Å; V333-I337 HydrophobicContact CG1-CD1 3.9Å; V333-I337 HydrophobicContact CG1-CG1 4.35Å; V333-I337 VanDerWaalsContact O-CG1 3.28Å; V333-I337 WeakPolarHBondContact O-CG1 3.26Å; V333-I337 PolarHBondContact O-N 3.4Å; V333-L836 HydrophobicContact CG1-CD2 4.27Å; V333-L836 WeakPolarHBondContact CG1-O 3.49Å; V333-K839 HydrophobicContact CG2-CD 4.28Å; V333-K839 HydrophobicContact CG2-CG 4.13Å; V333-Q840 HydrophobicContact CG1-CB 4.04Å; V333-L843 HydrophobicContact CB-CD1 4.44Å; V333-L843 HydrophobicContact CG2-CD1 3.88Å
334R87.1Confident85.2Confident117 Ų11781.4 Ų81.444%0.44237%0.369SS..Hα-helixtrans-61-39.3174.3-76.6176.9176.3179.30.1112.6L330 S331 I337 N338 E844L330-R334 HydrophobicContact CD1-CG 4.43Å; L330-R334 WeakPolarHBondContact O-CB 3.47Å; L330-R334 WeakPolarHBondContact O-CG 3.27Å; L330-R334 PolarHBondContact O-N 3.34Å; S331-R334 PolarHBondContact O-N 3.1Å; R334-I337 PolarHBondContact O-N 2.86Å; R334-N338 PolarHBondContact O-N 3.38Å; R334-N338 PolarHBondContact O-ND2 2.82Å; R334-E844 IonicContact CZ-OE1 2.83Å; R334-E844 IonicContact NE-OE1 3.68Å; R334-E844 IonicContact NH2-OE1 2.79Å; R334-E844 PolarHBondContact NH2-OE1 2.97Å
335E87.4Confident85.5Confident121 Ų12178.5 Ų78.557%0.56537%0.367SS*.Hα-helixtrans-64.3-43.3174.2-169.8175.8-173.600111.7S331 R332 V333 N338 Q339S331-E335 PolarHBondContact O-N 3.43Å; R332-E335 PolarHBondContact O-N 2.94Å; V333-E335 VanDerWaalsContact C-N 3.32Å; V333-E335 PolarHBondContact O-N 2.8Å; E335-N338 PolarHBondContact O-N 2.89Å; E335-Q339 WeakPolarHBondContact O-CG 3.22Å; E335-Q339 PolarHBondContact O-N 2.86Å
336Q87.3Confident85.8Confident89 Ų8975.9 Ų75.942%0.41636%0.362SS..Hα-helixtrans-63.1-41174.6-71.9176.1-15.800112.4R332 V333 Q339 V340 L836R332-Q336 WeakPolarHBondContact O-CG 3.45Å; R332-Q336 PolarHBondContact O-N 3.5Å; V333-Q336 WeakPolarHBondContact O-CB 3.26Å; V333-Q336 PolarHBondContact O-N 2.81Å; Q336-Q339 PolarHBondContact O-N 3.22Å; Q336-V340 WeakPolarHBondContact O-CG2 3.5Å; Q336-V340 PolarHBondContact O-N 2.93Å; Q336-L836 HydrophobicContact CB-CD1 4.03Å; Q336-L836 HydrophobicContact CB-CD2 3.81Å; Q336-L836 VanDerWaalsContact OE1-CD2 3.26Å
337I85.1Confident86.2Confident8 Ų875.7 Ų75.74%0.04136%0.36CS..Hα-helixtrans-58.4-51.8174.6-73.4172000109.6V333 R334 Q339 V340 E341 L832 L836 L837 Q840V333-I337 HydrophobicContact CG1-CD1 3.9Å; V333-I337 HydrophobicContact CG1-CG1 4.35Å; V333-I337 VanDerWaalsContact O-CG1 3.28Å; V333-I337 WeakPolarHBondContact O-CG1 3.26Å; V333-I337 PolarHBondContact O-N 3.4Å; R334-I337 PolarHBondContact O-N 2.86Å; I337-Q339 VanDerWaalsContact C-N 3.25Å; I337-Q339 PolarHBondContact O-N 3.25Å; I337-V340 PolarHBondContact O-N 2.8Å; I337-V340 VanDerWaalsContact O-N 3.09Å; I337-E341 HydrophobicContact CG2-CG 3.98Å; I337-E341 WeakPolarHBondContact O-CB 3.33Å; I337-E341 WeakPolarHBondContact O-CG 3.5Å; I337-E341 PolarHBondContact O-N 2.93Å; I337-L832 HydrophobicContact CB-CD1 4.37Å; I337-L832 HydrophobicContact CG1-CD1 4.13Å; I337-L832 HydrophobicContact CG2-CD1 3.9Å; I337-L836 HydrophobicContact CD1-CB 4.14Å; I337-L836 HydrophobicContact CG1-CB 3.56Å; I337-L836 HydrophobicContact CG1-CD1 4.15Å; I337-L836 HydrophobicContact CG1-CG 4.37Å; I337-L837 HydrophobicContact CD1-CD2 4.22Å; I337-Q840 HydrophobicContact CD1-CB 3.85Å; I337-Q840 HydrophobicContact CD1-CG 4.3Å
338N87.6Confident86.4Confident86 Ų8678.2 Ų78.246%0.4636%0.36SS..Hα-helixtrans-56.1-39.4177.7-82.8-38.4000112.5R334 E335 R342R334-N338 PolarHBondContact O-N 3.38Å; R334-N338 PolarHBondContact O-ND2 2.82Å; E335-N338 PolarHBondContact O-N 2.89Å; N338-R342 WeakPolarHBondContact O-CB 3.36Å; N338-R342 VanDerWaalsContact O-CG 3.23Å; N338-R342 WeakPolarHBondContact O-CG 3.45Å; N338-R342 PolarHBondContact O-N 3.39Å; N338-R342 VanDerWaalsContact O-N 3.09Å
339Q88.5Confident86.5Confident118 Ų11875.6 Ų75.655%0.55135%0.353SS*.Hα-helixtrans-66.8-44.2176.4-70.2175.99.600112.2E335 Q336 I337 R343E335-Q339 WeakPolarHBondContact O-CG 3.22Å; E335-Q339 PolarHBondContact O-N 2.86Å; Q336-Q339 PolarHBondContact O-N 3.22Å; I337-Q339 VanDerWaalsContact C-N 3.25Å; I337-Q339 PolarHBondContact O-N 3.25Å; Q339-R343 PolarHBondContact O-N 3.11Å
340V87.3Confident86.8Confident8 Ų876.3 Ų76.35%0.04836%0.357CS..Hα-helixtrans-70.1-41.5179.81750000111.4Q336 I337 R343 L344 K828 Q831 L832 L836Q336-V340 WeakPolarHBondContact O-CG2 3.5Å; Q336-V340 PolarHBondContact O-N 2.93Å; I337-V340 PolarHBondContact O-N 2.8Å; I337-V340 VanDerWaalsContact O-N 3.09Å; V340-R343 PolarHBondContact O-N 2.98Å; V340-L344 HydrophobicContact CG1-CD1 4.03Å; V340-L344 HydrophobicContact CG1-CG 4.41Å; V340-L344 WeakPolarHBondContact O-CB 3.41Å; V340-L344 WeakPolarHBondContact O-CG 3.4Å; V340-L344 PolarHBondContact O-N 3.26Å; V340-K828 HydrophobicContact CG1-CB 4.14Å; V340-K828 HydrophobicContact CG1-CD 4.2Å; V340-K828 VanDerWaalsContact CG1-O 3.32Å; V340-K828 WeakPolarHBondContact CG1-O 3.44Å; V340-Q831 HydrophobicContact CG2-CG 4.25Å; V340-L832 HydrophobicContact CG1-CB 3.86Å; V340-L836 HydrophobicContact CB-CD1 4.23Å; V340-L836 HydrophobicContact CG2-CD1 3.73Å
341E85.4Confident86.8Confident86 Ų8677.1 Ų77.140%0.40236%0.359SS..Hα-helixtrans-61.7-43.3175.6-76.1-174.1157.700112.1I337 R343 L344 A345 L832I337-E341 HydrophobicContact CG2-CG 3.98Å; I337-E341 WeakPolarHBondContact O-CB 3.33Å; I337-E341 WeakPolarHBondContact O-CG 3.5Å; I337-E341 PolarHBondContact O-N 2.93Å; E341-R343 VanDerWaalsContact C-N 3.32Å; E341-R343 PolarHBondContact O-N 3.3Å; E341-L344 PolarHBondContact O-N 3.14Å; E341-A345 WeakPolarHBondContact O-CB 3.3Å; E341-A345 PolarHBondContact O-N 3.41Å; E341-L832 HydrophobicContact CG-CD1 4.11Å; E341-L832 HydrophobicContact CG-CD2 3.97Å
342R87.7Confident86.7Confident186 Ų18679.9 Ų79.970%0.70236%0.363SS*.Hα-helixtrans-58.1-45.3173.2-77.7175.7-175.8-173.23.1111.3N338 L344 A345 E346N338-R342 WeakPolarHBondContact O-CB 3.36Å; N338-R342 VanDerWaalsContact O-CG 3.23Å; N338-R342 WeakPolarHBondContact O-CG 3.45Å; N338-R342 PolarHBondContact O-N 3.39Å; N338-R342 VanDerWaalsContact O-N 3.09Å; R342-L344 PolarHBondContact O-N 3.08Å; R342-A345 WeakPolarHBondContact O-CB 3.34Å; R342-A345 PolarHBondContact O-N 3.27Å; R342-E346 PolarHBondContact O-N 3.16Å
343R88.7Confident86.6Confident90 Ų9079.5 Ų79.534%0.3437%0.365SS..Hα-helixtrans-65.9-37.9177.7-174.356.6-179.71740.8112.2Q339 V340 E341 E346 L347 E824 K828Q339-R343 PolarHBondContact O-N 3.11Å; V340-R343 PolarHBondContact O-N 2.98Å; E341-R343 VanDerWaalsContact C-N 3.32Å; E341-R343 PolarHBondContact O-N 3.3Å; R343-E346 IonicContact NH1-OE2 3.03Å; R343-E346 PolarHBondContact NH1-OE2 3.31Å; R343-E346 VanDerWaalsContact NH1-OE2 3.09Å; R343-E346 PolarHBondContact O-N 3.37Å; R343-L347 HydrophobicContact CG-CD1 3.82Å; R343-L347 HydrophobicContact CG-CG 4.46Å; R343-L347 WeakPolarHBondContact O-CB 3.46Å; R343-L347 WeakPolarHBondContact O-CG 3.41Å; R343-L347 PolarHBondContact O-N 3.13Å; R343-E824 IonicContact CZ-OE2 2.87Å; R343-E824 IonicContact NE-OE2 2.65Å; R343-E824 IonicContact NH2-OE2 3.08Å; R343-E824 PolarHBondContact NH2-OE2 3.5Å; R343-K828 HydrophobicContact CG-CD 4.39Å; R343-K828 HydrophobicContact CG-CG 4.27Å
344L85Confident86.6Confident4 Ų480.1 Ų80.12%0.02137%0.371CS..Hα-helixtrans-67.8-36174-77.2172.5000112.5V340 E341 R342 E346 L347 R348 K825 K828 E829 L832V340-L344 HydrophobicContact CG1-CD1 4.03Å; V340-L344 HydrophobicContact CG1-CG 4.41Å; V340-L344 WeakPolarHBondContact O-CB 3.41Å; V340-L344 WeakPolarHBondContact O-CG 3.4Å; V340-L344 PolarHBondContact O-N 3.26Å; E341-L344 PolarHBondContact O-N 3.14Å; R342-L344 PolarHBondContact O-N 3.08Å; L344-E346 PolarHBondContact O-N 3.44Å; L344-L347 PolarHBondContact O-N 3.42Å; L344-R348 VanDerWaalsContact O-CB 3.26Å; L344-R348 WeakPolarHBondContact O-CB 3.43Å; L344-R348 VanDerWaalsContact O-CG 3.27Å; L344-R348 WeakPolarHBondContact O-CG 3.2Å; L344-R348 PolarHBondContact O-N 3.16Å; L344-K825 HydrophobicContact CD2-CG 4.46Å; L344-K828 HydrophobicContact CD1-CB 4.4Å; L344-K828 HydrophobicContact CD2-CB 3.57Å; L344-K828 HydrophobicContact CG-CB 3.82Å; L344-E829 HydrophobicContact CD1-CG 4.11Å; L344-E829 HydrophobicContact CD2-CG 3.58Å; L344-L832 HydrophobicContact CD1-CB 4.12Å; L344-L832 HydrophobicContact CD1-CD2 3.58Å; L344-L832 HydrophobicContact CD1-CG 4.49Å
345A84.2Confident86.5Confident67 Ų6776.6 Ų76.655%0.55436%0.359SS*.Hα-helixtrans-63.9-30.8174.900000112E341 R342 P349E341-A345 WeakPolarHBondContact O-CB 3.3Å; E341-A345 PolarHBondContact O-N 3.41Å; R342-A345 WeakPolarHBondContact O-CB 3.34Å; R342-A345 PolarHBondContact O-N 3.27Å; A345-P349 WeakPolarHBondContact O-CD 3.38Å; A345-P349 VanDerWaalsContact O-CG 3.28Å; A345-P349 WeakPolarHBondContact O-CG 3.19Å
346E87.7Confident86.2Confident103 Ų10375.3 Ų75.348%0.48135%0.353SS..Hα-helixtrans-76.8-45170.8-66.9173.3179.500112.6R342 R343 L344 P349 Q350R342-E346 PolarHBondContact O-N 3.16Å; R343-E346 IonicContact NH1-OE2 3.03Å; R343-E346 PolarHBondContact NH1-OE2 3.31Å; R343-E346 VanDerWaalsContact NH1-OE2 3.09Å; R343-E346 PolarHBondContact O-N 3.37Å; L344-E346 PolarHBondContact O-N 3.44Å; E346-P349 WeakPolarHBondContact O-CD 3.38Å; E346-Q350 WeakPolarHBondContact O-CG 2.85Å
347L86.8Confident86.2Confident0 Ų076 Ų760%036%0.355CS..Hα-helixtrans-72.6-40.8-174.6-78.2167.6000113.3R343 L344 Q350 Y351 L821 E824 K828R343-L347 HydrophobicContact CG-CD1 3.82Å; R343-L347 HydrophobicContact CG-CG 4.46Å; R343-L347 WeakPolarHBondContact O-CB 3.46Å; R343-L347 WeakPolarHBondContact O-CG 3.41Å; R343-L347 PolarHBondContact O-N 3.13Å; L344-L347 PolarHBondContact O-N 3.42Å; L347-Q350 PolarHBondContact O-N 3.13Å; L347-Q350 VanDerWaalsContact O-N 3.14Å; L347-Y351 WeakPolarHBondContact O-CB 3.28Å; L347-Y351 PolarHBondContact O-N 3.28Å; L347-L821 HydrophobicContact CD2-CD2 3.87Å; L347-E824 HydrophobicContact CD1-CB 4.04Å; L347-E824 HydrophobicContact CD2-CB 4.04Å; L347-K828 HydrophobicContact CD1-CG 4.19Å
348R85.6Confident86.2Confident115 Ų11577.1 Ų77.143%0.43436%0.359SS..Hα-helixtrans-58.5-47.6-175.9-79175.3170.1-179.5-0.1112.7L344 K352 E829L344-R348 VanDerWaalsContact O-CB 3.26Å; L344-R348 WeakPolarHBondContact O-CB 3.43Å; L344-R348 VanDerWaalsContact O-CG 3.27Å; L344-R348 WeakPolarHBondContact O-CG 3.2Å; L344-R348 PolarHBondContact O-N 3.16Å; R348-K352 WeakPolarHBondContact O-CB 3.49Å; R348-K352 PolarHBondContact O-N 3.02Å; R348-E829 IonicContact CZ-OE1 3.09Å; R348-E829 IonicContact NE-OE1 2.91Å; R348-E829 PolarHBondContact NE-OE1 3.41Å; R348-E829 IonicContact NH2-OE1 3.94Å; R348-E829 PolarHBondContact NH2-OE1 3.49Å
349P86Confident85.9Confident65 Ų6575.6 Ų75.642%0.42235%0.351SS..Hα-helixtrans-63.1-38.9174.1-22.533.4000113.1A345 E346 K352 K353A345-P349 WeakPolarHBondContact O-CD 3.38Å; A345-P349 VanDerWaalsContact O-CG 3.28Å; A345-P349 WeakPolarHBondContact O-CG 3.19Å; E346-P349 WeakPolarHBondContact O-CD 3.38Å; P349-K352 PolarHBondContact O-N 2.88Å; P349-K353 WeakPolarHBondContact O-CB 3.39Å; P349-K353 WeakPolarHBondContact O-CG 3.47Å; P349-K353 PolarHBondContact O-N 3.2Å
350Q88.3Confident85.7Confident93 Ų9375.9 Ų75.944%0.43535%0.353SS..Hα-helixtrans-65.8-47178.7-67.9177.416.700111.4E346 L347 K353 A354 L821E346-Q350 WeakPolarHBondContact O-CG 2.85Å; L347-Q350 PolarHBondContact O-N 3.13Å; L347-Q350 VanDerWaalsContact O-N 3.14Å; Q350-K353 PolarHBondContact O-N 3.38Å; Q350-A354 WeakPolarHBondContact O-CB 3.45Å; Q350-A354 PolarHBondContact O-N 3.01Å; Q350-L821 HydrophobicContact CB-CD1 4.08Å; Q350-L821 HydrophobicContact CB-CD2 4.07Å
351Y87.1Confident85.7Confident27 Ų2776 Ų7611%0.10635%0.353CS..Hα-helixtrans-60.4-45.9174.2171.2-100.2000111.4L347 K353 A354 K355 R818 E822 K825L347-Y351 WeakPolarHBondContact O-CB 3.28Å; L347-Y351 PolarHBondContact O-N 3.28Å; Y351-K353 VanDerWaalsContact C-N 3.34Å; Y351-K353 PolarHBondContact O-N 3Å; Y351-A354 PolarHBondContact O-N 2.88Å; Y351-K355 HydrophobicContact CE1-CD 3.94Å; Y351-K355 WeakPolarHBondContact O-CB 3.42Å; Y351-K355 PolarHBondContact O-N 2.77Å; Y351-R818 HydrophobicContact CD2-CG 4.3Å; Y351-R818 HydrophobicContact CE2-CG 4.04Å; Y351-E822 HydrophobicContact CD2-CB 4.1Å; Y351-E822 HydrophobicContact CE2-CB 3.72Å; Y351-E822 HydrophobicContact CE2-CG 3.98Å; Y351-E822 PolarHBondContact OH-OE1 3.26Å; Y351-K825 HydrophobicContact CD1-CD 3.63Å; Y351-K825 HydrophobicContact CD2-CD 4.24Å; Y351-K825 HydrophobicContact CE1-CD 4.08Å; Y351-K825 HydrophobicContact CG-CD 3.7Å
352K83.1Confident85.6Confident128 Ų12874 Ų7456%0.55735%0.351SS*.Hα-helixtrans-59.4-44.9178.5-172.1177.9-178.4178.80111.4R348 P349 Q356R348-K352 WeakPolarHBondContact O-CB 3.49Å; R348-K352 PolarHBondContact O-N 3.02Å; P349-K352 PolarHBondContact O-N 2.88Å; K352-Q356 WeakPolarHBondContact O-CB 3.37Å; K352-Q356 VanDerWaalsContact O-CG 3.24Å; K352-Q356 WeakPolarHBondContact O-CG 3.4Å; K352-Q356 PolarHBondContact O-N 3.26Å
353K86.4Confident85.4Confident154 Ų15467.8 Ų67.867%0.6733%0.332SS*.Hα-helixtrans-64.3-46.1176.1-74178.9179.8-176.30112.1P349 Q350 Y351 K355 Q356 F357P349-K353 WeakPolarHBondContact O-CB 3.39Å; P349-K353 WeakPolarHBondContact O-CG 3.47Å; P349-K353 PolarHBondContact O-N 3.2Å; Q350-K353 PolarHBondContact O-N 3.38Å; Y351-K353 VanDerWaalsContact C-N 3.34Å; Y351-K353 PolarHBondContact O-N 3Å; K353-K355 VanDerWaalsContact C-N 3.35Å; K353-Q356 PolarHBondContact O-N 3.17Å; K353-F357 WeakPolarHBondContact O-CB 3.41Å; K353-F357 PolarHBondContact O-N 3.11Å
354A87.2Confident85.2Confident17 Ų1764.9 Ų64.914%0.1433%0.327CS..Hα-helixtrans-64.3-39.717900000112.2Q350 Y351 F357 E358 R818 L821Q350-A354 WeakPolarHBondContact O-CB 3.45Å; Q350-A354 PolarHBondContact O-N 3.01Å; Y351-A354 PolarHBondContact O-N 2.88Å; A354-F357 PolarHBondContact O-N 3.07Å; A354-E358 WeakPolarHBondContact O-CB 3.29Å; A354-E358 PolarHBondContact O-N 3.08Å; A354-R818 HydrophobicContact CB-CB 4.39Å; A354-L821 HydrophobicContact CB-CD1 3.75Å
355K83.5Confident85.3Confident44 Ų4466 Ų6619%0.19133%0.333CS..Hα-helixtrans-68.1-45.9176.3-176.9174.3-177.1171.40111.9Y351 K353 F357 E358 D359 Y758 R818Y351-K355 HydrophobicContact CE1-CD 3.94Å; Y351-K355 WeakPolarHBondContact O-CB 3.42Å; Y351-K355 PolarHBondContact O-N 2.77Å; K353-K355 VanDerWaalsContact C-N 3.35Å; K355-F357 VanDerWaalsContact C-N 3.28Å; K355-F357 PolarHBondContact O-N 2.76Å; K355-E358 PolarHBondContact O-N 2.88Å; K355-D359 WeakPolarHBondContact O-CB 3.39Å; K355-D359 VanDerWaalsContact O-CG 3.24Å; K355-D359 PolarHBondContact O-N 2.9Å; K355-Y758 VanDerWaalsContact NZ-CD2 3.26Å; K355-R818 HydrophobicContact CB-CG 4.27Å
356Q82.7Confident85.3Confident94 Ų9465.1 Ų65.144%0.43932%0.323SS..Hα-helixtrans-57.9-44.1174.4-77.2176.3-31.300111.2K352 K353 D359 E360K352-Q356 WeakPolarHBondContact O-CB 3.37Å; K352-Q356 VanDerWaalsContact O-CG 3.24Å; K352-Q356 WeakPolarHBondContact O-CG 3.4Å; K352-Q356 PolarHBondContact O-N 3.26Å; K353-Q356 PolarHBondContact O-N 3.17Å; Q356-D359 PolarHBondContact O-N 3.21Å; Q356-E360 WeakPolarHBondContact O-CB 3.45Å; Q356-E360 VanDerWaalsContact O-CG 3.23Å; Q356-E360 WeakPolarHBondContact O-CG 3.25Å; Q356-E360 PolarHBondContact O-N 3.39Å
357F86.1Confident85.1Confident103 Ų10364 Ų6445%0.45232%0.32SS..Hα-helixtrans-64.8-40.4177.1-173.4-113.7000112.7K353 A354 K355 L361 A814K353-F357 WeakPolarHBondContact O-CB 3.41Å; K353-F357 PolarHBondContact O-N 3.11Å; A354-F357 PolarHBondContact O-N 3.07Å; K355-F357 VanDerWaalsContact C-N 3.28Å; K355-F357 PolarHBondContact O-N 2.76Å; F357-L361 HydrophobicContact CD1-CD1 3.83Å; F357-L361 HydrophobicContact CE1-CD1 3.46Å; F357-L361 VanDerWaalsContact CE1-CD1 3.46Å; F357-L361 HydrophobicContact CE1-CG 4.44Å; F357-L361 HydrophobicContact CE2-CD1 4.34Å; F357-L361 HydrophobicContact CG-CD1 4.42Å; F357-L361 HydrophobicContact CZ-CD1 3.74Å; F357-L361 HydrophobicContact CZ-CG 4.34Å; F357-L361 WeakPolarHBondContact O-CB 3.15Å; F357-L361 VanDerWaalsContact O-CG 3.28Å; F357-L361 WeakPolarHBondContact O-CG 3.42Å; F357-L361 PolarHBondContact O-N 3.09Å; F357-A814 HydrophobicContact CD1-CB 3.85Å; F357-A814 HydrophobicContact CE1-CB 4.13Å
358E85.2Confident85.1Confident31 Ų3164.3 Ų64.315%0.14532%0.322CS..Hα-helixtrans-64.6-46.7172.8-176.4-176.6151.800111.9A354 K355 E360 L361 A362 A814 Y815 R818A354-E358 WeakPolarHBondContact O-CB 3.29Å; A354-E358 PolarHBondContact O-N 3.08Å; K355-E358 PolarHBondContact O-N 2.88Å; E358-E360 VanDerWaalsContact C-N 3.3Å; E358-E360 PolarHBondContact O-N 2.72Å; E358-L361 PolarHBondContact O-N 3.39Å; E358-A362 VanDerWaalsContact O-CB 3.24Å; E358-A362 WeakPolarHBondContact O-CB 3.32Å; E358-A362 PolarHBondContact O-N 2.84Å; E358-A814 HydrophobicContact CB-CB 4.2Å; E358-Y815 WeakPolarHBondContact OE1-CD2 3.15Å; E358-Y815 WeakPolarHBondContact OE2-CA 3.44Å; E358-R818 IonicContact OE1-NE 3.95Å; E358-R818 WeakPolarHBondContact OE2-CB 3.25Å; E358-R818 WeakPolarHBondContact OE2-CD 3.28Å; E358-R818 WeakPolarHBondContact OE2-CG 3.27Å; E358-R818 IonicContact OE2-NE 2.7Å; E358-R818 PolarHBondContact OE2-NE 3.32Å
359D80.7Confident85.1Confident54 Ų5461.8 Ų61.829%0.28932%0.315SS..Hα-helixtrans-60.7-41.1178.5-70.9-22000110.4K355 Q356 A362 N363K355-D359 WeakPolarHBondContact O-CB 3.39Å; K355-D359 VanDerWaalsContact O-CG 3.24Å; K355-D359 PolarHBondContact O-N 2.9Å; Q356-D359 PolarHBondContact O-N 3.21Å; D359-A362 PolarHBondContact O-N 3.37Å; D359-N363 WeakPolarHBondContact O-CB 3.25Å; D359-N363 PolarHBondContact O-N 3.32Å; D359-N363 PolarHBondContact O-ND2 3.5Å; D359-N363 PolarHBondContact O-OD1 3.16Å
360E85.3Confident85.1Confident125 Ų12560.9 Ų60.958%0.58431%0.305SS*.Hα-helixtrans-61.8-46.4174.3-76.8169.5-166.700112Q356 E358 A364Q356-E360 WeakPolarHBondContact O-CB 3.45Å; Q356-E360 VanDerWaalsContact O-CG 3.23Å; Q356-E360 WeakPolarHBondContact O-CG 3.25Å; Q356-E360 PolarHBondContact O-N 3.39Å; E358-E360 VanDerWaalsContact C-N 3.3Å; E358-E360 PolarHBondContact O-N 2.72Å; E360-A364 VanDerWaalsContact O-CB 3.24Å; E360-A364 WeakPolarHBondContact O-CB 3.47Å; E360-A364 PolarHBondContact O-N 3Å
361L87.4Confident84.9Confident10 Ų1059.3 Ų59.35%0.05230%0.296CS..Hα-helixtrans-66.6-39.7176.8-73.6170.2000112.2F357 E358 A364 L365 L807 E810 A811 A814F357-L361 HydrophobicContact CD1-CD1 3.83Å; F357-L361 HydrophobicContact CE1-CD1 3.46Å; F357-L361 VanDerWaalsContact CE1-CD1 3.46Å; F357-L361 HydrophobicContact CE1-CG 4.44Å; F357-L361 HydrophobicContact CE2-CD1 4.34Å; F357-L361 HydrophobicContact CG-CD1 4.42Å; F357-L361 HydrophobicContact CZ-CD1 3.74Å; F357-L361 HydrophobicContact CZ-CG 4.34Å; F357-L361 WeakPolarHBondContact O-CB 3.15Å; F357-L361 VanDerWaalsContact O-CG 3.28Å; F357-L361 WeakPolarHBondContact O-CG 3.42Å; F357-L361 PolarHBondContact O-N 3.09Å; E358-L361 PolarHBondContact O-N 3.39Å; L361-A364 PolarHBondContact O-N 2.87Å; L361-L365 WeakPolarHBondContact O-CB 3.23Å; L361-L365 PolarHBondContact O-N 3.19Å; L361-L807 HydrophobicContact CD2-CD2 3.64Å; L361-E810 HydrophobicContact CD1-CB 3.87Å; L361-E810 HydrophobicContact CD2-CB 3.88Å; L361-E810 WeakPolarHBondContact CD2-OE2 3.28Å; L361-A811 HydrophobicContact CB-CB 4.31Å; L361-A814 HydrophobicContact CD1-CB 3.71Å
362A83.4Confident84.8Confident43 Ų4361.1 Ų61.136%0.35530%0.302SS..Hα-helixtrans-67.5-43.5178.200000111.2E358 D359 L365 S366E358-A362 VanDerWaalsContact O-CB 3.24Å; E358-A362 WeakPolarHBondContact O-CB 3.32Å; E358-A362 PolarHBondContact O-N 2.84Å; D359-A362 PolarHBondContact O-N 3.37Å; A362-L365 PolarHBondContact O-N 3Å; A362-S366 VanDerWaalsContact O-CB 3.25Å; A362-S366 WeakPolarHBondContact O-CB 3.41Å; A362-S366 PolarHBondContact O-N 2.81Å
363N82.7Confident84.9Confident56 Ų5661.2 Ų61.230%0.29930%0.303SS..Hα-helixtrans-62.5-46.9173.4-68.9-16.5000110.5D359 L365 S366 D367 H765D359-N363 WeakPolarHBondContact O-CB 3.25Å; D359-N363 PolarHBondContact O-N 3.32Å; D359-N363 PolarHBondContact O-ND2 3.5Å; D359-N363 PolarHBondContact O-OD1 3.16Å; N363-L365 VanDerWaalsContact C-N 3.33Å; N363-L365 PolarHBondContact O-N 2.82Å; N363-S366 WeakPolarHBondContact O-CB 3.5Å; N363-S366 PolarHBondContact O-N 2.98Å; N363-D367 WeakPolarHBondContact O-CB 3.42Å; N363-D367 PolarHBondContact O-N 2.89Å; N363-H765 VanDerWaalsContact CG-CE1 3.4Å; N363-H765 PolarHBondContact OD1-CD2 2.83Å; N363-H765 VanDerWaalsContact OD1-CD2 3.3Å; N363-H765 PolarHBondContact OD1-CE1 2.92Å; N363-H765 VanDerWaalsContact OD1-CE1 3.32Å; N363-H765 PolarHBondContact OD1-ND1 3.25Å; N363-H765 PolarHBondContact OD1-NE2 2.81Å
364A85.4Confident84.7Confident30 Ų3054.8 Ų54.825%0.24828%0.275CS..Hα-helixtrans-63.8-36.517800000112.9E360 L361 A368 L807E360-A364 VanDerWaalsContact O-CB 3.24Å; E360-A364 WeakPolarHBondContact O-CB 3.47Å; E360-A364 PolarHBondContact O-N 3Å; L361-A364 PolarHBondContact O-N 2.87Å; A364-A368 VanDerWaalsContact O-CB 3.31Å; A364-A368 WeakPolarHBondContact O-CB 3.48Å; A364-A368 PolarHBondContact O-N 3.43Å; A364-L807 HydrophobicContact CB-CD1 3.97Å; A364-L807 HydrophobicContact CB-CD2 4.16Å
365L87.3Confident84.5Confident28 Ų2854.1 Ų54.115%0.14727%0.269CS..Hα-helixtrans-68.1-46.3174.6-178.267.7000110.4L361 A362 N363 D367 A368 E369 I804 L807L361-L365 WeakPolarHBondContact O-CB 3.23Å; L361-L365 PolarHBondContact O-N 3.19Å; A362-L365 PolarHBondContact O-N 3Å; N363-L365 VanDerWaalsContact C-N 3.33Å; N363-L365 PolarHBondContact O-N 2.82Å; L365-D367 PolarHBondContact O-N 2.95Å; L365-A368 PolarHBondContact O-N 3.08Å; L365-E369 HydrophobicContact CD1-CG 4.39Å; L365-E369 HydrophobicContact CG-CG 4.47Å; L365-E369 WeakPolarHBondContact O-CB 3.32Å; L365-E369 WeakPolarHBondContact O-CG 3.47Å; L365-E369 PolarHBondContact O-N 3.5Å; L365-I804 HydrophobicContact CD1-CB 4.44Å; L365-I804 HydrophobicContact CD1-CG1 4.5Å; L365-I804 HydrophobicContact CD1-CG2 4.02Å; L365-L807 HydrophobicContact CB-CB 4.3Å; L365-L807 HydrophobicContact CD1-CB 3.91Å
366S83.9Confident84.5Confident47 Ų4756.4 Ų56.433%0.32928%0.279SS..Hα-helixtrans-58.1-47.2175.2-179.70000111.1A362 N363 A368 E369 H370 Q769A362-S366 VanDerWaalsContact O-CB 3.25Å; A362-S366 WeakPolarHBondContact O-CB 3.41Å; A362-S366 PolarHBondContact O-N 2.81Å; N363-S366 WeakPolarHBondContact O-CB 3.5Å; N363-S366 PolarHBondContact O-N 2.98Å; S366-A368 PolarHBondContact O-N 3.04Å; S366-E369 PolarHBondContact O-N 2.93Å; S366-H370 WeakPolarHBondContact O-CB 3.36Å; S366-H370 PolarHBondContact O-N 3.37Å; S366-Q769 PolarHBondContact OG-NE2 2.85Å
367D84.1Confident84.4Confident81 Ų8154.5 Ų54.543%0.43328%0.279SS..Hα-helixtrans-58.6-48.1176-70.3-22.8000111.4N363 L365 R371 Q769N363-D367 WeakPolarHBondContact O-CB 3.42Å; N363-D367 PolarHBondContact O-N 2.89Å; L365-D367 PolarHBondContact O-N 2.95Å; D367-R371 VanDerWaalsContact O-CB 3.25Å; D367-R371 WeakPolarHBondContact O-CB 3.17Å; D367-R371 PolarHBondContact O-N 3.05Å; D367-Q769 PolarHBondContact OD1-NE2 3.41Å
368A85.7Confident84.1Confident5 Ų552.8 Ų52.84%0.04127%0.272CS..Hα-helixtrans-66.7-42.4-179.200000112.2A364 L365 S366 R372 L800 I804 L807A364-A368 VanDerWaalsContact O-CB 3.31Å; A364-A368 WeakPolarHBondContact O-CB 3.48Å; A364-A368 PolarHBondContact O-N 3.43Å; L365-A368 PolarHBondContact O-N 3.08Å; S366-A368 PolarHBondContact O-N 3.04Å; A368-R372 WeakPolarHBondContact O-CB 3.49Å; A368-R372 PolarHBondContact O-N 3.01Å; A368-L800 HydrophobicContact CB-CD2 4.01Å; A368-I804 HydrophobicContact CB-CD1 4.38Å; A368-I804 HydrophobicContact CB-CG1 3.75Å; A368-L807 HydrophobicContact CB-CD1 4.42Å
369E86.8Confident83.8Confident62 Ų6254.9 Ų54.929%0.2928%0.281SS..Hα-helixtrans-66.7-43.6176.1-76.7-169169.800112.4L365 S366 R372 K373 I804L365-E369 HydrophobicContact CD1-CG 4.39Å; L365-E369 HydrophobicContact CG-CG 4.47Å; L365-E369 WeakPolarHBondContact O-CB 3.32Å; L365-E369 WeakPolarHBondContact O-CG 3.47Å; L365-E369 PolarHBondContact O-N 3.5Å; S366-E369 PolarHBondContact O-N 2.93Å; E369-R372 PolarHBondContact O-N 2.81Å; E369-K373 WeakPolarHBondContact O-CB 3.25Å; E369-K373 WeakPolarHBondContact O-CG 3.4Å; E369-K373 PolarHBondContact O-N 3.35Å; E369-I804 HydrophobicContact CG-CD1 4.1Å; E369-I804 HydrophobicContact CG-CG1 4.22Å; E369-I804 HydrophobicContact CG-CG2 4.4Å
370H84Confident83.8Confident46 Ų4653.3 Ų53.321%0.21328%0.278CS..Hα-helixtrans-60.5-48.7176.6-175.6-89.8000109.6S366 R372 K373 E374 Y772 T773S366-H370 WeakPolarHBondContact O-CB 3.36Å; S366-H370 PolarHBondContact O-N 3.37Å; H370-R372 PolarHBondContact O-N 3Å; H370-K373 WeakPolarHBondContact O-CB 3.4Å; H370-K373 PolarHBondContact O-N 3.26Å; H370-K373 VanDerWaalsContact O-N 3.17Å; H370-E374 IonicContact CE1-OE1 3.58Å; H370-E374 PolarHBondContact CE1-OE1 3.01Å; H370-E374 IonicContact ND1-OE1 3.84Å; H370-E374 PolarHBondContact ND1-OE1 3.38Å; H370-E374 WeakPolarHBondContact O-CG 3.47Å; H370-E374 PolarHBondContact O-N 3.17Å; H370-Y772 AromaticContact ND1-CD1 3.91Å; H370-T773 PolarHBondContact CE1-OG1 3.41Å; H370-T773 PolarHBondContact NE2-OG1 3.48Å
371R84Confident83.6Confident61 Ų6148.3 Ų48.323%0.2325%0.254CS..Hα-helixtrans-60.3-43176.9-175.854.3173.1173.83.7112.7D367 E374 L375 Y772 E796 L800D367-R371 VanDerWaalsContact O-CB 3.25Å; D367-R371 WeakPolarHBondContact O-CB 3.17Å; D367-R371 PolarHBondContact O-N 3.05Å; R371-E374 IonicContact NH1-OE2 2.67Å; R371-E374 PolarHBondContact NH1-OE2 2.97Å; R371-E374 VanDerWaalsContact NH1-OE2 3.08Å; R371-E374 WeakPolarHBondContact O-CB 3.21Å; R371-E374 PolarHBondContact O-N 3.49Å; R371-L375 WeakPolarHBondContact O-CG 3.41Å; R371-L375 PolarHBondContact O-N 3.3Å; R371-L375 VanDerWaalsContact O-N 3.09Å; R371-Y772 WeakPolarHBondContact CD-OH 3.48Å; R371-E796 IonicContact CZ-OE1 2.74Å; R371-E796 IonicContact NE-OE1 3.01Å; R371-E796 PolarHBondContact NE-OE1 2.69Å; R371-E796 IonicContact NH2-OE1 3.92Å; R371-E796 PolarHBondContact NH2-OE1 2.85Å; R371-E796 IonicContact NH2-OE2 3.1Å; R371-L800 HydrophobicContact CB-CD1 4.18Å; R371-L800 HydrophobicContact CG-CD1 3.71Å
372R86Confident82.8Confident64 Ų6450.3 Ų50.324%0.24227%0.267CS..Hα-helixtrans-62.5-43.6175.6-171.9-170.566.1176.5-3.1111.6A368 E369 H370 E374 L375 F376 L800 N801 I804A368-R372 WeakPolarHBondContact O-CB 3.49Å; A368-R372 PolarHBondContact O-N 3.01Å; E369-R372 PolarHBondContact O-N 2.81Å; H370-R372 PolarHBondContact O-N 3Å; R372-E374 VanDerWaalsContact C-N 3.35Å; R372-L375 PolarHBondContact O-N 2.84Å; R372-F376 HydrophobicContact CG-CD2 3.82Å; R372-F376 HydrophobicContact CG-CE2 3.58Å; R372-F376 VanDerWaalsContact O-CD2 3.27Å; R372-F376 WeakPolarHBondContact O-CD2 3.37Å; R372-F376 PolarHBondContact O-N 3.1Å; R372-L800 HydrophobicContact CB-CB 4.47Å; R372-L800 HydrophobicContact CB-CD1 4.33Å; R372-N801 WeakPolarHBondContact CD-OD1 3.45Å; R372-N801 PolarHBondContact NH1-OD1 3.45Å; R372-N801 VanDerWaalsContact NH1-OD1 3.13Å; R372-I804 HydrophobicContact CB-CD1 4.05Å; R372-I804 HydrophobicContact CG-CD1 4.44Å
373K84.4Confident82.5Confident130 Ų13055.4 Ų55.457%0.56529%0.288SS*.Hα-helixtrans-61.5-41.7176.1-78.3173.8-176.7166.50111.5E369 H370 F376 A377E369-K373 WeakPolarHBondContact O-CB 3.25Å; E369-K373 WeakPolarHBondContact O-CG 3.4Å; E369-K373 PolarHBondContact O-N 3.35Å; H370-K373 WeakPolarHBondContact O-CB 3.4Å; H370-K373 PolarHBondContact O-N 3.26Å; H370-K373 VanDerWaalsContact O-N 3.17Å; K373-F376 PolarHBondContact O-N 2.95Å; K373-A377 VanDerWaalsContact O-CB 3.28Å; K373-A377 WeakPolarHBondContact O-CB 3.49Å; K373-A377 PolarHBondContact O-N 3.3Å
374E83.5Confident82.2Confident19 Ų1958.9 Ų58.99%0.08930%0.303CS..Hα-helixtrans-59.7-45.8175.1-73.8-178.7165.900112.2H370 R371 R372 A377 K378 Y772 S776H370-E374 IonicContact CE1-OE1 3.58Å; H370-E374 PolarHBondContact CE1-OE1 3.01Å; H370-E374 IonicContact ND1-OE1 3.84Å; H370-E374 PolarHBondContact ND1-OE1 3.38Å; H370-E374 WeakPolarHBondContact O-CG 3.47Å; H370-E374 PolarHBondContact O-N 3.17Å; R371-E374 IonicContact NH1-OE2 2.67Å; R371-E374 PolarHBondContact NH1-OE2 2.97Å; R371-E374 VanDerWaalsContact NH1-OE2 3.08Å; R371-E374 WeakPolarHBondContact O-CB 3.21Å; R371-E374 PolarHBondContact O-N 3.49Å; R372-E374 VanDerWaalsContact C-N 3.35Å; E374-A377 WeakPolarHBondContact O-CB 3.34Å; E374-A377 PolarHBondContact O-N 3.03Å; E374-K378 WeakPolarHBondContact O-CB 3.45Å; E374-K378 PolarHBondContact O-N 3.25Å; E374-Y772 WeakPolarHBondContact OE2-CE1 3.37Å; E374-S776 WeakPolarHBondContact OE1-CB 3.02Å; E374-S776 PolarHBondContact OE1-OG 3.12Å
375L82.4Confident82.1Confident3 Ų358.6 Ų58.62%0.01630%0.296CS..Hα-helixtrans-64.7-41.8179.3-68.9173.3000111.9R371 R372 K378 Q379 E793 E796 V797 L800R371-L375 WeakPolarHBondContact O-CG 3.41Å; R371-L375 PolarHBondContact O-N 3.3Å; R371-L375 VanDerWaalsContact O-N 3.09Å; R372-L375 PolarHBondContact O-N 2.84Å; L375-K378 WeakPolarHBondContact O-CB 3.27Å; L375-K378 PolarHBondContact O-N 3.09Å; L375-Q379 PolarHBondContact O-N 2.93Å; L375-E793 HydrophobicContact CD2-CB 4.31Å; L375-E793 HydrophobicContact CD2-CG 4.05Å; L375-E796 HydrophobicContact CD1-CB 4.21Å; L375-E796 HydrophobicContact CD1-CG 4.04Å; L375-V797 HydrophobicContact CB-CG2 3.91Å; L375-V797 HydrophobicContact CD1-CG2 3.72Å; L375-V797 HydrophobicContact CG-CG2 4.46Å; L375-L800 HydrophobicContact CD1-CD1 3.92Å
376F82.9Confident81.5Confident93 Ų9366.1 Ų66.141%0.40833%0.33SS..Hα-helixtrans-66.1-39.1173-78.9-57000112.6R372 K373 K378 Q379 G380 V797R372-F376 HydrophobicContact CG-CD2 3.82Å; R372-F376 HydrophobicContact CG-CE2 3.58Å; R372-F376 VanDerWaalsContact O-CD2 3.27Å; R372-F376 WeakPolarHBondContact O-CD2 3.37Å; R372-F376 PolarHBondContact O-N 3.1Å; K373-F376 PolarHBondContact O-N 2.95Å; F376-K378 VanDerWaalsContact C-N 3.28Å; F376-K378 PolarHBondContact O-N 3.36Å; F376-Q379 PolarHBondContact O-N 3.31Å; F376-G380 PolarHBondContact O-N 3.27Å; F376-V797 HydrophobicContact CE1-CG1 4.49Å; F376-V797 HydrophobicContact CE2-CG1 4.26Å; F376-V797 HydrophobicContact CZ-CG1 3.86Å
377A81.8Confident81.3Confident53 Ų5365.7 Ų65.744%0.43833%0.327SS..Hα-helixtrans-61.1-40.117400000110.8K373 E374 G380 R381K373-A377 VanDerWaalsContact O-CB 3.28Å; K373-A377 WeakPolarHBondContact O-CB 3.49Å; K373-A377 PolarHBondContact O-N 3.3Å; E374-A377 WeakPolarHBondContact O-CB 3.34Å; E374-A377 PolarHBondContact O-N 3.03Å; A377-G380 PolarHBondContact O-N 3.3Å; A377-R381 WeakPolarHBondContact O-CG 3.33Å; A377-R381 PolarHBondContact O-N 2.81Å
378K79.4Confident81.3Confident68 Ų6867.2 Ų67.230%0.29633%0.327SS..Hα-helixtrans-60.7-45.9174.2-179.2166.8-174.2-170.70112.9E374 L375 F376 G380 R381 E793E374-K378 WeakPolarHBondContact O-CB 3.45Å; E374-K378 PolarHBondContact O-N 3.25Å; L375-K378 WeakPolarHBondContact O-CB 3.27Å; L375-K378 PolarHBondContact O-N 3.09Å; F376-K378 VanDerWaalsContact C-N 3.28Å; F376-K378 PolarHBondContact O-N 3.36Å; K378-G380 VanDerWaalsContact C-N 3.27Å; K378-G380 PolarHBondContact O-N 3.36Å; K378-R381 VanDerWaalsContact CA-NH1 3.27Å; K378-R381 WeakPolarHBondContact O-CG 3.46Å; K378-R381 PolarHBondContact O-N 2.89Å; K378-E793 WeakPolarHBondContact CE-OE1 3.49Å; K378-E793 IonicContact NZ-OE1 3.08Å; K378-E793 PolarHBondContact NZ-OE1 3.4Å
379Q78.8Confident81.1Confident74 Ų7470.7 Ų70.735%0.34635%0.351SS..Hα-helixtrans-60-36.9175.1-170-179.311.600112.3L375 F376 R381 L789L375-Q379 PolarHBondContact O-N 2.93Å; F376-Q379 PolarHBondContact O-N 3.31Å; Q379-R381 VanDerWaalsContact C-N 3.3Å; Q379-R381 PolarHBondContact O-N 3.46Å; Q379-L789 HydrophobicContact CB-CD1 4.13Å; Q379-L789 HydrophobicContact CB-CD2 4.41Å; Q379-L789 HydrophobicContact CB-CG 4.04Å; Q379-L789 HydrophobicContact CG-CD1 4.31Å; Q379-L789 HydrophobicContact CG-CG 4.24Å
380G80.5Confident81Confident22 Ų2272.1 Ų72.123%0.22736%0.357CS..Hα-helixtrans-72.8-11.5-179.600000115.8F376 A377 K378 V382 N383 Q384F376-G380 PolarHBondContact O-N 3.27Å; A377-G380 PolarHBondContact O-N 3.3Å; K378-G380 VanDerWaalsContact C-N 3.27Å; K378-G380 PolarHBondContact O-N 3.36Å; G380-V382 VanDerWaalsContact C-N 3.28Å; G380-V382 PolarHBondContact O-N 3.37Å; G380-N383 PolarHBondContact O-N 3.41Å; G380-N383 VanDerWaalsContact O-N 3.08Å; G380-Q384 PolarHBondContact O-N 2.79Å
381R80.9Confident80.9Confident19 Ų1970.1 Ų70.17%0.07235%0.348CS..Hα-helixtrans-65.3-29.2-173.6-64.5-175.1-175.8128.5-4.8113.7A377 K378 Q379 N383 Q384 F385 E780A377-R381 WeakPolarHBondContact O-CG 3.33Å; A377-R381 PolarHBondContact O-N 2.81Å; K378-R381 VanDerWaalsContact CA-NH1 3.27Å; K378-R381 WeakPolarHBondContact O-CG 3.46Å; K378-R381 PolarHBondContact O-N 2.89Å; Q379-R381 VanDerWaalsContact C-N 3.3Å; Q379-R381 PolarHBondContact O-N 3.46Å; R381-N383 PolarHBondContact O-N 3.37Å; R381-Q384 PolarHBondContact O-N 2.94Å; R381-Q384 VanDerWaalsContact O-N 3.09Å; R381-F385 HydrophobicContact CB-CD2 4.12Å; R381-F385 HydrophobicContact CB-CE2 4.43Å; R381-F385 HydrophobicContact CG-CE2 4.4Å; R381-F385 WeakPolarHBondContact O-CD2 3.38Å; R381-F385 PolarHBondContact O-N 2.75Å; R381-E780 WeakPolarHBondContact CD-OE1 3.37Å; R381-E780 IonicContact CZ-OE1 3.07Å; R381-E780 IonicContact CZ-OE2 2.82Å; R381-E780 IonicContact NE-OE1 2.68Å; R381-E780 PolarHBondContact NE-OE1 3.44Å; R381-E780 IonicContact NE-OE2 3.72Å; R381-E780 PolarHBondContact NE-OE2 3.28Å; R381-E780 VanDerWaalsContact NH1-CG 3.32Å; R381-E780 IonicContact NH1-OE1 2.71Å; R381-E780 PolarHBondContact NH1-OE1 2.86Å; R381-E780 IonicContact NH1-OE2 3.01Å; R381-E780 PolarHBondContact NH1-OE2 3.43Å; R381-E780 IonicContact NH2-OE1 2.61Å; R381-E780 IonicContact NH2-OE2 3.73Å; R381-E780 PolarHBondContact NH2-OE2 3.44Å
382V71.3Confident81.1Confident52 Ų5268.4 Ų68.432%0.31534%0.343SS..Hα-helixtrans-65.1-27.4176.2177.30000112.3G380 L785 L786G380-V382 VanDerWaalsContact C-N 3.28Å; G380-V382 PolarHBondContact O-N 3.37Å; V382-L785 HydrophobicContact CG2-CB 4.3Å; V382-L785 HydrophobicContact CG2-CD2 4.19Å; V382-L785 HydrophobicContact CG2-CG 4.32Å; V382-L786 WeakPolarHBondContact CG2-O 3.39Å
383N77.1Confident81.1Confident151 Ų15171.5 Ų71.581%0.80736%0.36SS*.Hα-helixtrans-84.6-16.3175.6-63.4-21.3000112.7G380 R381G380-N383 PolarHBondContact O-N 3.41Å; G380-N383 VanDerWaalsContact O-N 3.08Å; R381-N383 PolarHBondContact O-N 3.37Å
384Q76.7Confident81.3Confident129 Ų12969.1 Ų69.160%0.60335%0.348SS*.Hα-helixtrans-99.7-30.7-175.9-70.6-177.1-5.100113.6G380 R381G380-Q384 PolarHBondContact O-N 2.79Å; R381-Q384 PolarHBondContact O-N 2.94Å; R381-Q384 VanDerWaalsContact O-N 3.09Å
385F82.9Confident81.4Confident24 Ų2468.2 Ų68.211%0.10534%0.344CS..  trans-124.6130.2-173.6-54.8-74.1000111.1R381 S387 Q390 R391 W394 L785R381-F385 HydrophobicContact CB-CD2 4.12Å; R381-F385 HydrophobicContact CB-CE2 4.43Å; R381-F385 HydrophobicContact CG-CE2 4.4Å; R381-F385 WeakPolarHBondContact O-CD2 3.38Å; R381-F385 PolarHBondContact O-N 2.75Å; F385-S387 VanDerWaalsContact C-N 3.32Å; F385-Q390 HydrophobicContact CB-CB 4.38Å; F385-Q390 HydrophobicContact CD1-CB 4.05Å; F385-R391 HydrophobicContact CB-CB 3.92Å; F385-R391 HydrophobicContact CD1-CB 4.16Å; F385-R391 HydrophobicContact CD2-CB 3.63Å; F385-R391 HydrophobicContact CD2-CG 3.69Å; F385-R391 HydrophobicContact CE2-CB 4.18Å; F385-R391 HydrophobicContact CE2-CG 3.92Å; F385-R391 HydrophobicContact CG-CB 3.62Å; F385-R391 HydrophobicContact CG-CG 4.23Å; F385-W394 HydrophobicContact CE1-CB 3.62Å; F385-W394 HydrophobicContact CE1-CD2 4.37Å; F385-W394 AromaticContact CE1-CG 3.85Å; F385-W394 HydrophobicContact CE1-CG 3.85Å; F385-W394 HydrophobicContact CE2-CD2 4.46Å; F385-W394 HydrophobicContact CE2-CE3 4.28Å; F385-W394 HydrophobicContact CZ-CB 3.73Å; F385-W394 AromaticContact CZ-CD2 3.6Å; F385-W394 HydrophobicContact CZ-CD2 3.6Å; F385-W394 AromaticContact CZ-CE3 3.82Å; F385-W394 HydrophobicContact CZ-CE3 3.82Å; F385-W394 AromaticContact CZ-CG 3.56Å; F385-W394 HydrophobicContact CZ-CG 3.56Å; F385-L785 HydrophobicContact CB-CD2 4.42Å; F385-L785 WeakPolarHBondContact O-CD2 3.29Å
386Q73.9Confident81.6Confident185 Ų18573.9 Ų73.986%0.86437%0.368SS*.SBendtrans-78.1-20.1177.7-65-176.9-7.800112.3Q390Q386-Q390 VanDerWaalsContact N-OE1 3.14Å
387S80.9Confident81.9Confident38 Ų3874.1 Ų74.127%0.26637%0.374SS..SBendtrans-143.1158.3-179.373.70000112.4F385 S389 Q390 R391F385-S387 VanDerWaalsContact C-N 3.32Å; S387-S389 PolarHBondContact O-N 3.42Å; S387-S389 PolarHBondContact OG-OG 3.41Å; S387-Q390 PolarHBondContact O-N 3.29Å; S387-Q390 WeakPolarHBondContact OG-CG 3.47Å; S387-Q390 PolarHBondContact OG-N 3.42Å; S387-R391 PolarHBondContact O-N 2.99Å
388R82.5Confident82.1Confident113 Ų11374.7 Ų74.743%0.42637%0.368SS..Hα-helixtrans-55.7-37.9170.5168.8165.4169.2-176-7.2112.7R391 D392 G782 D784 L785R388-R391 PolarHBondContact O-N 3.24Å; R388-D392 IonicContact NE-OD2 3.71Å; R388-D392 WeakPolarHBondContact O-CB 3.48Å; R388-D392 VanDerWaalsContact O-CG 3.25Å; R388-D392 PolarHBondContact O-N 3.02Å; R388-G782 PolarHBondContact NH1-O 3.31Å; R388-G782 VanDerWaalsContact NH2-CA 3.33Å; R388-G782 PolarHBondContact NH2-O 3.45Å; R388-D784 IonicContact NH1-OD1 2.73Å; R388-D784 PolarHBondContact NH1-OD1 3.41Å; R388-L785 HydrophobicContact CB-CD1 4.2Å
389S82.8Confident82.5Confident78 Ų7873.6 Ų73.655%0.54536%0.364SS..Hα-helixtrans-65.1-44.1179.453.50000112.8S387 R391 D392 E393S387-S389 PolarHBondContact O-N 3.42Å; S387-S389 PolarHBondContact OG-OG 3.41Å; S389-R391 VanDerWaalsContact C-N 3.34Å; S389-R391 PolarHBondContact O-N 2.93Å; S389-D392 PolarHBondContact O-N 2.94Å; S389-E393 PolarHBondContact O-N 2.77Å
390Q83.7Confident83Confident92 Ų9277.5 Ų77.543%0.4338%0.38SS..Hα-helixtrans-62.7-41178.9-74.1176.7-5.700112F385 Q386 S387 W394F385-Q390 HydrophobicContact CB-CB 4.38Å; F385-Q390 HydrophobicContact CD1-CB 4.05Å; Q386-Q390 VanDerWaalsContact N-OE1 3.14Å; S387-Q390 PolarHBondContact O-N 3.29Å; S387-Q390 WeakPolarHBondContact OG-CG 3.47Å; S387-Q390 PolarHBondContact OG-N 3.42Å; Q390-W394 PolarHBondContact O-N 2.88Å
391R83.4Confident83.4Confident4 Ų479.4 Ų79.42%0.01539%0.39CS..Hα-helixtrans-63.9-47.7175.2-177.4-155.562.7-167.7-10.3111.5F385 S387 R388 S389 E393 W394 I395 E780 T783 L785F385-R391 HydrophobicContact CB-CB 3.92Å; F385-R391 HydrophobicContact CD1-CB 4.16Å; F385-R391 HydrophobicContact CD2-CB 3.63Å; F385-R391 HydrophobicContact CD2-CG 3.69Å; F385-R391 HydrophobicContact CE2-CB 4.18Å; F385-R391 HydrophobicContact CE2-CG 3.92Å; F385-R391 HydrophobicContact CG-CB 3.62Å; F385-R391 HydrophobicContact CG-CG 4.23Å; S387-R391 PolarHBondContact O-N 2.99Å; R388-R391 PolarHBondContact O-N 3.24Å; S389-R391 VanDerWaalsContact C-N 3.34Å; S389-R391 PolarHBondContact O-N 2.93Å; R391-E393 VanDerWaalsContact C-N 3.3Å; R391-E393 PolarHBondContact O-N 3.37Å; R391-W394 PolarHBondContact O-N 3.49Å; R391-I395 HydrophobicContact CG-CD1 3.97Å; R391-I395 HydrophobicContact CG-CG1 4.43Å; R391-I395 VanDerWaalsContact O-CG1 3.32Å; R391-I395 WeakPolarHBondContact O-CG1 3.35Å; R391-I395 PolarHBondContact O-N 2.69Å; R391-E780 WeakPolarHBondContact CD-OE1 3.42Å; R391-E780 IonicContact NE-OE1 3.97Å; R391-T783 PolarHBondContact NH1-O 2.9Å; R391-T783 PolarHBondContact NH1-OG1 2.91Å; R391-T783 PolarHBondContact NH2-O 3.11Å; R391-L785 HydrophobicContact CB-CD1 4.21Å
392D87Confident83.7Confident25 Ų2579.9 Ų79.913%0.13439%0.393CS..Hα-helixtrans-64.6-33.7-177.9-71-7.6000112.2R388 S389 K396 L781 G782R388-D392 IonicContact NE-OD2 3.71Å; R388-D392 WeakPolarHBondContact O-CB 3.48Å; R388-D392 VanDerWaalsContact O-CG 3.25Å; R388-D392 PolarHBondContact O-N 3.02Å; S389-D392 PolarHBondContact O-N 2.94Å; D392-K396 WeakPolarHBondContact O-CG 3.2Å; D392-K396 PolarHBondContact O-N 3.46Å; D392-K396 VanDerWaalsContact O-N 3.16Å; D392-L781 HydrophobicContact CB-CD1 4.47Å; D392-G782 PolarHBondContact OD1-N 2.9Å
393E86.7Confident84.5Confident129 Ų12980.1 Ų80.160%0.60340%0.397SS*.Hα-helixtrans-62.6-48.3171.5-158.996.2-142.500111.1S389 R391 I395 K396 D397S389-E393 PolarHBondContact O-N 2.77Å; R391-E393 VanDerWaalsContact C-N 3.3Å; R391-E393 PolarHBondContact O-N 3.37Å; E393-I395 PolarHBondContact O-N 3.09Å; E393-K396 WeakPolarHBondContact O-CB 3.33Å; E393-K396 PolarHBondContact O-N 3.2Å; E393-D397 PolarHBondContact O-N 3.38Å; E393-D397 VanDerWaalsContact O-N 3.11Å
394W87.4Confident85.2Confident81 Ų8179.8 Ų79.831%0.30739%0.389SS..Hα-helixtrans-62.6-41.2178.1176.288.5000112.6F385 Q390 R391 K396 D397 Q398 Y777F385-W394 HydrophobicContact CE1-CB 3.62Å; F385-W394 HydrophobicContact CE1-CD2 4.37Å; F385-W394 AromaticContact CE1-CG 3.85Å; F385-W394 HydrophobicContact CE1-CG 3.85Å; F385-W394 HydrophobicContact CE2-CD2 4.46Å; F385-W394 HydrophobicContact CE2-CE3 4.28Å; F385-W394 HydrophobicContact CZ-CB 3.73Å; F385-W394 AromaticContact CZ-CD2 3.6Å; F385-W394 HydrophobicContact CZ-CD2 3.6Å; F385-W394 AromaticContact CZ-CE3 3.82Å; F385-W394 HydrophobicContact CZ-CE3 3.82Å; F385-W394 AromaticContact CZ-CG 3.56Å; F385-W394 HydrophobicContact CZ-CG 3.56Å; Q390-W394 PolarHBondContact O-N 2.88Å; R391-W394 PolarHBondContact O-N 3.49Å; W394-K396 VanDerWaalsContact C-N 3.31Å; W394-K396 PolarHBondContact O-N 3.11Å; W394-D397 PolarHBondContact O-N 2.73Å; W394-Q398 HydrophobicContact CD2-CG 3.98Å; W394-Q398 HydrophobicContact CE3-CG 4.24Å; W394-Q398 HydrophobicContact CH2-CG 3.88Å; W394-Q398 HydrophobicContact CZ2-CG 3.6Å; W394-Q398 HydrophobicContact CZ3-CG 4.19Å; W394-Q398 WeakPolarHBondContact O-CG 3.48Å; W394-Q398 PolarHBondContact O-N 3.31Å; W394-Y777 HydrophobicContact CH2-CE1 4.14Å; W394-Y777 AromaticContact CZ3-CE1 3.9Å; W394-Y777 HydrophobicContact CZ3-CE1 3.9Å
395I85.6Confident85.8Confident0 Ų075.3 Ų75.30%037%0.374CS..Hα-helixtrans-59-43.8175.3-68.7168.9000110.4R391 E393 D397 Q398 M399 Y777 E780 L781R391-I395 HydrophobicContact CG-CD1 3.97Å; R391-I395 HydrophobicContact CG-CG1 4.43Å; R391-I395 VanDerWaalsContact O-CG1 3.32Å; R391-I395 WeakPolarHBondContact O-CG1 3.35Å; R391-I395 PolarHBondContact O-N 2.69Å; E393-I395 PolarHBondContact O-N 3.09Å; I395-D397 VanDerWaalsContact C-N 3.33Å; I395-D397 PolarHBondContact O-N 3.32Å; I395-Q398 PolarHBondContact O-N 2.98Å; I395-M399 HydrophobicContact CG2-CG 4.35Å; I395-M399 HydrophobicContact CG2-SD 4.02Å; I395-M399 VanDerWaalsContact O-CG 3.32Å; I395-M399 WeakPolarHBondContact O-CG 3.11Å; I395-M399 PolarHBondContact O-N 3.34Å; I395-Y777 HydrophobicContact CG1-CD1 4.42Å; I395-Y777 HydrophobicContact CG2-CD1 4.13Å; I395-Y777 HydrophobicContact CG2-CG 4.21Å; I395-Y777 WeakPolarHBondContact CG2-O 3.48Å; I395-E780 HydrophobicContact CD1-CB 4.4Å; I395-E780 HydrophobicContact CD1-CG 4.21Å; I395-E780 WeakPolarHBondContact CD1-OE1 3.1Å; I395-E780 WeakPolarHBondContact CD1-OE2 3.02Å; I395-L781 HydrophobicContact CB-CD1 4.15Å; I395-L781 HydrophobicContact CG2-CD1 3.76Å
396K88.2Confident86.1Confident121 Ų12174.7 Ų74.753%0.52637%0.372SS..Hα-helixtrans-61.4-41.2177.4-74172.7-177.3174.20112.1D392 E393 W394 M399 K400 L781D392-K396 WeakPolarHBondContact O-CG 3.2Å; D392-K396 PolarHBondContact O-N 3.46Å; D392-K396 VanDerWaalsContact O-N 3.16Å; E393-K396 WeakPolarHBondContact O-CB 3.33Å; E393-K396 PolarHBondContact O-N 3.2Å; W394-K396 VanDerWaalsContact C-N 3.31Å; W394-K396 PolarHBondContact O-N 3.11Å; K396-M399 PolarHBondContact O-N 3.35Å; K396-K400 PolarHBondContact O-N 3.05Å; K396-L781 HydrophobicContact CG-CD1 4.16Å
397D87.6Confident86.9Confident99 Ų9972.4 Ų72.453%0.52936%0.359SS..Hα-helixtrans-65.1-41.1176.2-80.4-18.2000112.2E393 W394 I395 K400 S401E393-D397 PolarHBondContact O-N 3.38Å; E393-D397 VanDerWaalsContact O-N 3.11Å; W394-D397 PolarHBondContact O-N 2.73Å; I395-D397 VanDerWaalsContact C-N 3.33Å; I395-D397 PolarHBondContact O-N 3.32Å; D397-K400 WeakPolarHBondContact O-CB 3.48Å; D397-K400 PolarHBondContact O-N 3.17Å; D397-S401 PolarHBondContact O-N 3.4Å
398Q86.8Confident87.3Confident65 Ų6574.7 Ų74.730%0.30437%0.368SS..Hα-helixtrans-65.1-40.4174.1-67.2-52.2-45.300112.4W394 I395 K400 S401 L402 Y777W394-Q398 HydrophobicContact CD2-CG 3.98Å; W394-Q398 HydrophobicContact CE3-CG 4.24Å; W394-Q398 HydrophobicContact CH2-CG 3.88Å; W394-Q398 HydrophobicContact CZ2-CG 3.6Å; W394-Q398 HydrophobicContact CZ3-CG 4.19Å; W394-Q398 WeakPolarHBondContact O-CG 3.48Å; W394-Q398 PolarHBondContact O-N 3.31Å; I395-Q398 PolarHBondContact O-N 2.98Å; Q398-K400 VanDerWaalsContact C-N 3.27Å; Q398-K400 PolarHBondContact O-N 3.38Å; Q398-S401 PolarHBondContact O-N 3.05Å; Q398-S401 PolarHBondContact O-OG 3.46Å; Q398-L402 VanDerWaalsContact O-CB 3.23Å; Q398-L402 WeakPolarHBondContact O-CB 3.33Å; Q398-L402 PolarHBondContact O-N 2.98Å; Q398-Y777 HydrophobicContact CB-CD2 4.4Å; Q398-Y777 HydrophobicContact CB-CE2 3.93Å
399M88.1Confident87.6Confident44 Ų4471.1 Ų71.122%0.21736%0.356CS..Hα-helixtrans-61.9-38.1174.3-72.5176.163.400111.6I395 K396 S403 Y777 K778I395-M399 HydrophobicContact CG2-CG 4.35Å; I395-M399 HydrophobicContact CG2-SD 4.02Å; I395-M399 VanDerWaalsContact O-CG 3.32Å; I395-M399 WeakPolarHBondContact O-CG 3.11Å; I395-M399 PolarHBondContact O-N 3.34Å; K396-M399 PolarHBondContact O-N 3.35Å; M399-S403 WeakPolarHBondContact O-CB 3.19Å; M399-S403 PolarHBondContact O-N 3.4Å; M399-S403 PolarHBondContact O-OG 3.07Å; M399-Y777 HydrophobicContact CG-CD2 4.42Å; M399-Y777 HydrophobicContact CG-CG 4.41Å; M399-K778 HydrophobicContact CE-CD 4.43Å; M399-K778 HydrophobicContact CE-CG 3.48Å; M399-K778 VanDerWaalsContact CE-CG 3.48Å; M399-K778 HydrophobicContact SD-CG 4.29Å
400K88.9Confident88Confident156 Ų15671 Ų7168%0.67835%0.346SS*.Hα-helixtrans-65.1-46.6177.3-169.4-179.2-178.9-1790111.7K396 D397 Q398 S403 K404K396-K400 PolarHBondContact O-N 3.05Å; D397-K400 WeakPolarHBondContact O-CB 3.48Å; D397-K400 PolarHBondContact O-N 3.17Å; Q398-K400 VanDerWaalsContact C-N 3.27Å; Q398-K400 PolarHBondContact O-N 3.38Å; K400-S403 PolarHBondContact O-N 3.29Å; K400-S403 PolarHBondContact O-OG 3.26Å; K400-K404 PolarHBondContact O-N 3.5Å
401S88.2Confident88.3Confident63 Ų6370.1 Ų70.144%0.44135%0.345SS..Hα-helixtrans-63.3-43.2177.568.50000111.8D397 Q398 K404 A405D397-S401 PolarHBondContact O-N 3.4Å; Q398-S401 PolarHBondContact O-N 3.05Å; Q398-S401 PolarHBondContact O-OG 3.46Å; S401-K404 WeakPolarHBondContact O-CB 3.27Å; S401-K404 PolarHBondContact O-N 2.85Å; S401-A405 PolarHBondContact O-N 3.14Å
402L87.5Confident88.5Confident28 Ų2872.9 Ų72.915%0.14736%0.362CS..Hα-helixtrans-66.2-39.4179.7-163.170.1000112.3Q398 K404 A405 I406 M770 T773 M774 Y777Q398-L402 VanDerWaalsContact O-CB 3.23Å; Q398-L402 WeakPolarHBondContact O-CB 3.33Å; Q398-L402 PolarHBondContact O-N 2.98Å; L402-K404 VanDerWaalsContact C-N 3.28Å; L402-K404 PolarHBondContact O-N 3.43Å; L402-A405 PolarHBondContact O-N 2.98Å; L402-A405 VanDerWaalsContact O-N 3.15Å; L402-I406 WeakPolarHBondContact O-CG1 3.2Å; L402-I406 PolarHBondContact O-N 3.01Å; L402-M770 HydrophobicContact CD1-CB 4.29Å; L402-M770 HydrophobicContact CD1-CG 4.3Å; L402-M770 WeakPolarHBondContact CD2-O 3.41Å; L402-T773 HydrophobicContact CD2-CG2 4.42Å; L402-M774 HydrophobicContact CD2-CB 3.6Å; L402-M774 HydrophobicContact CD2-CG 4.17Å; L402-Y777 HydrophobicContact CD2-CD2 4.47Å
403S89.7Confident88.7Confident57 Ų5772.4 Ų72.440%0.39936%0.359SS..Hα-helixtrans-60.6-36.9175.874.70000112.8M399 K400 K407M399-S403 WeakPolarHBondContact O-CB 3.19Å; M399-S403 PolarHBondContact O-N 3.4Å; M399-S403 PolarHBondContact O-OG 3.07Å; K400-S403 PolarHBondContact O-N 3.29Å; K400-S403 PolarHBondContact O-OG 3.26Å; S403-K407 PolarHBondContact O-N 3.4Å
404K89.8Confident88.9Confident144 Ų14470.8 Ų70.863%0.62636%0.355SS*.Hα-helixtrans-66.2-45.4174.6-173.4-177.5176-174.10110.6K400 S401 L402 I406 K407 D408K400-K404 PolarHBondContact O-N 3.5Å; S401-K404 WeakPolarHBondContact O-CB 3.27Å; S401-K404 PolarHBondContact O-N 2.85Å; L402-K404 VanDerWaalsContact C-N 3.28Å; L402-K404 PolarHBondContact O-N 3.43Å; K404-I406 PolarHBondContact O-N 3.27Å; K404-K407 PolarHBondContact O-N 2.96Å; K404-D408 PolarHBondContact O-N 3.31Å
405A89.5Confident89Confident35 Ų3573.8 Ų73.829%0.28937%0.37SS..Hα-helixtrans-61.8-41.7178.300000112.8S401 L402 K407 D408 K409 M770S401-A405 PolarHBondContact O-N 3.14Å; L402-A405 PolarHBondContact O-N 2.98Å; L402-A405 VanDerWaalsContact O-N 3.15Å; A405-K407 PolarHBondContact O-N 3.18Å; A405-D408 PolarHBondContact O-N 2.8Å; A405-K409 WeakPolarHBondContact O-CB 3.48Å; A405-K409 PolarHBondContact O-N 3.12Å; A405-M770 HydrophobicContact CB-CE 4.47Å; A405-M770 HydrophobicContact CB-SD 4.18Å
406I90.7Very high89.1Confident12 Ų1274.7 Ų74.76%0.06238%0.375CS..Hα-helixtrans-59.1-48175.1-69.8167.9000110.5L402 K404 D408 K409 E410 M770 K771 M774L402-I406 WeakPolarHBondContact O-CG1 3.2Å; L402-I406 PolarHBondContact O-N 3.01Å; K404-I406 PolarHBondContact O-N 3.27Å; I406-D408 PolarHBondContact O-N 2.64Å; I406-K409 PolarHBondContact O-N 2.98Å; I406-E410 HydrophobicContact CG2-CG 4.42Å; I406-E410 WeakPolarHBondContact O-CG 3.49Å; I406-E410 PolarHBondContact O-N 3.06Å; I406-M770 HydrophobicContact CD1-CB 4.21Å; I406-M770 HydrophobicContact CG1-CB 3.71Å; I406-M770 HydrophobicContact CG1-SD 4.47Å; I406-K771 HydrophobicContact CD1-CG 4.04Å; I406-M774 HydrophobicContact CD1-CB 4.46Å; I406-M774 HydrophobicContact CD1-CE 4.35Å; I406-M774 HydrophobicContact CD1-SD 3.8Å
407K90.4Very high89.2Confident137 Ų13771.8 Ų71.860%0.59637%0.367SS*.Hα-helixtrans-61.8-42.1179.9-172.5177-178.1177.40112.3S403 K404 A405 K409 E410 N411S403-K407 PolarHBondContact O-N 3.4Å; K404-K407 PolarHBondContact O-N 2.96Å; A405-K407 PolarHBondContact O-N 3.18Å; K407-K409 VanDerWaalsContact C-N 3.3Å; K407-K409 PolarHBondContact O-N 2.95Å; K407-E410 PolarHBondContact O-N 2.78Å; K407-N411 VanDerWaalsContact O-CG 3.29Å; K407-N411 PolarHBondContact O-N 3.25Å; K407-N411 VanDerWaalsContact O-N 3.11Å; K407-N411 PolarHBondContact O-ND2 3.48Å
408D89.5Confident89.3Confident86 Ų8672.3 Ų72.346%0.4637%0.367SS..Hα-helixtrans-63.2-39.7176.7-70-22.7000111K404 A405 I406 N411 T412K404-D408 PolarHBondContact O-N 3.31Å; A405-D408 PolarHBondContact O-N 2.8Å; I406-D408 PolarHBondContact O-N 2.64Å; D408-N411 PolarHBondContact O-N 3.24Å; D408-T412 PolarHBondContact O-N 3.11Å; D408-T412 VanDerWaalsContact O-N 3.15Å
409K87.8Confident89.4Confident37 Ų3773.5 Ų73.516%0.16137%0.372CS..Hα-helixtrans-69-42.3177.9-151.7127.1-175.3178.50112.7A405 I406 K407 N411 T412 I413 L763 D766 L767 M770A405-K409 WeakPolarHBondContact O-CB 3.48Å; A405-K409 PolarHBondContact O-N 3.12Å; I406-K409 PolarHBondContact O-N 2.98Å; K407-K409 VanDerWaalsContact C-N 3.3Å; K407-K409 PolarHBondContact O-N 2.95Å; K409-N411 VanDerWaalsContact C-N 3.3Å; K409-N411 PolarHBondContact O-N 2.86Å; K409-T412 WeakPolarHBondContact CA-OG1 3.5Å; K409-T412 PolarHBondContact O-N 3.03Å; K409-T412 VanDerWaalsContact O-N 3.11Å; K409-T412 PolarHBondContact O-OG1 2.85Å; K409-I413 PolarHBondContact O-N 2.88Å; K409-I413 VanDerWaalsContact O-N 3.07Å; K409-L763 HydrophobicContact CD-CD2 4.49Å; K409-L763 VanDerWaalsContact CE-CD2 3.46Å; K409-L763 HydrophobicContact CG-CD2 4.48Å; K409-D766 HydrophobicContact CD-CB 4.35Å; K409-D766 VanDerWaalsContact CE-CB 3.45Å; K409-D766 VanDerWaalsContact NZ-CG 3.32Å; K409-D766 IonicContact NZ-OD2 3.62Å; K409-D766 PolarHBondContact NZ-OD2 3.44Å; K409-L767 HydrophobicContact CG-CB 4.37Å; K409-M770 HydrophobicContact CD-CE 4.31Å; K409-M770 HydrophobicContact CD-SD 4.33Å
410E91.2Very high89.4Confident75 Ų7572.6 Ų72.635%0.3537%0.368SS..Hα-helixtrans-57.1-43.5173.2-75.2178.8165.300111.6I406 K407 T412 I413 N414 L767 K771I406-E410 HydrophobicContact CG2-CG 4.42Å; I406-E410 WeakPolarHBondContact O-CG 3.49Å; I406-E410 PolarHBondContact O-N 3.06Å; K407-E410 PolarHBondContact O-N 2.78Å; E410-T412 VanDerWaalsContact C-N 3.34Å; E410-T412 PolarHBondContact O-N 2.77Å; E410-I413 PolarHBondContact O-N 2.91Å; E410-N414 PolarHBondContact O-N 2.91Å; E410-N414 VanDerWaalsContact O-N 3.07Å; E410-L767 HydrophobicContact CB-CD1 4.41Å; E410-L767 HydrophobicContact CG-CD1 3.34Å; E410-K771 WeakPolarHBondContact OE1-CE 3.47Å; E410-K771 IonicContact OE1-NZ 3.36Å; E410-K771 PolarHBondContact OE1-NZ 3.45Å
411N90.5Very high89.5Confident74 Ų7471.7 Ų71.740%0.39636%0.364SS..Hα-helixtrans-62-39.2175.7-71.6-29.8000112.5K407 D408 K409 K415K407-N411 VanDerWaalsContact O-CG 3.29Å; K407-N411 PolarHBondContact O-N 3.25Å; K407-N411 VanDerWaalsContact O-N 3.11Å; K407-N411 PolarHBondContact O-ND2 3.48Å; D408-N411 PolarHBondContact O-N 3.24Å; K409-N411 VanDerWaalsContact C-N 3.3Å; K409-N411 PolarHBondContact O-N 2.86Å; N411-K415 WeakPolarHBondContact O-CG 3.37Å; N411-K415 PolarHBondContact O-N 3.06Å; N411-K415 VanDerWaalsContact O-N 3.17Å
412T88.4Confident89.5Confident63 Ų6376.2 Ų76.239%0.38737%0.371SS..Hα-helixtrans-66.4-38.6176.955.90000112.9D408 K409 E410 L416D408-T412 PolarHBondContact O-N 3.11Å; D408-T412 VanDerWaalsContact O-N 3.15Å; K409-T412 WeakPolarHBondContact CA-OG1 3.5Å; K409-T412 PolarHBondContact O-N 3.03Å; K409-T412 VanDerWaalsContact O-N 3.11Å; K409-T412 PolarHBondContact O-OG1 2.85Å; E410-T412 VanDerWaalsContact C-N 3.34Å; E410-T412 PolarHBondContact O-N 2.77Å; T412-L416 PolarHBondContact O-N 3.39Å; T412-L416 VanDerWaalsContact O-N 3.16Å
413I90.2Very high89.5Confident14 Ų1475.9 Ų75.97%0.07237%0.37CS..Hα-helixtrans-64.3-44.6176.8-68.9166000110.6K409 E410 K415 L416 T417 L763 R764 L767K409-I413 PolarHBondContact O-N 2.88Å; K409-I413 VanDerWaalsContact O-N 3.07Å; E410-I413 PolarHBondContact O-N 2.91Å; I413-K415 PolarHBondContact O-N 3.46Å; I413-L416 PolarHBondContact O-N 3.25Å; I413-T417 WeakPolarHBondContact O-CB 3.35Å; I413-T417 PolarHBondContact O-N 3.42Å; I413-T417 PolarHBondContact O-OG1 2.68Å; I413-L763 HydrophobicContact CD1-CB 4.17Å; I413-L763 HydrophobicContact CG1-CB 3.79Å; I413-L763 HydrophobicContact CG1-CD1 4.43Å; I413-R764 HydrophobicContact CD1-CG 3.95Å; I413-L767 HydrophobicContact CD1-CB 4.49Å; I413-L767 HydrophobicContact CD1-CD1 3.82Å
414N90.9Very high89.4Confident95 Ų9575.8 Ų75.851%0.50837%0.365SS..Hα-helixtrans-61.4-45.5179.2-72.4-17.9000112E410 L416 T417 E418E410-N414 PolarHBondContact O-N 2.91Å; E410-N414 VanDerWaalsContact O-N 3.07Å; N414-L416 PolarHBondContact O-N 3.04Å; N414-T417 PolarHBondContact O-N 2.9Å; N414-E418 PolarHBondContact O-N 2.76Å
415K89.5Confident89.4Confident144 Ų14473.4 Ų73.463%0.62636%0.356SS*.Hα-helixtrans-58.1-47.7176.5-72.2179.5-174.9-176.20112.1N411 I413 T417 E418 E419N411-K415 WeakPolarHBondContact O-CG 3.37Å; N411-K415 PolarHBondContact O-N 3.06Å; N411-K415 VanDerWaalsContact O-N 3.17Å; I413-K415 PolarHBondContact O-N 3.46Å; K415-T417 VanDerWaalsContact C-N 3.29Å; K415-T417 PolarHBondContact O-N 3.06Å; K415-E418 PolarHBondContact O-N 3.28Å; K415-E419 WeakPolarHBondContact O-CG 3.35Å; K415-E419 PolarHBondContact O-N 3.42Å; K415-E419 VanDerWaalsContact O-N 3.09Å
416L88.2Confident89.3Confident19 Ų1976.2 Ų76.210%0.09936%0.359CS..Hα-helixtrans-66.4-33.4-179-169.461000112.1T412 I413 N414 E419 I420 K756 K759 L760 L763T412-L416 PolarHBondContact O-N 3.39Å; T412-L416 VanDerWaalsContact O-N 3.16Å; I413-L416 PolarHBondContact O-N 3.25Å; N414-L416 PolarHBondContact O-N 3.04Å; L416-E419 PolarHBondContact O-N 3.09Å; L416-I420 WeakPolarHBondContact O-CG1 3.37Å; L416-I420 PolarHBondContact O-N 3.46Å; L416-K756 HydrophobicContact CD1-CB 4.11Å; L416-K756 HydrophobicContact CD1-CD 4.44Å; L416-K756 HydrophobicContact CD1-CG 4.19Å; L416-K759 HydrophobicContact CD2-CB 4.06Å; L416-K759 HydrophobicContact CD2-CD 4.39Å; L416-K759 HydrophobicContact CD2-CG 4.14Å; L416-L760 HydrophobicContact CD2-CB 3.81Å; L416-L760 HydrophobicContact CG-CB 4.49Å; L416-L760 HydrophobicContact CG-CD1 4.43Å; L416-L763 HydrophobicContact CD2-CD1 4.39Å
417T89.7Confident89.2Confident60 Ų6078.5 Ų78.537%0.36837%0.367SS..Hα-helixtrans-66.6-43.1175.4-50.80000111.5I413 N414 K415 E419 I420 K421 L760I413-T417 WeakPolarHBondContact O-CB 3.35Å; I413-T417 PolarHBondContact O-N 3.42Å; I413-T417 PolarHBondContact O-OG1 2.68Å; N414-T417 PolarHBondContact O-N 2.9Å; K415-T417 VanDerWaalsContact C-N 3.29Å; K415-T417 PolarHBondContact O-N 3.06Å; T417-E419 VanDerWaalsContact C-N 3.35Å; T417-I420 PolarHBondContact O-N 2.91Å; T417-K421 PolarHBondContact O-N 3.21Å; T417-L760 WeakPolarHBondContact OG1-CD1 3.37Å
418E89.8Confident89.1Confident110 Ų11077.8 Ų77.851%0.51437%0.366SS..Hα-helixtrans-63.7-38.9175.4-75.6-168.3-174.900112.7N414 K415 I420 K421 R422N414-E418 PolarHBondContact O-N 2.76Å; K415-E418 PolarHBondContact O-N 3.28Å; E418-I420 PolarHBondContact O-N 3.37Å; E418-K421 PolarHBondContact O-N 3.49Å; E418-R422 WeakPolarHBondContact O-CG 3.44Å; E418-R422 PolarHBondContact O-N 3.42Å; E418-R422 IonicContact OE2-NH2 2.84Å; E418-R422 PolarHBondContact OE2-NH2 3.13Å
419E88.2Confident89Confident90 Ų9079.6 Ų79.642%0.42137%0.37SS..Hα-helixtrans-60.7-44.3178-75.6178.8-164.200112.4K415 L416 T417 K421 R422 D423 K756K415-E419 WeakPolarHBondContact O-CG 3.35Å; K415-E419 PolarHBondContact O-N 3.42Å; K415-E419 VanDerWaalsContact O-N 3.09Å; L416-E419 PolarHBondContact O-N 3.09Å; T417-E419 VanDerWaalsContact C-N 3.35Å; E419-K421 VanDerWaalsContact C-N 3.3Å; E419-K421 PolarHBondContact O-N 3.44Å; E419-R422 PolarHBondContact O-N 3.22Å; E419-D423 PolarHBondContact O-N 3.46Å; E419-D423 VanDerWaalsContact O-N 3.11Å; E419-K756 IonicContact OE2-NZ 3.37Å
420I88.5Confident88.9Confident26 Ų2677.9 Ų77.913%0.13336%0.362CS..Hα-helixtrans-60.6-42.6177.6-66.5168.1000110.4L416 T417 E418 D423 D424 K756 E757 L760L416-I420 WeakPolarHBondContact O-CG1 3.37Å; L416-I420 PolarHBondContact O-N 3.46Å; T417-I420 PolarHBondContact O-N 2.91Å; E418-I420 PolarHBondContact O-N 3.37Å; I420-D423 PolarHBondContact O-N 2.89Å; I420-D424 PolarHBondContact O-N 2.84Å; I420-D424 VanDerWaalsContact O-N 3.13Å; I420-K756 HydrophobicContact CD1-CB 3.96Å; I420-K756 HydrophobicContact CG1-CB 3.88Å; I420-K756 HydrophobicContact CG1-CD 4.12Å; I420-E757 HydrophobicContact CD1-CG 4.11Å; I420-L760 HydrophobicContact CD1-CD1 4.26Å
421K90.4Very high88.7Confident137 Ų13778.9 Ų78.960%0.59637%0.367SS*.Hα-helixtrans-63.3-43.5179.1-169.2-176.2175.7-1720112.5T417 E418 E419 D423 D424 E425T417-K421 PolarHBondContact O-N 3.21Å; E418-K421 PolarHBondContact O-N 3.49Å; E419-K421 VanDerWaalsContact C-N 3.3Å; E419-K421 PolarHBondContact O-N 3.44Å; K421-D423 VanDerWaalsContact C-N 3.33Å; K421-D423 PolarHBondContact O-N 2.97Å; K421-D424 PolarHBondContact O-N 3.46Å; K421-E425 WeakPolarHBondContact CE-OE1 3.49Å; K421-E425 PolarHBondContact O-N 3.22Å; K421-E425 VanDerWaalsContact O-N 3.11Å
422R89.4Confident88.6Confident157 Ų15780.7 Ų80.759%0.59237%0.373SS*.Hα-helixtrans-64.1-38177.8-68.6179.6-159.3-179.57.8112.4E418 E419 R426E418-R422 WeakPolarHBondContact O-CG 3.44Å; E418-R422 PolarHBondContact O-N 3.42Å; E418-R422 IonicContact OE2-NH2 2.84Å; E418-R422 PolarHBondContact OE2-NH2 3.13Å; E419-R422 PolarHBondContact O-N 3.22Å; R422-R426 PolarHBondContact O-N 3.01Å; R422-R426 VanDerWaalsContact O-N 3.15Å
423D87.4Confident88.6Confident22 Ų2281 Ų8112%0.11837%0.372CS..Hα-helixtrans-66.7-37.4177.2-74.4-28.8000111.8E419 I420 K421 R426 R427 K749 K756E419-D423 PolarHBondContact O-N 3.46Å; E419-D423 VanDerWaalsContact O-N 3.11Å; I420-D423 PolarHBondContact O-N 2.89Å; K421-D423 VanDerWaalsContact C-N 3.33Å; K421-D423 PolarHBondContact O-N 2.97Å; D423-R426 PolarHBondContact O-N 2.91Å; D423-R427 WeakPolarHBondContact O-CG 3.47Å; D423-R427 PolarHBondContact O-N 2.97Å; D423-K749 HydrophobicContact CB-CD 4.4Å; D423-K749 IonicContact OD1-NZ 2.92Å; D423-K749 PolarHBondContact OD1-NZ 3.04Å; D423-K756 IonicContact OD2-NZ 2.74Å; D423-K756 PolarHBondContact OD2-NZ 2.94Å
424D87.4Confident88.4Confident54 Ų5481.4 Ų81.429%0.28938%0.375SS..Hα-helixtrans-66.1-44.3175.1-78.7-25.2000112.1I420 K421 R426 R427 E428 K753I420-D424 PolarHBondContact O-N 2.84Å; I420-D424 VanDerWaalsContact O-N 3.13Å; K421-D424 PolarHBondContact O-N 3.46Å; D424-R426 VanDerWaalsContact C-N 3.31Å; D424-R426 PolarHBondContact O-N 3.07Å; D424-R427 WeakPolarHBondContact O-CB 3.37Å; D424-R427 PolarHBondContact O-N 3.5Å; D424-R427 IonicContact OD1-NE 2.6Å; D424-E428 PolarHBondContact O-N 3.29Å; D424-K753 IonicContact OD1-NZ 2.73Å; D424-K753 PolarHBondContact OD1-NZ 3.23Å; D424-K753 IonicContact OD2-NZ 3.33Å; D424-K753 PolarHBondContact OD2-NZ 3.06Å
425E89.3Confident88.2Confident95 Ų9582.9 Ų82.944%0.44438%0.378SS..Hα-helixtrans-62.1-35.6176.4-71.8173.4-170.800112.7K421 K429K421-E425 WeakPolarHBondContact CE-OE1 3.49Å; K421-E425 PolarHBondContact O-N 3.22Å; K421-E425 VanDerWaalsContact O-N 3.11Å; E425-K429 PolarHBondContact O-N 3.45Å
426R88.7Confident88.2Confident93 Ų9379.9 Ų79.935%0.35137%0.372SS..Hα-helixtrans-69.2-39.3177.6179.257.7176161.82.4112.1R422 D423 D424 K429 L430 E745R422-R426 PolarHBondContact O-N 3.01Å; R422-R426 VanDerWaalsContact O-N 3.15Å; D423-R426 PolarHBondContact O-N 2.91Å; D424-R426 VanDerWaalsContact C-N 3.31Å; D424-R426 PolarHBondContact O-N 3.07Å; R426-K429 PolarHBondContact O-N 2.8Å; R426-L430 HydrophobicContact CG-CD1 4.06Å; R426-L430 WeakPolarHBondContact O-CG 3.48Å; R426-L430 PolarHBondContact O-N 3.27Å; R426-L430 VanDerWaalsContact O-N 3.09Å; R426-E745 IonicContact CZ-OE1 3.79Å; R426-E745 IonicContact CZ-OE2 2.85Å; R426-E745 IonicContact NE-OE1 2.9Å; R426-E745 PolarHBondContact NE-OE1 3.02Å; R426-E745 IonicContact NH2-OE1 2.81Å; R426-E745 PolarHBondContact NH2-OE1 3.29Å; R426-E745 IonicContact NH2-OE2 3.37Å; R426-E745 PolarHBondContact NH2-OE2 3.34Å
427R87.6Confident88.1Confident61 Ų6179.2 Ų79.223%0.2337%0.369CS..Hα-helixtrans-60.4-44.2177.5-76.8167.328.7130.38.9112.2D423 D424 L430 Q431 L746 K749 Q750D423-R427 WeakPolarHBondContact O-CG 3.47Å; D423-R427 PolarHBondContact O-N 2.97Å; D424-R427 WeakPolarHBondContact O-CB 3.37Å; D424-R427 PolarHBondContact O-N 3.5Å; D424-R427 IonicContact OD1-NE 2.6Å; R427-L430 PolarHBondContact O-N 2.94Å; R427-Q431 WeakPolarHBondContact O-CG 3.49Å; R427-Q431 PolarHBondContact O-N 3.13Å; R427-Q431 VanDerWaalsContact O-N 3.12Å; R427-L746 HydrophobicContact CB-CD1 3.94Å; R427-L746 HydrophobicContact CG-CD1 4.08Å; R427-K749 HydrophobicContact CG-CB 3.84Å; R427-Q750 VanDerWaalsContact NH1-CG 3.28Å
428E87.6Confident87.8Confident121 Ų12179.9 Ų79.957%0.56537%0.368SS*.Hα-helixtrans-63.5-42.4-179.2-169.3176-176.500111.6D424 Q431 Q432D424-E428 PolarHBondContact O-N 3.29Å; E428-Q431 PolarHBondContact O-N 2.9Å; E428-Q432 PolarHBondContact O-N 2.99Å
429K88.2Confident87.6Confident125 Ų12580.6 Ų80.654%0.54337%0.371SS..Hα-helixtrans-61.5-45.6174.4-70.4-179179.9-179.60112.8E425 R426 Q431 Q432 D433E425-K429 PolarHBondContact O-N 3.45Å; R426-K429 PolarHBondContact O-N 2.8Å; K429-Q431 VanDerWaalsContact C-N 3.25Å; K429-Q431 PolarHBondContact O-N 3.07Å; K429-Q432 PolarHBondContact O-N 2.77Å; K429-D433 PolarHBondContact O-N 3.44Å
430L86.7Confident87.5Confident1 Ų180.1 Ų80.11%0.00537%0.371CS..Hα-helixtrans-60.9-34.4178.7-76.4167.6000112.7R426 R427 L434 W742 E745 L746R426-L430 HydrophobicContact CG-CD1 4.06Å; R426-L430 WeakPolarHBondContact O-CG 3.48Å; R426-L430 PolarHBondContact O-N 3.27Å; R426-L430 VanDerWaalsContact O-N 3.09Å; R427-L430 PolarHBondContact O-N 2.94Å; L430-L434 WeakPolarHBondContact O-CB 3.44Å; L430-L434 PolarHBondContact O-N 2.64Å; L430-W742 HydrophobicContact CD2-CB 4.26Å; L430-W742 HydrophobicContact CD2-CG 4.16Å; L430-E745 HydrophobicContact CD1-CB 4.01Å; L430-E745 HydrophobicContact CD1-CG 3.74Å; L430-L746 HydrophobicContact CB-CD1 4.33Å
431Q86.5Confident87.2Confident95 Ų9581.2 Ų81.244%0.44438%0.377SS..Hα-helixtrans-66.8-41.6175.7-74.6179-42.900112R427 E428 K429 L434 E435 L746R427-Q431 WeakPolarHBondContact O-CG 3.49Å; R427-Q431 PolarHBondContact O-N 3.13Å; R427-Q431 VanDerWaalsContact O-N 3.12Å; E428-Q431 PolarHBondContact O-N 2.9Å; K429-Q431 VanDerWaalsContact C-N 3.25Å; K429-Q431 PolarHBondContact O-N 3.07Å; Q431-L434 PolarHBondContact O-N 2.88Å; Q431-E435 PolarHBondContact O-N 3.19Å; Q431-L746 HydrophobicContact CG-CD1 3.92Å; Q431-L746 HydrophobicContact CG-CD2 3.94Å
432Q88.4Confident86.9Confident113 Ų11378.7 Ų78.753%0.52837%0.373SS..Hα-helixtrans-65.9-44.4176.9-68.7175.3-4.200112.1E428 K429 L434 E435 V436E428-Q432 PolarHBondContact O-N 2.99Å; K429-Q432 PolarHBondContact O-N 2.77Å; Q432-L434 PolarHBondContact O-N 2.93Å; Q432-E435 PolarHBondContact O-N 3.38Å; Q432-V436 PolarHBondContact O-N 2.77Å
433D87.9Confident86.8Confident68 Ų6874.4 Ų74.436%0.36437%0.366SS..Hα-helixtrans-59.2-39.4179-70.1-27000111.3K429 V436 A437 W742K429-D433 PolarHBondContact O-N 3.44Å; D433-V436 PolarHBondContact O-N 2.86Å; D433-A437 PolarHBondContact O-N 2.97Å; D433-W742 VanDerWaalsContact C-CZ3 3.5Å; D433-W742 HydrophobicContact CB-CD2 4.37Å; D433-W742 HydrophobicContact CB-CE3 3.94Å; D433-W742 HydrophobicContact CB-CH2 3.98Å; D433-W742 HydrophobicContact CB-CZ2 4.4Å; D433-W742 HydrophobicContact CB-CZ3 3.72Å; D433-W742 WeakPolarHBondContact O-CZ3 3.43Å
434L86.4Confident86.7Confident24 Ų2474.1 Ų74.113%0.12637%0.365CS..Hα-helixtrans-67.7-39.1-177.8-169.8145.4000113.2L430 Q431 Q432 A437 E438 W742 K743L430-L434 WeakPolarHBondContact O-CB 3.44Å; L430-L434 PolarHBondContact O-N 2.64Å; Q431-L434 PolarHBondContact O-N 2.88Å; Q432-L434 PolarHBondContact O-N 2.93Å; L434-A437 PolarHBondContact O-N 3.27Å; L434-E438 HydrophobicContact CD2-CG 4.43Å; L434-E438 WeakPolarHBondContact CD2-OE1 3.32Å; L434-E438 WeakPolarHBondContact O-CG 3.31Å; L434-E438 PolarHBondContact O-N 3.19Å; L434-W742 HydrophobicContact CB-CE3 4.41Å; L434-W742 HydrophobicContact CD1-CB 4.26Å; L434-K743 HydrophobicContact CD1-CB 4.49Å; L434-K743 HydrophobicContact CD1-CD 4.25Å; L434-K743 HydrophobicContact CD1-CG 3.4Å
435E86.6Confident86.4Confident126 Ų12676.4 Ų76.459%0.58937%0.37SS*.Hα-helixtrans-62-45.8175.1-170.4171.5-163.200111.1Q431 Q432 A437 E438 E439Q431-E435 PolarHBondContact O-N 3.19Å; Q432-E435 PolarHBondContact O-N 3.38Å; E435-A437 PolarHBondContact O-N 3.11Å; E435-E438 PolarHBondContact O-N 2.57Å; E435-E439 PolarHBondContact O-N 2.93Å; E435-E439 VanDerWaalsContact O-N 3.12Å
436V88.8Confident86.2Confident81 Ų8178.7 Ų78.749%0.49138%0.378SS..Hα-helixtrans-63.7-39.1177.7175.10000112.2Q432 D433 N440Q432-V436 PolarHBondContact O-N 2.77Å; D433-V436 PolarHBondContact O-N 2.86Å; V436-N440 PolarHBondContact O-N 2.95Å; V436-N440 VanDerWaalsContact O-N 3.13Å; V436-N440 PolarHBondContact O-ND2 3.2Å
437A86.1Confident86.1Confident4 Ų478 Ų783%0.03338%0.379CS..Hα-helixtrans-69.9-37.7178.100000112.8D433 L434 E435 N440 M441 L735 I739 W742D433-A437 PolarHBondContact O-N 2.97Å; L434-A437 PolarHBondContact O-N 3.27Å; E435-A437 PolarHBondContact O-N 3.11Å; A437-N440 PolarHBondContact O-N 2.88Å; A437-M441 WeakPolarHBondContact O-CB 3.35Å; A437-M441 PolarHBondContact O-N 3.13Å; A437-L735 HydrophobicContact CB-CD2 4.34Å; A437-I739 HydrophobicContact CB-CD1 4.18Å; A437-I739 HydrophobicContact CB-CG1 3.73Å; A437-W742 HydrophobicContact CB-CE3 4.4Å; A437-W742 HydrophobicContact CB-CH2 4.41Å; A437-W742 HydrophobicContact CB-CZ3 3.61Å
438E84Confident85.9Confident74 Ų7476.8 Ų76.835%0.34638%0.377SS..Hα-helixtrans-63.4-41.7175.6-75.3-179.6169.500111.2L434 E435 M441 T442 I739 K743L434-E438 HydrophobicContact CD2-CG 4.43Å; L434-E438 WeakPolarHBondContact CD2-OE1 3.32Å; L434-E438 WeakPolarHBondContact O-CG 3.31Å; L434-E438 PolarHBondContact O-N 3.19Å; E435-E438 PolarHBondContact O-N 2.57Å; E438-M441 PolarHBondContact O-N 3.46Å; E438-T442 PolarHBondContact O-N 3.47Å; E438-I739 HydrophobicContact CG-CD1 3.83Å; E438-I739 HydrophobicContact CG-CG1 4.34Å; E438-I739 HydrophobicContact CG-CG2 4.47Å; E438-K743 IonicContact OE1-NZ 3.09Å; E438-K743 PolarHBondContact OE1-NZ 3.2Å
439E86.3Confident85.5Confident126 Ų12675.7 Ų75.759%0.58937%0.372SS*.Hα-helixtrans-61.9-48.7174-72.9-174.1163.100112.6E435 M441 T442 C443E435-E439 PolarHBondContact O-N 2.93Å; E435-E439 VanDerWaalsContact O-N 3.12Å; E439-M441 VanDerWaalsContact C-N 3.26Å; E439-M441 PolarHBondContact O-N 3.27Å; E439-T442 PolarHBondContact O-N 3.33Å; E439-T442 VanDerWaalsContact O-N 3.09Å; E439-T442 PolarHBondContact O-OG1 3.08Å; E439-C443 PolarHBondContact O-N 2.68Å
440N85.6Confident85.5Confident79 Ų7973.3 Ų73.342%0.42237%0.368SS..Hα-helixtrans-59.3-37.6178.5-76.2-42000112.4V436 A437 T442 C443 V444 L735V436-N440 PolarHBondContact O-N 2.95Å; V436-N440 VanDerWaalsContact O-N 3.13Å; V436-N440 PolarHBondContact O-ND2 3.2Å; A437-N440 PolarHBondContact O-N 2.88Å; N440-T442 VanDerWaalsContact C-N 3.28Å; N440-T442 PolarHBondContact O-N 3.17Å; N440-C443 PolarHBondContact O-N 3.27Å; N440-V444 WeakPolarHBondContact O-CG2 3.26Å; N440-V444 PolarHBondContact O-N 2.94Å; N440-L735 HydrophobicContact CB-CD1 3.98Å; N440-L735 HydrophobicContact CB-CD2 4.3Å
441M82.6Confident85.4Confident50 Ų5073.8 Ų73.825%0.24637%0.371CS..Hα-helixtrans-62-37.1177.8-171.5178.169.400111.6A437 E438 E439 R445 F732 L735 I739A437-M441 WeakPolarHBondContact O-CB 3.35Å; A437-M441 PolarHBondContact O-N 3.13Å; E438-M441 PolarHBondContact O-N 3.46Å; E439-M441 VanDerWaalsContact C-N 3.26Å; E439-M441 PolarHBondContact O-N 3.27Å; M441-R445 PolarHBondContact O-N 2.87Å; M441-F732 HydrophobicContact CG-CD2 3.78Å; M441-F732 HydrophobicContact CG-CE2 3.39Å; M441-F732 HydrophobicContact CG-CZ 4.01Å; M441-F732 HydrophobicContact SD-CE2 4.26Å; M441-F732 HydrophobicContact SD-CZ 4.29Å; M441-L735 HydrophobicContact CB-CB 4.42Å; M441-L735 HydrophobicContact CB-CD1 4.36Å; M441-I739 HydrophobicContact CE-CD1 4.34Å; M441-I739 HydrophobicContact SD-CD1 3.99Å
442T84.4Confident85Confident84 Ų8470.8 Ų70.852%0.51536%0.36SS..Hα-helixtrans-70.1-34175.468.60000113.2E438 E439 N440 R445 K446E438-T442 PolarHBondContact O-N 3.47Å; E439-T442 PolarHBondContact O-N 3.33Å; E439-T442 VanDerWaalsContact O-N 3.09Å; E439-T442 PolarHBondContact O-OG1 3.08Å; N440-T442 VanDerWaalsContact C-N 3.28Å; N440-T442 PolarHBondContact O-N 3.17Å; T442-R445 PolarHBondContact O-N 2.63Å; T442-K446 PolarHBondContact O-N 3.31Å
443C87.5Confident84.7Confident66 Ų6671.6 Ų71.645%0.44636%0.364SS..Hα-helixtrans-67.2-49.5177.4-169.20000111.3E439 N440 R445 K446 E447E439-C443 PolarHBondContact O-N 2.68Å; N440-C443 PolarHBondContact O-N 3.27Å; C443-R445 PolarHBondContact O-N 3.18Å; C443-K446 PolarHBondContact O-N 3.31Å; C443-K446 VanDerWaalsContact O-N 3.11Å; C443-E447 PolarHBondContact O-N 2.7Å
444V84.8Confident84.5Confident17 Ų1772.5 Ų72.510%0.10337%0.366CS..Hα-helixtrans-59.7-34.7177.9174.70000111.4N440 K446 E447 L448 H728 T731 F732 L735N440-V444 WeakPolarHBondContact O-CG2 3.26Å; N440-V444 PolarHBondContact O-N 2.94Å; V444-K446 PolarHBondContact O-N 3.19Å; V444-E447 PolarHBondContact O-N 3.44Å; V444-L448 PolarHBondContact O-N 2.78Å; V444-H728 HydrophobicContact CG1-CB 4.13Å; V444-H728 WeakPolarHBondContact CG1-O 3.34Å; V444-T731 WeakPolarHBondContact CG1-OG1 3.41Å; V444-F732 HydrophobicContact CG1-CB 3.99Å; V444-F732 HydrophobicContact CG1-CD2 4.42Å; V444-L735 HydrophobicContact CG2-CD1 4.27Å
445R81.2Confident84.3Confident101 Ų10171.7 Ų71.738%0.38136%0.362SS..Hα-helixtrans-60.7-44.2175.8-166.7178.3-159.8-128.34.6112.5M441 T442 C443 L448 E449 F732M441-R445 PolarHBondContact O-N 2.87Å; T442-R445 PolarHBondContact O-N 2.63Å; C443-R445 PolarHBondContact O-N 3.18Å; R445-L448 VanDerWaalsContact O-CB 3.31Å; R445-L448 WeakPolarHBondContact O-CB 3.32Å; R445-L448 PolarHBondContact O-N 2.7Å; R445-E449 PolarHBondContact O-N 2.88Å; R445-E449 VanDerWaalsContact O-N 3.17Å; R445-F732 HydrophobicContact CB-CE2 4.16Å
446K85.2Confident83.8Confident143 Ų14369.4 Ų69.462%0.62235%0.348SS*.Hα-helixtrans-65.5-37.7177.4-69.9179.6178.4177.50112.3T442 C443 V444 L448 E449 T450T442-K446 PolarHBondContact O-N 3.31Å; C443-K446 PolarHBondContact O-N 3.31Å; C443-K446 VanDerWaalsContact O-N 3.11Å; V444-K446 PolarHBondContact O-N 3.19Å; K446-L448 VanDerWaalsContact C-N 3.28Å; K446-L448 PolarHBondContact O-N 3.43Å; K446-E449 PolarHBondContact O-N 3.35Å; K446-T450 WeakPolarHBondContact O-CG2 3.44Å; K446-T450 PolarHBondContact O-N 2.79Å; K446-T450 VanDerWaalsContact O-N 3.15Å
447E86.6Confident83.7Confident79 Ų7974.2 Ų74.237%0.36936%0.357SS..Hα-helixtrans-65-34.2174.3-65.7178.1159.200112C443 V444 T450 V451 H728C443-E447 PolarHBondContact O-N 2.7Å; V444-E447 PolarHBondContact O-N 3.44Å; E447-T450 PolarHBondContact O-OG1 3.43Å; E447-V451 VanDerWaalsContact O-CG2 3.28Å; E447-V451 WeakPolarHBondContact O-CG2 3.49Å; E447-V451 PolarHBondContact O-N 3.32Å; E447-H728 IonicContact OE2-CE1 2.74Å; E447-H728 PolarHBondContact OE2-CE1 3.33Å; E447-H728 IonicContact OE2-ND1 3.2Å; E447-H728 PolarHBondContact OE2-ND1 3.3Å
448L83Confident83.7Confident36 Ų3675.3 Ų75.319%0.18836%0.362CS..Hα-helixtrans-64.3-43.7175.2-139113.8000111.7V444 R445 K446 S452 H728 E729V444-L448 PolarHBondContact O-N 2.78Å; R445-L448 VanDerWaalsContact O-CB 3.31Å; R445-L448 WeakPolarHBondContact O-CB 3.32Å; R445-L448 PolarHBondContact O-N 2.7Å; K446-L448 VanDerWaalsContact C-N 3.28Å; K446-L448 PolarHBondContact O-N 3.43Å; L448-S452 WeakPolarHBondContact O-CB 3.24Å; L448-S452 PolarHBondContact O-N 3.11Å; L448-S452 VanDerWaalsContact O-N 3.1Å; L448-H728 HydrophobicContact CD1-CB 3.69Å; L448-E729 HydrophobicContact CD1-CB 4.38Å; L448-E729 HydrophobicContact CD1-CG 3.71Å; L448-E729 HydrophobicContact CD2-CG 4.2Å; L448-E729 HydrophobicContact CG-CG 4.38Å
449E79.5Confident83.5Confident98 Ų9876.9 Ų76.946%0.45837%0.365SS..Hα-helixtrans-61.2-48.2177.8-72.3169.3-170.400111R445 K446 V451 S452 E453R445-E449 PolarHBondContact O-N 2.88Å; R445-E449 VanDerWaalsContact O-N 3.17Å; K446-E449 PolarHBondContact O-N 3.35Å; E449-V451 PolarHBondContact O-N 3.31Å; E449-S452 PolarHBondContact O-N 3.28Å; E449-S452 PolarHBondContact O-OG 3.13Å; E449-E453 PolarHBondContact O-N 2.76Å; E449-E453 VanDerWaalsContact O-N 3.12Å
450T86.7Confident83.3Confident75 Ų7577.4 Ų77.446%0.4636%0.361SS..Hα-helixtrans-64.7-41.5-178.856.90000113.3K446 E447 S452 E453 E454K446-T450 WeakPolarHBondContact O-CG2 3.44Å; K446-T450 PolarHBondContact O-N 2.79Å; K446-T450 VanDerWaalsContact O-N 3.15Å; E447-T450 PolarHBondContact O-OG1 3.43Å; T450-S452 VanDerWaalsContact C-N 3.28Å; T450-S452 PolarHBondContact O-N 2.88Å; T450-E453 PolarHBondContact O-N 2.97Å; T450-E454 PolarHBondContact O-N 3.11Å; T450-E454 VanDerWaalsContact O-N 3.16Å
451V85.5Confident83.3Confident10 Ų1077 Ų776%0.06136%0.357CS..Hα-helixtrans-65.7-34.9177.31750000111E447 E449 Q455 K721 V724 R725E447-V451 VanDerWaalsContact O-CG2 3.28Å; E447-V451 WeakPolarHBondContact O-CG2 3.49Å; E447-V451 PolarHBondContact O-N 3.32Å; E449-V451 PolarHBondContact O-N 3.31Å; V451-Q455 WeakPolarHBondContact O-CB 3.06Å; V451-Q455 PolarHBondContact O-N 3.2Å; V451-K721 HydrophobicContact CG1-CB 4.36Å; V451-V724 HydrophobicContact CG1-CG1 4.44Å; V451-V724 HydrophobicContact CG2-CG1 3.92Å; V451-R725 HydrophobicContact CG1-CB 3.87Å
452S77.9Confident83.3Confident33 Ų3377.7 Ų77.723%0.23136%0.359CS..Hα-helixtrans-65.8-38.9176.278.70000112.5L448 E449 T450 Q455 R456L448-S452 WeakPolarHBondContact O-CB 3.24Å; L448-S452 PolarHBondContact O-N 3.11Å; L448-S452 VanDerWaalsContact O-N 3.1Å; E449-S452 PolarHBondContact O-N 3.28Å; E449-S452 PolarHBondContact O-OG 3.13Å; T450-S452 VanDerWaalsContact C-N 3.28Å; T450-S452 PolarHBondContact O-N 2.88Å; S452-Q455 PolarHBondContact O-N 3.39Å; S452-R456 WeakPolarHBondContact O-CG 3.45Å; S452-R456 PolarHBondContact O-N 2.95Å; S452-R456 VanDerWaalsContact O-N 3.09Å
453E81.9Confident82.9Confident129 Ų12977.5 Ų77.560%0.60336%0.355SS*.Hα-helixtrans-66.1-43.5176.1-71.3-178.6167.900112.4E449 T450 Q455 R456 R457E449-E453 PolarHBondContact O-N 2.76Å; E449-E453 VanDerWaalsContact O-N 3.12Å; T450-E453 PolarHBondContact O-N 2.97Å; E453-Q455 VanDerWaalsContact C-N 3.29Å; E453-Q455 PolarHBondContact O-N 3.04Å; E453-R456 WeakPolarHBondContact O-CB 2.93Å; E453-R456 PolarHBondContact O-N 3.47Å; E453-R457 PolarHBondContact O-N 3.38Å
454E84.6Confident82.7Confident87 Ų8780.6 Ų80.641%0.40736%0.362SS..Hα-helixtrans-62.7-38.6176-70.5179.6135.800111.9T450 R457 L458 K721T450-E454 PolarHBondContact O-N 3.11Å; T450-E454 VanDerWaalsContact O-N 3.16Å; E454-R457 PolarHBondContact O-N 3.35Å; E454-L458 PolarHBondContact O-N 3.06Å; E454-K721 VanDerWaalsContact CD-NZ 3.28Å; E454-K721 IonicContact OE1-NZ 2.85Å; E454-K721 PolarHBondContact OE1-NZ 2.94Å; E454-K721 WeakPolarHBondContact OE2-CE 3.2Å; E454-K721 IonicContact OE2-NZ 2.65Å; E454-K721 PolarHBondContact OE2-NZ 2.88Å
455Q80.8Confident82.8Confident7 Ų780.7 Ų80.73%0.03336%0.362CS..Hα-helixtrans-63.3-41.7176.1-168.6-178.610.600111.5V451 S452 E453 R457 L458 R459 D722V451-Q455 WeakPolarHBondContact O-CB 3.06Å; V451-Q455 PolarHBondContact O-N 3.2Å; S452-Q455 PolarHBondContact O-N 3.39Å; E453-Q455 VanDerWaalsContact C-N 3.29Å; E453-Q455 PolarHBondContact O-N 3.04Å; Q455-R457 VanDerWaalsContact C-N 3.35Å; Q455-R457 PolarHBondContact O-N 3.39Å; Q455-L458 PolarHBondContact O-N 2.81Å; Q455-R459 WeakPolarHBondContact O-CG 3.37Å; Q455-R459 PolarHBondContact O-N 3.4Å; Q455-D722 PolarHBondContact NE2-OD1 2.92Å; Q455-D722 PolarHBondContact NE2-OD2 3.34Å
456R76.8Confident82.7Confident78 Ų7878.7 Ų78.729%0.29436%0.357SS..Hα-helixtrans-60.9-42.9174.9-73.4176.4179.9167.53.3111.9S452 E453 R459 R460 E861S452-R456 WeakPolarHBondContact O-CG 3.45Å; S452-R456 PolarHBondContact O-N 2.95Å; S452-R456 VanDerWaalsContact O-N 3.09Å; E453-R456 WeakPolarHBondContact O-CB 2.93Å; E453-R456 PolarHBondContact O-N 3.47Å; R456-R459 PolarHBondContact O-N 3.19Å; R456-R460 PolarHBondContact O-N 3.05Å; R456-R460 VanDerWaalsContact O-N 3.16Å; R456-E861 IonicContact CZ-OE1 3.17Å; R456-E861 IonicContact NE-OE1 3.31Å; R456-E861 PolarHBondContact NE-OE1 2.89Å; R456-E861 IonicContact NH2-OE1 3.7Å; R456-E861 IonicContact NH2-OE2 2.64Å
457R87.1Confident82.5Confident183 Ų18375.4 Ų75.469%0.69135%0.349SS*.Hα-helixtrans-61-48.2177-179-175.4160.9-161.6-7.2112E453 E454 Q455 R459 R460 E461E453-R457 PolarHBondContact O-N 3.38Å; E454-R457 PolarHBondContact O-N 3.35Å; Q455-R457 VanDerWaalsContact C-N 3.35Å; Q455-R457 PolarHBondContact O-N 3.39Å; R457-R459 VanDerWaalsContact C-N 3.31Å; R457-R459 PolarHBondContact O-N 3.48Å; R457-R460 PolarHBondContact O-N 3.25Å; R457-E461 PolarHBondContact O-N 2.83Å; R457-E461 VanDerWaalsContact O-N 3.08Å
458L86.4Confident82.3Confident26 Ų2675.2 Ų75.214%0.13635%0.35CS..Hα-helixtrans-64.3-34.9179.8-72.9170.3000112.5E454 Q455 E461 K462 I714 D717 V718 K721E454-L458 PolarHBondContact O-N 3.06Å; Q455-L458 PolarHBondContact O-N 2.81Å; L458-E461 PolarHBondContact O-N 3.34Å; L458-K462 WeakPolarHBondContact O-CB 3.37Å; L458-K462 PolarHBondContact O-N 2.64Å; L458-I714 HydrophobicContact CB-CG2 4.41Å; L458-I714 HydrophobicContact CD2-CG2 4.47Å; L458-I714 WeakPolarHBondContact O-CG2 3.32Å; L458-D717 HydrophobicContact CD1-CB 3.95Å; L458-D717 HydrophobicContact CD2-CB 4.35Å; L458-V718 HydrophobicContact CB-CG2 3.7Å; L458-V718 HydrophobicContact CD1-CG2 4.34Å; L458-K721 HydrophobicContact CD1-CG 4.12Å
459R79.7Confident82.4Confident107 Ų10777.2 Ų77.240%0.40436%0.356SS..Hα-helixtrans-63.9-44.6174.7-74.2176.1-175.6-86.2-2.2111.9Q455 R456 R457 E461 K462 D463Q455-R459 WeakPolarHBondContact O-CG 3.37Å; Q455-R459 PolarHBondContact O-N 3.4Å; R456-R459 PolarHBondContact O-N 3.19Å; R457-R459 VanDerWaalsContact C-N 3.31Å; R457-R459 PolarHBondContact O-N 3.48Å; R459-E461 PolarHBondContact O-N 2.82Å; R459-K462 WeakPolarHBondContact O-CB 3.43Å; R459-K462 PolarHBondContact O-N 2.83Å; R459-D463 PolarHBondContact O-N 2.89Å
460R81.1Confident82.4Confident137 Ų13777.2 Ų77.252%0.51736%0.355SS..Hα-helixtrans-60.6-45.7175-68.9179-174.3168.62.5112.2R456 R457 K462 D463 E464R456-R460 PolarHBondContact O-N 3.05Å; R456-R460 VanDerWaalsContact O-N 3.16Å; R457-R460 PolarHBondContact O-N 3.25Å; R460-K462 VanDerWaalsContact C-N 3.3Å; R460-K462 PolarHBondContact O-N 2.98Å; R460-D463 PolarHBondContact O-N 3.04Å; R460-E464 PolarHBondContact O-N 2.88Å
461E85.5Confident82.3Confident71 Ų7176.4 Ų76.433%0.33235%0.35SS..Hα-helixtrans-62.4-38.2177.8-165.4178.2166.100111.7R457 L458 R459 I465 I714R457-E461 PolarHBondContact O-N 2.83Å; R457-E461 VanDerWaalsContact O-N 3.08Å; L458-E461 PolarHBondContact O-N 3.34Å; R459-E461 PolarHBondContact O-N 2.82Å; E461-I465 WeakPolarHBondContact O-CG1 3.4Å; E461-I465 PolarHBondContact O-N 3.24Å; E461-I465 VanDerWaalsContact O-N 3.13Å; E461-I714 HydrophobicContact CB-CD1 4.17Å; E461-I714 HydrophobicContact CG-CD1 3.73Å
462K84Confident82.3Confident65 Ų6576 Ų7628%0.28335%0.348SS..Hα-helixtrans-59.7-46.9173.5-173.8-160.2164.6-158.10111.4L458 R459 R460 I465 Q466 I714L458-K462 WeakPolarHBondContact O-CB 3.37Å; L458-K462 PolarHBondContact O-N 2.64Å; R459-K462 WeakPolarHBondContact O-CB 3.43Å; R459-K462 PolarHBondContact O-N 2.83Å; R460-K462 VanDerWaalsContact C-N 3.3Å; R460-K462 PolarHBondContact O-N 2.98Å; K462-I465 PolarHBondContact O-N 2.65Å; K462-Q466 VanDerWaalsContact O-CB 3.26Å; K462-Q466 WeakPolarHBondContact O-CB 3.45Å; K462-Q466 PolarHBondContact O-N 3.48Å; K462-I714 HydrophobicContact CB-CG2 3.77Å; K462-I714 HydrophobicContact CG-CG2 4.39Å
463D75.2Confident82.5Confident80 Ų8079.1 Ų79.143%0.42836%0.355SS..Hα-helixtrans-67.4-39-175.5-66.8-23.3000111.1R459 R460 Q466 T467R459-D463 PolarHBondContact O-N 2.89Å; R460-D463 PolarHBondContact O-N 3.04Å; D463-Q466 PolarHBondContact O-N 3.02Å; D463-T467 PolarHBondContact O-N 3.48Å; D463-T467 VanDerWaalsContact O-N 3.08Å
464E83.1Confident82.2Confident131 Ų13177.9 Ų77.961%0.61235%0.345SS*.Hα-helixtrans-57.4-53.3171.5-71.8176.9179.900111.7R460 Q466 T467 D468R460-E464 PolarHBondContact O-N 2.88Å; E464-Q466 PolarHBondContact O-N 3.27Å; E464-T467 PolarHBondContact O-N 3.13Å; E464-T467 VanDerWaalsContact O-N 3.11Å; E464-T467 PolarHBondContact O-OG1 3.21Å; E464-D468 PolarHBondContact O-N 2.91Å
465I86Confident82.2Confident19 Ų1976.7 Ų76.710%0.09734%0.34CS..Hα-helixtrans-66.7-28.7-179.8-58.9-177.1000111.6E461 K462 T467 D468 R469 V707 Q710 I711 I714E461-I465 WeakPolarHBondContact O-CG1 3.4Å; E461-I465 PolarHBondContact O-N 3.24Å; E461-I465 VanDerWaalsContact O-N 3.13Å; K462-I465 PolarHBondContact O-N 2.65Å; I465-T467 VanDerWaalsContact C-N 3.33Å; I465-D468 WeakPolarHBondContact O-CB 3.36Å; I465-D468 PolarHBondContact O-N 3.08Å; I465-R469 PolarHBondContact O-N 3.17Å; I465-V707 HydrophobicContact CG2-CG1 3.85Å; I465-Q710 HydrophobicContact CD1-CB 3.92Å; I465-Q710 HydrophobicContact CG2-CB 4.24Å; I465-I711 HydrophobicContact CB-CG1 4.18Å; I465-I711 HydrophobicContact CG2-CD1 4.03Å; I465-I711 HydrophobicContact CG2-CG1 3.51Å; I465-I714 HydrophobicContact CD1-CD1 3.47Å; I465-I714 VanDerWaalsContact CD1-CD1 3.47Å; I465-I714 HydrophobicContact CG1-CD1 4.42Å
466Q80.9Confident82.4Confident59 Ų5979.4 Ų79.428%0.27635%0.352SS..Hα-helixtrans-68.3-33.4175.9-168.9158.1-42.900112.1K462 D463 E464 R469 Q470K462-Q466 VanDerWaalsContact O-CB 3.26Å; K462-Q466 WeakPolarHBondContact O-CB 3.45Å; K462-Q466 PolarHBondContact O-N 3.48Å; D463-Q466 PolarHBondContact O-N 3.02Å; E464-Q466 PolarHBondContact O-N 3.27Å; Q466-R469 PolarHBondContact O-N 2.88Å; Q466-Q470 PolarHBondContact O-N 3.39Å
467T79.4Confident82.6Confident74 Ų7479.4 Ų79.445%0.45436%0.361SS..Hα-helixtrans-65.4-42.8169.265.30000111.6D463 E464 I465 R469 Q470 T471D463-T467 PolarHBondContact O-N 3.48Å; D463-T467 VanDerWaalsContact O-N 3.08Å; E464-T467 PolarHBondContact O-N 3.13Å; E464-T467 VanDerWaalsContact O-N 3.11Å; E464-T467 PolarHBondContact O-OG1 3.21Å; I465-T467 VanDerWaalsContact C-N 3.33Å; T467-R469 VanDerWaalsContact C-N 3.3Å; T467-R469 PolarHBondContact O-N 3.01Å; T467-Q470 WeakPolarHBondContact O-CB 3.44Å; T467-Q470 PolarHBondContact O-N 3.09Å; T467-Q470 VanDerWaalsContact O-N 3.12Å; T467-T471 PolarHBondContact O-N 3.42Å; T467-T471 VanDerWaalsContact O-N 3.13Å
468D84Confident82.5Confident74 Ų7478 Ų7840%0.39636%0.356SS..Hα-helixtrans-60-40.8175-79.9-10.9000111.5E464 I465 Q470 T471 V472E464-D468 PolarHBondContact O-N 2.91Å; I465-D468 WeakPolarHBondContact O-CB 3.36Å; I465-D468 PolarHBondContact O-N 3.08Å; D468-Q470 VanDerWaalsContact C-N 3.32Å; D468-Q470 PolarHBondContact O-N 3.23Å; D468-T471 PolarHBondContact O-N 2.81Å; D468-T471 VanDerWaalsContact O-N 3.13Å; D468-T471 PolarHBondContact O-OG1 3.01Å; D468-V472 WeakPolarHBondContact O-CG2 3.29Å; D468-V472 PolarHBondContact O-N 2.98Å
469R83.5Confident82.5Confident79 Ų7977.1 Ų77.130%0.29835%0.351SS..Hα-helixtrans-57.9-44.2175-168-178.368.4-170.73.6111.8I465 Q466 T467 T471 V472 Y473 V707 D708 I711I465-R469 PolarHBondContact O-N 3.17Å; Q466-R469 PolarHBondContact O-N 2.88Å; T467-R469 VanDerWaalsContact C-N 3.3Å; T467-R469 PolarHBondContact O-N 3.01Å; R469-T471 VanDerWaalsContact C-N 3.3Å; R469-T471 PolarHBondContact O-N 3.23Å; R469-V472 PolarHBondContact O-N 2.78Å; R469-Y473 HydrophobicContact CG-CD2 3.85Å; R469-Y473 HydrophobicContact CG-CE2 3.79Å; R469-Y473 VanDerWaalsContact O-CD2 3.29Å; R469-Y473 WeakPolarHBondContact O-CD2 3.46Å; R469-Y473 PolarHBondContact O-N 3.17Å; R469-Y473 VanDerWaalsContact O-N 3.09Å; R469-V707 HydrophobicContact CB-CG1 3.68Å; R469-V707 HydrophobicContact CG-CG1 4.16Å; R469-D708 WeakPolarHBondContact CD-OD1 3.3Å; R469-I711 HydrophobicContact CB-CD1 3.93Å; R469-I711 HydrophobicContact CG-CD1 4.3Å
470Q79.5Confident82.7Confident97 Ų9774.5 Ų74.545%0.45335%0.352SS..Hα-helixtrans-62.1-39.1177.5-70.7179.7-9.100111.8Q466 T467 D468 Y473 R474Q466-Q470 PolarHBondContact O-N 3.39Å; T467-Q470 WeakPolarHBondContact O-CB 3.44Å; T467-Q470 PolarHBondContact O-N 3.09Å; T467-Q470 VanDerWaalsContact O-N 3.12Å; D468-Q470 VanDerWaalsContact C-N 3.32Å; D468-Q470 PolarHBondContact O-N 3.23Å; Q470-Y473 PolarHBondContact O-N 3.01Å; Q470-R474 WeakPolarHBondContact O-CG 3.46Å; Q470-R474 PolarHBondContact O-N 3.35Å; Q470-R474 VanDerWaalsContact O-N 3.08Å
471T85.2Confident82.8Confident58 Ų5873 Ų7336%0.35635%0.351SS..Hα-helixtrans-63.2-44.6176.3680000112.3T467 D468 R469 Y473 R474 E475T467-T471 PolarHBondContact O-N 3.42Å; T467-T471 VanDerWaalsContact O-N 3.13Å; D468-T471 PolarHBondContact O-N 2.81Å; D468-T471 VanDerWaalsContact O-N 3.13Å; D468-T471 PolarHBondContact O-OG1 3.01Å; R469-T471 VanDerWaalsContact C-N 3.3Å; R469-T471 PolarHBondContact O-N 3.23Å; T471-Y473 VanDerWaalsContact C-N 3.33Å; T471-Y473 PolarHBondContact O-N 2.8Å; T471-R474 PolarHBondContact O-N 3.42Å; T471-E475 PolarHBondContact O-N 3.38Å
472V85.9Confident82.9Confident1 Ų174.1 Ų74.11%0.00636%0.356CS..Hα-helixtrans-63.8-39.9-179.5170.80000111.5D468 R469 E475 E476 N700 R703 K704 V707D468-V472 WeakPolarHBondContact O-CG2 3.29Å; D468-V472 PolarHBondContact O-N 2.98Å; R469-V472 PolarHBondContact O-N 2.78Å; V472-E475 PolarHBondContact O-N 3.46Å; V472-E476 PolarHBondContact O-N 2.83Å; V472-N700 PolarHBondContact O-ND2 2.98Å; V472-R703 HydrophobicContact CG2-CG 4.05Å; V472-K704 HydrophobicContact CG1-CB 3.73Å; V472-K704 HydrophobicContact CG1-CG 4.4Å; V472-V707 HydrophobicContact CG2-CG2 4.41Å
473Y80.8Confident83Confident99 Ų9971.2 Ų71.239%0.38834%0.343SS..Hα-helixtrans-66.6-38.9176.2-91.4-103.9000112.5R469 Q470 T471 E475 E476 T477 K704R469-Y473 HydrophobicContact CG-CD2 3.85Å; R469-Y473 HydrophobicContact CG-CE2 3.79Å; R469-Y473 VanDerWaalsContact O-CD2 3.29Å; R469-Y473 WeakPolarHBondContact O-CD2 3.46Å; R469-Y473 PolarHBondContact O-N 3.17Å; R469-Y473 VanDerWaalsContact O-N 3.09Å; Q470-Y473 PolarHBondContact O-N 3.01Å; T471-Y473 VanDerWaalsContact C-N 3.33Å; T471-Y473 PolarHBondContact O-N 2.8Å; Y473-E475 VanDerWaalsContact C-N 3.32Å; Y473-E475 PolarHBondContact O-N 3.12Å; Y473-E476 PolarHBondContact O-N 3.23Å; Y473-T477 PolarHBondContact O-N 3.49Å; Y473-T477 VanDerWaalsContact O-N 3.12Å; Y473-T477 PolarHBondContact O-OG1 3.23Å; Y473-K704 HydrophobicContact CE2-CD 4.21Å; Y473-K704 HydrophobicContact CE2-CG 4.16Å; Y473-K704 VanDerWaalsContact OH-CE 3.31Å; Y473-K704 WeakPolarHBondContact OH-CE 3.46Å
474R77.1Confident83.5Confident104 Ų10471.3 Ų71.339%0.39234%0.344SS..Hα-helixtrans-63.4-37.3173.2-72.1177.8-175.5176.22.6112.1Q470 T471 T477 R478Q470-R474 WeakPolarHBondContact O-CG 3.46Å; Q470-R474 PolarHBondContact O-N 3.35Å; Q470-R474 VanDerWaalsContact O-N 3.08Å; T471-R474 PolarHBondContact O-N 3.42Å; R474-T477 PolarHBondContact O-OG1 3.43Å; R474-R478 PolarHBondContact O-N 3.14Å
475E84.7Confident83.7Confident62 Ų6267.7 Ų67.729%0.2933%0.329SS..Hα-helixtrans-67.3-38.1174.4-70.1-17315200111.8T471 V472 Y473 R478 I479 R703T471-E475 PolarHBondContact O-N 3.38Å; V472-E475 PolarHBondContact O-N 3.46Å; Y473-E475 VanDerWaalsContact C-N 3.32Å; Y473-E475 PolarHBondContact O-N 3.12Å; E475-R478 PolarHBondContact O-N 2.7Å; E475-I479 WeakPolarHBondContact O-CB 3.31Å; E475-I479 VanDerWaalsContact O-CD1 3.32Å; E475-I479 WeakPolarHBondContact O-CD1 3.22Å; E475-I479 WeakPolarHBondContact O-CG1 3.39Å; E475-I479 PolarHBondContact O-N 2.72Å; E475-R703 IonicContact OE2-NH1 3.9Å
476E84.5Confident83.7Confident64 Ų6467.7 Ų67.730%0.29933%0.329SS..Hα-helixtrans-64.7-43.2179-171.8179.4-166.900112.3V472 Y473 I479 A480 N700 K704V472-E476 PolarHBondContact O-N 2.83Å; Y473-E476 PolarHBondContact O-N 3.23Å; E476-I479 PolarHBondContact O-N 3.39Å; E476-A480 VanDerWaalsContact O-CB 3.3Å; E476-A480 WeakPolarHBondContact O-CB 3.26Å; E476-A480 PolarHBondContact O-N 2.94Å; E476-N700 PolarHBondContact N-ND2 3.01Å; E476-K704 VanDerWaalsContact CD-NZ 3.28Å; E476-K704 IonicContact OE1-NZ 3.7Å; E476-K704 PolarHBondContact OE1-NZ 3.03Å; E476-K704 VanDerWaalsContact OE1-NZ 3.1Å; E476-K704 WeakPolarHBondContact OE2-CD 3.28Å; E476-K704 WeakPolarHBondContact OE2-CE 3.5Å; E476-K704 IonicContact OE2-NZ 3.93Å; E476-K704 PolarHBondContact OE2-NZ 3.43Å
477T80.4Confident84Confident78 Ų7869.9 Ų69.948%0.47934%0.335SS..Hα-helixtrans-64.8-42.6175.851.70000111.5Y473 R474 A480 H481Y473-T477 PolarHBondContact O-N 3.49Å; Y473-T477 VanDerWaalsContact O-N 3.12Å; Y473-T477 PolarHBondContact O-OG1 3.23Å; R474-T477 PolarHBondContact O-OG1 3.43Å; T477-A480 PolarHBondContact O-N 3.47Å; T477-H481 PolarHBondContact O-N 3.3Å
478R85.6Confident84.3Confident154 Ų15469.9 Ų69.958%0.58133%0.332SS*.Hα-helixtrans-57.9-50.6174.8-171.6-177.270.2-158.5-5.3111.9R474 E475 A480 H481 E482R474-R478 PolarHBondContact O-N 3.14Å; E475-R478 PolarHBondContact O-N 2.7Å; R478-A480 VanDerWaalsContact C-N 3.35Å; R478-A480 PolarHBondContact O-N 2.86Å; R478-H481 PolarHBondContact O-N 3.01Å; R478-E482 WeakPolarHBondContact O-CB 3.35Å; R478-E482 PolarHBondContact O-N 2.67Å
479I86.5Confident84.4Confident7 Ų769.2 Ų69.24%0.03633%0.327CS..Hα-helixtrans-63.2-40.8179.9-67160.1000111.1E475 E476 H481 E482 L483 T693 V696 R697 N700E475-I479 WeakPolarHBondContact O-CB 3.31Å; E475-I479 VanDerWaalsContact O-CD1 3.32Å; E475-I479 WeakPolarHBondContact O-CD1 3.22Å; E475-I479 WeakPolarHBondContact O-CG1 3.39Å; E475-I479 PolarHBondContact O-N 2.72Å; E476-I479 PolarHBondContact O-N 3.39Å; I479-H481 VanDerWaalsContact C-N 3.34Å; I479-H481 PolarHBondContact O-N 3.41Å; I479-E482 PolarHBondContact O-N 3.01Å; I479-L483 HydrophobicContact CG2-CD1 4.2Å; I479-L483 WeakPolarHBondContact O-CB 3.36Å; I479-L483 PolarHBondContact O-N 2.85Å; I479-T693 HydrophobicContact CG2-CG2 4.1Å; I479-V696 HydrophobicContact CD1-CG1 3.82Å; I479-V696 HydrophobicContact CG1-CG1 4.28Å; I479-R697 HydrophobicContact CG2-CB 3.7Å; I479-R697 HydrophobicContact CG2-CG 4.04Å; I479-N700 HydrophobicContact CD1-CB 3.98Å
480A83.5Confident84.7Confident51 Ų5166.9 Ų66.942%0.42132%0.32SS..Hα-helixtrans-64.4-39.7178.500000112.1E476 T477 R478 N484E476-A480 VanDerWaalsContact O-CB 3.3Å; E476-A480 WeakPolarHBondContact O-CB 3.26Å; E476-A480 PolarHBondContact O-N 2.94Å; T477-A480 PolarHBondContact O-N 3.47Å; R478-A480 VanDerWaalsContact C-N 3.35Å; R478-A480 PolarHBondContact O-N 2.86Å; A480-N484 WeakPolarHBondContact O-CB 3.44Å; A480-N484 PolarHBondContact O-N 3.23Å
481H83.4Confident84.9Confident107 Ų10764.8 Ų64.850%0.49532%0.319SS..Hα-helixtrans-68.5-43177.7-144.372.8000111.7T477 R478 I479 N484 N485T477-H481 PolarHBondContact O-N 3.3Å; R478-H481 PolarHBondContact O-N 3.01Å; I479-H481 VanDerWaalsContact C-N 3.34Å; I479-H481 PolarHBondContact O-N 3.41Å; H481-N484 PolarHBondContact O-N 3.08Å; H481-N485 VanDerWaalsContact O-CG 3.28Å; H481-N485 PolarHBondContact O-N 3.25Å; H481-N485 PolarHBondContact O-ND2 3.36Å
482E86.8Confident84.9Confident94 Ų9470.2 Ų70.244%0.43933%0.333SS..Hα-helixtrans-59.2-46.2174.2-173.3170.9-162.600111.9R478 I479 N484 N485 L486 T693R478-E482 WeakPolarHBondContact O-CB 3.35Å; R478-E482 PolarHBondContact O-N 2.67Å; I479-E482 PolarHBondContact O-N 3.01Å; E482-N484 VanDerWaalsContact C-N 3.32Å; E482-N484 PolarHBondContact O-N 2.84Å; E482-N485 PolarHBondContact O-N 2.99Å; E482-L486 HydrophobicContact CG-CD1 4.39Å; E482-L486 WeakPolarHBondContact O-CG 3.44Å; E482-L486 PolarHBondContact O-N 2.95Å; E482-T693 HydrophobicContact CG-CG2 4.3Å
483L87.4Confident84.9Confident3 Ų370.4 Ų70.42%0.01633%0.334CS..Hα-helixtrans-60.7-39.8174.9-84.6170.2000113.1I479 R487 I690 T693 E694 R697I479-L483 HydrophobicContact CG2-CD1 4.2Å; I479-L483 WeakPolarHBondContact O-CB 3.36Å; I479-L483 PolarHBondContact O-N 2.85Å; L483-R487 WeakPolarHBondContact O-CB 3.36Å; L483-R487 VanDerWaalsContact O-CG 3.23Å; L483-R487 WeakPolarHBondContact O-CG 3.29Å; L483-R487 PolarHBondContact O-N 3.19Å; L483-I690 HydrophobicContact CD2-CG2 4.29Å; L483-T693 HydrophobicContact CD1-CG2 4.39Å; L483-T693 HydrophobicContact CD2-CG2 3.88Å; L483-T693 HydrophobicContact CG-CG2 3.65Å; L483-E694 HydrophobicContact CD1-CG 4.29Å; L483-E694 HydrophobicContact CD2-CG 3.66Å; L483-R697 HydrophobicContact CD1-CB 4.2Å; L483-R697 HydrophobicContact CD1-CG 4.39Å
484N86.2Confident85.1Confident82 Ų8268.3 Ų68.344%0.43933%0.328SS..Hα-helixtrans-66.6-41.7179.4-157.832.5000110.8A480 H481 E482 R487 D488A480-N484 WeakPolarHBondContact O-CB 3.44Å; A480-N484 PolarHBondContact O-N 3.23Å; H481-N484 PolarHBondContact O-N 3.08Å; E482-N484 VanDerWaalsContact C-N 3.32Å; E482-N484 PolarHBondContact O-N 2.84Å; N484-R487 PolarHBondContact O-N 3.37Å; N484-D488 WeakPolarHBondContact O-CB 3.14Å; N484-D488 PolarHBondContact O-N 3.2Å
485N85.4Confident85.4Confident55 Ų5569.4 Ų69.429%0.29434%0.338SS..Hα-helixtrans-62.6-46176.7-70.1-17.6000112.2H481 E482 R487 D488 E489H481-N485 VanDerWaalsContact O-CG 3.28Å; H481-N485 PolarHBondContact O-N 3.25Å; H481-N485 PolarHBondContact O-ND2 3.36Å; E482-N485 PolarHBondContact O-N 2.99Å; N485-R487 VanDerWaalsContact C-N 3.34Å; N485-R487 PolarHBondContact O-N 3.46Å; N485-D488 PolarHBondContact O-N 3.4Å; N485-E489 PolarHBondContact O-N 2.64Å
486L87.3Confident85.4Confident19 Ų1970 Ų7010%0.09934%0.343CS..Hα-helixtrans-63.7-39.2177-70.7170.8000111.8E482 E489 L490 T686 E689 I690E482-L486 HydrophobicContact CG-CD1 4.39Å; E482-L486 WeakPolarHBondContact O-CG 3.44Å; E482-L486 PolarHBondContact O-N 2.95Å; L486-E489 PolarHBondContact O-N 2.88Å; L486-L490 WeakPolarHBondContact O-CB 3.32Å; L486-L490 PolarHBondContact O-N 3.25Å; L486-T686 HydrophobicContact CB-CG2 4.4Å; L486-T686 HydrophobicContact CD2-CG2 4.25Å; L486-T686 WeakPolarHBondContact O-CG2 3.21Å; L486-E689 HydrophobicContact CD1-CB 4.16Å; L486-E689 HydrophobicContact CD2-CB 4.22Å; L486-I690 HydrophobicContact CB-CD1 4.17Å; L486-I690 HydrophobicContact CB-CG1 3.55Å; L486-I690 HydrophobicContact CD1-CG1 4.28Å
487R87.7Confident85.4Confident105 Ų10568 Ų6840%0.39633%0.334SS..Hα-helixtrans-66.1-39175.6-76173.1178.5166.60.1112.5L483 N484 N485 L490 A491 I690 E694L483-R487 WeakPolarHBondContact O-CB 3.36Å; L483-R487 VanDerWaalsContact O-CG 3.23Å; L483-R487 WeakPolarHBondContact O-CG 3.29Å; L483-R487 PolarHBondContact O-N 3.19Å; N484-R487 PolarHBondContact O-N 3.37Å; N485-R487 VanDerWaalsContact C-N 3.34Å; N485-R487 PolarHBondContact O-N 3.46Å; R487-L490 PolarHBondContact O-N 3.13Å; R487-A491 WeakPolarHBondContact O-CB 3.45Å; R487-A491 PolarHBondContact O-N 3.44Å; R487-I690 HydrophobicContact CG-CD1 4.19Å; R487-E694 IonicContact CZ-OE1 3.88Å; R487-E694 IonicContact NE-OE1 3.21Å; R487-E694 IonicContact NH2-OE1 3.69Å; R487-E694 PolarHBondContact NH2-OE1 3.48Å
488D85.4Confident85.6Confident74 Ų7468.8 Ų68.840%0.39633%0.328SS..Hα-helixtrans-66.2-40.2174-83.3-8.2000111.6N484 N485 A491 R492N484-D488 WeakPolarHBondContact O-CB 3.14Å; N484-D488 PolarHBondContact O-N 3.2Å; N485-D488 PolarHBondContact O-N 3.4Å; D488-A491 PolarHBondContact O-N 3.25Å; D488-R492 WeakPolarHBondContact O-CB 3.26Å; D488-R492 VanDerWaalsContact O-CG 3.22Å; D488-R492 WeakPolarHBondContact O-CG 3.37Å; D488-R492 PolarHBondContact O-N 3.21Å
489E85.5Confident85.6Confident61 Ų6165.2 Ų65.229%0.28533%0.327SS..Hα-helixtrans-63.3-44.4173.2-177171-173.800111.7N485 L486 R492 T493 R682 T686N485-E489 PolarHBondContact O-N 2.64Å; L486-E489 PolarHBondContact O-N 2.88Å; E489-R492 PolarHBondContact O-N 3.03Å; E489-T493 HydrophobicContact CG-CG2 4.34Å; E489-T493 WeakPolarHBondContact O-CG2 3.45Å; E489-T493 PolarHBondContact O-N 3.4Å; E489-T493 PolarHBondContact O-OG1 2.83Å; E489-R682 IonicContact OE1-CZ 3.46Å; E489-R682 IonicContact OE1-NE 3.78Å; E489-R682 PolarHBondContact OE1-NE 3.13Å; E489-R682 IonicContact OE1-NH2 3.99Å; E489-R682 PolarHBondContact OE1-NH2 3.37Å; E489-T686 HydrophobicContact CB-CG2 4.44Å; E489-T686 HydrophobicContact CG-CG2 4.49Å
490L88.9Confident85.5Confident29 Ų2966.6 Ų66.615%0.15233%0.334CS..Hα-helixtrans-59.4-48.3175-177.264.8000110.7L486 R487 R492 T493 E494 K683 T686 E687 I690L486-L490 WeakPolarHBondContact O-CB 3.32Å; L486-L490 PolarHBondContact O-N 3.25Å; R487-L490 PolarHBondContact O-N 3.13Å; L490-R492 VanDerWaalsContact C-N 3.31Å; L490-R492 PolarHBondContact O-N 3.12Å; L490-T493 WeakPolarHBondContact CA-OG1 3.42Å; L490-T493 PolarHBondContact O-N 2.78Å; L490-T493 PolarHBondContact O-OG1 3.47Å; L490-E494 HydrophobicContact CD1-CG 4.25Å; L490-E494 HydrophobicContact CG-CG 4.4Å; L490-E494 WeakPolarHBondContact O-CB 3.17Å; L490-E494 VanDerWaalsContact O-CG 3.31Å; L490-E494 WeakPolarHBondContact O-CG 3.48Å; L490-E494 PolarHBondContact O-N 3.23Å; L490-K683 HydrophobicContact CD1-CG 3.65Å; L490-T686 HydrophobicContact CB-CG2 4Å; L490-E687 HydrophobicContact CD1-CG 3.68Å; L490-E687 HydrophobicContact CD2-CG 4.07Å; L490-I690 HydrophobicContact CB-CD1 4.01Å; L490-I690 HydrophobicContact CD2-CD1 3.71Å; L490-I690 HydrophobicContact CG-CD1 4.43Å
491A85.5Confident85.4Confident54 Ų5464.6 Ų64.645%0.44632%0.317SS..Hα-helixtrans-60.7-39.4178.700000112.3R487 D488 H495R487-A491 WeakPolarHBondContact O-CB 3.45Å; R487-A491 PolarHBondContact O-N 3.44Å; D488-A491 PolarHBondContact O-N 3.25Å; A491-H495 WeakPolarHBondContact O-CB 3.32Å; A491-H495 PolarHBondContact O-N 3.32Å
492R85.4Confident85.3Confident172 Ų17261.5 Ų61.565%0.64931%0.313SS*.Hα-helixtrans-67.9-45.4176.2-72.2172.2-167.4-159.16.7112.2D488 E489 L490 H495 N496D488-R492 WeakPolarHBondContact O-CB 3.26Å; D488-R492 VanDerWaalsContact O-CG 3.22Å; D488-R492 WeakPolarHBondContact O-CG 3.37Å; D488-R492 PolarHBondContact O-N 3.21Å; E489-R492 PolarHBondContact O-N 3.03Å; L490-R492 VanDerWaalsContact C-N 3.31Å; L490-R492 PolarHBondContact O-N 3.12Å; R492-H495 PolarHBondContact O-N 2.84Å; R492-N496 WeakPolarHBondContact O-CB 3.49Å; R492-N496 PolarHBondContact O-N 2.92Å; R492-N496 PolarHBondContact O-ND2 2.87Å
493T84.9Confident85.1Confident5 Ų565.3 Ų65.33%0.03133%0.328CS..Hα-helixtrans-65.5-42.1179530000111.2E489 L490 N496 L497 R682E489-T493 HydrophobicContact CG-CG2 4.34Å; E489-T493 WeakPolarHBondContact O-CG2 3.45Å; E489-T493 PolarHBondContact O-N 3.4Å; E489-T493 PolarHBondContact O-OG1 2.83Å; L490-T493 WeakPolarHBondContact CA-OG1 3.42Å; L490-T493 PolarHBondContact O-N 2.78Å; L490-T493 PolarHBondContact O-OG1 3.47Å; T493-N496 PolarHBondContact O-N 3.42Å; T493-L497 WeakPolarHBondContact O-CB 3.19Å; T493-L497 PolarHBondContact O-N 2.89Å; T493-R682 HydrophobicContact CG2-CG 4Å
494E84.2Confident85Confident54 Ų5466.8 Ų66.825%0.25234%0.344SS..Hα-helixtrans-62.8-43.1172.3-73.8-160.2137.300112.3L490 N496 L497 R498 K683L490-E494 HydrophobicContact CD1-CG 4.25Å; L490-E494 HydrophobicContact CG-CG 4.4Å; L490-E494 WeakPolarHBondContact O-CB 3.17Å; L490-E494 VanDerWaalsContact O-CG 3.31Å; L490-E494 WeakPolarHBondContact O-CG 3.48Å; L490-E494 PolarHBondContact O-N 3.23Å; E494-N496 VanDerWaalsContact C-N 3.34Å; E494-N496 PolarHBondContact O-N 3.18Å; E494-L497 PolarHBondContact O-N 3.24Å; E494-R498 WeakPolarHBondContact O-CB 3.44Å; E494-R498 VanDerWaalsContact O-CG 3.32Å; E494-R498 WeakPolarHBondContact O-CG 3.45Å; E494-R498 PolarHBondContact O-N 3.04Å; E494-K683 HydrophobicContact CG-CD 4.03Å; E494-K683 HydrophobicContact CG-CG 4.28Å; E494-K683 WeakPolarHBondContact OE1-CE 3.2Å; E494-K683 IonicContact OE1-NZ 2.77Å; E494-K683 PolarHBondContact OE1-NZ 3.33Å
495H85.2Confident85Confident128 Ų12864.6 Ų64.659%0.59333%0.332SS*.Hα-helixtrans-61.8-42.7176.6-176.774.1000111.7A491 R492 R498 S499A491-H495 WeakPolarHBondContact O-CB 3.32Å; A491-H495 PolarHBondContact O-N 3.32Å; R492-H495 PolarHBondContact O-N 2.84Å; H495-R498 PolarHBondContact O-N 2.91Å; H495-S499 WeakPolarHBondContact O-CB 3.43Å; H495-S499 PolarHBondContact O-N 3.12Å; H495-S499 PolarHBondContact O-OG 3.03Å
496N84.8Confident85Confident75 Ų7563.4 Ų63.440%0.40133%0.325SS..Hα-helixtrans-65.1-44.8176.2-70.2-18.9000111.7R492 T493 E494 R498 S499 I500 L679R492-N496 WeakPolarHBondContact O-CB 3.49Å; R492-N496 PolarHBondContact O-N 2.92Å; R492-N496 PolarHBondContact O-ND2 2.87Å; T493-N496 PolarHBondContact O-N 3.42Å; E494-N496 VanDerWaalsContact C-N 3.34Å; E494-N496 PolarHBondContact O-N 3.18Å; N496-R498 VanDerWaalsContact C-N 3.3Å; N496-R498 PolarHBondContact O-N 3.18Å; N496-S499 PolarHBondContact O-N 2.81Å; N496-S499 PolarHBondContact O-OG 3.27Å; N496-I500 VanDerWaalsContact O-CD1 3.3Å; N496-I500 WeakPolarHBondContact O-CD1 3.3Å; N496-I500 VanDerWaalsContact O-CG1 3.24Å; N496-I500 WeakPolarHBondContact O-CG1 3.46Å; N496-I500 PolarHBondContact O-N 3.23Å; N496-I500 VanDerWaalsContact O-N 3.16Å; N496-L679 HydrophobicContact CB-CD1 4.15Å; N496-L679 HydrophobicContact CB-CD2 4.22Å
497L84.5Confident85Confident21 Ų2165.8 Ų65.811%0.1134%0.338CS..Hα-helixtrans-62.1-40.8176.3-173.867.4000111.1T493 E494 T501 R676 L679T493-L497 WeakPolarHBondContact O-CB 3.19Å; T493-L497 PolarHBondContact O-N 2.89Å; E494-L497 PolarHBondContact O-N 3.24Å; L497-T501 WeakPolarHBondContact O-CB 3.42Å; L497-T501 PolarHBondContact O-N 3.34Å; L497-T501 PolarHBondContact O-OG1 2.92Å; L497-R676 HydrophobicContact CD1-CB 4.25Å; L497-L679 HydrophobicContact CB-CB 4.42Å; L497-L679 HydrophobicContact CD1-CB 4.05Å
498R84.5Confident85Confident94 Ų9460.8 Ų60.836%0.35532%0.319SS..Hα-helixtrans-65.1-45.9174.6-74.7-178.2174.7-106.4-5.1111.3E494 H495 N496 I500 T501 L506 D510E494-R498 WeakPolarHBondContact O-CB 3.44Å; E494-R498 VanDerWaalsContact O-CG 3.32Å; E494-R498 WeakPolarHBondContact O-CG 3.45Å; E494-R498 PolarHBondContact O-N 3.04Å; H495-R498 PolarHBondContact O-N 2.91Å; N496-R498 VanDerWaalsContact C-N 3.3Å; N496-R498 PolarHBondContact O-N 3.18Å; R498-I500 VanDerWaalsContact C-N 3.26Å; R498-I500 PolarHBondContact O-N 3.17Å; R498-T501 PolarHBondContact O-N 3.49Å; R498-T501 VanDerWaalsContact O-N 3.07Å; R498-L506 HydrophobicContact CB-CD1 4.31Å; R498-L506 HydrophobicContact CB-CD2 4.16Å; R498-L506 HydrophobicContact CG-CD2 3.91Å; R498-L506 WeakPolarHBondContact O-CD1 3.49Å; R498-D510 IonicContact CZ-OD1 3.91Å; R498-D510 IonicContact CZ-OD2 2.94Å; R498-D510 IonicContact NH1-OD1 2.7Å; R498-D510 IonicContact NH1-OD2 3.95Å; R498-D510 PolarHBondContact NH1-OD2 3.07Å; R498-D510 IonicContact NH2-OD1 3.91Å; R498-D510 PolarHBondContact NH2-OD1 2.66Å; R498-D510 IonicContact NH2-OD2 3.94Å
499S84Confident85.1Confident80 Ų8059 Ų5956%0.55931%0.309SS*.Hα-helixtrans-63.1-31.1-176.773.40000113.3H495 N496H495-S499 WeakPolarHBondContact O-CB 3.43Å; H495-S499 PolarHBondContact O-N 3.12Å; H495-S499 PolarHBondContact O-OG 3.03Å; N496-S499 PolarHBondContact O-N 2.81Å; N496-S499 PolarHBondContact O-OG 3.27Å
500I84.3Confident85.2Confident36 Ų3658.8 Ų58.819%0.18531%0.311CS..Hα-helixtrans-79.8-23.6177.4-62.2162.3000112.1N496 R498 L674 R676 L679N496-I500 VanDerWaalsContact O-CD1 3.3Å; N496-I500 WeakPolarHBondContact O-CD1 3.3Å; N496-I500 VanDerWaalsContact O-CG1 3.24Å; N496-I500 WeakPolarHBondContact O-CG1 3.46Å; N496-I500 PolarHBondContact O-N 3.23Å; N496-I500 VanDerWaalsContact O-N 3.16Å; R498-I500 VanDerWaalsContact C-N 3.26Å; R498-I500 PolarHBondContact O-N 3.17Å; I500-L674 HydrophobicContact CD1-CB 4.08Å; I500-L674 HydrophobicContact CD1-CD2 3.76Å; I500-L674 HydrophobicContact CG1-CB 4.43Å; I500-L674 HydrophobicContact CG1-CD2 3.85Å; I500-L674 HydrophobicContact CG2-CB 4.48Å; I500-R676 HydrophobicContact CG2-CG 4.08Å; I500-L679 HydrophobicContact CD1-CD1 3.4Å; I500-L679 VanDerWaalsContact CD1-CD1 3.4Å
501T81.9Confident85.3Confident9 Ų957.7 Ų57.76%0.05531%0.305CS..SBendtrans-85.6129.9-177.8-55.70000110.2L497 R498 I505 L506 F560L497-T501 WeakPolarHBondContact O-CB 3.42Å; L497-T501 PolarHBondContact O-N 3.34Å; L497-T501 PolarHBondContact O-OG1 2.92Å; R498-T501 PolarHBondContact O-N 3.49Å; R498-T501 VanDerWaalsContact O-N 3.07Å; T501-I505 HydrophobicContact CG2-CB 3.97Å; T501-I505 HydrophobicContact CG2-CG2 3.8Å; T501-L506 HydrophobicContact CG2-CD2 3.83Å; T501-L506 HydrophobicContact CG2-CG 3.84Å; T501-L506 WeakPolarHBondContact O-CD1 3.4Å; T501-F560 HydrophobicContact CG2-CD2 4.48Å; T501-F560 HydrophobicContact CG2-CE1 4.32Å; T501-F560 HydrophobicContact CG2-CE2 4.04Å; T501-F560 HydrophobicContact CG2-CZ 3.94Å
502G81.2Confident85.5Confident41 Ų4155.1 Ų55.142%0.42328%0.284SS..  trans-59.5140.7-179.100000112.5G504 I505 L506G502-G504 PolarHBondContact O-N 3.35Å; G502-G504 VanDerWaalsContact O-N 3.1Å; G502-I505 PolarHBondContact O-N 3.02Å; G502-L506 PolarHBondContact O-N 2.97Å
503K84Confident85.6Confident175 Ų17552.6 Ų52.676%0.76127%0.274SS*.Hα-helixtrans-51.5-37.5-176.7-68.2-176.3178.2-178.60114N507K503-N507 WeakPolarHBondContact O-CB 3.36Å; K503-N507 PolarHBondContact O-N 2.88Å; K503-N507 PolarHBondContact O-ND2 3.19Å
504G84.8Confident85.8Confident33 Ų3357.5 Ų57.534%0.3430%0.295SS..Hα-helixtrans-64.2-40.317800000113.4G502 G508 G584 E585G502-G504 PolarHBondContact O-N 3.35Å; G502-G504 VanDerWaalsContact O-N 3.1Å; G504-G508 PolarHBondContact O-N 3.38Å; G504-G584 VanDerWaalsContact O-CA 3.29Å; G504-G584 WeakPolarHBondContact O-CA 3.34Å; G504-E585 PolarHBondContact O-N 2.7Å
505I86.7Confident86Confident37 Ų3754.9 Ų54.919%0.1928%0.283CS..Hα-helixtrans-72.3-44.5177.5-61.1175.1000109.9T501 G502 N507 G508 L509 F560T501-I505 HydrophobicContact CG2-CB 3.97Å; T501-I505 HydrophobicContact CG2-CG2 3.8Å; G502-I505 PolarHBondContact O-N 3.02Å; I505-N507 PolarHBondContact O-N 2.97Å; I505-G508 CarbonylContact O-C 3.58Å; I505-G508 WeakPolarHBondContact O-CA 3.46Å; I505-G508 PolarHBondContact O-N 2.65Å; I505-L509 HydrophobicContact CG2-CD1 4.21Å; I505-L509 HydrophobicContact CG2-CG 4.33Å; I505-L509 WeakPolarHBondContact O-CG 3.15Å; I505-L509 PolarHBondContact O-N 2.67Å; I505-F560 HydrophobicContact CD1-CD2 4.27Å; I505-F560 HydrophobicContact CG2-CB 3.64Å; I505-F560 HydrophobicContact CG2-CD2 3.86Å; I505-F560 HydrophobicContact CG2-CG 3.76Å
506L85.3Confident86.1Confident29 Ų2949.2 Ų49.215%0.15226%0.257CS..Hα-helixtrans-56.2-50.1177.4-78.1179.4000112.9R498 T501 G502 G508 L509 D510R498-L506 HydrophobicContact CB-CD1 4.31Å; R498-L506 HydrophobicContact CB-CD2 4.16Å; R498-L506 HydrophobicContact CG-CD2 3.91Å; R498-L506 WeakPolarHBondContact O-CD1 3.49Å; T501-L506 HydrophobicContact CG2-CD2 3.83Å; T501-L506 HydrophobicContact CG2-CG 3.84Å; T501-L506 WeakPolarHBondContact O-CD1 3.4Å; G502-L506 PolarHBondContact O-N 2.97Å; L506-G508 PolarHBondContact O-N 3.08Å; L506-L509 PolarHBondContact O-N 2.92Å; L506-L509 VanDerWaalsContact O-N 3.17Å; L506-D510 PolarHBondContact O-N 3.43Å
507N87Confident86.2Confident69 Ų6949.9 Ų49.937%0.36926%0.258SS..Hα-helixtrans-60.5-35.8177.4-68.5-10000110.9K503 I505 S511 P583K503-N507 WeakPolarHBondContact O-CB 3.36Å; K503-N507 PolarHBondContact O-N 2.88Å; K503-N507 PolarHBondContact O-ND2 3.19Å; I505-N507 PolarHBondContact O-N 2.97Å; N507-S511 VanDerWaalsContact O-CB 3.3Å; N507-S511 WeakPolarHBondContact O-CB 3.26Å; N507-S511 PolarHBondContact O-N 2.87Å; N507-S511 PolarHBondContact O-OG 2.77Å; N507-P583 CarbonylContact C-O 3.5Å; N507-P583 HydrophobicContact CB-CB 4.3Å; N507-P583 HydrophobicContact CB-CG 4.24Å; N507-P583 WeakPolarHBondContact CB-O 3.3Å
508G87.7Confident86.4Confident0 Ų050.2 Ų50.20%026%0.259CS..Hα-helixtrans-63.9-46.8174.200000112.7G504 I505 L506 S511 V512 V586G504-G508 PolarHBondContact O-N 3.38Å; I505-G508 CarbonylContact O-C 3.58Å; I505-G508 WeakPolarHBondContact O-CA 3.46Å; I505-G508 PolarHBondContact O-N 2.65Å; L506-G508 PolarHBondContact O-N 3.08Å; G508-S511 WeakPolarHBondContact O-CB 3.38Å; G508-S511 PolarHBondContact O-N 3.5Å; G508-V512 WeakPolarHBondContact O-CG2 3.32Å; G508-V512 PolarHBondContact O-N 2.81Å; G508-V586 WeakPolarHBondContact O-CG1 3.42Å
509L87.2Confident86.5Confident36 Ų3646.6 Ų46.619%0.18825%0.246CC..Hα-helixtrans-59.4-47.6176.5-69.2172.3000111.6I505 L506 S511 V512 R513 T536 F560I505-L509 HydrophobicContact CG2-CD1 4.21Å; I505-L509 HydrophobicContact CG2-CG 4.33Å; I505-L509 WeakPolarHBondContact O-CG 3.15Å; I505-L509 PolarHBondContact O-N 2.67Å; L506-L509 PolarHBondContact O-N 2.92Å; L506-L509 VanDerWaalsContact O-N 3.17Å; L509-S511 VanDerWaalsContact C-N 3.29Å; L509-S511 PolarHBondContact O-N 3.28Å; L509-V512 PolarHBondContact O-N 3.04Å; L509-R513 WeakPolarHBondContact O-CB 3.43Å; L509-R513 PolarHBondContact O-N 3.13Å; L509-T536 HydrophobicContact CD2-CG2 3.62Å; L509-F560 HydrophobicContact CD1-CD1 4.01Å; L509-F560 HydrophobicContact CD2-CB 4.42Å
510D88Confident86.7Confident58 Ų5848.7 Ų48.731%0.3124%0.242SC..Hα-helixtrans-64.5-35.5178.1-73.2-26.1000110.8R498 L506 R513 K514R498-D510 IonicContact CZ-OD1 3.91Å; R498-D510 IonicContact CZ-OD2 2.94Å; R498-D510 IonicContact NH1-OD1 2.7Å; R498-D510 IonicContact NH1-OD2 3.95Å; R498-D510 PolarHBondContact NH1-OD2 3.07Å; R498-D510 IonicContact NH2-OD1 3.91Å; R498-D510 PolarHBondContact NH2-OD1 2.66Å; R498-D510 IonicContact NH2-OD2 3.94Å; L506-D510 PolarHBondContact O-N 3.43Å; D510-R513 PolarHBondContact O-N 3.39Å; D510-K514 WeakPolarHBondContact O-CB 3.48Å; D510-K514 PolarHBondContact O-N 3.21Å
511S89.5Confident86.8Confident5 Ų553.5 Ų53.54%0.03527%0.268CS..Hα-helixtrans-65.5-44.5175.5-64.40000112.9N507 G508 L509 K514 V515 L582 P583N507-S511 VanDerWaalsContact O-CB 3.3Å; N507-S511 WeakPolarHBondContact O-CB 3.26Å; N507-S511 PolarHBondContact O-N 2.87Å; N507-S511 PolarHBondContact O-OG 2.77Å; G508-S511 WeakPolarHBondContact O-CB 3.38Å; G508-S511 PolarHBondContact O-N 3.5Å; L509-S511 VanDerWaalsContact C-N 3.29Å; L509-S511 PolarHBondContact O-N 3.28Å; S511-K514 PolarHBondContact O-N 2.95Å; S511-V515 WeakPolarHBondContact O-CG2 3.37Å; S511-V515 PolarHBondContact O-N 3.38Å; S511-L582 VanDerWaalsContact OG-CB 3.32Å; S511-L582 WeakPolarHBondContact OG-CB 3.47Å; S511-P583 PolarHBondContact OG-O 3.43Å
512V89.7Confident86.9Confident0 Ų059.2 Ų59.20%029%0.289CS..Hα-helixtrans-65.5-43.7176.5176.70000110.5G508 L509 K514 V515 V516 Y533 M573 I577 V586 F588G508-V512 WeakPolarHBondContact O-CG2 3.32Å; G508-V512 PolarHBondContact O-N 2.81Å; L509-V512 PolarHBondContact O-N 3.04Å; V512-K514 VanDerWaalsContact C-N 3.35Å; V512-K514 PolarHBondContact O-N 3.24Å; V512-V515 PolarHBondContact O-N 3.22Å; V512-V516 HydrophobicContact CG1-CG2 4.32Å; V512-V516 WeakPolarHBondContact O-CG2 3.23Å; V512-V516 PolarHBondContact O-N 2.87Å; V512-Y533 HydrophobicContact CG1-CD2 4.4Å; V512-Y533 HydrophobicContact CG1-CE2 3.6Å; V512-M573 HydrophobicContact CG1-CE 3.88Å; V512-I577 HydrophobicContact CG2-CD1 4.19Å; V512-V586 HydrophobicContact CG2-CB 4.16Å; V512-V586 HydrophobicContact CG2-CG1 3.56Å; V512-F588 HydrophobicContact CG1-CE1 4.29Å; V512-F588 HydrophobicContact CG2-CE1 4.14Å; V512-F588 HydrophobicContact CG2-CZ 3.75Å
513R87.9Confident87.1Confident120 Ų12064.4 Ų64.445%0.45330%0.297SS..Hα-helixtrans-56.4-49.2176-172.5-178-66.6-162.7-2.7111.1L509 D510 V515 V516 E517L509-R513 WeakPolarHBondContact O-CB 3.43Å; L509-R513 PolarHBondContact O-N 3.13Å; D510-R513 PolarHBondContact O-N 3.39Å; R513-V515 VanDerWaalsContact C-N 3.32Å; R513-V515 PolarHBondContact O-N 3.45Å; R513-V516 PolarHBondContact O-N 3Å; R513-E517 WeakPolarHBondContact O-CG 3.24Å; R513-E517 PolarHBondContact O-N 3.31Å
514K89.1Confident87Confident107 Ų10757.2 Ų57.247%0.46527%0.272SS..Hα-helixtrans-60.3-39.3177.5-172.4174.2-177.2177.50112.6D510 S511 V512 E517 I518 L582D510-K514 WeakPolarHBondContact O-CB 3.48Å; D510-K514 PolarHBondContact O-N 3.21Å; S511-K514 PolarHBondContact O-N 2.95Å; V512-K514 VanDerWaalsContact C-N 3.35Å; V512-K514 PolarHBondContact O-N 3.24Å; K514-E517 PolarHBondContact O-N 3.34Å; K514-I518 HydrophobicContact CG-CD1 4.18Å; K514-I518 WeakPolarHBondContact O-CD1 3.45Å; K514-I518 WeakPolarHBondContact O-CG1 3.4Å; K514-I518 PolarHBondContact O-N 3.39Å; K514-L582 HydrophobicContact CD-CD1 4.38Å; K514-L582 HydrophobicContact CD-CD2 4Å
515V89.1Confident86.7Confident0 Ų059.7 Ų59.70%028%0.282CS..Hα-helixtrans-69-42.2176.91690000111.6S511 V512 R513 E517 I518 F519 M573 E576 I577 L582S511-V515 WeakPolarHBondContact O-CG2 3.37Å; S511-V515 PolarHBondContact O-N 3.38Å; V512-V515 PolarHBondContact O-N 3.22Å; R513-V515 VanDerWaalsContact C-N 3.32Å; R513-V515 PolarHBondContact O-N 3.45Å; V515-E517 VanDerWaalsContact C-N 3.31Å; V515-E517 PolarHBondContact O-N 2.94Å; V515-I518 PolarHBondContact O-N 2.95Å; V515-F519 HydrophobicContact CG1-CD2 3.77Å; V515-F519 HydrophobicContact CG1-CE2 3.68Å; V515-F519 WeakPolarHBondContact O-CD2 3.27Å; V515-F519 PolarHBondContact O-N 3.34Å; V515-M573 HydrophobicContact CG1-CB 4.35Å; V515-M573 HydrophobicContact CG1-CG 4.41Å; V515-E576 HydrophobicContact CG1-CB 4.02Å; V515-E576 HydrophobicContact CG1-CG 4.36Å; V515-E576 HydrophobicContact CG2-CB 4.32Å; V515-E576 HydrophobicContact CG2-CG 4.45Å; V515-I577 HydrophobicContact CG2-CG1 3.69Å; V515-L582 HydrophobicContact CG2-CD1 3.74Å
516V87.6Confident86.4Confident9 Ų963.7 Ų63.76%0.05530%0.304CS..Hα-helixtrans-60.4-42.2174.1174.50000110.8V512 R513 F519 R520 Y533 M573V512-V516 HydrophobicContact CG1-CG2 4.32Å; V512-V516 WeakPolarHBondContact O-CG2 3.23Å; V512-V516 PolarHBondContact O-N 2.87Å; R513-V516 PolarHBondContact O-N 3Å; V516-F519 PolarHBondContact O-N 3.3Å; V516-R520 WeakPolarHBondContact O-CB 3.31Å; V516-R520 PolarHBondContact O-N 3.42Å; V516-Y533 HydrophobicContact CG2-CD1 4.11Å; V516-Y533 HydrophobicContact CG2-CD2 4.42Å; V516-Y533 HydrophobicContact CG2-CE1 4.39Å; V516-Y533 HydrophobicContact CG2-CG 4.13Å; V516-M573 HydrophobicContact CG2-CE 3.39Å
517E87.2Confident86.4Confident88 Ų8863.2 Ų63.241%0.41130%0.303SS..Hα-helixtrans-60.6-47.2173.4-75.7170.1-175.500111.9R513 K514 V515 F519 R520 D521R513-E517 WeakPolarHBondContact O-CG 3.24Å; R513-E517 PolarHBondContact O-N 3.31Å; K514-E517 PolarHBondContact O-N 3.34Å; V515-E517 VanDerWaalsContact C-N 3.31Å; V515-E517 PolarHBondContact O-N 2.94Å; E517-F519 VanDerWaalsContact C-N 3.26Å; E517-F519 PolarHBondContact O-N 3.27Å; E517-R520 WeakPolarHBondContact O-CB 3.19Å; E517-R520 PolarHBondContact O-N 2.88Å; E517-R520 VanDerWaalsContact O-N 3.1Å; E517-D521 WeakPolarHBondContact O-CB 3.19Å; E517-D521 PolarHBondContact O-N 3.45Å
518I87.2Confident86.3Confident28 Ų2865 Ų6514%0.14431%0.313CS..Hα-helixtrans-56.5-41176.4-72.1163.2000111.6K514 V515 R522K514-I518 HydrophobicContact CG-CD1 4.18Å; K514-I518 WeakPolarHBondContact O-CD1 3.45Å; K514-I518 WeakPolarHBondContact O-CG1 3.4Å; K514-I518 PolarHBondContact O-N 3.39Å; V515-I518 PolarHBondContact O-N 2.95Å; I518-R522 VanDerWaalsContact O-CB 3.31Å; I518-R522 WeakPolarHBondContact O-CB 3.36Å; I518-R522 WeakPolarHBondContact O-CG 3.04Å; I518-R522 PolarHBondContact O-N 2.86Å
519F87.5Confident86.1Confident18 Ų1865.1 Ų65.18%0.07931%0.313CS..Hα-helixtrans-72-39.1177.4-81.2-72.5000112.3V515 V516 E517 Y523 I529 V530 E576V515-F519 HydrophobicContact CG1-CD2 3.77Å; V515-F519 HydrophobicContact CG1-CE2 3.68Å; V515-F519 WeakPolarHBondContact O-CD2 3.27Å; V515-F519 PolarHBondContact O-N 3.34Å; V516-F519 PolarHBondContact O-N 3.3Å; E517-F519 VanDerWaalsContact C-N 3.26Å; E517-F519 PolarHBondContact O-N 3.27Å; F519-Y523 AromaticContact CD1-CD2 3.67Å; F519-Y523 HydrophobicContact CD1-CD2 3.67Å; F519-Y523 AromaticContact CD1-CE2 3.67Å; F519-Y523 HydrophobicContact CD1-CE2 3.67Å; F519-Y523 HydrophobicContact CE1-CD2 4.34Å; F519-Y523 AromaticContact CE1-CE2 3.89Å; F519-Y523 HydrophobicContact CE1-CE2 3.89Å; F519-Y523 PolarHBondContact O-N 2.65Å; F519-I529 HydrophobicContact CB-CG2 4.39Å; F519-I529 HydrophobicContact CD1-CD1 3.48Å; F519-I529 VanDerWaalsContact CD1-CD1 3.48Å; F519-I529 HydrophobicContact CD2-CD1 3.92Å; F519-I529 HydrophobicContact CD2-CG2 3.98Å; F519-I529 HydrophobicContact CE1-CD1 3.31Å; F519-I529 HydrophobicContact CE2-CD1 3.77Å; F519-I529 HydrophobicContact CG-CB 4.33Å; F519-I529 HydrophobicContact CG-CD1 3.81Å; F519-I529 HydrophobicContact CG-CG2 4.17Å; F519-I529 HydrophobicContact CZ-CD1 3.47Å; F519-I529 VanDerWaalsContact CZ-CD1 3.47Å; F519-V530 HydrophobicContact CB-CG2 4.3Å; F519-E576 HydrophobicContact CE2-CB 4.08Å; F519-E576 HydrophobicContact CE2-CG 4.12Å; F519-E576 HydrophobicContact CZ-CB 4.41Å; F519-E576 HydrophobicContact CZ-CG 4.4Å
520R87.9Confident85.9Confident124 Ų12464.5 Ų64.547%0.46831%0.311SS..Hα-helixtrans-61.6-43.3175.1-172.9-177.9-66.4168.8-1.8111.5V516 E517 G524 V530V516-R520 WeakPolarHBondContact O-CB 3.31Å; V516-R520 PolarHBondContact O-N 3.42Å; E517-R520 WeakPolarHBondContact O-CB 3.19Å; E517-R520 PolarHBondContact O-N 2.88Å; E517-R520 VanDerWaalsContact O-N 3.1Å; R520-G524 CarbonylContact O-C 3.37Å; R520-G524 WeakPolarHBondContact O-CA 3.27Å; R520-G524 PolarHBondContact O-N 3.18Å; R520-V530 HydrophobicContact CB-CG2 4.05Å
521D85.9Confident85.8Confident138 Ų13867.4 Ų67.474%0.73832%0.322SS*.Hα-helixtrans-72.8-39.2-179.5-68.6-11.5000112.3E517E517-D521 WeakPolarHBondContact O-CB 3.19Å; E517-D521 PolarHBondContact O-N 3.45Å
522R85.3Confident85.7Confident128 Ų12867.4 Ų67.448%0.48332%0.324SS..Hα-helixtrans-77.7-35.4-178.5-76.4-175-169.2156.511114.1I518 E576I518-R522 VanDerWaalsContact O-CB 3.31Å; I518-R522 WeakPolarHBondContact O-CB 3.36Å; I518-R522 WeakPolarHBondContact O-CG 3.04Å; I518-R522 PolarHBondContact O-N 2.86Å; R522-E576 IonicContact CZ-OE1 3.96Å; R522-E576 IonicContact NH1-OE1 3.59Å; R522-E576 PolarHBondContact NH1-OE1 3.36Å; R522-E576 IonicContact NH2-OE1 2.86Å
523Y84.4Confident85.7Confident151 Ų15169.8 Ų69.859%0.59233%0.333SS*.Hα-helixtrans-125.2-0.4-168.6-56.6-77.6000113.8F519F519-Y523 AromaticContact CD1-CD2 3.67Å; F519-Y523 HydrophobicContact CD1-CD2 3.67Å; F519-Y523 AromaticContact CD1-CE2 3.67Å; F519-Y523 HydrophobicContact CD1-CE2 3.67Å; F519-Y523 HydrophobicContact CE1-CD2 4.34Å; F519-Y523 AromaticContact CE1-CE2 3.89Å; F519-Y523 HydrophobicContact CE1-CE2 3.89Å; F519-Y523 PolarHBondContact O-N 2.65Å
524G81.9Confident85.9Confident23 Ų2366.9 Ų66.924%0.23732%0.324CS..  trans84.4173.3-177.600000114R520 D526 C527R520-G524 CarbonylContact O-C 3.37Å; R520-G524 WeakPolarHBondContact O-CA 3.27Å; R520-G524 PolarHBondContact O-N 3.18Å; G524-D526 PolarHBondContact O-N 3.33Å; G524-C527 WeakPolarHBondContact O-CB 3.47Å; G524-C527 PolarHBondContact O-N 3.48Å
525P79.5Confident85.9Confident86 Ų8662.1 Ų62.156%0.55831%0.305SS*.THydrogen-bonded Turntrans-67.2-22.2-179.927.3-33.8000113.2C527P525-C527 PolarHBondContact O-N 2.87Å
526D79.9Confident86Confident120 Ų12062.4 Ų62.464%0.64231%0.307SS*.THydrogen-bonded Turntrans-824.3-179.2-62-36.8000113.9G524 D528G524-D526 PolarHBondContact O-N 3.33Å; D526-D528 PolarHBondContact O-N 2.97Å
527C85.1Confident86.2Confident20 Ų2062 Ų6214%0.13530%0.304CS..  trans-63.8134.8177.3-175.70000111.3G524 P525 I529 V530 Q531G524-C527 WeakPolarHBondContact O-CB 3.47Å; G524-C527 PolarHBondContact O-N 3.48Å; P525-C527 PolarHBondContact O-N 2.87Å; C527-I529 PolarHBondContact O-N 3.41Å; C527-V530 HydrophobicContact CB-CB 4.46Å; C527-V530 HydrophobicContact CB-CG2 4.07Å; C527-V530 PolarHBondContact O-N 3.34Å; C527-Q531 PolarHBondContact O-N 3.48Å
528D84.7Confident86.3Confident107 Ų10758.1 Ų58.157%0.57229%0.286SS*.Hα-helixtrans-47.9-34.1177.8-63.5-19.5000113.8D526 G532 L569D526-D528 PolarHBondContact O-N 2.97Å; D528-G532 WeakPolarHBondContact O-CA 3.32Å; D528-G532 PolarHBondContact O-N 2.89Å; D528-L569 HydrophobicContact CB-CD2 4.12Å; D528-L569 WeakPolarHBondContact O-CD1 3.29Å
529I84.3Confident86.3Confident1 Ų160.4 Ų60.41%0.00530%0.297CS..Hα-helixtrans-73.2-40.1-179.6-67.2166.9000111F519 C527 Y533 L569 R572 M573F519-I529 HydrophobicContact CB-CG2 4.39Å; F519-I529 HydrophobicContact CD1-CD1 3.48Å; F519-I529 VanDerWaalsContact CD1-CD1 3.48Å; F519-I529 HydrophobicContact CD2-CD1 3.92Å; F519-I529 HydrophobicContact CD2-CG2 3.98Å; F519-I529 HydrophobicContact CE1-CD1 3.31Å; F519-I529 HydrophobicContact CE2-CD1 3.77Å; F519-I529 HydrophobicContact CG-CB 4.33Å; F519-I529 HydrophobicContact CG-CD1 3.81Å; F519-I529 HydrophobicContact CG-CG2 4.17Å; F519-I529 HydrophobicContact CZ-CD1 3.47Å; F519-I529 VanDerWaalsContact CZ-CD1 3.47Å; C527-I529 PolarHBondContact O-N 3.41Å; I529-Y533 WeakPolarHBondContact O-CB 3.42Å; I529-Y533 PolarHBondContact O-N 3.49Å; I529-L569 HydrophobicContact CG1-CD2 3.81Å; I529-R572 HydrophobicContact CD1-CB 4.06Å; I529-M573 HydrophobicContact CG2-CE 4.31Å; I529-M573 HydrophobicContact CG2-CG 3.98Å; I529-M573 HydrophobicContact CG2-SD 4.27Å
530V82.9Confident86.4Confident23 Ų2361.3 Ų61.314%0.13930%0.302CS..Hα-helixtrans-71.5-44.2-179.8-178.70000109.7F519 R520 C527 G532F519-V530 HydrophobicContact CB-CG2 4.3Å; R520-V530 HydrophobicContact CB-CG2 4.05Å; C527-V530 HydrophobicContact CB-CB 4.46Å; C527-V530 HydrophobicContact CB-CG2 4.07Å; C527-V530 PolarHBondContact O-N 3.34Å; V530-G532 VanDerWaalsContact C-N 3.35Å
531Q85.2Confident86.4Confident119 Ų11956 Ų5656%0.55628%0.283SS*.Hα-helixtrans-70.6-30.1176.2-66.9-168.5-7.400113.1C527C527-Q531 PolarHBondContact O-N 3.48Å
532G86.5Confident86.5Confident6 Ų652.4 Ų52.46%0.06226%0.264CS..THydrogen-bonded Turntrans-86.8-2.4-178.200000115.1D528 V530 V564 Q565D528-G532 WeakPolarHBondContact O-CA 3.32Å; D528-G532 PolarHBondContact O-N 2.89Å; V530-G532 VanDerWaalsContact C-N 3.35Å; G532-V564 CarbonylContact O-C 3.57Å; G532-V564 WeakPolarHBondContact O-CA 3.48Å; G532-V564 WeakPolarHBondContact O-CG1 3.5Å; G532-Q565 WeakPolarHBondContact O-CB 3.46Å; G532-Q565 PolarHBondContact O-N 3.29Å
533Y91.2Very high86.7Confident50 Ų5046.5 Ų46.520%0.19624%0.242CC..EExtended strand (participates in β ladder)trans-101.1118.3177.1174.2-94.3000110V512 V516 I529 H562 V564 M573V512-Y533 HydrophobicContact CG1-CD2 4.4Å; V512-Y533 HydrophobicContact CG1-CE2 3.6Å; V516-Y533 HydrophobicContact CG2-CD1 4.11Å; V516-Y533 HydrophobicContact CG2-CD2 4.42Å; V516-Y533 HydrophobicContact CG2-CE1 4.39Å; V516-Y533 HydrophobicContact CG2-CG 4.13Å; I529-Y533 WeakPolarHBondContact O-CB 3.42Å; I529-Y533 PolarHBondContact O-N 3.49Å; Y533-H562 HydrophobicContact CE2-CB 3.88Å; Y533-H562 AromaticContact CE2-CG 3.93Å; Y533-H562 AromaticContact CE2-ND1 3.46Å; Y533-H562 WeakPolarHBondContact CE2-ND1 3.46Å; Y533-H562 AromaticContact CZ-ND1 3.51Å; Y533-H562 PolarHBondContact OH-CE1 3.43Å; Y533-H562 VanDerWaalsContact OH-CE1 3.28Å; Y533-H562 PolarHBondContact OH-ND1 3.2Å; Y533-V564 HydrophobicContact CD2-CG2 4.1Å; Y533-M573 HydrophobicContact CD2-CE 3.82Å; Y533-M573 HydrophobicContact CD2-SD 4.43Å; Y533-M573 HydrophobicContact CE2-CE 4.36Å; Y533-M573 HydrophobicContact CG-CE 4.35Å
534H90.6Very high86.8Confident59 Ų5942.2 Ų42.227%0.27323%0.233SC..EExtended strand (participates in β ladder)trans-99.5-0.4-172.2-63.4-68.8000114.2L540 V563 Q565 F620H534-L540 HydrophobicContact CB-CD1 4.41Å; H534-V563 HydrophobicContact CB-CB 4.25Å; H534-V563 HydrophobicContact CB-CG1 4.26Å; H534-V563 PolarHBondContact N-O 2.9Å; H534-Q565 PolarHBondContact NE2-OE1 2.98Å; H534-F620 HydrophobicContact CB-CE1 3.91Å; H534-F620 HydrophobicContact CB-CZ 3.87Å; H534-F620 AromaticContact CD2-CE1 3.87Å; H534-F620 AromaticContact CG-CE1 3.69Å; H534-F620 AromaticContact CG-CZ 3.82Å; H534-F620 AromaticContact ND1-CZ 3.91Å
535G90.1Very high87Confident6 Ų648.1 Ų48.16%0.06225%0.254CS..EExtended strand (participates in β ladder)trans97.9-164.9-176.400000113.6H562 V563G535-H562 CarbonylContact O-C 3.56Å; G535-H562 WeakPolarHBondContact O-CA 3.48Å; G535-V563 PolarHBondContact O-N 2.9Å
536T90.9Very high87.3Confident6 Ų648.7 Ų48.74%0.03726%0.256CS..EExtended strand (participates in β ladder)trans-94.1156.5-18053.80000111.4L509 I538 E539 L540 Y561 H562L509-T536 HydrophobicContact CD2-CG2 3.62Å; T536-I538 VanDerWaalsContact C-N 3.26Å; T536-I538 PolarHBondContact O-N 3.41Å; T536-I538 WeakPolarHBondContact OG1-CG2 3.4Å; T536-E539 PolarHBondContact N-OE2 3.43Å; T536-E539 PolarHBondContact O-N 3.46Å; T536-E539 VanDerWaalsContact O-N 3.13Å; T536-E539 WeakPolarHBondContact OG1-CG 3.44Å; T536-E539 PolarHBondContact OG1-OE2 3.34Å; T536-L540 WeakPolarHBondContact O-CG 3.38Å; T536-Y561 CarbonylContact C-O 3.52Å; T536-Y561 WeakPolarHBondContact CA-O 3.48Å; T536-H562 WeakPolarHBondContact CG2-ND1 3.43Å
537L91.2Very high87.7Confident0 Ų044.2 Ų44.20%023%0.231CC..Hα-helixtrans-55.9-42.2178.9-173.972.2000111.6E539 L540 I541 R558 L559 Y561 V623 M624 I627 F628L537-E539 PolarHBondContact O-N 3.17Å; L537-E539 VanDerWaalsContact O-N 3.11Å; L537-L540 PolarHBondContact O-N 2.87Å; L537-I541 HydrophobicContact CD1-CG2 4.12Å; L537-I541 HydrophobicContact CG-CG2 3.82Å; L537-I541 WeakPolarHBondContact O-CG2 3.49Å; L537-I541 PolarHBondContact O-N 2.96Å; L537-R558 WeakPolarHBondContact CD2-O 3.47Å; L537-L559 CarbonylContact C-O 3.55Å; L537-L559 WeakPolarHBondContact CB-O 3.43Å; L537-L559 HydrophobicContact CD2-CD2 4.48Å; L537-L559 PolarHBondContact N-O 2.65Å; L537-Y561 PolarHBondContact N-O 3.14Å; L537-V623 HydrophobicContact CD1-CG1 4.03Å; L537-M624 HydrophobicContact CD1-CE 3.6Å; L537-M624 HydrophobicContact CD1-SD 3.78Å; L537-I627 HydrophobicContact CD1-CD1 4.16Å; L537-I627 HydrophobicContact CD2-CD1 3.33Å; L537-I627 HydrophobicContact CD2-CG2 4.41Å; L537-I627 HydrophobicContact CG-CD1 4.35Å; L537-F628 HydrophobicContact CD2-CE2 4.22Å; L537-F628 HydrophobicContact CD2-CZ 4.38Å
538I90Very high87.9Confident7 Ų743.8 Ų43.84%0.03623%0.227CC..Hα-helixtrans-58.8-25-179-156.6176.5000113.8T536 L559 F560 R676 L677 Q680T536-I538 VanDerWaalsContact C-N 3.26Å; T536-I538 PolarHBondContact O-N 3.41Å; T536-I538 WeakPolarHBondContact OG1-CG2 3.4Å; I538-L559 HydrophobicContact CB-CB 4.33Å; I538-L559 WeakPolarHBondContact CB-O 3.44Å; I538-L559 PolarHBondContact N-O 3.1Å; I538-F560 HydrophobicContact CD1-CE1 4.15Å; I538-F560 HydrophobicContact CD1-CZ 4.47Å; I538-F560 HydrophobicContact CG2-CD1 4.49Å; I538-R676 HydrophobicContact CD1-CB 3.89Å; I538-L677 HydrophobicContact CG1-CD2 3.79Å; I538-Q680 HydrophobicContact CD1-CB 4.07Å; I538-Q680 HydrophobicContact CD1-CG 4.42Å; I538-Q680 HydrophobicContact CG1-CB 4.18Å; I538-Q680 HydrophobicContact CG1-CG 4.14Å; I538-Q680 HydrophobicContact CG2-CG 4.36Å
539E87.9Confident88.1Confident77 Ų7740.4 Ų40.436%0.3621%0.21SC..Hα-helixtrans-83.4-20.8176.3-70.2160.4162.100112.7T536 L537 Q680T536-E539 PolarHBondContact N-OE2 3.43Å; T536-E539 PolarHBondContact O-N 3.46Å; T536-E539 VanDerWaalsContact O-N 3.13Å; T536-E539 WeakPolarHBondContact OG1-CG 3.44Å; T536-E539 PolarHBondContact OG1-OE2 3.34Å; L537-E539 PolarHBondContact O-N 3.17Å; L537-E539 VanDerWaalsContact O-N 3.11Å; E539-Q680 VanDerWaalsContact CG-NE2 3.34Å
540L88.5Confident88.3Confident36 Ų3640.4 Ų40.419%0.18821%0.21CC..Hα-helixtrans-103.1-4.9-170.4-63.4175.5000114.1H534 T536 L537 V563 F620 M624H534-L540 HydrophobicContact CB-CD1 4.41Å; T536-L540 WeakPolarHBondContact O-CG 3.38Å; L537-L540 PolarHBondContact O-N 2.87Å; L540-V563 HydrophobicContact CD1-CB 3.87Å; L540-V563 HydrophobicContact CD1-CG1 4.42Å; L540-V563 HydrophobicContact CD1-CG2 3.71Å; L540-F620 HydrophobicContact CD1-CD2 4.32Å; L540-F620 HydrophobicContact CD1-CE2 4.22Å; L540-F620 HydrophobicContact CD1-CZ 4.32Å; L540-F620 HydrophobicContact CD2-CD2 4.31Å; L540-F620 HydrophobicContact CD2-CE2 3.75Å; L540-F620 HydrophobicContact CD2-CZ 4.24Å; L540-F620 HydrophobicContact CG-CE2 4.48Å; L540-M624 HydrophobicContact CB-CE 4.39Å
541I89.4Confident88.7Confident13 Ų1339.4 Ų39.47%0.06720%0.204CC..  trans-116.8137.5178.1133.9175.4000109.5L537 V551 L614 M624 F628L537-I541 HydrophobicContact CD1-CG2 4.12Å; L537-I541 HydrophobicContact CG-CG2 3.82Å; L537-I541 WeakPolarHBondContact O-CG2 3.49Å; L537-I541 PolarHBondContact O-N 2.96Å; I541-V551 HydrophobicContact CD1-CG1 3.49Å; I541-V551 VanDerWaalsContact CD1-CG1 3.49Å; I541-L614 HydrophobicContact CD1-CD1 4.33Å; I541-L614 HydrophobicContact CD1-CD2 3.74Å; I541-L614 HydrophobicContact CG1-CD2 4.44Å; I541-M624 HydrophobicContact CB-CE 4.13Å; I541-M624 HydrophobicContact CG2-CE 3.99Å; I541-M624 HydrophobicContact CG2-SD 4.49Å; I541-F628 HydrophobicContact CD1-CE2 4.15Å; I541-F628 HydrophobicContact CD1-CZ 4.02Å
542D87.9Confident88.9Confident63 Ų6334.9 Ų34.934%0.33718%0.182SC..BIsolated β-bridgetrans-123.2149.4163.2-173.727.5000109.8N615 K681D542-N615 HydrophobicContact CB-CB 4.22Å; D542-N615 PolarHBondContact N-O 3.22Å; D542-N615 PolarHBondContact O-N 2.96Å; D542-K681 IonicContact OD1-NZ 3.51Å; D542-K681 PolarHBondContact OD1-NZ 2.74Å; D542-K681 IonicContact OD2-NZ 3.19Å; D542-K681 PolarHBondContact OD2-NZ 2.86Å
543C88.4Confident89Confident4 Ų435.8 Ų35.83%0.02719%0.187CC..  trans-154.8161.9175.664.10000111.2Y548 L614C543-Y548 VanDerWaalsContact O-CE1 3.24Å; C543-Y548 WeakPolarHBondContact O-CE1 3.49Å; C543-Y548 VanDerWaalsContact SG-CD1 3.51Å; C543-L614 HydrophobicContact CB-CD2 3.69Å
544P87.2Confident88.9Confident61 Ų6134.2 Ų34.240%0.39618%0.182SC..  trans-64.3144.3174.1-18.430.1000112T546 F547 R613P544-T546 PolarHBondContact O-N 2.89Å; P544-T546 VanDerWaalsContact O-N 3.08Å; P544-F547 HydrophobicContact CB-CD2 3.92Å; P544-F547 HydrophobicContact CB-CE2 4.28Å; P544-F547 HydrophobicContact CG-CD2 3.97Å; P544-F547 HydrophobicContact CG-CE2 4.19Å; P544-F547 PolarHBondContact O-N 2.85Å; P544-R613 WeakPolarHBondContact CD-O 3.34Å
545E85Confident88.8Confident146 Ų14631.6 Ų31.668%0.68217%0.171SC*.G310 helixtrans-53-34.5-176.4-65.3176-178.200113.4F547 Y548E545-F547 PolarHBondContact O-N 3.21Å; E545-Y548 HydrophobicContact CB-CD2 4.38Å; E545-Y548 HydrophobicContact CB-CE2 4.1Å; E545-Y548 HydrophobicContact CG-CD2 4.5Å; E545-Y548 HydrophobicContact CG-CE2 3.75Å; E545-Y548 PolarHBondContact O-N 3.14Å; E545-Y548 VanDerWaalsContact O-N 3.13Å
546T86.2Confident88.7Confident99 Ų9932.5 Ų32.561%0.60718%0.18SC*.G310 helixtrans-58.4-19.3177.855.40000113.9P544P544-T546 PolarHBondContact O-N 2.89Å; P544-T546 VanDerWaalsContact O-N 3.08Å
547F88.9Confident88.5Confident25 Ų2535 Ų3511%0.1120%0.198CC..G310 helixtrans-107.6-2-177.2-59.9-70.7000113.7P544 E545 T549 S550 V551 I608 R613 I633 L654P544-F547 HydrophobicContact CB-CD2 3.92Å; P544-F547 HydrophobicContact CB-CE2 4.28Å; P544-F547 HydrophobicContact CG-CD2 3.97Å; P544-F547 HydrophobicContact CG-CE2 4.19Å; P544-F547 PolarHBondContact O-N 2.85Å; E545-F547 PolarHBondContact O-N 3.21Å; F547-T549 PolarHBondContact O-N 3.18Å; F547-S550 PolarHBondContact O-N 3.48Å; F547-S550 VanDerWaalsContact O-N 3.1Å; F547-S550 PolarHBondContact O-OG 2.79Å; F547-V551 HydrophobicContact CB-CG2 4.28Å; F547-V551 WeakPolarHBondContact O-CG2 3.31Å; F547-V551 PolarHBondContact O-N 2.93Å; F547-I608 HydrophobicContact CE1-CD1 3.94Å; F547-I608 HydrophobicContact CZ-CD1 4.08Å; F547-R613 HydrophobicContact CD2-CB 4.29Å; F547-R613 HydrophobicContact CE2-CB 4.26Å; F547-R613 HydrophobicContact CE2-CG 4.1Å; F547-R613 HydrophobicContact CZ-CG 4.11Å; F547-I633 HydrophobicContact CD1-CD1 3.64Å; F547-I633 HydrophobicContact CE1-CD1 3.96Å; F547-L654 HydrophobicContact CD1-CD2 3.57Å; F547-L654 HydrophobicContact CE1-CD2 3.58Å
548Y89.8Confident88.5Confident12 Ų1240 Ų405%0.04722%0.217CC..Hα-helixtrans-52.7-53.2-175.3-73.8-7.4000112.7C543 E545 S550 V551 E552 L677 E678 K681C543-Y548 VanDerWaalsContact O-CE1 3.24Å; C543-Y548 WeakPolarHBondContact O-CE1 3.49Å; C543-Y548 VanDerWaalsContact SG-CD1 3.51Å; E545-Y548 HydrophobicContact CB-CD2 4.38Å; E545-Y548 HydrophobicContact CB-CE2 4.1Å; E545-Y548 HydrophobicContact CG-CD2 4.5Å; E545-Y548 HydrophobicContact CG-CE2 3.75Å; E545-Y548 PolarHBondContact O-N 3.14Å; E545-Y548 VanDerWaalsContact O-N 3.13Å; Y548-S550 VanDerWaalsContact C-N 3.34Å; Y548-S550 PolarHBondContact O-N 3.31Å; Y548-V551 PolarHBondContact O-N 3.42Å; Y548-E552 WeakPolarHBondContact O-CB 3.36Å; Y548-E552 VanDerWaalsContact O-CG 3.29Å; Y548-E552 WeakPolarHBondContact O-CG 3.37Å; Y548-E552 PolarHBondContact O-N 2.93Å; Y548-L677 HydrophobicContact CD1-CB 4.01Å; Y548-L677 HydrophobicContact CD1-CD1 3.97Å; Y548-L677 HydrophobicContact CD2-CB 4.45Å; Y548-L677 HydrophobicContact CE1-CB 4.15Å; Y548-L677 HydrophobicContact CG-CB 4.16Å; Y548-L677 HydrophobicContact CG-CD1 4.46Å; Y548-E678 HydrophobicContact CD2-CB 3.94Å; Y548-E678 HydrophobicContact CE2-CB 3.73Å; Y548-E678 HydrophobicContact CE2-CG 4.22Å; Y548-K681 WeakPolarHBondContact OH-CD 3.35Å
549T87.6Confident88.5Confident36 Ų3639.7 Ų39.722%0.22122%0.215CC..Hα-helixtrans-57.6-46.5178.3-54.10000111.6F547 V551 E552 V553 Y670F547-T549 PolarHBondContact O-N 3.18Å; T549-V551 VanDerWaalsContact C-N 3.35Å; T549-V551 PolarHBondContact O-N 3.35Å; T549-E552 PolarHBondContact O-N 3.39Å; T549-V553 HydrophobicContact CG2-CG2 4.26Å; T549-V553 WeakPolarHBondContact O-CB 3.36Å; T549-V553 WeakPolarHBondContact O-CG2 2.9Å; T549-V553 PolarHBondContact O-N 2.9Å; T549-Y670 HydrophobicContact CG2-CD1 4.39Å; T549-Y670 HydrophobicContact CG2-CD2 3.96Å; T549-Y670 HydrophobicContact CG2-CG 3.72Å
550S88.5Confident88.6Confident0 Ų036.6 Ų36.60%020%0.201CC..Hα-helixtrans-62.9-39.8-179.671.90000112.7F547 Y548 T554 M610 I652F547-S550 PolarHBondContact O-N 3.48Å; F547-S550 VanDerWaalsContact O-N 3.1Å; F547-S550 PolarHBondContact O-OG 2.79Å; Y548-S550 VanDerWaalsContact C-N 3.34Å; Y548-S550 PolarHBondContact O-N 3.31Å; S550-T554 VanDerWaalsContact O-CB 3.24Å; S550-T554 WeakPolarHBondContact O-CB 3.26Å; S550-T554 PolarHBondContact O-N 3.41Å; S550-T554 VanDerWaalsContact O-N 3.13Å; S550-T554 PolarHBondContact O-OG1 2.9Å; S550-M610 WeakPolarHBondContact O-CE 3.33Å; S550-I652 WeakPolarHBondContact O-CD1 3.37Å
551V91.2Very high88.8Confident2 Ų237.3 Ų37.31%0.01220%0.201CC..Hα-helixtrans-72.2-44.2179171.90000110.8I541 F547 Y548 T549 T554 A555 M610 L614 F628 L677I541-V551 HydrophobicContact CD1-CG1 3.49Å; I541-V551 VanDerWaalsContact CD1-CG1 3.49Å; F547-V551 HydrophobicContact CB-CG2 4.28Å; F547-V551 WeakPolarHBondContact O-CG2 3.31Å; F547-V551 PolarHBondContact O-N 2.93Å; Y548-V551 PolarHBondContact O-N 3.42Å; T549-V551 VanDerWaalsContact C-N 3.35Å; T549-V551 PolarHBondContact O-N 3.35Å; V551-T554 PolarHBondContact O-N 3.23Å; V551-A555 WeakPolarHBondContact O-CB 3.41Å; V551-A555 PolarHBondContact O-N 3.33Å; V551-M610 HydrophobicContact CG2-CE 4.49Å; V551-M610 HydrophobicContact CG2-SD 4.28Å; V551-L614 HydrophobicContact CG1-CD2 4.4Å; V551-L614 HydrophobicContact CG2-CD2 3.77Å; V551-F628 HydrophobicContact CG1-CE1 3.9Å; V551-F628 HydrophobicContact CG1-CZ 3.97Å; V551-L677 HydrophobicContact CB-CD1 4.08Å; V551-L677 HydrophobicContact CG1-CD1 3.76Å
552E89.3Confident88.9Confident24 Ų2436.9 Ų36.911%0.11220%0.199CC..Hα-helixtrans-64.3-43.4-179.7-74.9-177.3-164.200112.6Y548 T549 T554 G556 L559 S675 R676 L677Y548-E552 WeakPolarHBondContact O-CB 3.36Å; Y548-E552 VanDerWaalsContact O-CG 3.29Å; Y548-E552 WeakPolarHBondContact O-CG 3.37Å; Y548-E552 PolarHBondContact O-N 2.93Å; T549-E552 PolarHBondContact O-N 3.39Å; E552-T554 VanDerWaalsContact C-N 3.35Å; E552-G556 VanDerWaalsContact O-CA 3.31Å; E552-G556 WeakPolarHBondContact O-CA 3.45Å; E552-G556 PolarHBondContact O-N 3.41Å; E552-L559 HydrophobicContact CB-CD1 4.32Å; E552-L559 HydrophobicContact CG-CD1 3.93Å; E552-S675 VanDerWaalsContact OE1-C 3.3Å; E552-S675 VanDerWaalsContact OE1-CA 3.31Å; E552-S675 WeakPolarHBondContact OE1-CA 3.22Å; E552-S675 WeakPolarHBondContact OE1-CB 3.28Å; E552-S675 PolarHBondContact OE1-OG 3.23Å; E552-R676 PolarHBondContact OE1-N 3.02Å; E552-R676 PolarHBondContact OE2-N 3.41Å; E552-L677 HydrophobicContact CG-CD1 3.84Å; E552-L677 HydrophobicContact CG-CG 3.98Å; E552-L677 PolarHBondContact OE1-N 3.23Å
553V88.3Confident89.2Confident26 Ų2633.9 Ų33.916%0.15818%0.183CC..Hα-helixtrans-67-40.3176.6174.80000110.5T549 I652 Y670T549-V553 HydrophobicContact CG2-CG2 4.26Å; T549-V553 WeakPolarHBondContact O-CB 3.36Å; T549-V553 WeakPolarHBondContact O-CG2 2.9Å; T549-V553 PolarHBondContact O-N 2.9Å; V553-I652 HydrophobicContact CB-CD1 3.86Å; V553-I652 HydrophobicContact CG1-CD1 3.84Å; V553-Y670 HydrophobicContact CG2-CD1 3.76Å; V553-Y670 HydrophobicContact CG2-CE1 3.29Å; V553-Y670 HydrophobicContact CG2-CE2 4.09Å; V553-Y670 HydrophobicContact CG2-CG 4.35Å; V553-Y670 VanDerWaalsContact CG2-CZ 3.46Å
554T89.9Confident89.3Confident16 Ų1633.7 Ų33.710%0.09818%0.182CC..Hα-helixtrans-65-45.4179.3-63.40000112.4S550 V551 E552 M610 F628 T631 I652S550-T554 VanDerWaalsContact O-CB 3.24Å; S550-T554 WeakPolarHBondContact O-CB 3.26Å; S550-T554 PolarHBondContact O-N 3.41Å; S550-T554 VanDerWaalsContact O-N 3.13Å; S550-T554 PolarHBondContact O-OG1 2.9Å; V551-T554 PolarHBondContact O-N 3.23Å; E552-T554 VanDerWaalsContact C-N 3.35Å; T554-M610 HydrophobicContact CG2-CE 4.44Å; T554-M610 HydrophobicContact CG2-SD 3.83Å; T554-M610 WeakPolarHBondContact OG1-CE 3.38Å; T554-F628 HydrophobicContact CG2-CD1 3.92Å; T554-F628 HydrophobicContact CG2-CE1 4.31Å; T554-T631 HydrophobicContact CG2-CG2 3.81Å; T554-T631 WeakPolarHBondContact CG2-OG1 3.09Å; T554-I652 WeakPolarHBondContact OG1-CD1 3.41Å
555A89.7Confident89.5Confident4 Ų434.9 Ų34.93%0.03318%0.182CC..Hα-helixtrans-79.1-34.417900000112.3V551 S557 R558 L559 I627 F628V551-A555 WeakPolarHBondContact O-CB 3.41Å; V551-A555 PolarHBondContact O-N 3.33Å; A555-S557 PolarHBondContact O-N 3.43Å; A555-R558 HydrophobicContact CB-CB 4.47Å; A555-R558 WeakPolarHBondContact O-CA 3.48Å; A555-R558 WeakPolarHBondContact O-CB 3.32Å; A555-R558 VanDerWaalsContact O-CG 3.22Å; A555-R558 WeakPolarHBondContact O-CG 3.09Å; A555-R558 PolarHBondContact O-N 3.08Å; A555-L559 HydrophobicContact CB-CD2 3.54Å; A555-L559 HydrophobicContact CB-CG 3.59Å; A555-I627 HydrophobicContact CB-CG2 4.3Å; A555-F628 HydrophobicContact CB-CE1 3.81Å; A555-F628 HydrophobicContact CB-CZ 3.84Å
556G87.5Confident89.7Confident25 Ų2531.1 Ų31.126%0.25817%0.166SC..G310 helixtrans57.5-123.6-176.800000111.9E552 R558E552-G556 VanDerWaalsContact O-CA 3.31Å; E552-G556 WeakPolarHBondContact O-CA 3.45Å; E552-G556 PolarHBondContact O-N 3.41Å; G556-R558 PolarHBondContact O-N 3.33Å
557S86.5Confident89.9Confident58 Ų5827.8 Ų27.841%0.40615%0.145SC..G310 helixtrans-73.3-12.4174.556.70000113.7A555 L559 F560A555-S557 PolarHBondContact O-N 3.43Å; S557-L559 PolarHBondContact O-N 3.48Å; S557-F560 PolarHBondContact O-N 3.25Å; S557-F560 VanDerWaalsContact O-N 3.13Å
558R90.1Very high89.9Confident106 Ų10634 Ų3440%0.417%0.172SC..G310 helixtrans-67-18.9179.4-56.5176.1179.8-179.81.1113.3L537 A555 G556 F560 Y561 I627L537-R558 WeakPolarHBondContact CD2-O 3.47Å; A555-R558 HydrophobicContact CB-CB 4.47Å; A555-R558 WeakPolarHBondContact O-CA 3.48Å; A555-R558 WeakPolarHBondContact O-CB 3.32Å; A555-R558 VanDerWaalsContact O-CG 3.22Å; A555-R558 WeakPolarHBondContact O-CG 3.09Å; A555-R558 PolarHBondContact O-N 3.08Å; G556-R558 PolarHBondContact O-N 3.33Å; R558-F560 PolarHBondContact O-N 3.47Å; R558-Y561 HydrophobicContact CB-CD1 4.4Å; R558-Y561 HydrophobicContact CB-CD2 4.35Å; R558-Y561 HydrophobicContact CB-CE1 4.44Å; R558-Y561 HydrophobicContact CB-CE2 4.41Å; R558-Y561 HydrophobicContact CB-CG 4.36Å; R558-Y561 HydrophobicContact CG-CD2 4.39Å; R558-Y561 HydrophobicContact CG-CE1 4.28Å; R558-Y561 HydrophobicContact CG-CE2 3.97Å; R558-Y561 WeakPolarHBondContact O-CB 3.48Å; R558-Y561 PolarHBondContact O-N 3.09Å; R558-I627 HydrophobicContact CB-CD1 4.48Å
559L90Very high90Very high0 Ų034.2 Ų34.20%017%0.174CC..G310 helixtrans-55.3-29.7170.7-70.1178.3000112.6L537 I538 E552 A555 S557L537-L559 CarbonylContact C-O 3.55Å; L537-L559 WeakPolarHBondContact CB-O 3.43Å; L537-L559 HydrophobicContact CD2-CD2 4.48Å; L537-L559 PolarHBondContact N-O 2.65Å; I538-L559 HydrophobicContact CB-CB 4.33Å; I538-L559 WeakPolarHBondContact CB-O 3.44Å; I538-L559 PolarHBondContact N-O 3.1Å; E552-L559 HydrophobicContact CB-CD1 4.32Å; E552-L559 HydrophobicContact CG-CD1 3.93Å; A555-L559 HydrophobicContact CB-CD2 3.54Å; A555-L559 HydrophobicContact CB-CG 3.59Å; S557-L559 PolarHBondContact O-N 3.48Å
560F90.3Very high90.1Very high13 Ų1333.2 Ų33.26%0.05717%0.168CC..G310 helixtrans-97.512.1-179-57.5-70.3000113.1T501 I505 L509 I538 S557 R558T501-F560 HydrophobicContact CG2-CD2 4.48Å; T501-F560 HydrophobicContact CG2-CE1 4.32Å; T501-F560 HydrophobicContact CG2-CE2 4.04Å; T501-F560 HydrophobicContact CG2-CZ 3.94Å; I505-F560 HydrophobicContact CD1-CD2 4.27Å; I505-F560 HydrophobicContact CG2-CB 3.64Å; I505-F560 HydrophobicContact CG2-CD2 3.86Å; I505-F560 HydrophobicContact CG2-CG 3.76Å; L509-F560 HydrophobicContact CD1-CD1 4.01Å; L509-F560 HydrophobicContact CD2-CB 4.42Å; I538-F560 HydrophobicContact CD1-CE1 4.15Å; I538-F560 HydrophobicContact CD1-CZ 4.47Å; I538-F560 HydrophobicContact CG2-CD1 4.49Å; S557-F560 PolarHBondContact O-N 3.25Å; S557-F560 VanDerWaalsContact O-N 3.13Å; R558-F560 PolarHBondContact O-N 3.47Å
561Y92.6Very high90.2Very high50 Ų5038.5 Ų38.520%0.19620%0.195CC..PPolyproline II helixtrans-76138177.4-75.420000109.8T536 L537 R558 N587 L589T536-Y561 CarbonylContact C-O 3.52Å; T536-Y561 WeakPolarHBondContact CA-O 3.48Å; L537-Y561 PolarHBondContact N-O 3.14Å; R558-Y561 HydrophobicContact CB-CD1 4.4Å; R558-Y561 HydrophobicContact CB-CD2 4.35Å; R558-Y561 HydrophobicContact CB-CE1 4.44Å; R558-Y561 HydrophobicContact CB-CE2 4.41Å; R558-Y561 HydrophobicContact CB-CG 4.36Å; R558-Y561 HydrophobicContact CG-CD2 4.39Å; R558-Y561 HydrophobicContact CG-CE1 4.28Å; R558-Y561 HydrophobicContact CG-CE2 3.97Å; R558-Y561 WeakPolarHBondContact O-CB 3.48Å; R558-Y561 PolarHBondContact O-N 3.09Å; Y561-N587 WeakPolarHBondContact CA-O 3.4Å; Y561-N587 HydrophobicContact CD1-CB 3.28Å; Y561-N587 HydrophobicContact CD2-CB 3.85Å; Y561-N587 HydrophobicContact CE1-CB 3.27Å; Y561-N587 VanDerWaalsContact CE1-ND2 3.31Å; Y561-N587 WeakPolarHBondContact CE1-ND2 3.41Å; Y561-N587 HydrophobicContact CE2-CB 3.84Å; Y561-N587 HydrophobicContact CG-CB 3.59Å; Y561-L589 HydrophobicContact CD2-CD1 4.07Å; Y561-L589 HydrophobicContact CD2-CD2 4.26Å; Y561-L589 HydrophobicContact CD2-CG 4.03Å; Y561-L589 HydrophobicContact CG-CD1 4.33Å
562H92.5Very high90.1Very high4 Ų444.9 Ų44.92%0.01922%0.219CC..EExtended strand (participates in β ladder)trans-86.5121-176.3-67-78.6000111.2Y533 G535 T536 N587 F588 L589Y533-H562 HydrophobicContact CE2-CB 3.88Å; Y533-H562 AromaticContact CE2-CG 3.93Å; Y533-H562 AromaticContact CE2-ND1 3.46Å; Y533-H562 WeakPolarHBondContact CE2-ND1 3.46Å; Y533-H562 AromaticContact CZ-ND1 3.51Å; Y533-H562 PolarHBondContact OH-CE1 3.43Å; Y533-H562 VanDerWaalsContact OH-CE1 3.28Å; Y533-H562 PolarHBondContact OH-ND1 3.2Å; G535-H562 CarbonylContact O-C 3.56Å; G535-H562 WeakPolarHBondContact O-CA 3.48Å; T536-H562 WeakPolarHBondContact CG2-ND1 3.43Å; H562-N587 PolarHBondContact N-O 3.15Å; H562-F588 HydrophobicContact CB-CD1 3.47Å; H562-F588 VanDerWaalsContact CB-CD1 3.47Å; H562-F588 HydrophobicContact CB-CE1 3.78Å; H562-F588 HydrophobicContact CB-CG 4.39Å; H562-F588 CarbonylContact O-C 3.42Å; H562-F588 VanDerWaalsContact O-CA 3.31Å; H562-F588 WeakPolarHBondContact O-CA 3.35Å; H562-L589 PolarHBondContact O-N 3.29Å
563V92.8Very high90.1Very high0 Ų043.8 Ų43.80%021%0.214CC..EExtended strand (participates in β ladder)trans-84.1124.3177-177.70000109.3H534 G535 L540 L589 I591 F620 V623H534-V563 HydrophobicContact CB-CB 4.25Å; H534-V563 HydrophobicContact CB-CG1 4.26Å; H534-V563 PolarHBondContact N-O 2.9Å; G535-V563 PolarHBondContact O-N 2.9Å; L540-V563 HydrophobicContact CD1-CB 3.87Å; L540-V563 HydrophobicContact CD1-CG1 4.42Å; L540-V563 HydrophobicContact CD1-CG2 3.71Å; V563-L589 HydrophobicContact CG2-CB 4.42Å; V563-L589 HydrophobicContact CG2-CD1 4.42Å; V563-I591 HydrophobicContact CG1-CD1 3.86Å; V563-I591 HydrophobicContact CG1-CG1 3.86Å; V563-F620 HydrophobicContact CG1-CD1 3.88Å; V563-F620 HydrophobicContact CG1-CE1 3.99Å; V563-V623 HydrophobicContact CG1-CG2 4.06Å; V563-V623 HydrophobicContact CG2-CG1 4.12Å
564V92.2Very high90.2Very high1 Ų145.6 Ų45.61%0.00622%0.221CC..EExtended strand (participates in β ladder)trans-132143-175.9-174.10000109.6G532 Y533 N566 L569 V570 F588 L589 P590 I591G532-V564 CarbonylContact O-C 3.57Å; G532-V564 WeakPolarHBondContact O-CA 3.48Å; G532-V564 WeakPolarHBondContact O-CG1 3.5Å; Y533-V564 HydrophobicContact CD2-CG2 4.1Å; V564-N566 PolarHBondContact O-N 3.33Å; V564-L569 HydrophobicContact CG1-CB 3.85Å; V564-L569 HydrophobicContact CG1-CD1 4.23Å; V564-V570 HydrophobicContact CB-CG2 3.79Å; V564-V570 HydrophobicContact CG1-CG2 3.83Å; V564-V570 HydrophobicContact CG2-CG2 4.02Å; V564-F588 HydrophobicContact CG2-CD1 3.63Å; V564-F588 HydrophobicContact CG2-CE1 4.29Å; V564-L589 PolarHBondContact N-O 3.18Å; V564-P590 CarbonylContact O-C 3.43Å; V564-P590 VanDerWaalsContact O-CA 3.3Å; V564-P590 WeakPolarHBondContact O-CA 3.44Å; V564-I591 WeakPolarHBondContact O-CG1 3.5Å; V564-I591 PolarHBondContact O-N 2.75Å
565Q90.5Very high90.2Very high85 Ų8547.3 Ų47.340%0.39724%0.238SC..SBendtrans-59.9-48.2-175.8-169.565.421.900112.9G532 H534 L569 N592G532-Q565 WeakPolarHBondContact O-CB 3.46Å; G532-Q565 PolarHBondContact O-N 3.29Å; H534-Q565 PolarHBondContact NE2-OE1 2.98Å; Q565-L569 HydrophobicContact CB-CD1 4.35Å; Q565-N592 PolarHBondContact O-N 3.12Å
566N89.3Confident90.2Very high67 Ų6748 Ų4836%0.35824%0.24SC..  trans-137.3143.1-173.8-83.5-31.9000112.5V564 K568 L569 V570 N592V564-N566 PolarHBondContact O-N 3.33Å; N566-K568 VanDerWaalsContact C-N 3.26Å; N566-K568 PolarHBondContact O-N 3.37Å; N566-L569 HydrophobicContact CB-CG 4.38Å; N566-L569 WeakPolarHBondContact O-CB 3.46Å; N566-L569 PolarHBondContact O-N 2.65Å; N566-V570 PolarHBondContact O-N 3.43Å; N566-N592 WeakPolarHBondContact CA-OD1 3.39Å; N566-N592 WeakPolarHBondContact OD1-CB 3.48Å; N566-N592 PolarHBondContact OD1-ND2 2.75Å; N566-N592 VanDerWaalsContact OD1-ND2 3.17Å
567D90.2Very high90.3Very high30 Ų3047.2 Ų47.216%0.1623%0.23CC..Hα-helixtrans-54.6-33.717265.4-27.8000114.5L569 V570 I571 P590 N592 R593D567-L569 VanDerWaalsContact C-N 3.26Å; D567-L569 PolarHBondContact O-N 3.35Å; D567-V570 WeakPolarHBondContact O-CB 3.33Å; D567-V570 PolarHBondContact O-N 2.92Å; D567-I571 WeakPolarHBondContact O-CG1 3.34Å; D567-I571 PolarHBondContact O-N 3.44Å; D567-P590 HydrophobicContact CB-CB 4.11Å; D567-P590 HydrophobicContact CB-CG 4.49Å; D567-N592 PolarHBondContact N-OD1 2.79Å; D567-N592 PolarHBondContact OD1-ND2 2.9Å; D567-R593 HydrophobicContact CB-CG 3.94Å; D567-R593 IonicContact OD2-CZ 3.95Å; D567-R593 IonicContact OD2-NE 3.59Å; D567-R593 PolarHBondContact OD2-NE 2.91Å; D567-R593 IonicContact OD2-NH2 3.12Å; D567-R593 PolarHBondContact OD2-NH2 2.88Å
568K90Very high90.4Very high155 Ų15549.5 Ų49.567%0.67424%0.238SC*.Hα-helixtrans-57.7-37.5174.1-69.2-176.3-179.9177.80113N566 R572N566-K568 VanDerWaalsContact C-N 3.26Å; N566-K568 PolarHBondContact O-N 3.37Å; K568-R572 PolarHBondContact O-N 2.82Å
569L90.5Very high90.4Very high17 Ų1750.9 Ų50.99%0.08925%0.247CC..Hα-helixtrans-70.7-42.7178-57.3177.9000110D528 I529 V564 Q565 N566 D567 I571 R572 M573D528-L569 HydrophobicContact CB-CD2 4.12Å; D528-L569 WeakPolarHBondContact O-CD1 3.29Å; I529-L569 HydrophobicContact CG1-CD2 3.81Å; V564-L569 HydrophobicContact CG1-CB 3.85Å; V564-L569 HydrophobicContact CG1-CD1 4.23Å; Q565-L569 HydrophobicContact CB-CD1 4.35Å; N566-L569 HydrophobicContact CB-CG 4.38Å; N566-L569 WeakPolarHBondContact O-CB 3.46Å; N566-L569 PolarHBondContact O-N 2.65Å; D567-L569 VanDerWaalsContact C-N 3.26Å; D567-L569 PolarHBondContact O-N 3.35Å; L569-I571 VanDerWaalsContact C-N 3.31Å; L569-I571 PolarHBondContact O-N 2.86Å; L569-R572 WeakPolarHBondContact O-CB 3.31Å; L569-R572 PolarHBondContact O-N 2.89Å; L569-R572 VanDerWaalsContact O-N 3.1Å; L569-M573 WeakPolarHBondContact O-CG 3.18Å; L569-M573 PolarHBondContact O-N 3.22Å
570V89.6Confident90.4Very high14 Ų1454.3 Ų54.39%0.08526%0.262CS..Hα-helixtrans-55.4-45.8174.8177.40000111.3V564 N566 D567 R572 M573 I574 F588 P590V564-V570 HydrophobicContact CB-CG2 3.79Å; V564-V570 HydrophobicContact CG1-CG2 3.83Å; V564-V570 HydrophobicContact CG2-CG2 4.02Å; N566-V570 PolarHBondContact O-N 3.43Å; D567-V570 WeakPolarHBondContact O-CB 3.33Å; D567-V570 PolarHBondContact O-N 2.92Å; V570-R572 VanDerWaalsContact C-N 3.31Å; V570-R572 PolarHBondContact O-N 3.26Å; V570-M573 PolarHBondContact O-N 3.44Å; V570-I574 HydrophobicContact CG1-CD1 3.7Å; V570-I574 HydrophobicContact CG1-CG1 4.29Å; V570-I574 WeakPolarHBondContact O-CG1 3.08Å; V570-I574 PolarHBondContact O-N 2.83Å; V570-F588 HydrophobicContact CB-CB 4.47Å; V570-F588 HydrophobicContact CB-CG 4.49Å; V570-F588 HydrophobicContact CG1-CB 3.74Å; V570-F588 HydrophobicContact CG1-CD1 4.48Å; V570-F588 HydrophobicContact CG1-CD2 3.59Å; V570-F588 HydrophobicContact CG1-CE2 4.29Å; V570-F588 HydrophobicContact CG1-CG 3.69Å; V570-F588 HydrophobicContact CG2-CB 3.85Å; V570-F588 HydrophobicContact CG2-CD1 4.35Å; V570-F588 HydrophobicContact CG2-CG 4.12Å; V570-P590 HydrophobicContact CG2-CB 4.33Å
571I90.6Very high90.2Very high111 Ų11160.8 Ų60.857%0.56930%0.297SS*.Hα-helixtrans-58.7-42.8177.9-66.9166000111.2D567 L569 A575D567-I571 WeakPolarHBondContact O-CG1 3.34Å; D567-I571 PolarHBondContact O-N 3.44Å; L569-I571 VanDerWaalsContact C-N 3.31Å; L569-I571 PolarHBondContact O-N 2.86Å; I571-A575 WeakPolarHBondContact O-CB 3.46Å; I571-A575 PolarHBondContact O-N 2.85Å
572R89.2Confident90Very high137 Ų13759.6 Ų59.652%0.51730%0.295SS..Hα-helixtrans-66.6-41.9177.4-70.2-176.2-179.61761.1112.1I529 K568 L569 V570 A575 E576I529-R572 HydrophobicContact CD1-CB 4.06Å; K568-R572 PolarHBondContact O-N 2.82Å; L569-R572 WeakPolarHBondContact O-CB 3.31Å; L569-R572 PolarHBondContact O-N 2.89Å; L569-R572 VanDerWaalsContact O-N 3.1Å; V570-R572 VanDerWaalsContact C-N 3.31Å; V570-R572 PolarHBondContact O-N 3.26Å; R572-A575 PolarHBondContact O-N 3.02Å; R572-E576 PolarHBondContact O-N 3.2Å
573M89.4Confident89.7Confident1 Ų163.1 Ų63.11%0.00532%0.318CS..Hα-helixtrans-62.1-48177.2-6617897.900110.7V512 V515 V516 I529 Y533 L569 V570 A575 E576 I577 F588V512-M573 HydrophobicContact CG1-CE 3.88Å; V515-M573 HydrophobicContact CG1-CB 4.35Å; V515-M573 HydrophobicContact CG1-CG 4.41Å; V516-M573 HydrophobicContact CG2-CE 3.39Å; I529-M573 HydrophobicContact CG2-CE 4.31Å; I529-M573 HydrophobicContact CG2-CG 3.98Å; I529-M573 HydrophobicContact CG2-SD 4.27Å; Y533-M573 HydrophobicContact CD2-CE 3.82Å; Y533-M573 HydrophobicContact CD2-SD 4.43Å; Y533-M573 HydrophobicContact CE2-CE 4.36Å; Y533-M573 HydrophobicContact CG-CE 4.35Å; L569-M573 WeakPolarHBondContact O-CG 3.18Å; L569-M573 PolarHBondContact O-N 3.22Å; V570-M573 PolarHBondContact O-N 3.44Å; M573-A575 VanDerWaalsContact C-N 3.32Å; M573-A575 PolarHBondContact O-N 3.31Å; M573-E576 PolarHBondContact O-N 3.35Å; M573-I577 VanDerWaalsContact O-CG1 3.28Å; M573-I577 WeakPolarHBondContact O-CG1 3.29Å; M573-I577 PolarHBondContact O-N 2.97Å; M573-F588 HydrophobicContact CB-CZ 4.33Å; M573-F588 HydrophobicContact SD-CE1 4.09Å
574I90.3Very high89.2Confident63 Ų6365 Ų6532%0.32334%0.337SS..Hα-helixtrans-61.1-40.7176.5-67.4172.4000111.2V570 E576 I577 N578 F588V570-I574 HydrophobicContact CG1-CD1 3.7Å; V570-I574 HydrophobicContact CG1-CG1 4.29Å; V570-I574 WeakPolarHBondContact O-CG1 3.08Å; V570-I574 PolarHBondContact O-N 2.83Å; I574-E576 VanDerWaalsContact C-N 3.33Å; I574-E576 PolarHBondContact O-N 3.16Å; I574-I577 PolarHBondContact O-N 3.31Å; I574-N578 WeakPolarHBondContact O-CB 3.38Å; I574-N578 VanDerWaalsContact O-CG 3.29Å; I574-N578 PolarHBondContact O-N 3.13Å; I574-N578 PolarHBondContact O-ND2 3.49Å; I574-F588 HydrophobicContact CD1-CD2 4.26Å; I574-F588 HydrophobicContact CD1-CE2 4.3Å; I574-F588 HydrophobicContact CG1-CD2 4.31Å; I574-F588 HydrophobicContact CG1-CE2 3.85Å
575A90.3Very high88.8Confident53 Ų5371.6 Ų71.644%0.43837%0.368SS..Hα-helixtrans-60.9-42.1176.600000111.9I571 R572 M573 K579I571-A575 WeakPolarHBondContact O-CB 3.46Å; I571-A575 PolarHBondContact O-N 2.85Å; R572-A575 PolarHBondContact O-N 3.02Å; M573-A575 VanDerWaalsContact C-N 3.32Å; M573-A575 PolarHBondContact O-N 3.31Å; A575-K579 WeakPolarHBondContact O-CB 3.34Å; A575-K579 PolarHBondContact O-N 3.18Å
576E89.5Confident88.8Confident18 Ų1869.2 Ų69.28%0.08436%0.359CS..Hα-helixtrans-72.3-37178.2-155.965.1-170.500111.3V515 F519 R522 R572 M573 I574 N578 K579 H580V515-E576 HydrophobicContact CG1-CB 4.02Å; V515-E576 HydrophobicContact CG1-CG 4.36Å; V515-E576 HydrophobicContact CG2-CB 4.32Å; V515-E576 HydrophobicContact CG2-CG 4.45Å; F519-E576 HydrophobicContact CE2-CB 4.08Å; F519-E576 HydrophobicContact CE2-CG 4.12Å; F519-E576 HydrophobicContact CZ-CB 4.41Å; F519-E576 HydrophobicContact CZ-CG 4.4Å; R522-E576 IonicContact CZ-OE1 3.96Å; R522-E576 IonicContact NH1-OE1 3.59Å; R522-E576 PolarHBondContact NH1-OE1 3.36Å; R522-E576 IonicContact NH2-OE1 2.86Å; R572-E576 PolarHBondContact O-N 3.2Å; M573-E576 PolarHBondContact O-N 3.35Å; I574-E576 VanDerWaalsContact C-N 3.33Å; I574-E576 PolarHBondContact O-N 3.16Å; E576-N578 PolarHBondContact O-N 2.91Å; E576-K579 PolarHBondContact O-N 2.95Å; E576-K579 IonicContact OE1-NZ 3.55Å; E576-K579 WeakPolarHBondContact OE2-CD 3.45Å; E576-K579 IonicContact OE2-NZ 3.69Å; E576-H580 PolarHBondContact O-CD2 2.83Å; E576-H580 PolarHBondContact O-N 3.43Å; E576-H580 VanDerWaalsContact O-N 3.08Å; E576-H580 IonicContact OE1-CD2 3.45Å; E576-H580 IonicContact OE1-CE1 3.13Å; E576-H580 IonicContact OE1-NE2 3.94Å; E576-H580 PolarHBondContact OE1-NE2 3.46Å
577I89.5Confident88.8Confident9 Ų969 Ų695%0.04636%0.358CS..Hα-helixtrans-56.9-50.7171.6-69.6172.9000110.7V512 V515 M573 I574 H580 N581 L582 V586 F588V512-I577 HydrophobicContact CG2-CD1 4.19Å; V515-I577 HydrophobicContact CG2-CG1 3.69Å; M573-I577 VanDerWaalsContact O-CG1 3.28Å; M573-I577 WeakPolarHBondContact O-CG1 3.29Å; M573-I577 PolarHBondContact O-N 2.97Å; I574-I577 PolarHBondContact O-N 3.31Å; I577-H580 PolarHBondContact O-N 3.44Å; I577-N581 PolarHBondContact O-N 3.41Å; I577-L582 HydrophobicContact CG2-CB 4.18Å; I577-L582 PolarHBondContact O-N 2.99Å; I577-L582 VanDerWaalsContact O-N 3.09Å; I577-V586 HydrophobicContact CD1-CB 4.45Å; I577-V586 HydrophobicContact CD1-CG1 4.09Å; I577-V586 HydrophobicContact CD1-CG2 3.93Å; I577-F588 HydrophobicContact CD1-CZ 4.44Å
578N89.8Confident88.9Confident106 Ų10668.9 Ų68.957%0.56736%0.356SS*.Hα-helixtrans-65.7-39.8179.8-71.8-20000111.8I574 E576 H580 N581I574-N578 WeakPolarHBondContact O-CB 3.38Å; I574-N578 VanDerWaalsContact O-CG 3.29Å; I574-N578 PolarHBondContact O-N 3.13Å; I574-N578 PolarHBondContact O-ND2 3.49Å; E576-N578 PolarHBondContact O-N 2.91Å; N578-H580 VanDerWaalsContact C-N 3.27Å; N578-H580 PolarHBondContact O-N 3.44Å; N578-N581 PolarHBondContact O-N 2.77Å; N578-N581 PolarHBondContact O-OD1 2.82Å
579K89.5Confident89Confident135 Ų13562 Ų6259%0.58733%0.327SS*.Hα-helixtrans-61-35.9178.1-179.4-176.8174.6-171.70112.6A575 E576A575-K579 WeakPolarHBondContact O-CB 3.34Å; A575-K579 PolarHBondContact O-N 3.18Å; E576-K579 PolarHBondContact O-N 2.95Å; E576-K579 IonicContact OE1-NZ 3.55Å; E576-K579 WeakPolarHBondContact OE2-CD 3.45Å; E576-K579 IonicContact OE2-NZ 3.69Å
580H88.8Confident89.1Confident72 Ų7262.5 Ų62.533%0.33333%0.331SS..THydrogen-bonded Turntrans-94.15.9178.8-67.1-67.4000113.6E576 I577 N578 L582E576-H580 PolarHBondContact O-CD2 2.83Å; E576-H580 PolarHBondContact O-N 3.43Å; E576-H580 VanDerWaalsContact O-N 3.08Å; E576-H580 IonicContact OE1-CD2 3.45Å; E576-H580 IonicContact OE1-CE1 3.13Å; E576-H580 IonicContact OE1-NE2 3.94Å; E576-H580 PolarHBondContact OE1-NE2 3.46Å; I577-H580 PolarHBondContact O-N 3.44Å; N578-H580 VanDerWaalsContact C-N 3.27Å; N578-H580 PolarHBondContact O-N 3.44Å; H580-L582 HydrophobicContact CB-CD1 4.23Å; H580-L582 HydrophobicContact CB-CD2 3.88Å; H580-L582 HydrophobicContact CB-CG 3.72Å; H580-L582 PolarHBondContact O-N 2.58Å
581N87Confident89.1Confident148 Ų14863.9 Ų63.979%0.79134%0.337SS*.THydrogen-bonded Turntrans48.742.1-175.6-67.1-41.4000112.9I577 N578I577-N581 PolarHBondContact O-N 3.41Å; N578-N581 PolarHBondContact O-N 2.77Å; N578-N581 PolarHBondContact O-OD1 2.82Å
582L88.7Confident89Confident26 Ų2661.9 Ų61.914%0.13633%0.328CS..  trans-75134.2-176.7-56.4176.6000110.6S511 K514 V515 I577 H580S511-L582 VanDerWaalsContact OG-CB 3.32Å; S511-L582 WeakPolarHBondContact OG-CB 3.47Å; K514-L582 HydrophobicContact CD-CD1 4.38Å; K514-L582 HydrophobicContact CD-CD2 4Å; V515-L582 HydrophobicContact CG2-CD1 3.74Å; I577-L582 HydrophobicContact CG2-CB 4.18Å; I577-L582 PolarHBondContact O-N 2.99Å; I577-L582 VanDerWaalsContact O-N 3.09Å; H580-L582 HydrophobicContact CB-CD1 4.23Å; H580-L582 HydrophobicContact CB-CD2 3.88Å; H580-L582 HydrophobicContact CB-CG 3.72Å; H580-L582 PolarHBondContact O-N 2.58Å
583P85.7Confident88.9Confident78 Ų7863.1 Ų63.151%0.50633%0.333SS..  trans-79155-174.331.5-35000112.7N507 S511N507-P583 CarbonylContact C-O 3.5Å; N507-P583 HydrophobicContact CB-CB 4.3Å; N507-P583 HydrophobicContact CB-CG 4.24Å; N507-P583 WeakPolarHBondContact CB-O 3.3Å; S511-P583 PolarHBondContact OG-O 3.43Å
584G83.1Confident88.7Confident40 Ų4064.9 Ų64.941%0.41234%0.341SS..SBendtrans113.8173.4168.100000114.3G504G504-G584 VanDerWaalsContact O-CA 3.29Å; G504-G584 WeakPolarHBondContact O-CA 3.34Å
585E83.8Confident88.2Confident138 Ų13867.8 Ų67.865%0.64537%0.366SS*.  trans-103.3120.1-179.1-67.2-179.1-17800109.5G504G504-E585 PolarHBondContact O-N 2.7Å
586V89.2Confident87.7Confident36 Ų3667.7 Ų67.722%0.21836%0.36CS..  trans-113.5126.9180-65.80000110G508 V512 I577 F588G508-V586 WeakPolarHBondContact O-CG1 3.42Å; V512-V586 HydrophobicContact CG2-CB 4.16Å; V512-V586 HydrophobicContact CG2-CG1 3.56Å; I577-V586 HydrophobicContact CD1-CB 4.45Å; I577-V586 HydrophobicContact CD1-CG1 4.09Å; I577-V586 HydrophobicContact CD1-CG2 3.93Å; V586-F588 HydrophobicContact CB-CE2 3.87Å; V586-F588 HydrophobicContact CB-CZ 4.26Å; V586-F588 HydrophobicContact CG2-CE2 3.76Å; V586-F588 HydrophobicContact CG2-CZ 4.45Å
587N90.7Very high86.9Confident61 Ų6174.9 Ų74.933%0.32639%0.394SS..  trans-121.8127.7178.7-68.4-66.8000108.9Y561 H562Y561-N587 WeakPolarHBondContact CA-O 3.4Å; Y561-N587 HydrophobicContact CD1-CB 3.28Å; Y561-N587 HydrophobicContact CD2-CB 3.85Å; Y561-N587 HydrophobicContact CE1-CB 3.27Å; Y561-N587 VanDerWaalsContact CE1-ND2 3.31Å; Y561-N587 WeakPolarHBondContact CE1-ND2 3.41Å; Y561-N587 HydrophobicContact CE2-CB 3.84Å; Y561-N587 HydrophobicContact CG-CB 3.59Å; H562-N587 PolarHBondContact N-O 3.15Å
588F92.4Very high86Confident29 Ų2980.2 Ų80.213%0.12742%0.418CS..EExtended strand (participates in β ladder)trans-117.2145.7-176.9-64-82.7000111.2V512 H562 V564 V570 M573 I574 I577 V586 P590V512-F588 HydrophobicContact CG1-CE1 4.29Å; V512-F588 HydrophobicContact CG2-CE1 4.14Å; V512-F588 HydrophobicContact CG2-CZ 3.75Å; H562-F588 HydrophobicContact CB-CD1 3.47Å; H562-F588 VanDerWaalsContact CB-CD1 3.47Å; H562-F588 HydrophobicContact CB-CE1 3.78Å; H562-F588 HydrophobicContact CB-CG 4.39Å; H562-F588 CarbonylContact O-C 3.42Å; H562-F588 VanDerWaalsContact O-CA 3.31Å; H562-F588 WeakPolarHBondContact O-CA 3.35Å; V564-F588 HydrophobicContact CG2-CD1 3.63Å; V564-F588 HydrophobicContact CG2-CE1 4.29Å; V570-F588 HydrophobicContact CB-CB 4.47Å; V570-F588 HydrophobicContact CB-CG 4.49Å; V570-F588 HydrophobicContact CG1-CB 3.74Å; V570-F588 HydrophobicContact CG1-CD1 4.48Å; V570-F588 HydrophobicContact CG1-CD2 3.59Å; V570-F588 HydrophobicContact CG1-CE2 4.29Å; V570-F588 HydrophobicContact CG1-CG 3.69Å; V570-F588 HydrophobicContact CG2-CB 3.85Å; V570-F588 HydrophobicContact CG2-CD1 4.35Å; V570-F588 HydrophobicContact CG2-CG 4.12Å; M573-F588 HydrophobicContact CB-CZ 4.33Å; M573-F588 HydrophobicContact SD-CE1 4.09Å; I574-F588 HydrophobicContact CD1-CD2 4.26Å; I574-F588 HydrophobicContact CD1-CE2 4.3Å; I574-F588 HydrophobicContact CG1-CD2 4.31Å; I574-F588 HydrophobicContact CG1-CE2 3.85Å; I577-F588 HydrophobicContact CD1-CZ 4.44Å; V586-F588 HydrophobicContact CB-CE2 3.87Å; V586-F588 HydrophobicContact CB-CZ 4.26Å; V586-F588 HydrophobicContact CG2-CE2 3.76Å; V586-F588 HydrophobicContact CG2-CZ 4.45Å; F588-P590 VanDerWaalsContact C-CD 3.49Å; F588-P590 VanDerWaalsContact O-CD 3.28Å; F588-P590 WeakPolarHBondContact O-CD 3.31Å
589L91.8Very high85.4Confident11 Ų1176.9 Ų76.96%0.05840%0.403CS..EExtended strand (participates in β ladder)trans-115.585.6174.7-71.4163.4000108.7Y561 H562 V563 V564 I591 L594 V623 I627Y561-L589 HydrophobicContact CD2-CD1 4.07Å; Y561-L589 HydrophobicContact CD2-CD2 4.26Å; Y561-L589 HydrophobicContact CD2-CG 4.03Å; Y561-L589 HydrophobicContact CG-CD1 4.33Å; H562-L589 PolarHBondContact O-N 3.29Å; V563-L589 HydrophobicContact CG2-CB 4.42Å; V563-L589 HydrophobicContact CG2-CD1 4.42Å; V564-L589 PolarHBondContact N-O 3.18Å; L589-I591 PolarHBondContact O-N 3.21Å; L589-L594 HydrophobicContact CD2-CD2 4.22Å; L589-V623 HydrophobicContact CD1-CG1 3.82Å; L589-I627 HydrophobicContact CD1-CD1 3.86Å
590P91.7Very high85Confident26 Ų2676 Ų7617%0.16941%0.414CS..EExtended strand (participates in β ladder)trans-70.2112.3175.623.7-28.9000110.7V564 D567 V570 F588 N592 R593V564-P590 CarbonylContact O-C 3.43Å; V564-P590 VanDerWaalsContact O-CA 3.3Å; V564-P590 WeakPolarHBondContact O-CA 3.44Å; D567-P590 HydrophobicContact CB-CB 4.11Å; D567-P590 HydrophobicContact CB-CG 4.49Å; V570-P590 HydrophobicContact CG2-CB 4.33Å; F588-P590 VanDerWaalsContact C-CD 3.49Å; F588-P590 VanDerWaalsContact O-CD 3.28Å; F588-P590 WeakPolarHBondContact O-CD 3.31Å; P590-N592 PolarHBondContact O-N 3.35Å; P590-R593 HydrophobicContact CB-CB 4.39Å; P590-R593 HydrophobicContact CB-CG 4.37Å; P590-R593 HydrophobicContact CG-CB 4.03Å; P590-R593 HydrophobicContact CG-CG 4.22Å; P590-R593 PolarHBondContact O-N 3.42Å
591I90.2Very high84.7Confident43 Ų4375.6 Ų75.622%0.22141%0.41CS..G310 helixtrans-53.9-41.6-176.1-63.2172.6000110.9V563 V564 L589 R593 L594 F620 V623V563-I591 HydrophobicContact CG1-CD1 3.86Å; V563-I591 HydrophobicContact CG1-CG1 3.86Å; V564-I591 WeakPolarHBondContact O-CG1 3.5Å; V564-I591 PolarHBondContact O-N 2.75Å; L589-I591 PolarHBondContact O-N 3.21Å; I591-R593 PolarHBondContact O-N 2.75Å; I591-R593 VanDerWaalsContact O-N 3.17Å; I591-L594 PolarHBondContact O-N 3.07Å; I591-F620 HydrophobicContact CD1-CD1 3.98Å; I591-F620 HydrophobicContact CD1-CE1 3.95Å; I591-V623 HydrophobicContact CG1-CG2 4.29Å
592N89.2Confident84.4Confident70 Ų7069.4 Ų69.437%0.37438%0.378SS..G310 helixtrans-66.6-13.2-179.274.5-36.7000115.7Q565 N566 D567 P590Q565-N592 PolarHBondContact O-N 3.12Å; N566-N592 WeakPolarHBondContact CA-OD1 3.39Å; N566-N592 WeakPolarHBondContact OD1-CB 3.48Å; N566-N592 PolarHBondContact OD1-ND2 2.75Å; N566-N592 VanDerWaalsContact OD1-ND2 3.17Å; D567-N592 PolarHBondContact N-OD1 2.79Å; D567-N592 PolarHBondContact OD1-ND2 2.9Å; P590-N592 PolarHBondContact O-N 3.35Å
593R87Confident83.9Confident163 Ų16378 Ų7862%0.61542%0.417SS*.G310 helixtrans-107.6-6.3-179.6-68.1-65.7-168.41671.2113.7D567 P590 I591 C595D567-R593 HydrophobicContact CB-CG 3.94Å; D567-R593 IonicContact OD2-CZ 3.95Å; D567-R593 IonicContact OD2-NE 3.59Å; D567-R593 PolarHBondContact OD2-NE 2.91Å; D567-R593 IonicContact OD2-NH2 3.12Å; D567-R593 PolarHBondContact OD2-NH2 2.88Å; P590-R593 HydrophobicContact CB-CB 4.39Å; P590-R593 HydrophobicContact CB-CG 4.37Å; P590-R593 HydrophobicContact CG-CB 4.03Å; P590-R593 HydrophobicContact CG-CG 4.22Å; P590-R593 PolarHBondContact O-N 3.42Å; I591-R593 PolarHBondContact O-N 2.75Å; I591-R593 VanDerWaalsContact O-N 3.17Å; R593-C595 PolarHBondContact O-N 3.49Å; R593-C595 VanDerWaalsContact O-N 3.12Å
594L84.8Confident83.6Confident37 Ų3776.8 Ų76.819%0.19441%0.409CS..  trans-76.2101.9-177.6-70.2171.9000110.7L589 I591 V596 V623 H626L589-L594 HydrophobicContact CD2-CD2 4.22Å; I591-L594 PolarHBondContact O-N 3.07Å; L594-V596 HydrophobicContact CB-CG2 4.35Å; L594-V623 HydrophobicContact CD1-CB 4.19Å; L594-V623 HydrophobicContact CD1-CG2 3.57Å; L594-H626 HydrophobicContact CD2-CB 4.31Å
595C80.5Confident83.4Confident125 Ų12582.5 Ų82.585%0.84543%0.43SS*.  trans-89.4106.9169.7-64.60000109.3R593R593-C595 PolarHBondContact O-N 3.49Å; R593-C595 VanDerWaalsContact O-N 3.12Å
596V78.4Confident83.5Confident50 Ų5079.1 Ų79.130%0.30342%0.416SS..  trans-123.3131.5-178.7-166.20000110.7L594 G622 L625 H626L594-V596 HydrophobicContact CB-CG2 4.35Å; V596-G622 WeakPolarHBondContact CG2-O 3.39Å; V596-L625 HydrophobicContact CB-CB 4.4Å; V596-L625 HydrophobicContact CG1-CB 3.51Å; V596-H626 HydrophobicContact CG2-CB 3.86Å
597Q73.5Confident83.3Confident169 Ų16977.8 Ų77.879%0.7941%0.409SS*.PPolyproline II helixtrans-101.8124.8171.5-70.9-178.6-27.500108.6S599Q597-S599 PolarHBondContact O-N 2.97Å
598E71.3Confident83.3Confident122 Ų12277.4 Ų77.457%0.5741%0.406SS*.PPolyproline II helixtrans-64126.7170.5-75.3-177.4-160.100109.7R621 L625E598-R621 VanDerWaalsContact CD-NH2 3.33Å; E598-R621 IonicContact OE1-CZ 3.06Å; E598-R621 IonicContact OE1-NH1 3.89Å; E598-R621 PolarHBondContact OE1-NH1 3.46Å; E598-R621 IonicContact OE1-NH2 3.28Å; E598-R621 PolarHBondContact OE1-NH2 2.9Å; E598-R621 IonicContact OE2-NH2 3.64Å; E598-L625 HydrophobicContact CG-CD1 3.87Å; E598-L625 HydrophobicContact CG-CD2 4.27Å
599S75.3Confident83.2Confident36 Ų3677.4 Ų77.425%0.25241%0.409SS..PPolyproline II helixtrans-93.6140179.8-55.60000109Q597 Y601Q597-S599 PolarHBondContact O-N 2.97Å; S599-Y601 PolarHBondContact O-N 3.36Å
600S81.1Confident83.1Confident115 Ų11576.9 Ų76.980%0.80441%0.406SS*.PPolyproline II helixtrans-71117.6170.9176.30000109.2F649S600-F649 WeakPolarHBondContact O-CZ 3.48Å
601Y84.4Confident83Confident64 Ų6476.8 Ų76.825%0.25140%0.404SS..PPolyproline II helixtrans-78.2140.2-179.9-63.3-73.9000111.1S599 P609 I611 G629 L632 F649S599-Y601 PolarHBondContact O-N 3.36Å; Y601-P609 HydrophobicContact CD1-CB 3.66Å; Y601-P609 HydrophobicContact CD1-CG 3.72Å; Y601-P609 HydrophobicContact CD2-CB 4.36Å; Y601-P609 HydrophobicContact CD2-CG 4.2Å; Y601-P609 HydrophobicContact CE1-CB 3.83Å; Y601-P609 HydrophobicContact CE1-CG 4.38Å; Y601-P609 HydrophobicContact CE2-CB 4.5Å; Y601-P609 HydrophobicContact CG-CB 3.96Å; Y601-P609 HydrophobicContact CG-CG 3.62Å; Y601-I611 HydrophobicContact CE2-CG2 4.39Å; Y601-G629 WeakPolarHBondContact CE1-O 3.14Å; Y601-G629 PolarHBondContact OH-O 2.94Å; Y601-L632 HydrophobicContact CD1-CD2 4.14Å; Y601-F649 AromaticContact CD1-CE1 3.91Å; Y601-F649 HydrophobicContact CD1-CE1 3.91Å; Y601-F649 HydrophobicContact CD1-CZ 4.2Å; Y601-F649 AromaticContact CE1-CE1 3.97Å; Y601-F649 HydrophobicContact CE1-CE1 3.97Å
602P80Confident82.9Confident19 Ų1978.3 Ų78.312%0.12342%0.418CS..PPolyproline II helixtrans-68.5132175.526.2-31.5000111.7T604 L632 K647P602-T604 VanDerWaalsContact C-N 3.33Å; P602-T604 PolarHBondContact O-N 2.68Å; P602-L632 HydrophobicContact CG-CD1 3.48Å; P602-L632 VanDerWaalsContact CG-CD1 3.48Å; P602-L632 HydrophobicContact CG-CD2 4.35Å; P602-K647 HydrophobicContact CB-CD 4.36Å; P602-K647 HydrophobicContact CB-CG 4.22Å; P602-K647 HydrophobicContact CG-CG 4.46Å
603E77.8Confident82.9Confident205 Ų20580.8 Ų80.896%0.95842%0.422SS*.  trans-78.977.9171.8-64.8177.8-175.900110.1
604T79.2Confident83Confident54 Ų5473.5 Ų73.533%0.33140%0.396SS..  trans-124.2132.9177.232.10000110.7P602 D606 A607P602-T604 VanDerWaalsContact C-N 3.33Å; P602-T604 PolarHBondContact O-N 2.68Å; T604-D606 PolarHBondContact O-N 2.91Å; T604-A607 PolarHBondContact O-N 3.16Å
605N80.3Confident83.3Confident160 Ų16076.7 Ų76.786%0.85641%0.413SS*.THydrogen-bonded Turntrans-65.5-19.6179.1-74.3-14.4000113.8
606D84.7Confident83.7Confident67 Ų6773.6 Ų73.636%0.35839%0.385SS..THydrogen-bonded Turntrans-951.1-176.7-58.9-50.8000113.9T604 R635 I639T604-D606 PolarHBondContact O-N 2.91Å; D606-R635 PolarHBondContact O-N 3.11Å; D606-R635 IonicContact OD1-CZ 3.71Å; D606-R635 IonicContact OD1-NH1 2.76Å; D606-R635 PolarHBondContact OD1-NH1 3.42Å; D606-R635 VanDerWaalsContact OD1-NH1 3.16Å; D606-R635 IonicContact OD1-NH2 2.68Å; D606-I639 HydrophobicContact CB-CD1 3.94Å; D606-I639 HydrophobicContact CB-CG2 4.02Å
607A86Confident84.2Confident7 Ų774.7 Ų74.76%0.05839%0.389CS..EExtended strand (participates in β ladder)trans-142.4140.3176.800000113.2T604 L632 I633 L643T604-A607 PolarHBondContact O-N 3.16Å; A607-L632 HydrophobicContact CB-CB 4.48Å; A607-I633 CarbonylContact C-O 3.38Å; A607-I633 WeakPolarHBondContact CA-O 3.45Å; A607-L643 HydrophobicContact CB-CD1 3.49Å; A607-L643 VanDerWaalsContact CB-CD1 3.49Å
608I90.4Very high84.8Confident54 Ų5474.2 Ų74.228%0.27739%0.387SS..EExtended strand (participates in β ladder)trans-120.5140.8177.458.5179.7000110.8F547 M610 R613 I633F547-I608 HydrophobicContact CE1-CD1 3.94Å; F547-I608 HydrophobicContact CZ-CD1 4.08Å; I608-M610 PolarHBondContact O-N 3.26Å; I608-R613 HydrophobicContact CD1-CG 4.27Å; I608-I633 HydrophobicContact CD1-CB 4.42Å; I608-I633 HydrophobicContact CG1-CB 3.79Å; I608-I633 HydrophobicContact CG1-CG2 4.42Å; I608-I633 PolarHBondContact N-O 2.89Å; I608-I633 PolarHBondContact O-N 2.99Å
609P90.4Very high85.6Confident28 Ų2875.7 Ų75.718%0.18239%0.392CS..EExtended strand (participates in β ladder)trans-63.1125.6172.6-23.134.9000111.4Y601 I611 S612 L632Y601-P609 HydrophobicContact CD1-CB 3.66Å; Y601-P609 HydrophobicContact CD1-CG 3.72Å; Y601-P609 HydrophobicContact CD2-CB 4.36Å; Y601-P609 HydrophobicContact CD2-CG 4.2Å; Y601-P609 HydrophobicContact CE1-CB 3.83Å; Y601-P609 HydrophobicContact CE1-CG 4.38Å; Y601-P609 HydrophobicContact CE2-CB 4.5Å; Y601-P609 HydrophobicContact CG-CB 3.96Å; Y601-P609 HydrophobicContact CG-CG 3.62Å; P609-I611 VanDerWaalsContact C-N 3.27Å; P609-I611 HydrophobicContact CB-CG2 4.35Å; P609-I611 PolarHBondContact O-N 2.78Å; P609-S612 WeakPolarHBondContact O-CB 3.26Å; P609-S612 PolarHBondContact O-N 3.17Å; P609-S612 VanDerWaalsContact O-N 3.1Å; P609-S612 PolarHBondContact O-OG 2.96Å; P609-L632 HydrophobicContact CG-CD2 4.38Å
610M90.1Very high86.3Confident1 Ų174.6 Ų74.61%0.00538%0.383CS..G310 helixtrans-57.4-41.9-179.1179.7168.1-76.500112S550 V551 T554 I608 S612 R613 L614 F628 T631 I633 I652S550-M610 WeakPolarHBondContact O-CE 3.33Å; V551-M610 HydrophobicContact CG2-CE 4.49Å; V551-M610 HydrophobicContact CG2-SD 4.28Å; T554-M610 HydrophobicContact CG2-CE 4.44Å; T554-M610 HydrophobicContact CG2-SD 3.83Å; T554-M610 WeakPolarHBondContact OG1-CE 3.38Å; I608-M610 PolarHBondContact O-N 3.26Å; M610-S612 PolarHBondContact O-N 2.93Å; M610-S612 VanDerWaalsContact O-N 3.09Å; M610-R613 PolarHBondContact O-N 3.23Å; M610-L614 HydrophobicContact CG-CD1 4.43Å; M610-F628 HydrophobicContact CG-CB 4.39Å; M610-F628 HydrophobicContact CG-CD1 4.3Å; M610-F628 HydrophobicContact SD-CB 4.43Å; M610-F628 HydrophobicContact SD-CD1 3.5Å; M610-F628 VanDerWaalsContact SD-CD1 3.5Å; M610-F628 HydrophobicContact SD-CE1 4.15Å; M610-F628 HydrophobicContact SD-CG 4.34Å; M610-T631 WeakPolarHBondContact CB-O 3.42Å; M610-T631 HydrophobicContact CE-CG2 4.02Å; M610-T631 PolarHBondContact N-O 2.7Å; M610-T631 HydrophobicContact SD-CG2 4.27Å; M610-I633 HydrophobicContact CB-CD1 4.18Å; M610-I633 HydrophobicContact CB-CG1 4.12Å; M610-I633 HydrophobicContact CE-CD1 3.87Å; M610-I633 HydrophobicContact CE-CG1 3.69Å; M610-I633 HydrophobicContact CG-CD1 4.22Å; M610-I652 HydrophobicContact CE-CG2 3.7Å
611I89.4Confident86.7Confident24 Ų2474 Ų7412%0.12336%0.363CS..G310 helixtrans-58.3-26.5-179.3-162.3168.3000113.7Y601 P609 R613 L614 F616 M624 L625Y601-I611 HydrophobicContact CE2-CG2 4.39Å; P609-I611 VanDerWaalsContact C-N 3.27Å; P609-I611 HydrophobicContact CB-CG2 4.35Å; P609-I611 PolarHBondContact O-N 2.78Å; I611-R613 PolarHBondContact O-N 3.49Å; I611-L614 PolarHBondContact O-N 3.25Å; I611-F616 HydrophobicContact CD1-CZ 4.26Å; I611-F616 HydrophobicContact CG1-CE1 4.01Å; I611-F616 HydrophobicContact CG1-CZ 4.07Å; I611-M624 HydrophobicContact CD1-CB 4.38Å; I611-L625 HydrophobicContact CD1-CB 4.42Å; I611-L625 HydrophobicContact CD1-CD2 3.36Å; I611-L625 HydrophobicContact CD1-CG 3.64Å
612S88.3Confident86.9Confident74 Ų7472.5 Ų72.552%0.51737%0.367SS..G310 helixtrans-71.7-13.3179.871.30000113.9P609 M610P609-S612 WeakPolarHBondContact O-CB 3.26Å; P609-S612 PolarHBondContact O-N 3.17Å; P609-S612 VanDerWaalsContact O-N 3.1Å; P609-S612 PolarHBondContact O-OG 2.96Å; M610-S612 PolarHBondContact O-N 2.93Å; M610-S612 VanDerWaalsContact O-N 3.09Å
613R88.3Confident87.4Confident122 Ų12271.7 Ų71.746%0.4636%0.361SS..G310 helixtrans-1093.6-179.7-59.6-58.9-176.4174.2-0.6113P544 F547 I608 M610 I611P544-R613 WeakPolarHBondContact CD-O 3.34Å; F547-R613 HydrophobicContact CD2-CB 4.29Å; F547-R613 HydrophobicContact CE2-CB 4.26Å; F547-R613 HydrophobicContact CE2-CG 4.1Å; F547-R613 HydrophobicContact CZ-CG 4.11Å; I608-R613 HydrophobicContact CD1-CG 4.27Å; M610-R613 PolarHBondContact O-N 3.23Å; I611-R613 PolarHBondContact O-N 3.49Å
614L89.9Confident88Confident11 Ų1161.9 Ų61.96%0.05832%0.316CS..  trans-101132.6178.5-57.7-178.7000109.9I541 C543 V551 M610 I611 F616 F628I541-L614 HydrophobicContact CD1-CD1 4.33Å; I541-L614 HydrophobicContact CD1-CD2 3.74Å; I541-L614 HydrophobicContact CG1-CD2 4.44Å; C543-L614 HydrophobicContact CB-CD2 3.69Å; V551-L614 HydrophobicContact CG1-CD2 4.4Å; V551-L614 HydrophobicContact CG2-CD2 3.77Å; M610-L614 HydrophobicContact CG-CD1 4.43Å; I611-L614 PolarHBondContact O-N 3.25Å; L614-F616 HydrophobicContact CB-CD1 3.92Å; L614-F616 HydrophobicContact CB-CE1 4.05Å; L614-F616 WeakPolarHBondContact O-CD1 3.32Å; L614-F628 HydrophobicContact CD1-CB 3.92Å; L614-F628 HydrophobicContact CD1-CD1 4.17Å; L614-F628 HydrophobicContact CD1-CD2 3.37Å; L614-F628 HydrophobicContact CD1-CE2 3.82Å; L614-F628 HydrophobicContact CD1-CG 3.56Å; L614-F628 HydrophobicContact CD1-CZ 4.37Å
615N89.9Confident88.5Confident104 Ų10460.1 Ų60.156%0.55630%0.304SS*.BIsolated β-bridgetrans-99.1128.2171.5-66.3-26.2000109.1D542D542-N615 HydrophobicContact CB-CB 4.22Å; D542-N615 PolarHBondContact N-O 3.22Å; D542-N615 PolarHBondContact O-N 2.96Å
616F89.2Confident88.9Confident59 Ų5957 Ų5726%0.25928%0.284SS..  trans-160.5159.3-178.753.7-93.5000110.9I611 L614 R621 M624I611-F616 HydrophobicContact CD1-CZ 4.26Å; I611-F616 HydrophobicContact CG1-CE1 4.01Å; I611-F616 HydrophobicContact CG1-CZ 4.07Å; L614-F616 HydrophobicContact CB-CD1 3.92Å; L614-F616 HydrophobicContact CB-CE1 4.05Å; L614-F616 WeakPolarHBondContact O-CD1 3.32Å; F616-R621 HydrophobicContact CE2-CB 3.95Å; F616-R621 HydrophobicContact CE2-CG 4.15Å; F616-M624 HydrophobicContact CB-CE 3.75Å; F616-M624 HydrophobicContact CB-CG 4.11Å; F616-M624 HydrophobicContact CD1-CB 4.24Å; F616-M624 HydrophobicContact CD1-CG 3.7Å; F616-M624 HydrophobicContact CD1-SD 4.48Å; F616-M624 HydrophobicContact CD2-CB 4.33Å; F616-M624 HydrophobicContact CD2-CG 3.65Å; F616-M624 HydrophobicContact CE1-CB 3.98Å; F616-M624 HydrophobicContact CE1-CG 3.96Å; F616-M624 HydrophobicContact CE2-CB 4.09Å; F616-M624 HydrophobicContact CE2-CG 3.93Å; F616-M624 HydrophobicContact CG-CB 4.41Å; F616-M624 HydrophobicContact CG-CE 4.25Å; F616-M624 HydrophobicContact CG-CG 3.54Å; F616-M624 HydrophobicContact CG-SD 4.46Å; F616-M624 HydrophobicContact CZ-CB 3.9Å; F616-M624 HydrophobicContact CZ-CG 4.07Å
617D88.6Confident89.2Confident73 Ų7354.3 Ų54.339%0.3927%0.27SS..  trans-67.6134.4173.1-174.9-20.7000110.2K619 F620D617-K619 PolarHBondContact O-N 3.2Å; D617-K619 VanDerWaalsContact O-N 3.08Å; D617-K619 WeakPolarHBondContact OD1-CG 3.41Å; D617-K619 PolarHBondContact OD1-N 3.39Å; D617-K619 IonicContact OD2-NZ 2.61Å; D617-F620 HydrophobicContact CB-CD2 3.8Å; D617-F620 HydrophobicContact CB-CE2 3.95Å; D617-F620 PolarHBondContact O-N 3.47Å
618E87.2Confident89.4Confident160 Ų16054 Ų5475%0.74827%0.267SS*.G310 helixtrans-54-29.5-179.8-167.9173.1-168.800112.8F620 R621E618-F620 PolarHBondContact O-N 2.89Å; E618-F620 VanDerWaalsContact O-N 3.15Å; E618-R621 WeakPolarHBondContact O-CB 3.39Å; E618-R621 PolarHBondContact O-N 2.82Å
619K87.2Confident89.3Confident152 Ų15251.5 Ų51.566%0.66126%0.255SS*.G310 helixtrans-56.3-29.5173.3-65.1172.8-167.6155.60113.3D617D617-K619 PolarHBondContact O-N 3.2Å; D617-K619 VanDerWaalsContact O-N 3.08Å; D617-K619 WeakPolarHBondContact OD1-CG 3.41Å; D617-K619 PolarHBondContact OD1-N 3.39Å; D617-K619 IonicContact OD2-NZ 2.61Å
620F89.7Confident89.1Confident13 Ų1354.5 Ų54.56%0.05727%0.265CS..G310 helixtrans-997.7-179.4-50.6-54000113H534 L540 V563 I591 D617 E618 G622 V623 M624H534-F620 HydrophobicContact CB-CE1 3.91Å; H534-F620 HydrophobicContact CB-CZ 3.87Å; H534-F620 AromaticContact CD2-CE1 3.87Å; H534-F620 AromaticContact CG-CE1 3.69Å; H534-F620 AromaticContact CG-CZ 3.82Å; H534-F620 AromaticContact ND1-CZ 3.91Å; L540-F620 HydrophobicContact CD1-CD2 4.32Å; L540-F620 HydrophobicContact CD1-CE2 4.22Å; L540-F620 HydrophobicContact CD1-CZ 4.32Å; L540-F620 HydrophobicContact CD2-CD2 4.31Å; L540-F620 HydrophobicContact CD2-CE2 3.75Å; L540-F620 HydrophobicContact CD2-CZ 4.24Å; L540-F620 HydrophobicContact CG-CE2 4.48Å; V563-F620 HydrophobicContact CG1-CD1 3.88Å; V563-F620 HydrophobicContact CG1-CE1 3.99Å; I591-F620 HydrophobicContact CD1-CD1 3.98Å; I591-F620 HydrophobicContact CD1-CE1 3.95Å; D617-F620 HydrophobicContact CB-CD2 3.8Å; D617-F620 HydrophobicContact CB-CE2 3.95Å; D617-F620 PolarHBondContact O-N 3.47Å; E618-F620 PolarHBondContact O-N 2.89Å; E618-F620 VanDerWaalsContact O-N 3.15Å; F620-G622 PolarHBondContact O-N 3.31Å; F620-G622 VanDerWaalsContact O-N 3.16Å; F620-V623 HydrophobicContact CB-CB 4.43Å; F620-V623 HydrophobicContact CB-CG2 4.39Å; F620-V623 WeakPolarHBondContact O-CA 3.41Å; F620-V623 VanDerWaalsContact O-CB 3.28Å; F620-V623 WeakPolarHBondContact O-CB 3.39Å; F620-V623 PolarHBondContact O-N 3.13Å; F620-M624 PolarHBondContact O-N 3.45Å
621R89.1Confident89.2Confident103 Ų10354.7 Ų54.739%0.38927%0.267SS..Hα-helixtrans-54-38.5179.9-173.9166.5-178.6-89.6-6.2112.8E598 F616 E618 V623 M624 L625E598-R621 VanDerWaalsContact CD-NH2 3.33Å; E598-R621 IonicContact OE1-CZ 3.06Å; E598-R621 IonicContact OE1-NH1 3.89Å; E598-R621 PolarHBondContact OE1-NH1 3.46Å; E598-R621 IonicContact OE1-NH2 3.28Å; E598-R621 PolarHBondContact OE1-NH2 2.9Å; E598-R621 IonicContact OE2-NH2 3.64Å; F616-R621 HydrophobicContact CE2-CB 3.95Å; F616-R621 HydrophobicContact CE2-CG 4.15Å; E618-R621 WeakPolarHBondContact O-CB 3.39Å; E618-R621 PolarHBondContact O-N 2.82Å; R621-V623 VanDerWaalsContact C-N 3.35Å; R621-V623 PolarHBondContact O-N 3.08Å; R621-M624 PolarHBondContact O-N 2.89Å; R621-L625 HydrophobicContact CG-CD1 4Å; R621-L625 HydrophobicContact CG-CG 4.45Å; R621-L625 WeakPolarHBondContact O-CB 3.26Å; R621-L625 WeakPolarHBondContact O-CG 3.39Å; R621-L625 PolarHBondContact O-N 2.84Å
622G88.7Confident89.3Confident33 Ų3353.6 Ų53.634%0.3426%0.261SS..Hα-helixtrans-61.1-40.7173.100000113V596 F620 H626V596-G622 WeakPolarHBondContact CG2-O 3.39Å; F620-G622 PolarHBondContact O-N 3.31Å; F620-G622 VanDerWaalsContact O-N 3.16Å; G622-H626 WeakPolarHBondContact O-CB 3.29Å; G622-H626 PolarHBondContact O-N 3.41Å; G622-H626 VanDerWaalsContact O-N 3.09Å
623V90.4Very high89.4Confident1 Ų150.4 Ų50.41%0.00624%0.238CC..Hα-helixtrans-64.4-45.8176.3-173.90000110.7L537 V563 L589 I591 L594 F620 R621 H626 I627L537-V623 HydrophobicContact CD1-CG1 4.03Å; V563-V623 HydrophobicContact CG1-CG2 4.06Å; V563-V623 HydrophobicContact CG2-CG1 4.12Å; L589-V623 HydrophobicContact CD1-CG1 3.82Å; I591-V623 HydrophobicContact CG1-CG2 4.29Å; L594-V623 HydrophobicContact CD1-CB 4.19Å; L594-V623 HydrophobicContact CD1-CG2 3.57Å; F620-V623 HydrophobicContact CB-CB 4.43Å; F620-V623 HydrophobicContact CB-CG2 4.39Å; F620-V623 WeakPolarHBondContact O-CA 3.41Å; F620-V623 VanDerWaalsContact O-CB 3.28Å; F620-V623 WeakPolarHBondContact O-CB 3.39Å; F620-V623 PolarHBondContact O-N 3.13Å; R621-V623 VanDerWaalsContact C-N 3.35Å; R621-V623 PolarHBondContact O-N 3.08Å; V623-H626 WeakPolarHBondContact O-CB 3.25Å; V623-H626 PolarHBondContact O-N 2.5Å; V623-I627 HydrophobicContact CG1-CD1 4.25Å; V623-I627 PolarHBondContact O-N 3.19Å
624M90.6Very high89.6Confident0 Ų044.7 Ų44.70%022%0.217CC..Hα-helixtrans-67.7-41.7-178.2-60.5-56.7174.300112.2L537 L540 I541 I611 F616 F620 R621 H626 I627 F628 G629L537-M624 HydrophobicContact CD1-CE 3.6Å; L537-M624 HydrophobicContact CD1-SD 3.78Å; L540-M624 HydrophobicContact CB-CE 4.39Å; I541-M624 HydrophobicContact CB-CE 4.13Å; I541-M624 HydrophobicContact CG2-CE 3.99Å; I541-M624 HydrophobicContact CG2-SD 4.49Å; I611-M624 HydrophobicContact CD1-CB 4.38Å; F616-M624 HydrophobicContact CB-CE 3.75Å; F616-M624 HydrophobicContact CB-CG 4.11Å; F616-M624 HydrophobicContact CD1-CB 4.24Å; F616-M624 HydrophobicContact CD1-CG 3.7Å; F616-M624 HydrophobicContact CD1-SD 4.48Å; F616-M624 HydrophobicContact CD2-CB 4.33Å; F616-M624 HydrophobicContact CD2-CG 3.65Å; F616-M624 HydrophobicContact CE1-CB 3.98Å; F616-M624 HydrophobicContact CE1-CG 3.96Å; F616-M624 HydrophobicContact CE2-CB 4.09Å; F616-M624 HydrophobicContact CE2-CG 3.93Å; F616-M624 HydrophobicContact CG-CB 4.41Å; F616-M624 HydrophobicContact CG-CE 4.25Å; F616-M624 HydrophobicContact CG-CG 3.54Å; F616-M624 HydrophobicContact CG-SD 4.46Å; F616-M624 HydrophobicContact CZ-CB 3.9Å; F616-M624 HydrophobicContact CZ-CG 4.07Å; F620-M624 PolarHBondContact O-N 3.45Å; R621-M624 PolarHBondContact O-N 2.89Å; M624-H626 VanDerWaalsContact C-N 3.27Å; M624-H626 PolarHBondContact O-N 2.82Å; M624-I627 PolarHBondContact O-N 2.72Å; M624-F628 PolarHBondContact O-N 2.84Å; M624-F628 HydrophobicContact SD-CD2 4.19Å; M624-F628 HydrophobicContact SD-CE2 4.08Å; M624-G629 PolarHBondContact O-N 3.28Å
625L89.8Confident89.4Confident17 Ų1752.8 Ų52.89%0.08925%0.247CC..Hα-helixtrans-63-33.9173.9-74.3166.4000111.9V596 E598 I611 R621 G629V596-L625 HydrophobicContact CB-CB 4.4Å; V596-L625 HydrophobicContact CG1-CB 3.51Å; E598-L625 HydrophobicContact CG-CD1 3.87Å; E598-L625 HydrophobicContact CG-CD2 4.27Å; I611-L625 HydrophobicContact CD1-CB 4.42Å; I611-L625 HydrophobicContact CD1-CD2 3.36Å; I611-L625 HydrophobicContact CD1-CG 3.64Å; R621-L625 HydrophobicContact CG-CD1 4Å; R621-L625 HydrophobicContact CG-CG 4.45Å; R621-L625 WeakPolarHBondContact O-CB 3.26Å; R621-L625 WeakPolarHBondContact O-CG 3.39Å; R621-L625 PolarHBondContact O-N 2.84Å; L625-G629 WeakPolarHBondContact O-CA 3.32Å; L625-G629 PolarHBondContact O-N 3.42Å
626H89.9Confident89.3Confident94 Ų9449.2 Ų49.244%0.43523%0.229SC..Hα-helixtrans-65.1-40.1177.1-17777.1000112.4L594 V596 G622 V623 M624L594-H626 HydrophobicContact CD2-CB 4.31Å; V596-H626 HydrophobicContact CG2-CB 3.86Å; G622-H626 WeakPolarHBondContact O-CB 3.29Å; G622-H626 PolarHBondContact O-N 3.41Å; G622-H626 VanDerWaalsContact O-N 3.09Å; V623-H626 WeakPolarHBondContact O-CB 3.25Å; V623-H626 PolarHBondContact O-N 2.5Å; M624-H626 VanDerWaalsContact C-N 3.27Å; M624-H626 PolarHBondContact O-N 2.82Å
627I89.9Confident89.2Confident10 Ų1049.9 Ų49.95%0.05124%0.235CC..Hα-helixtrans-90.4-48.2-173.2-61.2177.1000111.5L537 A555 R558 L589 V623 M624L537-I627 HydrophobicContact CD1-CD1 4.16Å; L537-I627 HydrophobicContact CD2-CD1 3.33Å; L537-I627 HydrophobicContact CD2-CG2 4.41Å; L537-I627 HydrophobicContact CG-CD1 4.35Å; A555-I627 HydrophobicContact CB-CG2 4.3Å; R558-I627 HydrophobicContact CB-CD1 4.48Å; L589-I627 HydrophobicContact CD1-CD1 3.86Å; V623-I627 HydrophobicContact CG1-CD1 4.25Å; V623-I627 PolarHBondContact O-N 3.19Å; M624-I627 PolarHBondContact O-N 2.72Å
628F91Very high89.1Confident0 Ų053 Ų530%025%0.247CC..Hα-helixtrans-108.3-11.4-171.2-56.5-70.5000113.7L537 I541 V551 T554 A555 M610 L614 M624 K630 T631L537-F628 HydrophobicContact CD2-CE2 4.22Å; L537-F628 HydrophobicContact CD2-CZ 4.38Å; I541-F628 HydrophobicContact CD1-CE2 4.15Å; I541-F628 HydrophobicContact CD1-CZ 4.02Å; V551-F628 HydrophobicContact CG1-CE1 3.9Å; V551-F628 HydrophobicContact CG1-CZ 3.97Å; T554-F628 HydrophobicContact CG2-CD1 3.92Å; T554-F628 HydrophobicContact CG2-CE1 4.31Å; A555-F628 HydrophobicContact CB-CE1 3.81Å; A555-F628 HydrophobicContact CB-CZ 3.84Å; M610-F628 HydrophobicContact CG-CB 4.39Å; M610-F628 HydrophobicContact CG-CD1 4.3Å; M610-F628 HydrophobicContact SD-CB 4.43Å; M610-F628 HydrophobicContact SD-CD1 3.5Å; M610-F628 VanDerWaalsContact SD-CD1 3.5Å; M610-F628 HydrophobicContact SD-CE1 4.15Å; M610-F628 HydrophobicContact SD-CG 4.34Å; L614-F628 HydrophobicContact CD1-CB 3.92Å; L614-F628 HydrophobicContact CD1-CD1 4.17Å; L614-F628 HydrophobicContact CD1-CD2 3.37Å; L614-F628 HydrophobicContact CD1-CE2 3.82Å; L614-F628 HydrophobicContact CD1-CG 3.56Å; L614-F628 HydrophobicContact CD1-CZ 4.37Å; M624-F628 PolarHBondContact O-N 2.84Å; M624-F628 HydrophobicContact SD-CD2 4.19Å; M624-F628 HydrophobicContact SD-CE2 4.08Å; F628-K630 PolarHBondContact O-N 3.02Å; F628-K630 VanDerWaalsContact O-N 3.08Å; F628-T631 PolarHBondContact O-N 2.62Å; F628-T631 VanDerWaalsContact O-N 3.16Å
629G87.2Confident89.1Confident3 Ų347.1 Ų47.13%0.03122%0.221CC..THydrogen-bonded Turntrans-65.6-15.6-171.600000115.3Y601 M624 L625Y601-G629 WeakPolarHBondContact CE1-O 3.14Å; Y601-G629 PolarHBondContact OH-O 2.94Å; M624-G629 PolarHBondContact O-N 3.28Å; L625-G629 WeakPolarHBondContact O-CA 3.32Å; L625-G629 PolarHBondContact O-N 3.42Å
630K87.6Confident89.1Confident90 Ų9039.9 Ų39.939%0.39119%0.189SC..THydrogen-bonded Turntrans-111.117.6178.6-66-170.3175.7-176.90114F628 D650F628-K630 PolarHBondContact O-N 3.02Å; F628-K630 VanDerWaalsContact O-N 3.08Å; K630-D650 PolarHBondContact O-N 3.12Å
631T90.4Very high88.9Confident6 Ų641 Ų414%0.03720%0.197CC..EExtended strand (participates in β ladder)trans-114.8129.9-179.8-49.80000111.9T554 M610 F628 D650 I652T554-T631 HydrophobicContact CG2-CG2 3.81Å; T554-T631 WeakPolarHBondContact CG2-OG1 3.09Å; M610-T631 WeakPolarHBondContact CB-O 3.42Å; M610-T631 HydrophobicContact CE-CG2 4.02Å; M610-T631 PolarHBondContact N-O 2.7Å; M610-T631 HydrophobicContact SD-CG2 4.27Å; F628-T631 PolarHBondContact O-N 2.62Å; F628-T631 VanDerWaalsContact O-N 3.16Å; T631-D650 CarbonylContact C-O 3.27Å; T631-D650 VanDerWaalsContact CA-O 3.26Å; T631-D650 WeakPolarHBondContact CA-O 3.24Å; T631-I652 HydrophobicContact CG2-CG2 3.9Å
632L91.7Very high88.8Confident1 Ų142.3 Ų42.31%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-109.2136.7173.5-67.3173.3000110.4Y601 P602 A607 P609 F649 D650 C651 I652Y601-L632 HydrophobicContact CD1-CD2 4.14Å; P602-L632 HydrophobicContact CG-CD1 3.48Å; P602-L632 VanDerWaalsContact CG-CD1 3.48Å; P602-L632 HydrophobicContact CG-CD2 4.35Å; A607-L632 HydrophobicContact CB-CB 4.48Å; P609-L632 HydrophobicContact CG-CD2 4.38Å; L632-F649 HydrophobicContact CD1-CB 3.6Å; L632-F649 HydrophobicContact CD1-CD1 4.25Å; L632-F649 HydrophobicContact CD1-CD2 4.04Å; L632-F649 HydrophobicContact CD1-CG 3.71Å; L632-F649 HydrophobicContact CG-CB 3.9Å; L632-F649 HydrophobicContact CG-CD1 4.03Å; L632-F649 HydrophobicContact CG-CG 3.96Å; L632-D650 PolarHBondContact N-O 3.26Å; L632-C651 CarbonylContact O-C 3.11Å; L632-C651 VanDerWaalsContact O-CA 3.32Å; L632-C651 WeakPolarHBondContact O-CA 3.39Å; L632-I652 PolarHBondContact O-N 2.78Å
633I92.1Very high88.7Confident6 Ų641.5 Ų41.53%0.03120%0.196CC..EExtended strand (participates in β ladder)trans-92120.2173-54.4174.7000108F547 A607 I608 M610 I652 L654F547-I633 HydrophobicContact CD1-CD1 3.64Å; F547-I633 HydrophobicContact CE1-CD1 3.96Å; A607-I633 CarbonylContact C-O 3.38Å; A607-I633 WeakPolarHBondContact CA-O 3.45Å; I608-I633 HydrophobicContact CD1-CB 4.42Å; I608-I633 HydrophobicContact CG1-CB 3.79Å; I608-I633 HydrophobicContact CG1-CG2 4.42Å; I608-I633 PolarHBondContact N-O 2.89Å; I608-I633 PolarHBondContact O-N 2.99Å; M610-I633 HydrophobicContact CB-CD1 4.18Å; M610-I633 HydrophobicContact CB-CG1 4.12Å; M610-I633 HydrophobicContact CE-CD1 3.87Å; M610-I633 HydrophobicContact CE-CG1 3.69Å; M610-I633 HydrophobicContact CG-CD1 4.22Å; I633-I652 CarbonylContact C-O 3.32Å; I633-I652 VanDerWaalsContact CA-O 3.26Å; I633-I652 WeakPolarHBondContact CA-O 3.32Å; I633-I652 HydrophobicContact CG1-CG2 4.12Å; I633-L654 HydrophobicContact CG2-CD2 3.95Å; I633-L654 HydrophobicContact CG2-CG 4.4Å
634C90.7Very high88.5Confident3 Ų341.8 Ų41.82%0.0220%0.198CC..EExtended strand (participates in β ladder)trans-110.9153.7-175.3-60.90000111.2I639 A640 I652 T653C634-I639 HydrophobicContact CB-CG2 4.24Å; C634-A640 HydrophobicContact CB-CB 3.93Å; C634-I652 PolarHBondContact N-O 3.49Å; C634-T653 WeakPolarHBondContact O-CA 3.34Å
635R87.4Confident88.2Confident181 Ų18152 Ų5268%0.68324%0.236SC*.SBendtrans-69.9-37.8179.9-173.3-179-70.5150.23.2114.1D606 I639D606-R635 PolarHBondContact O-N 3.11Å; D606-R635 IonicContact OD1-CZ 3.71Å; D606-R635 IonicContact OD1-NH1 2.76Å; D606-R635 PolarHBondContact OD1-NH1 3.42Å; D606-R635 VanDerWaalsContact OD1-NH1 3.16Å; D606-R635 IonicContact OD1-NH2 2.68Å; R635-I639 HydrophobicContact CB-CD1 4.18Å
636S87.3Confident88Confident28 Ų2855.9 Ų55.920%0.19626%0.261CS..SBendtrans-137.6161.3-179.983.20000112.1E638 I639 A640S636-E638 VanDerWaalsContact C-N 3.25Å; S636-E638 VanDerWaalsContact CB-OE2 3.31Å; S636-E638 WeakPolarHBondContact CB-OE2 3.19Å; S636-E638 PolarHBondContact O-N 3.15Å; S636-E638 PolarHBondContact OG-N 3.32Å; S636-E638 PolarHBondContact OG-OE2 3.5Å; S636-I639 PolarHBondContact O-N 3Å; S636-I639 WeakPolarHBondContact OG-CG1 3.48Å; S636-I639 PolarHBondContact OG-N 3.04Å; S636-A640 WeakPolarHBondContact O-CB 3.47Å; S636-A640 PolarHBondContact O-N 3.35Å
637I86.7Confident87.5Confident73 Ų7356.7 Ų56.737%0.37426%0.263SS..Hα-helixtrans-63.1-32.1176.4-165.8170.7000112A640 T641 T653 D657 V659I637-A640 PolarHBondContact O-N 2.95Å; I637-T641 WeakPolarHBondContact O-CB 3.33Å; I637-T641 PolarHBondContact O-N 3.39Å; I637-T641 PolarHBondContact O-OG1 3.21Å; I637-T653 HydrophobicContact CB-CG2 4.46Å; I637-D657 HydrophobicContact CD1-CB 4.07Å; I637-D657 HydrophobicContact CG1-CB 4.34Å; I637-V659 HydrophobicContact CG1-CG2 4.47Å
638E86.5Confident87.3Confident139 Ų13961.3 Ų61.365%0.6529%0.288SS*.Hα-helixtrans-66.2-44.6176.7-54107.1171.500110.9S636 T641 Q642S636-E638 VanDerWaalsContact C-N 3.25Å; S636-E638 VanDerWaalsContact CB-OE2 3.31Å; S636-E638 WeakPolarHBondContact CB-OE2 3.19Å; S636-E638 PolarHBondContact O-N 3.15Å; S636-E638 PolarHBondContact OG-N 3.32Å; S636-E638 PolarHBondContact OG-OE2 3.5Å; E638-T641 PolarHBondContact O-N 3.12Å; E638-Q642 PolarHBondContact O-N 2.74Å
639I87.3Confident87.2Confident36 Ų3662 Ų6219%0.18529%0.291CS..Hα-helixtrans-64.3-43176.7-63.6171000110.4D606 C634 R635 S636 T641 Q642 L643D606-I639 HydrophobicContact CB-CD1 3.94Å; D606-I639 HydrophobicContact CB-CG2 4.02Å; C634-I639 HydrophobicContact CB-CG2 4.24Å; R635-I639 HydrophobicContact CB-CD1 4.18Å; S636-I639 PolarHBondContact O-N 3Å; S636-I639 WeakPolarHBondContact OG-CG1 3.48Å; S636-I639 PolarHBondContact OG-N 3.04Å; I639-T641 VanDerWaalsContact C-N 3.29Å; I639-T641 PolarHBondContact O-N 3.25Å; I639-Q642 PolarHBondContact O-N 2.95Å; I639-L643 HydrophobicContact CG2-CD1 3.74Å; I639-L643 HydrophobicContact CG2-CG 4.44Å; I639-L643 WeakPolarHBondContact O-CB 3.31Å; I639-L643 PolarHBondContact O-N 3.2Å
640A87.4Confident87.3Confident0 Ų063 Ų630%030%0.295CS..Hα-helixtrans-58.8-41.6175.600000111.6C634 S636 I637 A644 C651 V659C634-A640 HydrophobicContact CB-CB 3.93Å; S636-A640 WeakPolarHBondContact O-CB 3.47Å; S636-A640 PolarHBondContact O-N 3.35Å; I637-A640 PolarHBondContact O-N 2.95Å; A640-A644 WeakPolarHBondContact O-CB 3.39Å; A640-A644 PolarHBondContact O-N 3.05Å; A640-C651 HydrophobicContact CB-CB 3.68Å; A640-V659 HydrophobicContact CB-CB 4.35Å; A640-V659 HydrophobicContact CB-CG2 3.63Å
641T86.3Confident87.5Confident36 Ų3658.7 Ų58.722%0.22128%0.277CS..Hα-helixtrans-66.1-38.8177.1-54.10000112.4I637 E638 I639 R645I637-T641 WeakPolarHBondContact O-CB 3.33Å; I637-T641 PolarHBondContact O-N 3.39Å; I637-T641 PolarHBondContact O-OG1 3.21Å; E638-T641 PolarHBondContact O-N 3.12Å; I639-T641 VanDerWaalsContact C-N 3.29Å; I639-T641 PolarHBondContact O-N 3.25Å; T641-R645 WeakPolarHBondContact O-CG 3.36Å; T641-R645 PolarHBondContact O-N 3.47Å
642Q85.8Confident87.6Confident132 Ų13258.4 Ų58.462%0.61728%0.275SS*.Hα-helixtrans-68.5-50.5176.9-174179.2-5.600111.8E638 I639 R645 T646E638-Q642 PolarHBondContact O-N 2.74Å; I639-Q642 PolarHBondContact O-N 2.95Å; Q642-R645 PolarHBondContact O-N 3.38Å; Q642-T646 PolarHBondContact O-N 3.5Å; Q642-T646 VanDerWaalsContact O-N 3.12Å; Q642-T646 PolarHBondContact O-OG1 3.27Å; Q642-T646 VanDerWaalsContact O-OG1 3.13Å
643L86.5Confident87.6Confident16 Ų1658.5 Ų58.58%0.08428%0.276CS..Hα-helixtrans-65.2-40.9-178.5-83.1166.6000112.6A607 I639 R645 T646 K647A607-L643 HydrophobicContact CB-CD1 3.49Å; A607-L643 VanDerWaalsContact CB-CD1 3.49Å; I639-L643 HydrophobicContact CG2-CD1 3.74Å; I639-L643 HydrophobicContact CG2-CG 4.44Å; I639-L643 WeakPolarHBondContact O-CB 3.31Å; I639-L643 PolarHBondContact O-N 3.2Å; L643-R645 VanDerWaalsContact C-N 3.25Å; L643-R645 PolarHBondContact O-N 3.11Å; L643-T646 PolarHBondContact O-N 3.36Å; L643-K647 HydrophobicContact CD2-CG 4.11Å; L643-K647 PolarHBondContact O-N 3.12Å
644A86.6Confident87.4Confident6 Ų662.1 Ų62.15%0.0530%0.295CS..Hα-helixtrans-60-37.4177.600000111.9A640 F649 C651 V659A640-A644 WeakPolarHBondContact O-CB 3.39Å; A640-A644 PolarHBondContact O-N 3.05Å; A644-F649 WeakPolarHBondContact CA-O 3.32Å; A644-C651 HydrophobicContact CB-CB 4.37Å; A644-V659 HydrophobicContact CB-CB 4.24Å; A644-V659 HydrophobicContact CB-CG1 3.82Å
645R84.1Confident87.2Confident214 Ų21467.9 Ų67.981%0.80833%0.325SS*.Hα-helixtrans-70.9-39.5175.7-73.2178.2-179.8-172.52.2113.1T641 Q642 L643T641-R645 WeakPolarHBondContact O-CG 3.36Å; T641-R645 PolarHBondContact O-N 3.47Å; Q642-R645 PolarHBondContact O-N 3.38Å; L643-R645 VanDerWaalsContact C-N 3.25Å; L643-R645 PolarHBondContact O-N 3.11Å
646T84.7Confident87.1Confident100 Ų10059.2 Ų59.261%0.61329%0.293SS*.Hα-helixtrans-89.2-37.5-171.2-52.50000113.9Q642 L643Q642-T646 PolarHBondContact O-N 3.5Å; Q642-T646 VanDerWaalsContact O-N 3.12Å; Q642-T646 PolarHBondContact O-OG1 3.27Å; Q642-T646 VanDerWaalsContact O-OG1 3.13Å; L643-T646 PolarHBondContact O-N 3.36Å
647K80.2Confident87.2Confident111 Ų11160.1 Ų60.148%0.48330%0.295SS..Hα-helixtrans-111.30.6-167.8-62.8-66-173.8174.70114.3P602 L643 F649P602-K647 HydrophobicContact CB-CD 4.36Å; P602-K647 HydrophobicContact CB-CG 4.22Å; P602-K647 HydrophobicContact CG-CG 4.46Å; L643-K647 HydrophobicContact CD2-CG 4.11Å; L643-K647 PolarHBondContact O-N 3.12Å; K647-F649 HydrophobicContact CB-CD2 4.02Å; K647-F649 WeakPolarHBondContact O-CD2 3.49Å; K647-F649 PolarHBondContact O-N 3.46Å
648N85.3Confident87.4Confident106 Ų10658.8 Ų58.857%0.56729%0.287SS*.  trans57.532.9177.5-161.619000114.2R661N648-R661 VanDerWaalsContact O-CD 3.25Å; N648-R661 WeakPolarHBondContact O-CD 3Å; N648-R661 WeakPolarHBondContact OD1-CD 3.3Å
649F88.8Confident87.5Confident15 Ų1552.5 Ų52.57%0.06626%0.258CS..  trans-106147.4170.8-78-92000109.8S600 Y601 L632 A644 K647S600-F649 WeakPolarHBondContact O-CZ 3.48Å; Y601-F649 AromaticContact CD1-CE1 3.91Å; Y601-F649 HydrophobicContact CD1-CE1 3.91Å; Y601-F649 HydrophobicContact CD1-CZ 4.2Å; Y601-F649 AromaticContact CE1-CE1 3.97Å; Y601-F649 HydrophobicContact CE1-CE1 3.97Å; L632-F649 HydrophobicContact CD1-CB 3.6Å; L632-F649 HydrophobicContact CD1-CD1 4.25Å; L632-F649 HydrophobicContact CD1-CD2 4.04Å; L632-F649 HydrophobicContact CD1-CG 3.71Å; L632-F649 HydrophobicContact CG-CB 3.9Å; L632-F649 HydrophobicContact CG-CD1 4.03Å; L632-F649 HydrophobicContact CG-CG 3.96Å; A644-F649 WeakPolarHBondContact CA-O 3.32Å; K647-F649 HydrophobicContact CB-CD2 4.02Å; K647-F649 WeakPolarHBondContact O-CD2 3.49Å; K647-F649 PolarHBondContact O-N 3.46Å
650D90.5Very high87.6Confident23 Ų2351.6 Ų51.612%0.12326%0.255CS..EExtended strand (participates in β ladder)trans-73.3134.8165-63.5-53.8000107.3K630 T631 L632 S660 R661K630-D650 PolarHBondContact O-N 3.12Å; T631-D650 CarbonylContact C-O 3.27Å; T631-D650 VanDerWaalsContact CA-O 3.26Å; T631-D650 WeakPolarHBondContact CA-O 3.24Å; L632-D650 PolarHBondContact N-O 3.26Å; D650-S660 WeakPolarHBondContact OD1-CA 3.33Å; D650-S660 WeakPolarHBondContact OD1-CB 3.2Å; D650-S660 PolarHBondContact OD1-OG 3.29Å; D650-R661 WeakPolarHBondContact OD1-CG 3.42Å; D650-R661 PolarHBondContact OD1-N 3.46Å; D650-R661 IonicContact OD1-NE 2.89Å; D650-R661 IonicContact OD2-CZ 3.97Å; D650-R661 IonicContact OD2-NE 3.38Å; D650-R661 PolarHBondContact OD2-NE 3.4Å; D650-R661 VanDerWaalsContact OD2-NE 3.12Å; D650-R661 IonicContact OD2-NH2 2.82Å
651C91.7Very high87.6Confident0 Ų055.8 Ų55.80%027%0.271CS..EExtended strand (participates in β ladder)trans-118.6143.3-175-64.30000109.7L632 A640 A644 Q658 V659L632-C651 CarbonylContact O-C 3.11Å; L632-C651 VanDerWaalsContact O-CA 3.32Å; L632-C651 WeakPolarHBondContact O-CA 3.39Å; A640-C651 HydrophobicContact CB-CB 3.68Å; A644-C651 HydrophobicContact CB-CB 4.37Å; C651-Q658 WeakPolarHBondContact O-CA 3.17Å; C651-V659 PolarHBondContact N-O 3.02Å; C651-V659 PolarHBondContact O-N 3.12Å
652I93.1Very high87.6Confident0 Ų062.6 Ų62.60%030%0.297CS..EExtended strand (participates in β ladder)trans-140.5143.5178.8-164.4169.8000111.3S550 V553 T554 M610 T631 L632 I633 C634 D657 Q658S550-I652 WeakPolarHBondContact O-CD1 3.37Å; V553-I652 HydrophobicContact CB-CD1 3.86Å; V553-I652 HydrophobicContact CG1-CD1 3.84Å; T554-I652 WeakPolarHBondContact OG1-CD1 3.41Å; M610-I652 HydrophobicContact CE-CG2 3.7Å; T631-I652 HydrophobicContact CG2-CG2 3.9Å; L632-I652 PolarHBondContact O-N 2.78Å; I633-I652 CarbonylContact C-O 3.32Å; I633-I652 VanDerWaalsContact CA-O 3.26Å; I633-I652 WeakPolarHBondContact CA-O 3.32Å; I633-I652 HydrophobicContact CG1-CG2 4.12Å; C634-I652 PolarHBondContact N-O 3.49Å; I652-D657 CarbonylContact C-O 3.53Å; I652-D657 VanDerWaalsContact CA-O 3.26Å; I652-D657 WeakPolarHBondContact CA-O 3.3Å; I652-Q658 HydrophobicContact CD1-CB 4.48Å; I652-Q658 HydrophobicContact CG1-CB 4.35Å
653T91.4Very high87.5Confident3 Ų359.2 Ų59.22%0.01830%0.298CS..EExtended strand (participates in β ladder)trans-84.8167.4170.663.90000111.3C634 I637 D655 G656 D657C634-T653 WeakPolarHBondContact O-CA 3.34Å; I637-T653 HydrophobicContact CB-CG2 4.46Å; T653-D655 PolarHBondContact O-N 2.92Å; T653-G656 PolarHBondContact O-N 3.15Å; T653-G656 PolarHBondContact OG1-N 3.2Å; T653-D657 HydrophobicContact CG2-CB 4.13Å; T653-D657 PolarHBondContact N-O 3.07Å; T653-D657 VanDerWaalsContact OG1-CB 3.32Å; T653-D657 WeakPolarHBondContact OG1-CB 3.38Å; T653-D657 PolarHBondContact OG1-N 2.95Å; T653-D657 PolarHBondContact OG1-OD2 2.64Å
654L88.1Confident87.6Confident82 Ų8262.4 Ų62.443%0.42932%0.319SS..THydrogen-bonded Turntrans-60.8-32.6172.4-69.2173.6000111.9F547 I633 G656F547-L654 HydrophobicContact CD1-CD2 3.57Å; F547-L654 HydrophobicContact CE1-CD2 3.58Å; I633-L654 HydrophobicContact CG2-CD2 3.95Å; I633-L654 HydrophobicContact CG2-CG 4.4Å; L654-G656 PolarHBondContact O-N 3.25Å
655D84.9Confident87.6Confident124 Ų12467.5 Ų67.566%0.66334%0.344SS*.THydrogen-bonded Turntrans-76.4-5.9-179.8-58.6-37.2000113.4T653 Y670T653-D655 PolarHBondContact O-N 2.92Å; D655-Y670 WeakPolarHBondContact O-CD2 3.38Å
656G86.1Confident87.6Confident0 Ų060.6 Ų60.60%033%0.326CS..  trans96.76.6176.800000115.3T653 L654 Q658T653-G656 PolarHBondContact O-N 3.15Å; T653-G656 PolarHBondContact OG1-N 3.2Å; L654-G656 PolarHBondContact O-N 3.25Å; G656-Q658 PolarHBondContact O-N 2.68Å
657D89Confident87.6Confident47 Ų4758.2 Ų58.225%0.25132%0.322SS..  trans-71.9115.1174.4-58.6-59000110.2I637 I652 T653I637-D657 HydrophobicContact CD1-CB 4.07Å; I637-D657 HydrophobicContact CG1-CB 4.34Å; I652-D657 CarbonylContact C-O 3.53Å; I652-D657 VanDerWaalsContact CA-O 3.26Å; I652-D657 WeakPolarHBondContact CA-O 3.3Å; T653-D657 HydrophobicContact CG2-CB 4.13Å; T653-D657 PolarHBondContact N-O 3.07Å; T653-D657 VanDerWaalsContact OG1-CB 3.32Å; T653-D657 WeakPolarHBondContact OG1-CB 3.38Å; T653-D657 PolarHBondContact OG1-N 2.95Å; T653-D657 PolarHBondContact OG1-OD2 2.64Å
658Q90.3Very high87.7Confident45 Ų4555.3 Ų55.321%0.2132%0.323CS..EExtended strand (participates in β ladder)trans-104130.8-176.2-168.1179.917.300111.2C651 I652 G656 L665 T666C651-Q658 WeakPolarHBondContact O-CA 3.17Å; I652-Q658 HydrophobicContact CD1-CB 4.48Å; I652-Q658 HydrophobicContact CG1-CB 4.35Å; G656-Q658 PolarHBondContact O-N 2.68Å; Q658-L665 WeakPolarHBondContact O-CA 3.29Å; Q658-T666 PolarHBondContact N-O 2.84Å; Q658-T666 PolarHBondContact O-N 3.28Å
659V90.5Very high87.5Confident6 Ų659.4 Ų59.44%0.03633%0.332CS..EExtended strand (participates in β ladder)trans-116.6110.2169.3-167.30000109I637 A640 A644 C651 L665I637-V659 HydrophobicContact CG1-CG2 4.47Å; A640-V659 HydrophobicContact CB-CB 4.35Å; A640-V659 HydrophobicContact CB-CG2 3.63Å; A644-V659 HydrophobicContact CB-CB 4.24Å; A644-V659 HydrophobicContact CB-CG1 3.82Å; C651-V659 PolarHBondContact N-O 3.02Å; C651-V659 PolarHBondContact O-N 3.12Å; V659-L665 HydrophobicContact CB-CD2 3.95Å; V659-L665 HydrophobicContact CG1-CD2 3.64Å; V659-L665 HydrophobicContact CG2-CD2 3.5Å
660S89.4Confident87Confident17 Ų1762.4 Ų62.412%0.11934%0.343CS..  trans-75.6147.2174.3-1760000111.1D650 K662 G663 T664D650-S660 WeakPolarHBondContact OD1-CA 3.33Å; D650-S660 WeakPolarHBondContact OD1-CB 3.2Å; D650-S660 PolarHBondContact OD1-OG 3.29Å; S660-K662 PolarHBondContact O-N 3.29Å; S660-K662 VanDerWaalsContact O-N 3.1Å; S660-K662 PolarHBondContact OG-N 2.92Å; S660-K662 VanDerWaalsContact OG-N 3.13Å; S660-G663 PolarHBondContact O-N 3.1Å; S660-T664 WeakPolarHBondContact CB-OG1 3.4Å; S660-T664 PolarHBondContact N-O 3.48Å
661R86.1Confident86.3Confident88 Ų8863.5 Ų63.533%0.33235%0.349SS..THydrogen-bonded Turntrans-57.4-18.4164.766.9-158.6162.3141.41.3113.9N648 D650 G663N648-R661 VanDerWaalsContact O-CD 3.25Å; N648-R661 WeakPolarHBondContact O-CD 3Å; N648-R661 WeakPolarHBondContact OD1-CD 3.3Å; D650-R661 WeakPolarHBondContact OD1-CG 3.42Å; D650-R661 PolarHBondContact OD1-N 3.46Å; D650-R661 IonicContact OD1-NE 2.89Å; D650-R661 IonicContact OD2-CZ 3.97Å; D650-R661 IonicContact OD2-NE 3.38Å; D650-R661 PolarHBondContact OD2-NE 3.4Å; D650-R661 VanDerWaalsContact OD2-NE 3.12Å; D650-R661 IonicContact OD2-NH2 2.82Å; R661-G663 VanDerWaalsContact C-N 3.29Å
662K86.9Confident85.4Confident179 Ų17967.1 Ų67.178%0.77838%0.375SS*.THydrogen-bonded Turntrans-83.8-0.9172.6-62.6-172.9-179.4-178.60113.7S660S660-K662 PolarHBondContact O-N 3.29Å; S660-K662 VanDerWaalsContact O-N 3.1Å; S660-K662 PolarHBondContact OG-N 2.92Å; S660-K662 VanDerWaalsContact OG-N 3.13Å
663G82.8Confident84.3Confident61 Ų6176.5 Ų76.563%0.62941%0.41SS*.SBendtrans89.15.6177.300000115.3S660 R661S660-G663 PolarHBondContact O-N 3.1Å; R661-G663 VanDerWaalsContact C-N 3.29Å
664T88.2Confident83.5Confident84 Ų8480.7 Ų80.752%0.51543%0.432SS..  trans-80132.6173.357.30000110.4S660S660-T664 WeakPolarHBondContact CB-OG1 3.4Å; S660-T664 PolarHBondContact N-O 3.48Å
665L87.8Confident83.3Confident112 Ų11277 Ų7759%0.58641%0.413SS*.EExtended strand (participates in β ladder)trans-106.7130.3172.7-68162.6000108Q658 V659Q658-L665 WeakPolarHBondContact O-CA 3.29Å; V659-L665 HydrophobicContact CB-CD2 3.95Å; V659-L665 HydrophobicContact CG1-CD2 3.64Å; V659-L665 HydrophobicContact CG2-CD2 3.5Å
666T84.5Confident83.5Confident70 Ų7074 Ų7443%0.42939%0.392SS..EExtended strand (participates in β ladder)trans-134.7126.4178.8-57.70000108.2Q658Q658-T666 PolarHBondContact N-O 2.84Å; Q658-T666 PolarHBondContact O-N 3.28Å
667G83.4Confident83.5Confident50 Ų5074.5 Ų74.552%0.51540%0.395SS..  trans-157.8162.6179.900000109.9
668G82.8Confident83.4Confident50 Ų5076.8 Ų76.852%0.51540%0.404SS..  trans176.3178.1-175.700000111Y670G668-Y670 VanDerWaalsContact O-CD2 3.31Å; G668-Y670 WeakPolarHBondContact O-CD2 3.26Å; G668-Y670 WeakPolarHBondContact O-CE2 3.48Å; G668-Y670 PolarHBondContact O-N 2.74Å
669Y81.4Confident83.2Confident192 Ų19275.5 Ų75.575%0.75340%0.399SS*.  trans-79.4119.4171.1-180-98.8000109.2D671Y669-D671 HydrophobicContact CE1-CB 3.86Å
670Y78.2Confident83Confident78 Ų7875.8 Ų75.831%0.30640%0.4SS..  trans-102.8112.9173.3-61.6-77.6000108.6T549 V553 D655 G668 S672T549-Y670 HydrophobicContact CG2-CD1 4.39Å; T549-Y670 HydrophobicContact CG2-CD2 3.96Å; T549-Y670 HydrophobicContact CG2-CG 3.72Å; V553-Y670 HydrophobicContact CG2-CD1 3.76Å; V553-Y670 HydrophobicContact CG2-CE1 3.29Å; V553-Y670 HydrophobicContact CG2-CE2 4.09Å; V553-Y670 HydrophobicContact CG2-CG 4.35Å; V553-Y670 VanDerWaalsContact CG2-CZ 3.46Å; D655-Y670 WeakPolarHBondContact O-CD2 3.38Å; G668-Y670 VanDerWaalsContact O-CD2 3.31Å; G668-Y670 WeakPolarHBondContact O-CD2 3.26Å; G668-Y670 WeakPolarHBondContact O-CE2 3.48Å; G668-Y670 PolarHBondContact O-N 2.74Å; Y670-S672 PolarHBondContact O-N 2.9Å
671D74.8Confident82.9Confident45 Ų4579.2 Ų79.224%0.24141%0.412CS..  trans-76.4116.7174.8-165.3-5000108.9Y669 R673 L674Y669-D671 HydrophobicContact CE1-CB 3.86Å; D671-R673 PolarHBondContact O-N 3.22Å; D671-R673 WeakPolarHBondContact OD1-CB 3.36Å; D671-R673 PolarHBondContact OD1-N 3.35Å; D671-R673 IonicContact OD1-NE 2.65Å; D671-R673 PolarHBondContact OD1-NE 3.25Å; D671-R673 IonicContact OD2-NE 2.7Å; D671-L674 HydrophobicContact CB-CB 4.46Å; D671-L674 HydrophobicContact CB-CD1 4.02Å; D671-L674 HydrophobicContact CB-CG 4.02Å; D671-L674 PolarHBondContact O-N 3.16Å
672S73.1Confident82.9Confident77 Ų7781.3 Ų81.354%0.53842%0.42SS..G310 helixtrans-58.4-30.4176.754.10000111.6Y670 L674 S675Y670-S672 PolarHBondContact O-N 2.9Å; S672-L674 PolarHBondContact O-N 3.06Å; S672-L674 VanDerWaalsContact O-N 3.15Å; S672-S675 VanDerWaalsContact O-CB 3.25Å; S672-S675 WeakPolarHBondContact O-CB 3.32Å; S672-S675 PolarHBondContact O-N 3.02Å
673R70.1Confident83Confident197 Ų19773.6 Ų73.674%0.74339%0.386SS*.G310 helixtrans-63.3-20.4177.2-63.2-178.8-112.5-160.7-13.2113.8D671D671-R673 PolarHBondContact O-N 3.22Å; D671-R673 WeakPolarHBondContact OD1-CB 3.36Å; D671-R673 PolarHBondContact OD1-N 3.35Å; D671-R673 IonicContact OD1-NE 2.65Å; D671-R673 PolarHBondContact OD1-NE 3.25Å; D671-R673 IonicContact OD2-NE 2.7Å
674L74.1Confident83.1Confident90 Ų9074.1 Ų74.147%0.47137%0.373SS..G310 helixtrans-100.414.8179.4-54.2177.1000111.9I500 D671 S672 R676I500-L674 HydrophobicContact CD1-CB 4.08Å; I500-L674 HydrophobicContact CD1-CD2 3.76Å; I500-L674 HydrophobicContact CG1-CB 4.43Å; I500-L674 HydrophobicContact CG1-CD2 3.85Å; I500-L674 HydrophobicContact CG2-CB 4.48Å; D671-L674 HydrophobicContact CB-CB 4.46Å; D671-L674 HydrophobicContact CB-CD1 4.02Å; D671-L674 HydrophobicContact CB-CG 4.02Å; D671-L674 PolarHBondContact O-N 3.16Å; S672-L674 PolarHBondContact O-N 3.06Å; S672-L674 VanDerWaalsContact O-N 3.15Å; L674-R676 PolarHBondContact O-N 3.48Å
675S85.6Confident83.1Confident5 Ų576.4 Ų76.44%0.03538%0.376CS..  trans-62.4118.1175176.90000110.4E552 S672 E678 L679E552-S675 VanDerWaalsContact OE1-C 3.3Å; E552-S675 VanDerWaalsContact OE1-CA 3.31Å; E552-S675 WeakPolarHBondContact OE1-CA 3.22Å; E552-S675 WeakPolarHBondContact OE1-CB 3.28Å; E552-S675 PolarHBondContact OE1-OG 3.23Å; S672-S675 VanDerWaalsContact O-CB 3.25Å; S672-S675 WeakPolarHBondContact O-CB 3.32Å; S672-S675 PolarHBondContact O-N 3.02Å; S675-E678 PolarHBondContact OG-N 2.9Å; S675-L679 WeakPolarHBondContact O-CG 3.46Å; S675-L679 PolarHBondContact O-N 3.47Å
676R87.4Confident83.1Confident61 Ų6171.2 Ų71.223%0.2335%0.348CS..Hα-helixtrans-71.3-36.4179.4-61166.9-178.2170.42.8111.3L497 I500 I538 E552 L674 Q680L497-R676 HydrophobicContact CD1-CB 4.25Å; I500-R676 HydrophobicContact CG2-CG 4.08Å; I538-R676 HydrophobicContact CD1-CB 3.89Å; E552-R676 PolarHBondContact OE1-N 3.02Å; E552-R676 PolarHBondContact OE2-N 3.41Å; L674-R676 PolarHBondContact O-N 3.48Å; R676-Q680 VanDerWaalsContact O-CB 3.29Å; R676-Q680 WeakPolarHBondContact O-CB 3.35Å; R676-Q680 PolarHBondContact O-N 3.11Å
677L87.3Confident83.2Confident10 Ų1071.6 Ų71.65%0.05235%0.345CS..Hα-helixtrans-67.3-43178.1-71.8170.9000111.3I538 Y548 V551 E552 Q680 K681I538-L677 HydrophobicContact CG1-CD2 3.79Å; Y548-L677 HydrophobicContact CD1-CB 4.01Å; Y548-L677 HydrophobicContact CD1-CD1 3.97Å; Y548-L677 HydrophobicContact CD2-CB 4.45Å; Y548-L677 HydrophobicContact CE1-CB 4.15Å; Y548-L677 HydrophobicContact CG-CB 4.16Å; Y548-L677 HydrophobicContact CG-CD1 4.46Å; V551-L677 HydrophobicContact CB-CD1 4.08Å; V551-L677 HydrophobicContact CG1-CD1 3.76Å; E552-L677 HydrophobicContact CG-CD1 3.84Å; E552-L677 HydrophobicContact CG-CG 3.98Å; E552-L677 PolarHBondContact OE1-N 3.23Å; L677-Q680 PolarHBondContact O-N 3.12Å; L677-K681 WeakPolarHBondContact O-CB 3.42Å; L677-K681 PolarHBondContact O-N 2.92Å
678E86.2Confident83.5Confident95 Ų9573.8 Ų73.844%0.44434%0.344SS..Hα-helixtrans-61.1-48.2177-170.1178.2168.300111.3Y548 S675 Q680 K681 R682Y548-E678 HydrophobicContact CD2-CB 3.94Å; Y548-E678 HydrophobicContact CE2-CB 3.73Å; Y548-E678 HydrophobicContact CE2-CG 4.22Å; S675-E678 PolarHBondContact OG-N 2.9Å; E678-Q680 VanDerWaalsContact C-N 3.34Å; E678-Q680 PolarHBondContact O-N 2.96Å; E678-K681 PolarHBondContact O-N 2.99Å; E678-R682 WeakPolarHBondContact O-CB 3.34Å; E678-R682 PolarHBondContact O-N 2.77Å
679L86.3Confident83.8Confident19 Ų1974.2 Ų74.210%0.09933%0.333CS..Hα-helixtrans-62.7-39.5177.3-71.2172.3000112.5N496 L497 I500 S675 K683N496-L679 HydrophobicContact CB-CD1 4.15Å; N496-L679 HydrophobicContact CB-CD2 4.22Å; L497-L679 HydrophobicContact CB-CB 4.42Å; L497-L679 HydrophobicContact CD1-CB 4.05Å; I500-L679 HydrophobicContact CD1-CD1 3.4Å; I500-L679 VanDerWaalsContact CD1-CD1 3.4Å; S675-L679 WeakPolarHBondContact O-CG 3.46Å; S675-L679 PolarHBondContact O-N 3.47Å; L679-K683 VanDerWaalsContact O-CB 3.31Å; L679-K683 WeakPolarHBondContact O-CB 3.15Å; L679-K683 PolarHBondContact O-N 2.94Å
680Q87.4Confident84.2Confident12 Ų1265.9 Ų65.96%0.05630%0.301CS..Hα-helixtrans-66.3-41.5176.9-179.862.618.300112.1I538 E539 R676 L677 E678 K683 Q684I538-Q680 HydrophobicContact CD1-CB 4.07Å; I538-Q680 HydrophobicContact CD1-CG 4.42Å; I538-Q680 HydrophobicContact CG1-CB 4.18Å; I538-Q680 HydrophobicContact CG1-CG 4.14Å; I538-Q680 HydrophobicContact CG2-CG 4.36Å; E539-Q680 VanDerWaalsContact CG-NE2 3.34Å; R676-Q680 VanDerWaalsContact O-CB 3.29Å; R676-Q680 WeakPolarHBondContact O-CB 3.35Å; R676-Q680 PolarHBondContact O-N 3.11Å; L677-Q680 PolarHBondContact O-N 3.12Å; E678-Q680 VanDerWaalsContact C-N 3.34Å; E678-Q680 PolarHBondContact O-N 2.96Å; Q680-K683 WeakPolarHBondContact O-CB 3.4Å; Q680-K683 PolarHBondContact O-N 2.73Å; Q680-Q684 WeakPolarHBondContact O-CG 3.45Å; Q680-Q684 PolarHBondContact O-N 2.81Å
681K86.6Confident84.6Confident89 Ų8968.1 Ų68.139%0.38731%0.314SS..Hα-helixtrans-66.3-42177.8-170.6168.9-171156.80111.6D542 Y548 L677 E678 Q684 K685D542-K681 IonicContact OD1-NZ 3.51Å; D542-K681 PolarHBondContact OD1-NZ 2.74Å; D542-K681 IonicContact OD2-NZ 3.19Å; D542-K681 PolarHBondContact OD2-NZ 2.86Å; Y548-K681 WeakPolarHBondContact OH-CD 3.35Å; L677-K681 WeakPolarHBondContact O-CB 3.42Å; L677-K681 PolarHBondContact O-N 2.92Å; E678-K681 PolarHBondContact O-N 2.99Å; K681-Q684 PolarHBondContact O-N 2.6Å; K681-K685 PolarHBondContact O-N 2.73Å
682R85.8Confident85.3Confident131 Ų13171.7 Ų71.749%0.49433%0.33SS..Hα-helixtrans-60.5-46.5173.5-171.7174.5-179.6164.43.2111E489 T493 E678 Q684 K685 T686E489-R682 IonicContact OE1-CZ 3.46Å; E489-R682 IonicContact OE1-NE 3.78Å; E489-R682 PolarHBondContact OE1-NE 3.13Å; E489-R682 IonicContact OE1-NH2 3.99Å; E489-R682 PolarHBondContact OE1-NH2 3.37Å; T493-R682 HydrophobicContact CG2-CG 4Å; E678-R682 WeakPolarHBondContact O-CB 3.34Å; E678-R682 PolarHBondContact O-N 2.77Å; R682-Q684 PolarHBondContact O-N 3.47Å; R682-K685 PolarHBondContact O-N 3.49Å; R682-T686 PolarHBondContact O-N 2.98Å; R682-T686 PolarHBondContact O-OG1 3.23Å; R682-T686 VanDerWaalsContact O-OG1 3.05Å
683K88.1Confident86Confident17 Ų1768.8 Ų68.87%0.07431%0.308CS..Hα-helixtrans-54.2-52.6175.3-176.6-164.2156.1157.10111.7L490 E494 L679 Q680 K685 T686 E687L490-K683 HydrophobicContact CD1-CG 3.65Å; E494-K683 HydrophobicContact CG-CD 4.03Å; E494-K683 HydrophobicContact CG-CG 4.28Å; E494-K683 WeakPolarHBondContact OE1-CE 3.2Å; E494-K683 IonicContact OE1-NZ 2.77Å; E494-K683 PolarHBondContact OE1-NZ 3.33Å; L679-K683 VanDerWaalsContact O-CB 3.31Å; L679-K683 WeakPolarHBondContact O-CB 3.15Å; L679-K683 PolarHBondContact O-N 2.94Å; Q680-K683 WeakPolarHBondContact O-CB 3.4Å; Q680-K683 PolarHBondContact O-N 2.73Å; K683-K685 VanDerWaalsContact C-N 3.31Å; K683-K685 PolarHBondContact O-N 3.35Å; K683-T686 PolarHBondContact O-N 2.95Å; K683-E687 VanDerWaalsContact CE-CD 3.43Å; K683-E687 WeakPolarHBondContact CE-OE1 3.45Å; K683-E687 IonicContact NZ-OE1 2.68Å; K683-E687 PolarHBondContact NZ-OE1 3.27Å; K683-E687 WeakPolarHBondContact O-CG 3.39Å; K683-E687 PolarHBondContact O-N 3.18Å
684Q85.6Confident86.9Confident73 Ų7362.7 Ų62.734%0.34129%0.288SS..Hα-helixtrans-59.5-40.9179.6-75.4178-12.400112.4Q680 K681 R682 E687 I688Q680-Q684 WeakPolarHBondContact O-CG 3.45Å; Q680-Q684 PolarHBondContact O-N 2.81Å; K681-Q684 PolarHBondContact O-N 2.6Å; R682-Q684 PolarHBondContact O-N 3.47Å; Q684-E687 PolarHBondContact O-N 3.36Å; Q684-I688 WeakPolarHBondContact O-CG1 3.33Å; Q684-I688 PolarHBondContact O-N 2.91Å
685K88.2Confident87.6Confident132 Ų13262.5 Ų62.557%0.57429%0.288SS*.Hα-helixtrans-62.8-48177-172.4-176.1175.8-158.10111.5K681 R682 K683 E687 I688 E689K681-K685 PolarHBondContact O-N 2.73Å; R682-K685 PolarHBondContact O-N 3.49Å; K683-K685 VanDerWaalsContact C-N 3.31Å; K683-K685 PolarHBondContact O-N 3.35Å; K685-E687 VanDerWaalsContact C-N 3.34Å; K685-E687 PolarHBondContact O-N 3.23Å; K685-I688 PolarHBondContact O-N 2.99Å; K685-E689 WeakPolarHBondContact CE-OE1 3.31Å; K685-E689 IonicContact NZ-OE1 2.77Å; K685-E689 WeakPolarHBondContact O-CG 3.46Å; K685-E689 PolarHBondContact O-N 3.4Å
686T87.9Confident87.7Confident2 Ų265.9 Ų65.91%0.01231%0.308CS..Hα-helixtrans-64-37.1178.4-52.90000112L486 E489 L490 R682 K683 I688 E689 I690L486-T686 HydrophobicContact CB-CG2 4.4Å; L486-T686 HydrophobicContact CD2-CG2 4.25Å; L486-T686 WeakPolarHBondContact O-CG2 3.21Å; E489-T686 HydrophobicContact CB-CG2 4.44Å; E489-T686 HydrophobicContact CG-CG2 4.49Å; L490-T686 HydrophobicContact CB-CG2 4Å; R682-T686 PolarHBondContact O-N 2.98Å; R682-T686 PolarHBondContact O-OG1 3.23Å; R682-T686 VanDerWaalsContact O-OG1 3.05Å; K683-T686 PolarHBondContact O-N 2.95Å; T686-I688 VanDerWaalsContact C-N 3.34Å; T686-I688 PolarHBondContact O-N 2.9Å; T686-E689 PolarHBondContact O-N 3.44Å; T686-I690 HydrophobicContact CG2-CD1 4.12Å; T686-I690 VanDerWaalsContact O-CG1 3.25Å; T686-I690 WeakPolarHBondContact O-CG1 3.35Å; T686-I690 PolarHBondContact O-N 3.4Å
687E87.9Confident87.8Confident78 Ų7868.9 Ų68.936%0.36432%0.319SS..Hα-helixtrans-61.7-40.5174.7-75.5177.4158.100112.3L490 K683 Q684 K685 Q691L490-E687 HydrophobicContact CD1-CG 3.68Å; L490-E687 HydrophobicContact CD2-CG 4.07Å; K683-E687 VanDerWaalsContact CE-CD 3.43Å; K683-E687 WeakPolarHBondContact CE-OE1 3.45Å; K683-E687 IonicContact NZ-OE1 2.68Å; K683-E687 PolarHBondContact NZ-OE1 3.27Å; K683-E687 WeakPolarHBondContact O-CG 3.39Å; K683-E687 PolarHBondContact O-N 3.18Å; Q684-E687 PolarHBondContact O-N 3.36Å; K685-E687 VanDerWaalsContact C-N 3.34Å; K685-E687 PolarHBondContact O-N 3.23Å; E687-Q691 PolarHBondContact O-N 3.21Å; E687-Q691 VanDerWaalsContact O-N 3.12Å
688I88.9Confident87.8Confident97 Ų9773.3 Ų73.350%0.49734%0.34SS..Hα-helixtrans-65.7-46.9176-66.7165.8000110.6Q684 K685 T686 I690 Q691 E692Q684-I688 WeakPolarHBondContact O-CG1 3.33Å; Q684-I688 PolarHBondContact O-N 2.91Å; K685-I688 PolarHBondContact O-N 2.99Å; T686-I688 VanDerWaalsContact C-N 3.34Å; T686-I688 PolarHBondContact O-N 2.9Å; I688-I690 VanDerWaalsContact C-N 3.3Å; I688-I690 PolarHBondContact O-N 2.88Å; I688-Q691 PolarHBondContact O-N 2.94Å; I688-Q691 VanDerWaalsContact O-N 3.11Å; I688-E692 WeakPolarHBondContact O-CG 3.31Å; I688-E692 PolarHBondContact O-N 3.11Å
689E89.3Confident88Confident59 Ų5973.7 Ų73.728%0.27635%0.345SS..Hα-helixtrans-60.7-38.7178.3-71.6170.7173.900111.9L486 K685 T686 E692 T693L486-E689 HydrophobicContact CD1-CB 4.16Å; L486-E689 HydrophobicContact CD2-CB 4.22Å; K685-E689 WeakPolarHBondContact CE-OE1 3.31Å; K685-E689 IonicContact NZ-OE1 2.77Å; K685-E689 WeakPolarHBondContact O-CG 3.46Å; K685-E689 PolarHBondContact O-N 3.4Å; T686-E689 PolarHBondContact O-N 3.44Å; E689-E692 PolarHBondContact O-N 2.82Å; E689-T693 WeakPolarHBondContact O-CB 3.41Å; E689-T693 PolarHBondContact O-N 3.01Å; E689-T693 PolarHBondContact O-OG1 3.34Å
690I89Confident88.1Confident16 Ų1673.4 Ų73.48%0.08234%0.344CS..Hα-helixtrans-61-48173.3-71.7166.3000110.3L483 L486 R487 L490 T686 I688 E692 T693 E694L483-I690 HydrophobicContact CD2-CG2 4.29Å; L486-I690 HydrophobicContact CB-CD1 4.17Å; L486-I690 HydrophobicContact CB-CG1 3.55Å; L486-I690 HydrophobicContact CD1-CG1 4.28Å; R487-I690 HydrophobicContact CG-CD1 4.19Å; L490-I690 HydrophobicContact CB-CD1 4.01Å; L490-I690 HydrophobicContact CD2-CD1 3.71Å; L490-I690 HydrophobicContact CG-CD1 4.43Å; T686-I690 HydrophobicContact CG2-CD1 4.12Å; T686-I690 VanDerWaalsContact O-CG1 3.25Å; T686-I690 WeakPolarHBondContact O-CG1 3.35Å; T686-I690 PolarHBondContact O-N 3.4Å; I688-I690 VanDerWaalsContact C-N 3.3Å; I688-I690 PolarHBondContact O-N 2.88Å; I690-E692 VanDerWaalsContact C-N 3.34Å; I690-E692 PolarHBondContact O-N 3.45Å; I690-T693 PolarHBondContact O-N 3.28Å; I690-E694 HydrophobicContact CG2-CG 4.25Å; I690-E694 WeakPolarHBondContact O-CB 3.29Å; I690-E694 WeakPolarHBondContact O-CG 3.3Å; I690-E694 PolarHBondContact O-N 2.89Å
691Q87.7Confident88Confident126 Ų12675.1 Ų75.159%0.58936%0.36SS*.Hα-helixtrans-63.8-39.5-178.5-170.4171.75.700112.1E687 I688 N695E687-Q691 PolarHBondContact O-N 3.21Å; E687-Q691 VanDerWaalsContact O-N 3.12Å; I688-Q691 PolarHBondContact O-N 2.94Å; I688-Q691 VanDerWaalsContact O-N 3.11Å; Q691-N695 VanDerWaalsContact O-CG 3.29Å; Q691-N695 PolarHBondContact O-N 2.9Å; Q691-N695 VanDerWaalsContact O-N 3.16Å; Q691-N695 PolarHBondContact O-ND2 3.3Å
692E89.6Confident88.2Confident120 Ų12075.5 Ų75.556%0.56136%0.361SS*.Hα-helixtrans-63.3-45.3174.2-71.2-179.3170.900111.6I688 E689 I690 E694 N695 V696I688-E692 WeakPolarHBondContact O-CG 3.31Å; I688-E692 PolarHBondContact O-N 3.11Å; E689-E692 PolarHBondContact O-N 2.82Å; I690-E692 VanDerWaalsContact C-N 3.34Å; I690-E692 PolarHBondContact O-N 3.45Å; E692-E694 PolarHBondContact O-N 2.97Å; E692-N695 WeakPolarHBondContact O-CB 3.1Å; E692-N695 PolarHBondContact O-N 3.14Å; E692-V696 WeakPolarHBondContact O-CG2 3.15Å; E692-V696 PolarHBondContact O-N 3.19Å; E692-V696 VanDerWaalsContact O-N 3.12Å
693T87.9Confident88.3Confident15 Ų1574.6 Ų74.69%0.09236%0.358CS..Hα-helixtrans-68.8-34.1-180-48.20000112I479 E482 L483 E689 I690 V696 R697I479-T693 HydrophobicContact CG2-CG2 4.1Å; E482-T693 HydrophobicContact CG-CG2 4.3Å; L483-T693 HydrophobicContact CD1-CG2 4.39Å; L483-T693 HydrophobicContact CD2-CG2 3.88Å; L483-T693 HydrophobicContact CG-CG2 3.65Å; E689-T693 WeakPolarHBondContact O-CB 3.41Å; E689-T693 PolarHBondContact O-N 3.01Å; E689-T693 PolarHBondContact O-OG1 3.34Å; I690-T693 PolarHBondContact O-N 3.28Å; T693-V696 PolarHBondContact O-N 3.1Å; T693-R697 PolarHBondContact O-N 2.78Å
694E87.6Confident88.3Confident69 Ų6975.9 Ų75.932%0.32236%0.363SS..Hα-helixtrans-64.1-38.5173-76.4-175.1166.600112.1L483 R487 I690 E692 R697 E698L483-E694 HydrophobicContact CD1-CG 4.29Å; L483-E694 HydrophobicContact CD2-CG 3.66Å; R487-E694 IonicContact CZ-OE1 3.88Å; R487-E694 IonicContact NE-OE1 3.21Å; R487-E694 IonicContact NH2-OE1 3.69Å; R487-E694 PolarHBondContact NH2-OE1 3.48Å; I690-E694 HydrophobicContact CG2-CG 4.25Å; I690-E694 WeakPolarHBondContact O-CB 3.29Å; I690-E694 WeakPolarHBondContact O-CG 3.3Å; I690-E694 PolarHBondContact O-N 2.89Å; E692-E694 PolarHBondContact O-N 2.97Å; E694-R697 WeakPolarHBondContact O-CB 3.35Å; E694-R697 PolarHBondContact O-N 3.43Å; E694-E698 PolarHBondContact O-N 3Å
695N88.7Confident88.4Confident86 Ų8679.2 Ų79.246%0.4638%0.379SS..Hα-helixtrans-64.5-40.3173.6-68.7-30.5000111.7Q691 E692 R697 E698 N699Q691-N695 VanDerWaalsContact O-CG 3.29Å; Q691-N695 PolarHBondContact O-N 2.9Å; Q691-N695 VanDerWaalsContact O-N 3.16Å; Q691-N695 PolarHBondContact O-ND2 3.3Å; E692-N695 WeakPolarHBondContact O-CB 3.1Å; E692-N695 PolarHBondContact O-N 3.14Å; N695-R697 VanDerWaalsContact C-N 3.33Å; N695-E698 PolarHBondContact O-N 2.94Å; N695-N699 PolarHBondContact O-N 2.83Å; N695-N699 VanDerWaalsContact O-N 3.15Å; N695-N699 PolarHBondContact O-ND2 2.95Å
696V89.5Confident88.5Confident77 Ų7779 Ų7947%0.46738%0.38SS..Hα-helixtrans-63-41.7174.6177.20000110.7I479 E692 T693 E698 N699 N700I479-V696 HydrophobicContact CD1-CG1 3.82Å; I479-V696 HydrophobicContact CG1-CG1 4.28Å; E692-V696 WeakPolarHBondContact O-CG2 3.15Å; E692-V696 PolarHBondContact O-N 3.19Å; E692-V696 VanDerWaalsContact O-N 3.12Å; T693-V696 PolarHBondContact O-N 3.1Å; V696-E698 PolarHBondContact O-N 3.5Å; V696-N699 PolarHBondContact O-N 2.94Å; V696-N700 PolarHBondContact O-N 3.39Å
697R89.2Confident88.5Confident123 Ų12379.4 Ų79.446%0.46438%0.382SS..Hα-helixtrans-59.4-44.1175.4-167.1-168.969.2164.42.2112.1I479 L483 T693 E694 N695 N699 N700 A701I479-R697 HydrophobicContact CG2-CB 3.7Å; I479-R697 HydrophobicContact CG2-CG 4.04Å; L483-R697 HydrophobicContact CD1-CB 4.2Å; L483-R697 HydrophobicContact CD1-CG 4.39Å; T693-R697 PolarHBondContact O-N 2.78Å; E694-R697 WeakPolarHBondContact O-CB 3.35Å; E694-R697 PolarHBondContact O-N 3.43Å; N695-R697 VanDerWaalsContact C-N 3.33Å; R697-N699 VanDerWaalsContact C-N 3.33Å; R697-N699 PolarHBondContact O-N 3.31Å; R697-N700 PolarHBondContact O-N 2.94Å; R697-A701 WeakPolarHBondContact O-CB 3.42Å; R697-A701 PolarHBondContact O-N 3.13Å
698E87.4Confident88.4Confident103 Ų10377.7 Ų77.748%0.48138%0.376SS..Hα-helixtrans-63.7-39.7179-163-167.7141.500111.9E694 N695 V696 A701 K702E694-E698 PolarHBondContact O-N 3Å; N695-E698 PolarHBondContact O-N 2.94Å; V696-E698 PolarHBondContact O-N 3.5Å; E698-A701 PolarHBondContact O-N 3.34Å; E698-K702 PolarHBondContact O-N 3.47Å; E698-K702 WeakPolarHBondContact OE1-CE 3.44Å; E698-K702 IonicContact OE1-NZ 2.82Å; E698-K702 PolarHBondContact OE1-NZ 3.04Å
699N89.4Confident88.4Confident104 Ų10474.9 Ų74.956%0.55637%0.367SS*.Hα-helixtrans-66.5-41.6176-72.4-27.7000112.2N695 V696 R697 A701 K702 R703N695-N699 PolarHBondContact O-N 2.83Å; N695-N699 VanDerWaalsContact O-N 3.15Å; N695-N699 PolarHBondContact O-ND2 2.95Å; V696-N699 PolarHBondContact O-N 2.94Å; R697-N699 VanDerWaalsContact C-N 3.33Å; R697-N699 PolarHBondContact O-N 3.31Å; N699-A701 VanDerWaalsContact C-N 3.33Å; N699-A701 PolarHBondContact O-N 3.19Å; N699-K702 PolarHBondContact O-N 2.86Å; N699-R703 PolarHBondContact O-N 3.43Å; N699-R703 VanDerWaalsContact O-N 3.13Å
700N88.5Confident88.5Confident13 Ų1376.3 Ų76.37%0.0737%0.374CS..Hα-helixtrans-66.9-35.7177-161.329.8000112V472 E476 I479 V696 R697 K702 R703 K704V472-N700 PolarHBondContact O-ND2 2.98Å; E476-N700 PolarHBondContact N-ND2 3.01Å; I479-N700 HydrophobicContact CD1-CB 3.98Å; V696-N700 PolarHBondContact O-N 3.39Å; R697-N700 PolarHBondContact O-N 2.94Å; N700-K702 VanDerWaalsContact C-N 3.35Å; N700-K702 PolarHBondContact O-N 3.21Å; N700-R703 WeakPolarHBondContact O-CB 3.32Å; N700-R703 PolarHBondContact O-N 2.99Å; N700-K704 PolarHBondContact O-N 3.46Å
701A86.3Confident88.4Confident47 Ų4775.7 Ų75.739%0.38837%0.371SS..Hα-helixtrans-60.9-40.6173.900000112.5R697 E698 N699 K704 E705R697-A701 WeakPolarHBondContact O-CB 3.42Å; R697-A701 PolarHBondContact O-N 3.13Å; E698-A701 PolarHBondContact O-N 3.34Å; N699-A701 VanDerWaalsContact C-N 3.33Å; N699-A701 PolarHBondContact O-N 3.19Å; A701-K704 WeakPolarHBondContact O-CB 3.18Å; A701-K704 PolarHBondContact O-N 2.81Å; A701-E705 PolarHBondContact O-N 2.99Å; A701-E705 VanDerWaalsContact O-N 3.16Å
702K89.1Confident88.3Confident97 Ų9774.3 Ų74.342%0.42237%0.367SS..Hα-helixtrans-64.7-39.1173.8-70.1170-173.41590112E698 N699 N700 E705 Q706E698-K702 PolarHBondContact O-N 3.47Å; E698-K702 WeakPolarHBondContact OE1-CE 3.44Å; E698-K702 IonicContact OE1-NZ 2.82Å; E698-K702 PolarHBondContact OE1-NZ 3.04Å; N699-K702 PolarHBondContact O-N 2.86Å; N700-K702 VanDerWaalsContact C-N 3.35Å; N700-K702 PolarHBondContact O-N 3.21Å; K702-E705 PolarHBondContact O-N 3.25Å; K702-Q706 WeakPolarHBondContact O-CG 3.48Å; K702-Q706 PolarHBondContact O-N 3.47Å
703R89.5Confident88.3Confident113 Ų11376.8 Ų76.843%0.42637%0.372SS..Hα-helixtrans-65.3-42.5177-172177.6178.7178.8-1.1111.6V472 E475 N699 N700 E705 Q706 V707V472-R703 HydrophobicContact CG2-CG 4.05Å; E475-R703 IonicContact OE2-NH1 3.9Å; N699-R703 PolarHBondContact O-N 3.43Å; N699-R703 VanDerWaalsContact O-N 3.13Å; N700-R703 WeakPolarHBondContact O-CB 3.32Å; N700-R703 PolarHBondContact O-N 2.99Å; R703-E705 PolarHBondContact O-N 3.44Å; R703-Q706 WeakPolarHBondContact O-CB 3.47Å; R703-Q706 PolarHBondContact O-N 3.3Å; R703-V707 WeakPolarHBondContact O-CG2 3.32Å; R703-V707 PolarHBondContact O-N 2.81Å
704K86.9Confident88.3Confident43 Ų4376.5 Ų76.519%0.18737%0.369CS..Hα-helixtrans-56.1-49.1174.1-179.7176.7172.9171.30112.1V472 Y473 E476 N700 A701 Q706 V707 D708V472-K704 HydrophobicContact CG1-CB 3.73Å; V472-K704 HydrophobicContact CG1-CG 4.4Å; Y473-K704 HydrophobicContact CE2-CD 4.21Å; Y473-K704 HydrophobicContact CE2-CG 4.16Å; Y473-K704 VanDerWaalsContact OH-CE 3.31Å; Y473-K704 WeakPolarHBondContact OH-CE 3.46Å; E476-K704 VanDerWaalsContact CD-NZ 3.28Å; E476-K704 IonicContact OE1-NZ 3.7Å; E476-K704 PolarHBondContact OE1-NZ 3.03Å; E476-K704 VanDerWaalsContact OE1-NZ 3.1Å; E476-K704 WeakPolarHBondContact OE2-CD 3.28Å; E476-K704 WeakPolarHBondContact OE2-CE 3.5Å; E476-K704 IonicContact OE2-NZ 3.93Å; E476-K704 PolarHBondContact OE2-NZ 3.43Å; N700-K704 PolarHBondContact O-N 3.46Å; A701-K704 WeakPolarHBondContact O-CB 3.18Å; A701-K704 PolarHBondContact O-N 2.81Å; K704-Q706 VanDerWaalsContact C-N 3.29Å; K704-Q706 PolarHBondContact O-N 3.39Å; K704-V707 PolarHBondContact O-N 2.94Å; K704-D708 PolarHBondContact O-N 3.43Å
705E87.6Confident88.2Confident143 Ų14375.9 Ų75.967%0.66837%0.368SS*.Hα-helixtrans-60.3-38177.9-168.8179.7-177.600112.4A701 K702 R703 A709A701-E705 PolarHBondContact O-N 2.99Å; A701-E705 VanDerWaalsContact O-N 3.16Å; K702-E705 PolarHBondContact O-N 3.25Å; R703-E705 PolarHBondContact O-N 3.44Å; E705-A709 VanDerWaalsContact O-CB 3.31Å; E705-A709 WeakPolarHBondContact O-CB 3.4Å; E705-A709 PolarHBondContact O-N 3.37Å
706Q90.4Very high88.1Confident128 Ų12875.8 Ų75.860%0.59837%0.367SS*.Hα-helixtrans-66.7-45.1176.7-71.4173.32.600112.8K702 R703 K704 A709 Q710K702-Q706 WeakPolarHBondContact O-CG 3.48Å; K702-Q706 PolarHBondContact O-N 3.47Å; R703-Q706 WeakPolarHBondContact O-CB 3.47Å; R703-Q706 PolarHBondContact O-N 3.3Å; K704-Q706 VanDerWaalsContact C-N 3.29Å; K704-Q706 PolarHBondContact O-N 3.39Å; Q706-A709 PolarHBondContact O-N 2.99Å; Q706-Q710 WeakPolarHBondContact O-CG 3.46Å; Q706-Q710 PolarHBondContact O-N 2.85Å
707V89.3Confident88Confident10 Ų1075.2 Ų75.26%0.06136%0.361CS..Hα-helixtrans-65.4-43.8179.2172.30000110.7I465 R469 V472 R703 K704 A709 Q710 I711I465-V707 HydrophobicContact CG2-CG1 3.85Å; R469-V707 HydrophobicContact CB-CG1 3.68Å; R469-V707 HydrophobicContact CG-CG1 4.16Å; V472-V707 HydrophobicContact CG2-CG2 4.41Å; R703-V707 WeakPolarHBondContact O-CG2 3.32Å; R703-V707 PolarHBondContact O-N 2.81Å; K704-V707 PolarHBondContact O-N 2.94Å; V707-A709 VanDerWaalsContact C-N 3.32Å; V707-A709 PolarHBondContact O-N 3.31Å; V707-Q710 PolarHBondContact O-N 3.37Å; V707-I711 HydrophobicContact CG1-CD1 4.19Å; V707-I711 PolarHBondContact O-N 3.39Å
708D85.9Confident87.8Confident42 Ų4270.2 Ų70.223%0.22535%0.345CS..Hα-helixtrans-63-38.8176.1-74.7-26.9000111.7R469 K704 Q710 I711 N712R469-D708 WeakPolarHBondContact CD-OD1 3.3Å; K704-D708 PolarHBondContact O-N 3.43Å; D708-Q710 VanDerWaalsContact C-N 3.35Å; D708-Q710 PolarHBondContact O-N 2.94Å; D708-I711 PolarHBondContact O-N 2.71Å; D708-N712 VanDerWaalsContact O-CG 3.3Å; D708-N712 PolarHBondContact O-N 3.46Å; D708-N712 VanDerWaalsContact O-N 3.11Å; D708-N712 PolarHBondContact O-ND2 2.93Å
709A88.7Confident87.6Confident39 Ų3970.8 Ų70.832%0.32235%0.347SS..Hα-helixtrans-65.2-35.2174.700000113.1E705 Q706 V707 R713E705-A709 VanDerWaalsContact O-CB 3.31Å; E705-A709 WeakPolarHBondContact O-CB 3.4Å; E705-A709 PolarHBondContact O-N 3.37Å; Q706-A709 PolarHBondContact O-N 2.99Å; V707-A709 VanDerWaalsContact C-N 3.32Å; V707-A709 PolarHBondContact O-N 3.31Å; A709-R713 WeakPolarHBondContact O-CG 3.41Å; A709-R713 PolarHBondContact O-N 3.5Å
710Q89.5Confident87.5Confident88 Ų8873.7 Ų73.741%0.41135%0.351SS..Hα-helixtrans-68.2-45.9175.7-74.6175.2-16.300111.8I465 Q706 V707 D708 N712 R713 I714I465-Q710 HydrophobicContact CD1-CB 3.92Å; I465-Q710 HydrophobicContact CG2-CB 4.24Å; Q706-Q710 WeakPolarHBondContact O-CG 3.46Å; Q706-Q710 PolarHBondContact O-N 2.85Å; V707-Q710 PolarHBondContact O-N 3.37Å; D708-Q710 VanDerWaalsContact C-N 3.35Å; D708-Q710 PolarHBondContact O-N 2.94Å; Q710-N712 VanDerWaalsContact C-N 3.31Å; Q710-N712 PolarHBondContact O-N 3.35Å; Q710-R713 PolarHBondContact O-N 3.25Å; Q710-I714 PolarHBondContact O-N 2.96Å; Q710-I714 VanDerWaalsContact O-N 3.11Å
711I87.5Confident87.5Confident4 Ų476 Ų762%0.02136%0.36CS..Hα-helixtrans-58.7-44.8177.7-70.2170.9000110.8I465 R469 V707 D708 R713 I714 I715I465-I711 HydrophobicContact CB-CG1 4.18Å; I465-I711 HydrophobicContact CG2-CD1 4.03Å; I465-I711 HydrophobicContact CG2-CG1 3.51Å; R469-I711 HydrophobicContact CB-CD1 3.93Å; R469-I711 HydrophobicContact CG-CD1 4.3Å; V707-I711 HydrophobicContact CG1-CD1 4.19Å; V707-I711 PolarHBondContact O-N 3.39Å; D708-I711 PolarHBondContact O-N 2.71Å; I711-R713 VanDerWaalsContact C-N 3.33Å; I711-R713 PolarHBondContact O-N 2.61Å; I711-I714 PolarHBondContact O-N 3.46Å; I711-I715 HydrophobicContact CG2-CD1 3.67Å; I711-I715 HydrophobicContact CG2-CG1 4.31Å; I711-I715 VanDerWaalsContact O-CG1 3.32Å; I711-I715 WeakPolarHBondContact O-CG1 3.44Å; I711-I715 PolarHBondContact O-N 3.39Å
712N86Confident87.1Confident96 Ų9676.5 Ų76.551%0.51336%0.356SS..Hα-helixtrans-61.8-39.5179.3-71.8-27.1000112.4D708 Q710 I715 D716D708-N712 VanDerWaalsContact O-CG 3.3Å; D708-N712 PolarHBondContact O-N 3.46Å; D708-N712 VanDerWaalsContact O-N 3.11Å; D708-N712 PolarHBondContact O-ND2 2.93Å; Q710-N712 VanDerWaalsContact C-N 3.31Å; Q710-N712 PolarHBondContact O-N 3.35Å; N712-I715 PolarHBondContact O-N 3.3Å; N712-D716 PolarHBondContact O-N 3.01Å
713R90.3Very high86.9Confident173 Ų17375.6 Ų75.665%0.65336%0.359SS*.Hα-helixtrans-62.8-43.4175.3-71.3173.7-169.5173.25.2112.2A709 Q710 I711 D716 D717A709-R713 WeakPolarHBondContact O-CG 3.41Å; A709-R713 PolarHBondContact O-N 3.5Å; Q710-R713 PolarHBondContact O-N 3.25Å; I711-R713 VanDerWaalsContact C-N 3.33Å; I711-R713 PolarHBondContact O-N 2.61Å; R713-D716 PolarHBondContact O-N 3.47Å; R713-D717 PolarHBondContact O-N 3.25Å
714I87.9Confident86.8Confident8 Ų872.8 Ų72.84%0.04135%0.354CS..Hα-helixtrans-66.6-40.2179.2-63.8174.6000110.8L458 E461 K462 I465 Q710 I711 D716 D717 V718L458-I714 HydrophobicContact CB-CG2 4.41Å; L458-I714 HydrophobicContact CD2-CG2 4.47Å; L458-I714 WeakPolarHBondContact O-CG2 3.32Å; E461-I714 HydrophobicContact CB-CD1 4.17Å; E461-I714 HydrophobicContact CG-CD1 3.73Å; K462-I714 HydrophobicContact CB-CG2 3.77Å; K462-I714 HydrophobicContact CG-CG2 4.39Å; I465-I714 HydrophobicContact CD1-CD1 3.47Å; I465-I714 VanDerWaalsContact CD1-CD1 3.47Å; I465-I714 HydrophobicContact CG1-CD1 4.42Å; Q710-I714 PolarHBondContact O-N 2.96Å; Q710-I714 VanDerWaalsContact O-N 3.11Å; I711-I714 PolarHBondContact O-N 3.46Å; I714-D716 VanDerWaalsContact C-N 3.33Å; I714-D716 PolarHBondContact O-N 3.47Å; I714-D717 PolarHBondContact O-N 2.95Å; I714-V718 HydrophobicContact CG2-CG2 4.3Å; I714-V718 VanDerWaalsContact O-CG2 3.31Å; I714-V718 WeakPolarHBondContact O-CG2 3.33Å; I714-V718 PolarHBondContact O-N 2.68Å
715I84.9Confident86.6Confident57 Ų5774 Ų7429%0.29236%0.357SS..Hα-helixtrans-59.8-44.9175.6-69.6170.1000110.9I711 N712 D717 V718 Q719I711-I715 HydrophobicContact CG2-CD1 3.67Å; I711-I715 HydrophobicContact CG2-CG1 4.31Å; I711-I715 VanDerWaalsContact O-CG1 3.32Å; I711-I715 WeakPolarHBondContact O-CG1 3.44Å; I711-I715 PolarHBondContact O-N 3.39Å; N712-I715 PolarHBondContact O-N 3.3Å; I715-D717 VanDerWaalsContact C-N 3.33Å; I715-D717 PolarHBondContact O-N 3.44Å; I715-V718 PolarHBondContact O-N 3.24Å; I715-Q719 WeakPolarHBondContact O-CG 3.44Å; I715-Q719 PolarHBondContact O-N 3.01Å; I715-Q719 VanDerWaalsContact O-N 3.09Å
716D85.9Confident86.3Confident84 Ų8470 Ų7045%0.44935%0.345SS..Hα-helixtrans-61-42176.7-75.1-12.4000111.8N712 R713 I714 Q719 R720N712-D716 PolarHBondContact O-N 3.01Å; R713-D716 PolarHBondContact O-N 3.47Å; I714-D716 VanDerWaalsContact C-N 3.33Å; I714-D716 PolarHBondContact O-N 3.47Å; D716-Q719 PolarHBondContact O-N 2.7Å; D716-R720 WeakPolarHBondContact O-CG 3.36Å; D716-R720 PolarHBondContact O-N 2.95Å
717D88.3Confident86.1Confident64 Ų6470.3 Ų70.334%0.34234%0.344SS..Hα-helixtrans-69.5-38.3179.4-76.3-22.6000112.5L458 R713 I714 I715 Q719 R720 K721L458-D717 HydrophobicContact CD1-CB 3.95Å; L458-D717 HydrophobicContact CD2-CB 4.35Å; R713-D717 PolarHBondContact O-N 3.25Å; I714-D717 PolarHBondContact O-N 2.95Å; I715-D717 VanDerWaalsContact C-N 3.33Å; I715-D717 PolarHBondContact O-N 3.44Å; D717-Q719 PolarHBondContact O-N 3.11Å; D717-R720 PolarHBondContact O-N 3.12Å; D717-R720 IonicContact OD1-NH1 3.93Å; D717-K721 WeakPolarHBondContact O-CG 3.47Å; D717-K721 PolarHBondContact O-N 2.83Å
718V85.5Confident86Confident18 Ų1871.7 Ų71.711%0.10935%0.35CS..Hα-helixtrans-60.1-45.8173.1171.50000110.6L458 I714 I715 R720 K721 D722L458-V718 HydrophobicContact CB-CG2 3.7Å; L458-V718 HydrophobicContact CD1-CG2 4.34Å; I714-V718 HydrophobicContact CG2-CG2 4.3Å; I714-V718 VanDerWaalsContact O-CG2 3.31Å; I714-V718 WeakPolarHBondContact O-CG2 3.33Å; I714-V718 PolarHBondContact O-N 2.68Å; I715-V718 PolarHBondContact O-N 3.24Å; V718-R720 VanDerWaalsContact C-N 3.34Å; V718-R720 PolarHBondContact O-N 3.35Å; V718-K721 PolarHBondContact O-N 2.85Å; V718-D722 PolarHBondContact O-N 3.13Å
719Q82.8Confident85.6Confident115 Ų11572.9 Ų72.954%0.53735%0.354SS..Hα-helixtrans-63.4-37.6178-72.5-177.93.600112.9I715 D716 D717 D722 T723I715-Q719 WeakPolarHBondContact O-CG 3.44Å; I715-Q719 PolarHBondContact O-N 3.01Å; I715-Q719 VanDerWaalsContact O-N 3.09Å; D716-Q719 PolarHBondContact O-N 2.7Å; D717-Q719 PolarHBondContact O-N 3.11Å; Q719-D722 PolarHBondContact O-N 3.2Å; Q719-T723 PolarHBondContact O-N 3.24Å; Q719-T723 VanDerWaalsContact O-N 3.09Å; Q719-T723 PolarHBondContact O-OG1 3.47Å
720R87.7Confident85.2Confident166 Ų16677.5 Ų77.563%0.62637%0.371SS*.Hα-helixtrans-62.8-45.5174.9-73.6171.1-176.8-1791.1111.2D716 D717 V718 T723 V724D716-R720 WeakPolarHBondContact O-CG 3.36Å; D716-R720 PolarHBondContact O-N 2.95Å; D717-R720 PolarHBondContact O-N 3.12Å; D717-R720 IonicContact OD1-NH1 3.93Å; V718-R720 VanDerWaalsContact C-N 3.34Å; V718-R720 PolarHBondContact O-N 3.35Å; R720-T723 WeakPolarHBondContact O-CB 3.19Å; R720-T723 PolarHBondContact O-N 3.02Å; R720-V724 WeakPolarHBondContact O-CG2 3.34Å; R720-V724 PolarHBondContact O-N 2.8Å; R720-V724 VanDerWaalsContact O-N 3.12Å
721K87.4Confident85Confident61 Ų6176.2 Ų76.227%0.26537%0.369SS..Hα-helixtrans-66.6-39178.7-65.7-66.2-178.8176.20112V451 E454 L458 D717 V718 T723 V724 R725V451-K721 HydrophobicContact CG1-CB 4.36Å; E454-K721 VanDerWaalsContact CD-NZ 3.28Å; E454-K721 IonicContact OE1-NZ 2.85Å; E454-K721 PolarHBondContact OE1-NZ 2.94Å; E454-K721 WeakPolarHBondContact OE2-CE 3.2Å; E454-K721 IonicContact OE2-NZ 2.65Å; E454-K721 PolarHBondContact OE2-NZ 2.88Å; L458-K721 HydrophobicContact CD1-CG 4.12Å; D717-K721 WeakPolarHBondContact O-CG 3.47Å; D717-K721 PolarHBondContact O-N 2.83Å; V718-K721 PolarHBondContact O-N 2.85Å; K721-T723 VanDerWaalsContact C-N 3.3Å; K721-T723 PolarHBondContact O-N 2.76Å; K721-V724 PolarHBondContact O-N 3.44Å; K721-R725 PolarHBondContact O-N 2.95Å
722D79.3Confident84.8Confident58 Ų5878.8 Ų78.831%0.3138%0.38SS..Hα-helixtrans-57.7-42.4172.4-86.1-40.4000112.4Q455 V718 Q719 V724 R725 S726Q455-D722 PolarHBondContact NE2-OD1 2.92Å; Q455-D722 PolarHBondContact NE2-OD2 3.34Å; V718-D722 PolarHBondContact O-N 3.13Å; Q719-D722 PolarHBondContact O-N 3.2Å; D722-V724 PolarHBondContact O-N 2.84Å; D722-R725 PolarHBondContact O-N 2.93Å; D722-S726 WeakPolarHBondContact O-CB 3.49Å; D722-S726 PolarHBondContact O-N 3.22Å
723T83.5Confident84.3Confident77 Ų7778.3 Ų78.347%0.47238%0.378SS..Hα-helixtrans-65.4-39.1177.6-55.10000112Q719 R720 K721 K727Q719-T723 PolarHBondContact O-N 3.24Å; Q719-T723 VanDerWaalsContact O-N 3.09Å; Q719-T723 PolarHBondContact O-OG1 3.47Å; R720-T723 WeakPolarHBondContact O-CB 3.19Å; R720-T723 PolarHBondContact O-N 3.02Å; K721-T723 VanDerWaalsContact C-N 3.3Å; K721-T723 PolarHBondContact O-N 2.76Å; T723-K727 WeakPolarHBondContact O-CG 3.42Å; T723-K727 PolarHBondContact O-N 2.87Å
724V87.2Confident84Confident55 Ų5576.5 Ų76.533%0.33338%0.375SS..Hα-helixtrans-67.1-47.1177.2172.90000110.4V451 R720 K721 D722 S726 K727 H728V451-V724 HydrophobicContact CG1-CG1 4.44Å; V451-V724 HydrophobicContact CG2-CG1 3.92Å; R720-V724 WeakPolarHBondContact O-CG2 3.34Å; R720-V724 PolarHBondContact O-N 2.8Å; R720-V724 VanDerWaalsContact O-N 3.12Å; K721-V724 PolarHBondContact O-N 3.44Å; D722-V724 PolarHBondContact O-N 2.84Å; V724-S726 PolarHBondContact O-N 3.36Å; V724-K727 WeakPolarHBondContact O-CB 3.41Å; V724-K727 PolarHBondContact O-N 2.83Å; V724-K727 VanDerWaalsContact O-N 3.15Å; V724-H728 WeakPolarHBondContact CG1-NE2 3.42Å; V724-H728 PolarHBondContact O-CD2 3.31Å; V724-H728 PolarHBondContact O-N 2.92Å; V724-H728 VanDerWaalsContact O-N 3.1Å
725R84Confident83.8Confident68 Ų6877.7 Ų77.726%0.25738%0.381SS..Hα-helixtrans-56-48.8176.6-176.4-177.7141.3-171-2.8111.9V451 K721 D722 K727 H728 E729V451-R725 HydrophobicContact CG1-CB 3.87Å; K721-R725 PolarHBondContact O-N 2.95Å; D722-R725 PolarHBondContact O-N 2.93Å; R725-K727 VanDerWaalsContact C-N 3.28Å; R725-K727 PolarHBondContact O-N 2.83Å; R725-H728 PolarHBondContact O-N 3.48Å; R725-H728 VanDerWaalsContact O-N 3.1Å; R725-E729 HydrophobicContact CG-CG 4.48Å; R725-E729 IonicContact CZ-OE1 2.82Å; R725-E729 IonicContact NE-OE1 2.77Å; R725-E729 PolarHBondContact NE-OE1 3.49Å; R725-E729 IonicContact NH2-OE1 3.87Å; R725-E729 PolarHBondContact NH2-OE1 2.82Å; R725-E729 WeakPolarHBondContact O-CG 3.37Å; R725-E729 PolarHBondContact O-N 3.41Å
726S81Confident83.4Confident58 Ų5879.6 Ų79.641%0.40639%0.387SS..Hα-helixtrans-59.4-37178.6-176.10000112.7D722 V724 E729 M730D722-S726 WeakPolarHBondContact O-CB 3.49Å; D722-S726 PolarHBondContact O-N 3.22Å; V724-S726 PolarHBondContact O-N 3.36Å; S726-E729 PolarHBondContact O-N 3.29Å; S726-M730 WeakPolarHBondContact O-CG 3.32Å; S726-M730 PolarHBondContact O-N 2.94Å
727K85.3Confident83.1Confident135 Ų13581.2 Ų81.259%0.58739%0.39SS*.Hα-helixtrans-64.3-45174.2-72.7174.3-177.7177.10111.9T723 V724 R725 M730 T731T723-K727 WeakPolarHBondContact O-CG 3.42Å; T723-K727 PolarHBondContact O-N 2.87Å; V724-K727 WeakPolarHBondContact O-CB 3.41Å; V724-K727 PolarHBondContact O-N 2.83Å; V724-K727 VanDerWaalsContact O-N 3.15Å; R725-K727 VanDerWaalsContact C-N 3.28Å; R725-K727 PolarHBondContact O-N 2.83Å; K727-M730 PolarHBondContact O-N 3.27Å; K727-T731 WeakPolarHBondContact O-CG2 3.44Å; K727-T731 PolarHBondContact O-N 3.42Å; K727-T731 PolarHBondContact O-OG1 3.49Å
728H86.9Confident82.9Confident40 Ų4080.1 Ų80.119%0.18538%0.384CS..Hα-helixtrans-65.2-40.8177.9-66.6-67.6000111.6V444 E447 L448 V724 R725 M730 T731 F732V444-H728 HydrophobicContact CG1-CB 4.13Å; V444-H728 WeakPolarHBondContact CG1-O 3.34Å; E447-H728 IonicContact OE2-CE1 2.74Å; E447-H728 PolarHBondContact OE2-CE1 3.33Å; E447-H728 IonicContact OE2-ND1 3.2Å; E447-H728 PolarHBondContact OE2-ND1 3.3Å; L448-H728 HydrophobicContact CD1-CB 3.69Å; V724-H728 WeakPolarHBondContact CG1-NE2 3.42Å; V724-H728 PolarHBondContact O-CD2 3.31Å; V724-H728 PolarHBondContact O-N 2.92Å; V724-H728 VanDerWaalsContact O-N 3.1Å; R725-H728 PolarHBondContact O-N 3.48Å; R725-H728 VanDerWaalsContact O-N 3.1Å; H728-M730 PolarHBondContact O-N 3.32Å; H728-T731 VanDerWaalsContact CA-OG1 3.32Å; H728-T731 WeakPolarHBondContact CA-OG1 3.49Å; H728-T731 PolarHBondContact O-N 3.3Å; H728-T731 PolarHBondContact O-OG1 2.77Å; H728-F732 WeakPolarHBondContact O-CB 3.41Å; H728-F732 PolarHBondContact O-N 2.91Å
729E78Confident82.8Confident66 Ų6679.9 Ų79.931%0.30838%0.382SS..Hα-helixtrans-57.7-45.6173.9-70.8179-179.700111.2L448 R725 S726 T731 F732 D733L448-E729 HydrophobicContact CD1-CB 4.38Å; L448-E729 HydrophobicContact CD1-CG 3.71Å; L448-E729 HydrophobicContact CD2-CG 4.2Å; L448-E729 HydrophobicContact CG-CG 4.38Å; R725-E729 HydrophobicContact CG-CG 4.48Å; R725-E729 IonicContact CZ-OE1 2.82Å; R725-E729 IonicContact NE-OE1 2.77Å; R725-E729 PolarHBondContact NE-OE1 3.49Å; R725-E729 IonicContact NH2-OE1 3.87Å; R725-E729 PolarHBondContact NH2-OE1 2.82Å; R725-E729 WeakPolarHBondContact O-CG 3.37Å; R725-E729 PolarHBondContact O-N 3.41Å; S726-E729 PolarHBondContact O-N 3.29Å; E729-T731 PolarHBondContact O-N 3.15Å; E729-F732 PolarHBondContact O-N 3.42Å; E729-D733 PolarHBondContact O-N 3.32Å
730M81.4Confident82.4Confident136 Ų13680.3 Ų80.367%0.6738%0.384SS*.Hα-helixtrans-63.6-37.8176.5-71.6-17881.500113.1S726 K727 H728 K734S726-M730 WeakPolarHBondContact O-CG 3.32Å; S726-M730 PolarHBondContact O-N 2.94Å; K727-M730 PolarHBondContact O-N 3.27Å; H728-M730 PolarHBondContact O-N 3.32Å; M730-K734 PolarHBondContact O-N 2.96Å
731T84.7Confident82.1Confident62 Ų6277.1 Ų77.138%0.3838%0.378SS..Hα-helixtrans-68.6-39.1176.551.70000112.2V444 K727 H728 E729 K734 L735V444-T731 WeakPolarHBondContact CG1-OG1 3.41Å; K727-T731 WeakPolarHBondContact O-CG2 3.44Å; K727-T731 PolarHBondContact O-N 3.42Å; K727-T731 PolarHBondContact O-OG1 3.49Å; H728-T731 VanDerWaalsContact CA-OG1 3.32Å; H728-T731 WeakPolarHBondContact CA-OG1 3.49Å; H728-T731 PolarHBondContact O-N 3.3Å; H728-T731 PolarHBondContact O-OG1 2.77Å; E729-T731 PolarHBondContact O-N 3.15Å; T731-K734 PolarHBondContact O-N 3.07Å; T731-L735 WeakPolarHBondContact O-CG 3.42Å; T731-L735 PolarHBondContact O-N 2.76Å
732F83.1Confident82Confident57 Ų5777.1 Ų77.125%0.2538%0.376CS..Hα-helixtrans-61.9-46.9176.7-172.4-94.8000111.3M441 V444 R445 H728 E729 K734 L735 K736M441-F732 HydrophobicContact CG-CD2 3.78Å; M441-F732 HydrophobicContact CG-CE2 3.39Å; M441-F732 HydrophobicContact CG-CZ 4.01Å; M441-F732 HydrophobicContact SD-CE2 4.26Å; M441-F732 HydrophobicContact SD-CZ 4.29Å; V444-F732 HydrophobicContact CG1-CB 3.99Å; V444-F732 HydrophobicContact CG1-CD2 4.42Å; R445-F732 HydrophobicContact CB-CE2 4.16Å; H728-F732 WeakPolarHBondContact O-CB 3.41Å; H728-F732 PolarHBondContact O-N 2.91Å; E729-F732 PolarHBondContact O-N 3.42Å; F732-K734 VanDerWaalsContact C-N 3.28Å; F732-K734 PolarHBondContact O-N 3.39Å; F732-L735 PolarHBondContact O-N 3.17Å; F732-K736 PolarHBondContact O-N 3.02Å
733D75.4Confident82.1Confident86 Ų8679.1 Ų79.146%0.4638%0.382SS..Hα-helixtrans-62.9-31.2176.9-99.13.8000113.9E729 K737E729-D733 PolarHBondContact O-N 3.32Å; D733-K737 WeakPolarHBondContact O-CG 3.38Å; D733-K737 PolarHBondContact O-N 3.38Å
734K83.7Confident81.8Confident136 Ų13679.7 Ų79.759%0.59138%0.379SS*.Hα-helixtrans-71-50.6176.1-173.5-175.1173.4-168.40110.7M730 T731 F732 K736 K737 D738M730-K734 PolarHBondContact O-N 2.96Å; T731-K734 PolarHBondContact O-N 3.07Å; F732-K734 VanDerWaalsContact C-N 3.28Å; F732-K734 PolarHBondContact O-N 3.39Å; K734-K736 VanDerWaalsContact C-N 3.28Å; K734-K736 PolarHBondContact O-N 3.41Å; K734-K737 PolarHBondContact O-N 3.24Å; K734-K737 VanDerWaalsContact O-N 3.1Å; K734-D738 PolarHBondContact O-N 3.08Å; K734-D738 VanDerWaalsContact O-N 3.08Å
735L84Confident81.5Confident32 Ų3280.3 Ų80.317%0.16838%0.379CS..Hα-helixtrans-57.1-42.2177.9-73168.1000111.5A437 N440 M441 V444 T731 F732 K737 D738 I739A437-L735 HydrophobicContact CB-CD2 4.34Å; N440-L735 HydrophobicContact CB-CD1 3.98Å; N440-L735 HydrophobicContact CB-CD2 4.3Å; M441-L735 HydrophobicContact CB-CB 4.42Å; M441-L735 HydrophobicContact CB-CD1 4.36Å; V444-L735 HydrophobicContact CG2-CD1 4.27Å; T731-L735 WeakPolarHBondContact O-CG 3.42Å; T731-L735 PolarHBondContact O-N 2.76Å; F732-L735 PolarHBondContact O-N 3.17Å; L735-K737 VanDerWaalsContact C-N 3.3Å; L735-K737 PolarHBondContact O-N 2.78Å; L735-D738 PolarHBondContact O-N 3.41Å; L735-I739 VanDerWaalsContact O-CG1 3.31Å; L735-I739 WeakPolarHBondContact O-CG1 3.33Å; L735-I739 PolarHBondContact O-N 3.49Å
736K76.9Confident81.5Confident98 Ų9878.4 Ų78.443%0.42637%0.373SS..Hα-helixtrans-57.6-39.1176.8-171175.6179.4179.30113F732 K734 H740F732-K736 PolarHBondContact O-N 3.02Å; K734-K736 VanDerWaalsContact C-N 3.28Å; K734-K736 PolarHBondContact O-N 3.41Å; K736-H740 PolarHBondContact O-N 3.49Å
737K79.3Confident81.4Confident117 Ų11779.6 Ų79.651%0.50937%0.369SS..Hα-helixtrans-74-41.2178.3-70.6171.3-169.3159.90112.4D733 K734 L735 I739 H740 M741D733-K737 WeakPolarHBondContact O-CG 3.38Å; D733-K737 PolarHBondContact O-N 3.38Å; K734-K737 PolarHBondContact O-N 3.24Å; K734-K737 VanDerWaalsContact O-N 3.1Å; L735-K737 VanDerWaalsContact C-N 3.3Å; L735-K737 PolarHBondContact O-N 2.78Å; K737-I739 VanDerWaalsContact C-N 3.34Å; K737-H740 PolarHBondContact O-N 3.01Å; K737-M741 PolarHBondContact O-N 3.41Å
738D82.9Confident81Confident41 Ų4174.7 Ų74.722%0.21936%0.356CS..Hα-helixtrans-62.5-44.3-179.9-67.7-20.1000110.3K734 L735 H740 M741 W742K734-D738 PolarHBondContact O-N 3.08Å; K734-D738 VanDerWaalsContact O-N 3.08Å; L735-D738 PolarHBondContact O-N 3.41Å; D738-H740 VanDerWaalsContact C-N 3.33Å; D738-H740 PolarHBondContact O-N 3.39Å; D738-M741 PolarHBondContact O-N 3.36Å; D738-W742 HydrophobicContact CB-CZ2 4.43Å; D738-W742 PolarHBondContact O-N 2.76Å
739I83.4Confident80.7Confident13 Ų1375.8 Ų75.87%0.06736%0.36CS..Hα-helixtrans-57.1-45.2174.3-67.9164.5000111.3A437 E438 M441 L735 K737 W742 K743A437-I739 HydrophobicContact CB-CD1 4.18Å; A437-I739 HydrophobicContact CB-CG1 3.73Å; E438-I739 HydrophobicContact CG-CD1 3.83Å; E438-I739 HydrophobicContact CG-CG1 4.34Å; E438-I739 HydrophobicContact CG-CG2 4.47Å; M441-I739 HydrophobicContact CE-CD1 4.34Å; M441-I739 HydrophobicContact SD-CD1 3.99Å; L735-I739 VanDerWaalsContact O-CG1 3.31Å; L735-I739 WeakPolarHBondContact O-CG1 3.33Å; L735-I739 PolarHBondContact O-N 3.49Å; K737-I739 VanDerWaalsContact C-N 3.34Å; I739-W742 PolarHBondContact O-N 2.79Å; I739-K743 HydrophobicContact CG2-CD 4.21Å; I739-K743 WeakPolarHBondContact O-CG 3.48Å; I739-K743 PolarHBondContact O-N 3.24Å; I739-K743 VanDerWaalsContact O-N 3.09Å
740H76Confident80.6Confident124 Ų12476.9 Ų76.957%0.57437%0.366SS*.Hα-helixtrans-63.6-44.4179.9-17575.1000112.3K736 K737 D738 W742 K743 E744K736-H740 PolarHBondContact O-N 3.49Å; K737-H740 PolarHBondContact O-N 3.01Å; D738-H740 VanDerWaalsContact C-N 3.33Å; D738-H740 PolarHBondContact O-N 3.39Å; H740-W742 PolarHBondContact O-N 3.38Å; H740-K743 PolarHBondContact O-N 2.97Å; H740-E744 PolarHBondContact O-N 3.39Å
741M80.5Confident80.4Confident100 Ų10075.4 Ų75.449%0.49336%0.357SS..Hα-helixtrans-64-41.7178.1-69.3-162.8-39.600112.6K737 D738 E744 E745K737-M741 PolarHBondContact O-N 3.41Å; D738-M741 PolarHBondContact O-N 3.36Å; M741-E744 PolarHBondContact O-N 2.82Å; M741-E745 PolarHBondContact O-N 3.45Å
742W86.1Confident80Confident61 Ų6175 Ų7523%0.23135%0.354CS..Hα-helixtrans-67.8-35.3179.9-64.9-20.2000112.4L430 D433 L434 A437 D738 I739 H740 E744 E745 L746L430-W742 HydrophobicContact CD2-CB 4.26Å; L430-W742 HydrophobicContact CD2-CG 4.16Å; D433-W742 VanDerWaalsContact C-CZ3 3.5Å; D433-W742 HydrophobicContact CB-CD2 4.37Å; D433-W742 HydrophobicContact CB-CE3 3.94Å; D433-W742 HydrophobicContact CB-CH2 3.98Å; D433-W742 HydrophobicContact CB-CZ2 4.4Å; D433-W742 HydrophobicContact CB-CZ3 3.72Å; D433-W742 WeakPolarHBondContact O-CZ3 3.43Å; L434-W742 HydrophobicContact CB-CE3 4.41Å; L434-W742 HydrophobicContact CD1-CB 4.26Å; A437-W742 HydrophobicContact CB-CE3 4.4Å; A437-W742 HydrophobicContact CB-CH2 4.41Å; A437-W742 HydrophobicContact CB-CZ3 3.61Å; D738-W742 HydrophobicContact CB-CZ2 4.43Å; D738-W742 PolarHBondContact O-N 2.76Å; I739-W742 PolarHBondContact O-N 2.79Å; H740-W742 PolarHBondContact O-N 3.38Å; W742-E744 VanDerWaalsContact C-N 3.33Å; W742-E744 PolarHBondContact O-N 3.35Å; W742-E745 PolarHBondContact O-N 3.06Å; W742-L746 WeakPolarHBondContact O-CB 3.14Å; W742-L746 PolarHBondContact O-N 2.86Å
743K80.4Confident80Confident100 Ų10074.9 Ų74.944%0.43535%0.354SS..Hα-helixtrans-60.1-42.6171-73.5-178.1-179.5173.60111.7L434 E438 I739 H740 R747L434-K743 HydrophobicContact CD1-CB 4.49Å; L434-K743 HydrophobicContact CD1-CD 4.25Å; L434-K743 HydrophobicContact CD1-CG 3.4Å; E438-K743 IonicContact OE1-NZ 3.09Å; E438-K743 PolarHBondContact OE1-NZ 3.2Å; I739-K743 HydrophobicContact CG2-CD 4.21Å; I739-K743 WeakPolarHBondContact O-CG 3.48Å; I739-K743 PolarHBondContact O-N 3.24Å; I739-K743 VanDerWaalsContact O-N 3.09Å; H740-K743 PolarHBondContact O-N 2.97Å; K743-R747 PolarHBondContact O-N 3.2Å
744E77.1Confident80.1Confident88 Ų8874.4 Ų74.441%0.41136%0.356SS..Hα-helixtrans-68.3-40.9179.1-170.7169.2-152.500112.8H740 M741 W742 R747 G748H740-E744 PolarHBondContact O-N 3.39Å; M741-E744 PolarHBondContact O-N 2.82Å; W742-E744 VanDerWaalsContact C-N 3.33Å; W742-E744 PolarHBondContact O-N 3.35Å; E744-R747 PolarHBondContact O-N 3.38Å; E744-R747 IonicContact OE1-NH2 2.65Å; E744-G748 PolarHBondContact O-N 3.08Å; E744-G748 VanDerWaalsContact O-N 3.16Å
745E82.2Confident79.8Confident69 Ų6975 Ų7532%0.32236%0.36SS..Hα-helixtrans-64.4-41.2176.2-166.5-176.8160.500111.7R426 L430 M741 W742 R747 G748 K749R426-E745 IonicContact CZ-OE1 3.79Å; R426-E745 IonicContact CZ-OE2 2.85Å; R426-E745 IonicContact NE-OE1 2.9Å; R426-E745 PolarHBondContact NE-OE1 3.02Å; R426-E745 IonicContact NH2-OE1 2.81Å; R426-E745 PolarHBondContact NH2-OE1 3.29Å; R426-E745 IonicContact NH2-OE2 3.37Å; R426-E745 PolarHBondContact NH2-OE2 3.34Å; L430-E745 HydrophobicContact CD1-CB 4.01Å; L430-E745 HydrophobicContact CD1-CG 3.74Å; M741-E745 PolarHBondContact O-N 3.45Å; W742-E745 PolarHBondContact O-N 3.06Å; E745-R747 VanDerWaalsContact C-N 3.33Å; E745-R747 PolarHBondContact O-N 2.78Å; E745-G748 PolarHBondContact O-N 3.32Å; E745-K749 WeakPolarHBondContact O-CG 3.26Å; E745-K749 PolarHBondContact O-N 2.81Å
746L83.9Confident79.7Confident28 Ų2875.7 Ų75.715%0.14736%0.362CS..Hα-helixtrans-60.7-42.2177.8-172.271000111.6R427 L430 Q431 W742 Q750R427-L746 HydrophobicContact CB-CD1 3.94Å; R427-L746 HydrophobicContact CG-CD1 4.08Å; L430-L746 HydrophobicContact CB-CD1 4.33Å; Q431-L746 HydrophobicContact CG-CD1 3.92Å; Q431-L746 HydrophobicContact CG-CD2 3.94Å; W742-L746 WeakPolarHBondContact O-CB 3.14Å; W742-L746 PolarHBondContact O-N 2.86Å; L746-Q750 WeakPolarHBondContact O-CG 3.37Å; L746-Q750 PolarHBondContact O-N 2.92Å
747R77.3Confident79.9Confident83 Ų8375.5 Ų75.531%0.31336%0.363SS..Hα-helixtrans-64.6-48.8178-175.9176.761.8-152.50.6112.2K743 E744 E745 K749 Q750 E751 E841K743-R747 PolarHBondContact O-N 3.2Å; E744-R747 PolarHBondContact O-N 3.38Å; E744-R747 IonicContact OE1-NH2 2.65Å; E745-R747 VanDerWaalsContact C-N 3.33Å; E745-R747 PolarHBondContact O-N 2.78Å; R747-K749 VanDerWaalsContact C-N 3.26Å; R747-K749 PolarHBondContact O-N 3.37Å; R747-Q750 WeakPolarHBondContact O-CB 3.48Å; R747-Q750 PolarHBondContact O-N 3.46Å; R747-E751 PolarHBondContact O-N 2.99Å; R747-E841 IonicContact CZ-OE2 3.07Å; R747-E841 IonicContact NH1-OE1 2.69Å; R747-E841 PolarHBondContact NH1-OE1 3.13Å; R747-E841 IonicContact NH1-OE2 3.19Å; R747-E841 PolarHBondContact NH1-OE2 3.27Å
748G78.5Confident79.8Confident31 Ų3176 Ų7632%0.3236%0.362SS..Hα-helixtrans-61.7-31.8-179.400000113.8E744 E745 T752E744-G748 PolarHBondContact O-N 3.08Å; E744-G748 VanDerWaalsContact O-N 3.16Å; E745-G748 PolarHBondContact O-N 3.32Å; G748-T752 PolarHBondContact O-OG1 3.44Å
749K79.1Confident79.7Confident63 Ų6380.4 Ų80.427%0.27438%0.38SS..Hα-helixtrans-73-30.7173.8-67.2-65-1741750113D423 R427 E745 R747 T752D423-K749 HydrophobicContact CB-CD 4.4Å; D423-K749 IonicContact OD1-NZ 2.92Å; D423-K749 PolarHBondContact OD1-NZ 3.04Å; R427-K749 HydrophobicContact CG-CB 3.84Å; E745-K749 WeakPolarHBondContact O-CG 3.26Å; E745-K749 PolarHBondContact O-N 2.81Å; R747-K749 VanDerWaalsContact C-N 3.26Å; R747-K749 PolarHBondContact O-N 3.37Å; K749-T752 PolarHBondContact O-OG1 2.99Å
750Q76.8Confident79.9Confident90 Ų9080.9 Ų80.942%0.42138%0.382SS..Hα-helixtrans-67.2-39174.7-77.5172.8-3.900112.3R427 L746 R747R427-Q750 VanDerWaalsContact NH1-CG 3.28Å; L746-Q750 WeakPolarHBondContact O-CG 3.37Å; L746-Q750 PolarHBondContact O-N 2.92Å; R747-Q750 WeakPolarHBondContact O-CB 3.48Å; R747-Q750 PolarHBondContact O-N 3.46Å
751E76.3Confident80.2Confident105 Ų10578.4 Ų78.449%0.49138%0.379SS..Hα-helixtrans-70-34.2-177.2-69.7172.4-174.700113.9R747 P754R747-E751 PolarHBondContact O-N 2.99Å; E751-P754 WeakPolarHBondContact O-CD 3.36Å
752T77.8Confident80.2Confident52 Ų5276.4 Ų76.432%0.31937%0.374SS..Hα-helixtrans-81.6-19.2-173.451.90000114.4G748 K749 K756G748-T752 PolarHBondContact O-OG1 3.44Å; K749-T752 PolarHBondContact O-OG1 2.99Å; T752-K756 PolarHBondContact O-N 3.27Å
753K82.1Confident80.2Confident55 Ų5574.9 Ų74.924%0.23937%0.371CS..Hα-helixtrans-58.3-53.7-177.5-175.5170.7-173.7159.90114.6D424 Q755 K756 E757D424-K753 IonicContact OD1-NZ 2.73Å; D424-K753 PolarHBondContact OD1-NZ 3.23Å; D424-K753 IonicContact OD2-NZ 3.33Å; D424-K753 PolarHBondContact OD2-NZ 3.06Å; K753-Q755 VanDerWaalsContact C-N 3.27Å; K753-Q755 PolarHBondContact O-N 3Å; K753-K756 PolarHBondContact O-N 3.39Å; K753-K756 VanDerWaalsContact O-N 3.15Å; K753-E757 WeakPolarHBondContact CE-OE1 3.22Å; K753-E757 PolarHBondContact O-N 3.38Å; K753-E757 VanDerWaalsContact O-N 3.15Å
754P77.4Confident80.6Confident77 Ų7776.3 Ų76.350%0.537%0.373SS..Hα-helixtrans-62.6-30.6-175.521.5-33.1000113.8E751 Y758E751-P754 WeakPolarHBondContact O-CD 3.36Å; P754-Y758 PolarHBondContact O-N 3.18Å; P754-Y758 VanDerWaalsContact O-N 3.14Å
755Q78.5Confident80.9Confident147 Ų14773.9 Ų73.969%0.68736%0.362SS*.Hα-helixtrans-68.6-39.7177.6-62.8179.7-100111.9K753 K759K753-Q755 VanDerWaalsContact C-N 3.27Å; K753-Q755 PolarHBondContact O-N 3Å; Q755-K759 PolarHBondContact O-N 3.05Å
756K81.2Confident80.9Confident47 Ų4773.5 Ų73.520%0.20436%0.362CS..Hα-helixtrans-67.2-42.4176.5-66.6-176.1-179.3-171.90111.5L416 E419 I420 D423 T752 K753 Y758 K759 L760L416-K756 HydrophobicContact CD1-CB 4.11Å; L416-K756 HydrophobicContact CD1-CD 4.44Å; L416-K756 HydrophobicContact CD1-CG 4.19Å; E419-K756 IonicContact OE2-NZ 3.37Å; I420-K756 HydrophobicContact CD1-CB 3.96Å; I420-K756 HydrophobicContact CG1-CB 3.88Å; I420-K756 HydrophobicContact CG1-CD 4.12Å; D423-K756 IonicContact OD2-NZ 2.74Å; D423-K756 PolarHBondContact OD2-NZ 2.94Å; T752-K756 PolarHBondContact O-N 3.27Å; K753-K756 PolarHBondContact O-N 3.39Å; K753-K756 VanDerWaalsContact O-N 3.15Å; K756-Y758 VanDerWaalsContact C-N 3.35Å; K756-Y758 PolarHBondContact O-N 3.45Å; K756-K759 PolarHBondContact O-N 3.24Å; K756-L760 WeakPolarHBondContact O-CB 3.42Å; K756-L760 PolarHBondContact O-N 3.45Å
757E82Confident81.2Confident94 Ų9472.8 Ų72.844%0.43936%0.358SS..Hα-helixtrans-61.5-40.9177.5-70.8177.1172.500112.3I420 K753 L760 S761I420-E757 HydrophobicContact CD1-CG 4.11Å; K753-E757 WeakPolarHBondContact CE-OE1 3.22Å; K753-E757 PolarHBondContact O-N 3.38Å; K753-E757 VanDerWaalsContact O-N 3.15Å; E757-L760 WeakPolarHBondContact O-CB 3.4Å; E757-L760 PolarHBondContact O-N 3Å; E757-S761 PolarHBondContact O-N 2.94Å; E757-S761 VanDerWaalsContact O-N 3.12Å
758Y76.8Confident81.5Confident128 Ų12873.4 Ų73.450%0.50237%0.368SS..Hα-helixtrans-62.8-47.4176.4177.9-105.1000112.6K355 P754 K756 L760 S761 S762K355-Y758 VanDerWaalsContact NZ-CD2 3.26Å; P754-Y758 PolarHBondContact O-N 3.18Å; P754-Y758 VanDerWaalsContact O-N 3.14Å; K756-Y758 VanDerWaalsContact C-N 3.35Å; K756-Y758 PolarHBondContact O-N 3.45Å; Y758-L760 PolarHBondContact O-N 3.38Å; Y758-S761 WeakPolarHBondContact O-CB 3.46Å; Y758-S761 PolarHBondContact O-N 3.47Å; Y758-S761 VanDerWaalsContact O-N 3.13Å; Y758-S762 PolarHBondContact O-N 2.7Å; Y758-S762 VanDerWaalsContact O-N 3.15Å
759K80.6Confident81.8Confident134 Ų13472.9 Ų72.958%0.58336%0.357SS*.Hα-helixtrans-60.8-36.9178-170.9174.1-174.41770111.7L416 Q755 K756 L763L416-K759 HydrophobicContact CD2-CB 4.06Å; L416-K759 HydrophobicContact CD2-CD 4.39Å; L416-K759 HydrophobicContact CD2-CG 4.14Å; Q755-K759 PolarHBondContact O-N 3.05Å; K756-K759 PolarHBondContact O-N 3.24Å; K759-L763 HydrophobicContact CG-CD1 4.35Å; K759-L763 VanDerWaalsContact O-CG 3.28Å; K759-L763 WeakPolarHBondContact O-CG 3.24Å; K759-L763 PolarHBondContact O-N 3.08Å; K759-L763 VanDerWaalsContact O-N 3.12Å
760L86.7Confident82.1Confident22 Ų2272.2 Ų72.212%0.11536%0.356CS..Hα-helixtrans-63.8-40.5175.8-172.3143.8000112.1L416 T417 I420 K756 E757 Y758 R764L416-L760 HydrophobicContact CD2-CB 3.81Å; L416-L760 HydrophobicContact CG-CB 4.49Å; L416-L760 HydrophobicContact CG-CD1 4.43Å; T417-L760 WeakPolarHBondContact OG1-CD1 3.37Å; I420-L760 HydrophobicContact CD1-CD1 4.26Å; K756-L760 WeakPolarHBondContact O-CB 3.42Å; K756-L760 PolarHBondContact O-N 3.45Å; E757-L760 WeakPolarHBondContact O-CB 3.4Å; E757-L760 PolarHBondContact O-N 3Å; Y758-L760 PolarHBondContact O-N 3.38Å; L760-R764 WeakPolarHBondContact O-CG 3.11Å; L760-R764 PolarHBondContact O-N 3.06Å
761S82.3Confident82.6Confident73 Ų7372 Ų7251%0.5135%0.353SS..Hα-helixtrans-64.6-45.7176.8-166.70000112.7E757 Y758 R764 H765E757-S761 PolarHBondContact O-N 2.94Å; E757-S761 VanDerWaalsContact O-N 3.12Å; Y758-S761 WeakPolarHBondContact O-CB 3.46Å; Y758-S761 PolarHBondContact O-N 3.47Å; Y758-S761 VanDerWaalsContact O-N 3.13Å; S761-R764 PolarHBondContact O-N 3.33Å; S761-H765 PolarHBondContact O-N 2.88Å
762S82.3Confident83Confident57 Ų5772 Ų7240%0.39935%0.35SS..Hα-helixtrans-63-42.9178.3165.60000112.4Y758 R764 H765 D766Y758-S762 PolarHBondContact O-N 2.7Å; Y758-S762 VanDerWaalsContact O-N 3.15Å; S762-R764 VanDerWaalsContact C-N 3.26Å; S762-R764 PolarHBondContact O-N 3.38Å; S762-H765 PolarHBondContact O-N 3.31Å; S762-D766 PolarHBondContact O-N 3.18Å; S762-D766 VanDerWaalsContact O-N 3.16Å
763L85.7Confident83.2Confident30 Ų3070.5 Ų70.516%0.15734%0.34CS..Hα-helixtrans-62.2-33.3177.4-71.8171.6000112.8K409 I413 L416 K759 L767K409-L763 HydrophobicContact CD-CD2 4.49Å; K409-L763 VanDerWaalsContact CE-CD2 3.46Å; K409-L763 HydrophobicContact CG-CD2 4.48Å; I413-L763 HydrophobicContact CD1-CB 4.17Å; I413-L763 HydrophobicContact CG1-CB 3.79Å; I413-L763 HydrophobicContact CG1-CD1 4.43Å; L416-L763 HydrophobicContact CD2-CD1 4.39Å; K759-L763 HydrophobicContact CG-CD1 4.35Å; K759-L763 VanDerWaalsContact O-CG 3.28Å; K759-L763 WeakPolarHBondContact O-CG 3.24Å; K759-L763 PolarHBondContact O-N 3.08Å; K759-L763 VanDerWaalsContact O-N 3.12Å; L763-L767 WeakPolarHBondContact O-CB 3.49Å; L763-L767 PolarHBondContact O-N 3.15Å
764R88.7Confident83.4Confident130 Ų13070 Ų7049%0.49134%0.34SS..Hα-helixtrans-67.8-45.4176-76177.9176.2-171.20.6111.9I413 L760 S761 S762 D766 L767 D768I413-R764 HydrophobicContact CD1-CG 3.95Å; L760-R764 WeakPolarHBondContact O-CG 3.11Å; L760-R764 PolarHBondContact O-N 3.06Å; S761-R764 PolarHBondContact O-N 3.33Å; S762-R764 VanDerWaalsContact C-N 3.26Å; S762-R764 PolarHBondContact O-N 3.38Å; R764-D766 PolarHBondContact O-N 3.33Å; R764-L767 WeakPolarHBondContact O-CB 3.32Å; R764-L767 PolarHBondContact O-N 3.49Å; R764-D768 PolarHBondContact O-N 3.41Å
765H83Confident83.8Confident36 Ų3671 Ų7117%0.16734%0.337CS..Hα-helixtrans-61.3-45177.8-176.967000112.2N363 S761 S762 L767 D768 Q769N363-H765 VanDerWaalsContact CG-CE1 3.4Å; N363-H765 PolarHBondContact OD1-CD2 2.83Å; N363-H765 VanDerWaalsContact OD1-CD2 3.3Å; N363-H765 PolarHBondContact OD1-CE1 2.92Å; N363-H765 VanDerWaalsContact OD1-CE1 3.32Å; N363-H765 PolarHBondContact OD1-ND1 3.25Å; N363-H765 PolarHBondContact OD1-NE2 2.81Å; S761-H765 PolarHBondContact O-N 2.88Å; S762-H765 PolarHBondContact O-N 3.31Å; H765-L767 VanDerWaalsContact C-N 3.25Å; H765-L767 PolarHBondContact O-N 2.6Å; H765-D768 PolarHBondContact O-N 2.9Å; H765-D768 VanDerWaalsContact O-N 3.12Å; H765-Q769 PolarHBondContact CE1-NE2 3.09Å; H765-Q769 PolarHBondContact NE2-NE2 2.83Å; H765-Q769 PolarHBondContact O-N 2.84Å
766D83Confident84Confident61 Ų6165 Ų6533%0.32631%0.312SS..Hα-helixtrans-61.1-35.6176.3-70.8-14.1000112.8K409 S762 R764 D768 Q769 M770K409-D766 HydrophobicContact CD-CB 4.35Å; K409-D766 VanDerWaalsContact CE-CB 3.45Å; K409-D766 VanDerWaalsContact NZ-CG 3.32Å; K409-D766 IonicContact NZ-OD2 3.62Å; K409-D766 PolarHBondContact NZ-OD2 3.44Å; S762-D766 PolarHBondContact O-N 3.18Å; S762-D766 VanDerWaalsContact O-N 3.16Å; R764-D766 PolarHBondContact O-N 3.33Å; D766-D768 VanDerWaalsContact C-N 3.35Å; D766-Q769 PolarHBondContact O-N 3.44Å; D766-M770 WeakPolarHBondContact O-CG 3.23Å; D766-M770 PolarHBondContact O-N 3.29Å; D766-M770 VanDerWaalsContact O-N 3.1Å
767L88.6Confident84.2Confident13 Ų1364.6 Ų64.67%0.06831%0.309CS..Hα-helixtrans-67.4-38.2176.8170.7152.6000111.2K409 E410 I413 L763 R764 H765 M770 K771K409-L767 HydrophobicContact CG-CB 4.37Å; E410-L767 HydrophobicContact CB-CD1 4.41Å; E410-L767 HydrophobicContact CG-CD1 3.34Å; I413-L767 HydrophobicContact CD1-CB 4.49Å; I413-L767 HydrophobicContact CD1-CD1 3.82Å; L763-L767 WeakPolarHBondContact O-CB 3.49Å; L763-L767 PolarHBondContact O-N 3.15Å; R764-L767 WeakPolarHBondContact O-CB 3.32Å; R764-L767 PolarHBondContact O-N 3.49Å; H765-L767 VanDerWaalsContact C-N 3.25Å; H765-L767 PolarHBondContact O-N 2.6Å; L767-M770 PolarHBondContact O-N 3.45Å; L767-K771 HydrophobicContact CD2-CD 3.79Å; L767-K771 WeakPolarHBondContact O-CG 3.5Å; L767-K771 PolarHBondContact O-N 2.76Å
768D85Confident84.3Confident97 Ų9764.3 Ų64.352%0.51931%0.307SS..Hα-helixtrans-66.1-41175.6-68.8-25.3000111.4R764 H765 D766 M770 K771 Y772R764-D768 PolarHBondContact O-N 3.41Å; H765-D768 PolarHBondContact O-N 2.9Å; H765-D768 VanDerWaalsContact O-N 3.12Å; D766-D768 VanDerWaalsContact C-N 3.35Å; D768-M770 PolarHBondContact O-N 2.96Å; D768-K771 PolarHBondContact O-N 3.17Å; D768-Y772 PolarHBondContact O-N 3.44Å
769Q83.7Confident84.6Confident20 Ų2063.3 Ų63.39%0.09331%0.313CS..Hα-helixtrans-57.3-49.1172.3-68.4-68.5-14.700111.8S366 D367 H765 D766 K771 Y772 T773S366-Q769 PolarHBondContact OG-NE2 2.85Å; D367-Q769 PolarHBondContact OD1-NE2 3.41Å; H765-Q769 PolarHBondContact CE1-NE2 3.09Å; H765-Q769 PolarHBondContact NE2-NE2 2.83Å; H765-Q769 PolarHBondContact O-N 2.84Å; D766-Q769 PolarHBondContact O-N 3.44Å; Q769-K771 VanDerWaalsContact C-N 3.29Å; Q769-K771 PolarHBondContact O-N 3.34Å; Q769-Y772 WeakPolarHBondContact O-CB 3.3Å; Q769-Y772 PolarHBondContact O-N 3.23Å; Q769-Y772 VanDerWaalsContact O-N 3.13Å; Q769-T773 PolarHBondContact O-N 3.22Å; Q769-T773 PolarHBondContact O-OG1 2.99Å
770M85.3Confident84.6Confident49 Ų4957.2 Ų57.224%0.24129%0.287CS..Hα-helixtrans-61.2-38.5178.4-70.6178.5177.700112.1L402 A405 I406 K409 D766 L767 D768 M774L402-M770 HydrophobicContact CD1-CB 4.29Å; L402-M770 HydrophobicContact CD1-CG 4.3Å; L402-M770 WeakPolarHBondContact CD2-O 3.41Å; A405-M770 HydrophobicContact CB-CE 4.47Å; A405-M770 HydrophobicContact CB-SD 4.18Å; I406-M770 HydrophobicContact CD1-CB 4.21Å; I406-M770 HydrophobicContact CG1-CB 3.71Å; I406-M770 HydrophobicContact CG1-SD 4.47Å; K409-M770 HydrophobicContact CD-CE 4.31Å; K409-M770 HydrophobicContact CD-SD 4.33Å; D766-M770 WeakPolarHBondContact O-CG 3.23Å; D766-M770 PolarHBondContact O-N 3.29Å; D766-M770 VanDerWaalsContact O-N 3.1Å; L767-M770 PolarHBondContact O-N 3.45Å; D768-M770 PolarHBondContact O-N 2.96Å; M770-M774 WeakPolarHBondContact O-CB 3.44Å; M770-M774 PolarHBondContact O-N 3.35Å; M770-M774 VanDerWaalsContact O-N 3.08Å
771K88.1Confident84.4Confident84 Ų8459.7 Ų59.737%0.36530%0.3SS..Hα-helixtrans-65.3-40.2175.2-75.4179.2-179.3-177.80111.3I406 E410 L767 D768 Q769 M774 E775I406-K771 HydrophobicContact CD1-CG 4.04Å; E410-K771 WeakPolarHBondContact OE1-CE 3.47Å; E410-K771 IonicContact OE1-NZ 3.36Å; E410-K771 PolarHBondContact OE1-NZ 3.45Å; L767-K771 HydrophobicContact CD2-CD 3.79Å; L767-K771 WeakPolarHBondContact O-CG 3.5Å; L767-K771 PolarHBondContact O-N 2.76Å; D768-K771 PolarHBondContact O-N 3.17Å; Q769-K771 VanDerWaalsContact C-N 3.29Å; Q769-K771 PolarHBondContact O-N 3.34Å; K771-M774 WeakPolarHBondContact O-CB 3.3Å; K771-M774 PolarHBondContact O-N 3.17Å; K771-E775 PolarHBondContact O-N 3.01Å; K771-E775 VanDerWaalsContact O-N 3.08Å
772Y83.6Confident84.1Confident106 Ų10657.6 Ų57.642%0.41629%0.29SS..Hα-helixtrans-62.6-48.4175.8-173.6-91.7000112.2H370 R371 E374 D768 Q769 M774 E775 S776H370-Y772 AromaticContact ND1-CD1 3.91Å; R371-Y772 WeakPolarHBondContact CD-OH 3.48Å; E374-Y772 WeakPolarHBondContact OE2-CE1 3.37Å; D768-Y772 PolarHBondContact O-N 3.44Å; Q769-Y772 WeakPolarHBondContact O-CB 3.3Å; Q769-Y772 PolarHBondContact O-N 3.23Å; Q769-Y772 VanDerWaalsContact O-N 3.13Å; Y772-M774 PolarHBondContact O-N 3.29Å; Y772-E775 PolarHBondContact O-N 3.4Å; Y772-E775 VanDerWaalsContact O-N 3.07Å; Y772-S776 PolarHBondContact O-N 3.45Å
773T83.6Confident84Confident21 Ų2157.2 Ų57.213%0.12929%0.285CS..Hα-helixtrans-58.1-39.3175.7-33.30000111.2H370 L402 Q769 E775 S776 Y777H370-T773 PolarHBondContact CE1-OG1 3.41Å; H370-T773 PolarHBondContact NE2-OG1 3.48Å; L402-T773 HydrophobicContact CD2-CG2 4.42Å; Q769-T773 PolarHBondContact O-N 3.22Å; Q769-T773 PolarHBondContact O-OG1 2.99Å; T773-E775 VanDerWaalsContact C-N 3.31Å; T773-E775 PolarHBondContact O-N 3.31Å; T773-S776 PolarHBondContact O-N 3.07Å; T773-S776 PolarHBondContact O-OG 3.49Å; T773-Y777 HydrophobicContact CG2-CD2 4.31Å; T773-Y777 HydrophobicContact CG2-CE2 3.85Å; T773-Y777 WeakPolarHBondContact O-CD2 3.33Å; T773-Y777 PolarHBondContact O-N 3.01Å; T773-Y777 VanDerWaalsContact O-N 3.16Å
774M85.6Confident83.5Confident45 Ų4561.1 Ų61.122%0.22231%0.306CS..Hα-helixtrans-62.9-38.6178.2-162.8162.790.400112L402 I406 M770 K771 Y772 K778L402-M774 HydrophobicContact CD2-CB 3.6Å; L402-M774 HydrophobicContact CD2-CG 4.17Å; I406-M774 HydrophobicContact CD1-CB 4.46Å; I406-M774 HydrophobicContact CD1-CE 4.35Å; I406-M774 HydrophobicContact CD1-SD 3.8Å; M770-M774 WeakPolarHBondContact O-CB 3.44Å; M770-M774 PolarHBondContact O-N 3.35Å; M770-M774 VanDerWaalsContact O-N 3.08Å; K771-M774 WeakPolarHBondContact O-CB 3.3Å; K771-M774 PolarHBondContact O-N 3.17Å; Y772-M774 PolarHBondContact O-N 3.29Å; M774-K778 WeakPolarHBondContact O-CG 3.21Å; M774-K778 PolarHBondContact O-N 3.4Å
775E85.1Confident82.8Confident96 Ų9657.5 Ų57.545%0.44930%0.297SS..Hα-helixtrans-70.8-37.4176.6-15958.9-150.300111.7K771 Y772 T773 Y777 K778 V779K771-E775 PolarHBondContact O-N 3.01Å; K771-E775 VanDerWaalsContact O-N 3.08Å; Y772-E775 PolarHBondContact O-N 3.4Å; Y772-E775 VanDerWaalsContact O-N 3.07Å; T773-E775 VanDerWaalsContact C-N 3.31Å; T773-E775 PolarHBondContact O-N 3.31Å; E775-Y777 VanDerWaalsContact C-N 3.32Å; E775-Y777 PolarHBondContact O-N 2.87Å; E775-K778 WeakPolarHBondContact O-CB 3.37Å; E775-K778 PolarHBondContact O-N 3.48Å; E775-K778 WeakPolarHBondContact OE2-CD 3.37Å; E775-K778 IonicContact OE2-NZ 3.31Å; E775-K778 PolarHBondContact OE2-NZ 2.79Å; E775-V779 WeakPolarHBondContact O-CG2 3.42Å; E775-V779 PolarHBondContact O-N 2.59Å
776S83Confident82.1Confident22 Ų2261.3 Ų61.315%0.15432%0.318CS..Hα-helixtrans-58.4-4317587.90000112.3E374 Y772 T773 V779 E780E374-S776 WeakPolarHBondContact OE1-CB 3.02Å; E374-S776 PolarHBondContact OE1-OG 3.12Å; Y772-S776 PolarHBondContact O-N 3.45Å; T773-S776 PolarHBondContact O-N 3.07Å; T773-S776 PolarHBondContact O-OG 3.49Å; S776-V779 PolarHBondContact O-N 2.79Å; S776-E780 WeakPolarHBondContact O-CB 3.46Å; S776-E780 PolarHBondContact O-N 2.82Å; S776-E780 VanDerWaalsContact O-N 3.14Å
777Y84.9Confident81.3Confident38 Ų3862.8 Ų62.815%0.14933%0.332CS..Hα-helixtrans-66.2-36.6177.5-78.5-42000112.5W394 I395 Q398 M399 L402 T773 E775 E780 L781W394-Y777 HydrophobicContact CH2-CE1 4.14Å; W394-Y777 AromaticContact CZ3-CE1 3.9Å; W394-Y777 HydrophobicContact CZ3-CE1 3.9Å; I395-Y777 HydrophobicContact CG1-CD1 4.42Å; I395-Y777 HydrophobicContact CG2-CD1 4.13Å; I395-Y777 HydrophobicContact CG2-CG 4.21Å; I395-Y777 WeakPolarHBondContact CG2-O 3.48Å; Q398-Y777 HydrophobicContact CB-CD2 4.4Å; Q398-Y777 HydrophobicContact CB-CE2 3.93Å; M399-Y777 HydrophobicContact CG-CD2 4.42Å; M399-Y777 HydrophobicContact CG-CG 4.41Å; L402-Y777 HydrophobicContact CD2-CD2 4.47Å; T773-Y777 HydrophobicContact CG2-CD2 4.31Å; T773-Y777 HydrophobicContact CG2-CE2 3.85Å; T773-Y777 WeakPolarHBondContact O-CD2 3.33Å; T773-Y777 PolarHBondContact O-N 3.01Å; T773-Y777 VanDerWaalsContact O-N 3.16Å; E775-Y777 VanDerWaalsContact C-N 3.32Å; E775-Y777 PolarHBondContact O-N 2.87Å; Y777-E780 PolarHBondContact O-N 3.27Å; Y777-L781 PolarHBondContact O-N 2.82Å; Y777-L781 VanDerWaalsContact O-N 3.16Å
778K85.3Confident80.4Confident89 Ų8969.3 Ų69.339%0.38736%0.363SS..Hα-helixtrans-64.7-43.9174.4-72.1179.1-161.9160.10112.4M399 M774 E775 E780 L781M399-K778 HydrophobicContact CE-CD 4.43Å; M399-K778 HydrophobicContact CE-CG 3.48Å; M399-K778 VanDerWaalsContact CE-CG 3.48Å; M399-K778 HydrophobicContact SD-CG 4.29Å; M774-K778 WeakPolarHBondContact O-CG 3.21Å; M774-K778 PolarHBondContact O-N 3.4Å; E775-K778 WeakPolarHBondContact O-CB 3.37Å; E775-K778 PolarHBondContact O-N 3.48Å; E775-K778 WeakPolarHBondContact OE2-CD 3.37Å; E775-K778 IonicContact OE2-NZ 3.31Å; E775-K778 PolarHBondContact OE2-NZ 2.79Å; K778-E780 PolarHBondContact O-N 3.44Å; K778-L781 WeakPolarHBondContact O-CB 3.3Å; K778-L781 PolarHBondContact O-N 3.34Å
779V83.6Confident79.8Confident106 Ų10665.5 Ų65.564%0.64234%0.342SS*.Hα-helixtrans-64.4-32.8179.9171.90000111.2E775 S776E775-V779 WeakPolarHBondContact O-CG2 3.42Å; E775-V779 PolarHBondContact O-N 2.59Å; S776-V779 PolarHBondContact O-N 2.79Å
780E80.1Confident79.5Confident7 Ų766.7 Ų66.73%0.03335%0.353CS..Hα-helixtrans-78.7-29.9-178.9-164.5-147.6164.800114R381 R391 I395 S776 Y777 K778 G782 T783R381-E780 WeakPolarHBondContact CD-OE1 3.37Å; R381-E780 IonicContact CZ-OE1 3.07Å; R381-E780 IonicContact CZ-OE2 2.82Å; R381-E780 IonicContact NE-OE1 2.68Å; R381-E780 PolarHBondContact NE-OE1 3.44Å; R381-E780 IonicContact NE-OE2 3.72Å; R381-E780 PolarHBondContact NE-OE2 3.28Å; R381-E780 VanDerWaalsContact NH1-CG 3.32Å; R381-E780 IonicContact NH1-OE1 2.71Å; R381-E780 PolarHBondContact NH1-OE1 2.86Å; R381-E780 IonicContact NH1-OE2 3.01Å; R381-E780 PolarHBondContact NH1-OE2 3.43Å; R381-E780 IonicContact NH2-OE1 2.61Å; R381-E780 IonicContact NH2-OE2 3.73Å; R381-E780 PolarHBondContact NH2-OE2 3.44Å; R391-E780 WeakPolarHBondContact CD-OE1 3.42Å; R391-E780 IonicContact NE-OE1 3.97Å; I395-E780 HydrophobicContact CD1-CB 4.4Å; I395-E780 HydrophobicContact CD1-CG 4.21Å; I395-E780 WeakPolarHBondContact CD1-OE1 3.1Å; I395-E780 WeakPolarHBondContact CD1-OE2 3.02Å; S776-E780 WeakPolarHBondContact O-CB 3.46Å; S776-E780 PolarHBondContact O-N 2.82Å; S776-E780 VanDerWaalsContact O-N 3.14Å; Y777-E780 PolarHBondContact O-N 3.27Å; K778-E780 PolarHBondContact O-N 3.44Å; E780-G782 PolarHBondContact O-N 2.85Å; E780-G782 VanDerWaalsContact O-N 3.13Å; E780-T783 WeakPolarHBondContact O-CB 3.5Å; E780-T783 WeakPolarHBondContact O-CG2 3.39Å; E780-T783 PolarHBondContact O-N 3.49Å; E780-T783 PolarHBondContact O-OG1 3.38Å
781L81.9Confident79.3Confident73 Ų7369.4 Ų69.438%0.38237%0.372SS..THydrogen-bonded Turntrans-51.9119-179.5-160.690.4000110.4D392 I395 K396 Y777 K778D392-L781 HydrophobicContact CB-CD1 4.47Å; I395-L781 HydrophobicContact CB-CD1 4.15Å; I395-L781 HydrophobicContact CG2-CD1 3.76Å; K396-L781 HydrophobicContact CG-CD1 4.16Å; Y777-L781 PolarHBondContact O-N 2.82Å; Y777-L781 VanDerWaalsContact O-N 3.16Å; K778-L781 WeakPolarHBondContact O-CB 3.3Å; K778-L781 PolarHBondContact O-N 3.34Å
782G76.6Confident79.1Confident29 Ų2973 Ų7330%0.29939%0.39SS..THydrogen-bonded Turntrans82.89.1179.100000116.8R388 D392 E780R388-G782 PolarHBondContact NH1-O 3.31Å; R388-G782 VanDerWaalsContact NH2-CA 3.33Å; R388-G782 PolarHBondContact NH2-O 3.45Å; D392-G782 PolarHBondContact OD1-N 2.9Å; E780-G782 PolarHBondContact O-N 2.85Å; E780-G782 VanDerWaalsContact O-N 3.13Å
783T80.8Confident79Confident50 Ų5069.2 Ų69.231%0.30738%0.376SS..  trans-79161.9167.658.20000111.6R391 E780R391-T783 PolarHBondContact NH1-O 2.9Å; R391-T783 PolarHBondContact NH1-OG1 2.91Å; R391-T783 PolarHBondContact NH2-O 3.11Å; E780-T783 WeakPolarHBondContact O-CB 3.5Å; E780-T783 WeakPolarHBondContact O-CG2 3.39Å; E780-T783 PolarHBondContact O-N 3.49Å; E780-T783 PolarHBondContact O-OG1 3.38Å
784D74.4Confident79Confident111 Ų11171.8 Ų71.859%0.59439%0.387SS*.  trans-78.1153.2177.2-67.4-30.4000112.6R388 L786R388-D784 IonicContact NH1-OD1 2.73Å; R388-D784 PolarHBondContact NH1-OD1 3.41Å; D784-L786 PolarHBondContact O-N 2.78Å; D784-L786 VanDerWaalsContact O-N 3.1Å
785L74.3Confident79.1Confident55 Ų5577.3 Ų77.329%0.28841%0.405SS..  trans-74.995.4173.8-105.286.5000109.3V382 F385 R388 R391V382-L785 HydrophobicContact CG2-CB 4.3Å; V382-L785 HydrophobicContact CG2-CD2 4.19Å; V382-L785 HydrophobicContact CG2-CG 4.32Å; F385-L785 HydrophobicContact CB-CD2 4.42Å; F385-L785 WeakPolarHBondContact O-CD2 3.29Å; R388-L785 HydrophobicContact CB-CD1 4.2Å; R391-L785 HydrophobicContact CB-CD1 4.21Å
786L67.1Low79.2Confident116 Ų11675.7 Ų75.761%0.60740%0.397SS*.  trans-90.4131.4175.2-67.7167.9000110.6V382 D784 Q788V382-L786 WeakPolarHBondContact CG2-O 3.39Å; D784-L786 PolarHBondContact O-N 2.78Å; D784-L786 VanDerWaalsContact O-N 3.1Å; L786-Q788 PolarHBondContact O-N 3.13Å
787S66.4Low79.4Confident91 Ų9174.7 Ų74.764%0.63639%0.391SS*.SBendtrans-72.6-12.9177.857.90000114
788Q70.8Confident79.6Confident150 Ų15076.8 Ų76.870%0.70140%0.404SS*.SBendtrans-134.6147.8179-65.2-178.7-6.700109.4L786L786-Q788 PolarHBondContact O-N 3.13Å
789L72Confident79.8Confident18 Ų1881.3 Ų81.39%0.09442%0.419CS..  trans-60.2146.6167.2-73.4159.8000109Q379 E793 V797Q379-L789 HydrophobicContact CB-CD1 4.13Å; Q379-L789 HydrophobicContact CB-CD2 4.41Å; Q379-L789 HydrophobicContact CB-CG 4.04Å; Q379-L789 HydrophobicContact CG-CD1 4.31Å; Q379-L789 HydrophobicContact CG-CG 4.24Å; L789-E793 HydrophobicContact CB-CB 4Å; L789-E793 HydrophobicContact CD2-CB 3.81Å; L789-E793 HydrophobicContact CD2-CG 4.39Å; L789-E793 HydrophobicContact CG-CB 4.44Å; L789-V797 HydrophobicContact CD1-CG2 4.31Å
790S77.7Confident80.1Confident45 Ų4577.2 Ų77.232%0.31539%0.393SS..  trans-60.3154.9170.864.60000110.3Q792 E793 Q794S790-Q792 PolarHBondContact O-N 2.86Å; S790-E793 WeakPolarHBondContact CB-OE2 3.41Å; S790-E793 PolarHBondContact N-OE2 2.81Å; S790-E793 PolarHBondContact O-N 3.44Å; S790-E793 WeakPolarHBondContact OG-CB 3.49Å; S790-E793 VanDerWaalsContact OG-CD 3.29Å; S790-E793 VanDerWaalsContact OG-CG 3.22Å; S790-E793 WeakPolarHBondContact OG-CG 3.04Å; S790-E793 PolarHBondContact OG-N 3.38Å; S790-E793 PolarHBondContact OG-OE2 3.49Å; S790-Q794 PolarHBondContact O-N 2.79Å
791V81Confident80.5Confident106 Ų10679.2 Ų79.264%0.64240%0.404SS*.Hα-helixtrans-55.1-29.3176.2178.90000111.6R795V791-R795 VanDerWaalsContact O-CG 3.31Å; V791-R795 WeakPolarHBondContact O-CG 3.49Å; V791-R795 PolarHBondContact O-N 2.76Å
792Q83.3Confident80.9Confident160 Ų16080.6 Ų80.675%0.74841%0.412SS*.Hα-helixtrans-70.9-47.5175.3-66.9-178.7-600111.9S790 R795 E796S790-Q792 PolarHBondContact O-N 2.86Å; Q792-R795 PolarHBondContact O-N 2.82Å; Q792-E796 PolarHBondContact O-N 3.07Å
793E82.7Confident81.6Confident26 Ų2684.5 Ų84.512%0.12142%0.421CS..Hα-helixtrans-66.3-37178.2-71.6163.7144.400112.1L375 K378 L789 S790 R795 E796 V797L375-E793 HydrophobicContact CD2-CB 4.31Å; L375-E793 HydrophobicContact CD2-CG 4.05Å; K378-E793 WeakPolarHBondContact CE-OE1 3.49Å; K378-E793 IonicContact NZ-OE1 3.08Å; K378-E793 PolarHBondContact NZ-OE1 3.4Å; L789-E793 HydrophobicContact CB-CB 4Å; L789-E793 HydrophobicContact CD2-CB 3.81Å; L789-E793 HydrophobicContact CD2-CG 4.39Å; L789-E793 HydrophobicContact CG-CB 4.44Å; S790-E793 WeakPolarHBondContact CB-OE2 3.41Å; S790-E793 PolarHBondContact N-OE2 2.81Å; S790-E793 PolarHBondContact O-N 3.44Å; S790-E793 WeakPolarHBondContact OG-CB 3.49Å; S790-E793 VanDerWaalsContact OG-CD 3.29Å; S790-E793 VanDerWaalsContact OG-CG 3.22Å; S790-E793 WeakPolarHBondContact OG-CG 3.04Å; S790-E793 PolarHBondContact OG-N 3.38Å; S790-E793 PolarHBondContact OG-OE2 3.49Å; E793-R795 PolarHBondContact O-N 2.92Å; E793-E796 WeakPolarHBondContact O-CA 3.46Å; E793-E796 VanDerWaalsContact O-CB 3.32Å; E793-E796 WeakPolarHBondContact O-CB 3.44Å; E793-E796 PolarHBondContact O-N 2.95Å; E793-E796 VanDerWaalsContact O-N 3.12Å; E793-V797 WeakPolarHBondContact O-CG2 3.28Å; E793-V797 PolarHBondContact O-N 2.9Å
794Q82.6Confident82Confident75 Ų7582.6 Ų82.635%0.3541%0.408SS..Hα-helixtrans-64.2-42.3176.2-169.762.140.600111.4S790 E796 V797 D798S790-Q794 PolarHBondContact O-N 2.79Å; Q794-E796 VanDerWaalsContact C-N 3.26Å; Q794-E796 PolarHBondContact O-N 3.37Å; Q794-V797 PolarHBondContact O-N 2.79Å; Q794-D798 PolarHBondContact O-N 3.28Å
795R88Confident82.7Confident160 Ų16084.1 Ų84.160%0.60441%0.412SS*.Hα-helixtrans-63.9-32.3172.2-73.4175.2178.7-179.80.7112.4V791 Q792 E793 R799V791-R795 VanDerWaalsContact O-CG 3.31Å; V791-R795 WeakPolarHBondContact O-CG 3.49Å; V791-R795 PolarHBondContact O-N 2.76Å; Q792-R795 PolarHBondContact O-N 2.82Å; E793-R795 PolarHBondContact O-N 2.92Å; R795-R799 WeakPolarHBondContact O-CB 3.24Å; R795-R799 VanDerWaalsContact O-CG 3.24Å; R795-R799 WeakPolarHBondContact O-CG 3.29Å; R795-R799 PolarHBondContact O-N 2.89Å; R795-R799 VanDerWaalsContact O-N 3.09Å
796E87.5Confident83.5Confident62 Ų6287.6 Ų87.629%0.2943%0.427SS..Hα-helixtrans-65.9-44.9173.6-166.3-176.5164.400110.5R371 L375 Q792 E793 Q794 D798 R799 L800R371-E796 IonicContact CZ-OE1 2.74Å; R371-E796 IonicContact NE-OE1 3.01Å; R371-E796 PolarHBondContact NE-OE1 2.69Å; R371-E796 IonicContact NH2-OE1 3.92Å; R371-E796 PolarHBondContact NH2-OE1 2.85Å; R371-E796 IonicContact NH2-OE2 3.1Å; L375-E796 HydrophobicContact CD1-CB 4.21Å; L375-E796 HydrophobicContact CD1-CG 4.04Å; Q792-E796 PolarHBondContact O-N 3.07Å; E793-E796 WeakPolarHBondContact O-CA 3.46Å; E793-E796 VanDerWaalsContact O-CB 3.32Å; E793-E796 WeakPolarHBondContact O-CB 3.44Å; E793-E796 PolarHBondContact O-N 2.95Å; E793-E796 VanDerWaalsContact O-N 3.12Å; Q794-E796 VanDerWaalsContact C-N 3.26Å; Q794-E796 PolarHBondContact O-N 3.37Å; E796-D798 PolarHBondContact O-N 3.13Å; E796-R799 PolarHBondContact O-N 3.32Å; E796-L800 HydrophobicContact CG-CD1 4.02Å; E796-L800 HydrophobicContact CG-CG 4.47Å; E796-L800 WeakPolarHBondContact O-CB 3.43Å; E796-L800 WeakPolarHBondContact O-CG 3.29Å; E796-L800 PolarHBondContact O-N 2.95Å
797V86.8Confident84.6Confident2 Ų282.8 Ų82.81%0.01240%0.402CS..Hα-helixtrans-60.1-44.6175.7172.90000111.8L375 F376 L789 E793 Q794 L800 N801L375-V797 HydrophobicContact CB-CG2 3.91Å; L375-V797 HydrophobicContact CD1-CG2 3.72Å; L375-V797 HydrophobicContact CG-CG2 4.46Å; F376-V797 HydrophobicContact CE1-CG1 4.49Å; F376-V797 HydrophobicContact CE2-CG1 4.26Å; F376-V797 HydrophobicContact CZ-CG1 3.86Å; L789-V797 HydrophobicContact CD1-CG2 4.31Å; E793-V797 WeakPolarHBondContact O-CG2 3.28Å; E793-V797 PolarHBondContact O-N 2.9Å; Q794-V797 PolarHBondContact O-N 2.79Å; V797-L800 PolarHBondContact O-N 2.96Å; V797-N801 PolarHBondContact O-N 3.27Å; V797-N801 PolarHBondContact O-ND2 3.31Å
798D88.1Confident85.7Confident81 Ų8180.6 Ų80.643%0.43339%0.385SS..Hα-helixtrans-63.2-46.7178.7-64.2-23.4000111Q794 E796 L800 N801 D802Q794-D798 PolarHBondContact O-N 3.28Å; E796-D798 PolarHBondContact O-N 3.13Å; D798-L800 VanDerWaalsContact C-N 3.31Å; D798-L800 PolarHBondContact O-N 3.47Å; D798-N801 PolarHBondContact O-N 2.9Å; D798-N801 VanDerWaalsContact O-N 3.17Å; D798-D802 PolarHBondContact O-N 3.05Å; D798-D802 VanDerWaalsContact O-N 3.1Å
799R90.7Very high86.6Confident185 Ų18582.1 Ų82.170%0.69838%0.384SS*.Hα-helixtrans-60.2-39.1174.2-73.9173.7179.9-174.5-0.8112.7R795 E796 K803R795-R799 WeakPolarHBondContact O-CB 3.24Å; R795-R799 VanDerWaalsContact O-CG 3.24Å; R795-R799 WeakPolarHBondContact O-CG 3.29Å; R795-R799 PolarHBondContact O-N 2.89Å; R795-R799 VanDerWaalsContact O-N 3.09Å; E796-R799 PolarHBondContact O-N 3.32Å; R799-K803 VanDerWaalsContact O-CB 3.22Å; R799-K803 WeakPolarHBondContact O-CB 3.37Å; R799-K803 PolarHBondContact O-N 3.36Å
800L90.4Very high87.5Confident20 Ų2085.4 Ų85.411%0.10540%0.399CS..Hα-helixtrans-68.5-36.8177.3-75168.2000111.2A368 R371 R372 L375 E796 V797 D798 K803 I804A368-L800 HydrophobicContact CB-CD2 4.01Å; R371-L800 HydrophobicContact CB-CD1 4.18Å; R371-L800 HydrophobicContact CG-CD1 3.71Å; R372-L800 HydrophobicContact CB-CB 4.47Å; R372-L800 HydrophobicContact CB-CD1 4.33Å; L375-L800 HydrophobicContact CD1-CD1 3.92Å; E796-L800 HydrophobicContact CG-CD1 4.02Å; E796-L800 HydrophobicContact CG-CG 4.47Å; E796-L800 WeakPolarHBondContact O-CB 3.43Å; E796-L800 WeakPolarHBondContact O-CG 3.29Å; E796-L800 PolarHBondContact O-N 2.95Å; V797-L800 PolarHBondContact O-N 2.96Å; D798-L800 VanDerWaalsContact C-N 3.31Å; D798-L800 PolarHBondContact O-N 3.47Å; L800-K803 PolarHBondContact O-N 2.88Å; L800-I804 VanDerWaalsContact O-CB 3.24Å; L800-I804 WeakPolarHBondContact O-CB 3.2Å; L800-I804 WeakPolarHBondContact O-CD1 3.48Å; L800-I804 WeakPolarHBondContact O-CG1 3.28Å; L800-I804 PolarHBondContact O-N 3.37Å
801N88.3Confident88Confident48 Ų4884 Ų8426%0.25739%0.39SS..Hα-helixtrans-64.7-44.9176.1-77.1-34.7000111.9R372 V797 D798 I804 Q805R372-N801 WeakPolarHBondContact CD-OD1 3.45Å; R372-N801 PolarHBondContact NH1-OD1 3.45Å; R372-N801 VanDerWaalsContact NH1-OD1 3.13Å; V797-N801 PolarHBondContact O-N 3.27Å; V797-N801 PolarHBondContact O-ND2 3.31Å; D798-N801 PolarHBondContact O-N 2.9Å; D798-N801 VanDerWaalsContact O-N 3.17Å; N801-I804 PolarHBondContact O-N 3.23Å; N801-Q805 PolarHBondContact O-N 3.4Å
802D89.3Confident88.3Confident103 Ų10385.2 Ų85.255%0.55139%0.387SS*.Hα-helixtrans-61.7-47.8175.2-67.1-19.8000110.5D798 I804 Q805 E806D798-D802 PolarHBondContact O-N 3.05Å; D798-D802 VanDerWaalsContact O-N 3.1Å; D802-I804 PolarHBondContact O-N 3.41Å; D802-Q805 PolarHBondContact O-N 2.84Å; D802-Q805 VanDerWaalsContact O-N 3.17Å; D802-E806 PolarHBondContact O-N 3.36Å
803K90.7Very high88.5Confident110 Ų11081.3 Ų81.348%0.47837%0.371SS..Hα-helixtrans-62.2-40.4178-173.3170.1-178.8179.40112.6R799 L800 Q805 E806 L807R799-K803 VanDerWaalsContact O-CB 3.22Å; R799-K803 WeakPolarHBondContact O-CB 3.37Å; R799-K803 PolarHBondContact O-N 3.36Å; L800-K803 PolarHBondContact O-N 2.88Å; K803-Q805 VanDerWaalsContact C-N 3.35Å; K803-E806 PolarHBondContact O-N 2.92Å; K803-L807 HydrophobicContact CD-CD1 4.43Å; K803-L807 HydrophobicContact CG-CD1 3.78Å; K803-L807 HydrophobicContact CG-CG 4.18Å; K803-L807 VanDerWaalsContact O-CB 3.25Å; K803-L807 WeakPolarHBondContact O-CB 3.42Å; K803-L807 VanDerWaalsContact O-CG 3.22Å; K803-L807 WeakPolarHBondContact O-CG 3.38Å; K803-L807 PolarHBondContact O-N 2.91Å
804I89.6Confident88.8Confident10 Ų1080.2 Ų80.25%0.05137%0.366CS..Hα-helixtrans-63.7-41.7175.8-74.5162.8000110L365 A368 E369 R372 L800 N801 D802 T808L365-I804 HydrophobicContact CD1-CB 4.44Å; L365-I804 HydrophobicContact CD1-CG1 4.5Å; L365-I804 HydrophobicContact CD1-CG2 4.02Å; A368-I804 HydrophobicContact CB-CD1 4.38Å; A368-I804 HydrophobicContact CB-CG1 3.75Å; E369-I804 HydrophobicContact CG-CD1 4.1Å; E369-I804 HydrophobicContact CG-CG1 4.22Å; E369-I804 HydrophobicContact CG-CG2 4.4Å; R372-I804 HydrophobicContact CB-CD1 4.05Å; R372-I804 HydrophobicContact CG-CD1 4.44Å; L800-I804 VanDerWaalsContact O-CB 3.24Å; L800-I804 WeakPolarHBondContact O-CB 3.2Å; L800-I804 WeakPolarHBondContact O-CD1 3.48Å; L800-I804 WeakPolarHBondContact O-CG1 3.28Å; L800-I804 PolarHBondContact O-N 3.37Å; N801-I804 PolarHBondContact O-N 3.23Å; D802-I804 PolarHBondContact O-N 3.41Å; I804-T808 WeakPolarHBondContact O-CB 3.46Å; I804-T808 PolarHBondContact O-N 2.81Å; I804-T808 PolarHBondContact O-OG1 3.04Å
805Q89.3Confident89Confident143 Ų14382.5 Ų82.567%0.66837%0.373SS*.Hα-helixtrans-63.9-45177-75.9-172.8300112.3N801 D802 K803 T808 R809N801-Q805 PolarHBondContact O-N 3.4Å; D802-Q805 PolarHBondContact O-N 2.84Å; D802-Q805 VanDerWaalsContact O-N 3.17Å; K803-Q805 VanDerWaalsContact C-N 3.35Å; Q805-T808 PolarHBondContact O-N 3.38Å; Q805-R809 PolarHBondContact O-N 2.98Å; Q805-R809 VanDerWaalsContact O-N 3.1Å
806E91.1Very high89Confident128 Ų12881.3 Ų81.360%0.59837%0.372SS*.Hα-helixtrans-61.5-53.3176.1-72.7-177162.800111.4D802 K803 T808 R809 E810D802-E806 PolarHBondContact O-N 3.36Å; K803-E806 PolarHBondContact O-N 2.92Å; E806-T808 VanDerWaalsContact C-N 3.28Å; E806-T808 PolarHBondContact O-N 2.95Å; E806-R809 WeakPolarHBondContact O-CB 3.19Å; E806-R809 PolarHBondContact O-N 2.8Å; E806-E810 PolarHBondContact O-N 3.34Å
807L91.4Very high89.1Confident16 Ų1685 Ų858%0.08439%0.387CS..Hα-helixtrans-60.4-36.5178.2-71.8174.9000112.1L361 A364 L365 A368 K803 R809 E810 A811L361-L807 HydrophobicContact CD2-CD2 3.64Å; A364-L807 HydrophobicContact CB-CD1 3.97Å; A364-L807 HydrophobicContact CB-CD2 4.16Å; L365-L807 HydrophobicContact CB-CB 4.3Å; L365-L807 HydrophobicContact CD1-CB 3.91Å; A368-L807 HydrophobicContact CB-CD1 4.42Å; K803-L807 HydrophobicContact CD-CD1 4.43Å; K803-L807 HydrophobicContact CG-CD1 3.78Å; K803-L807 HydrophobicContact CG-CG 4.18Å; K803-L807 VanDerWaalsContact O-CB 3.25Å; K803-L807 WeakPolarHBondContact O-CB 3.42Å; K803-L807 VanDerWaalsContact O-CG 3.22Å; K803-L807 WeakPolarHBondContact O-CG 3.38Å; K803-L807 PolarHBondContact O-N 2.91Å; L807-R809 VanDerWaalsContact C-N 3.32Å; L807-R809 PolarHBondContact O-N 2.74Å; L807-E810 PolarHBondContact O-N 2.87Å; L807-A811 WeakPolarHBondContact O-CB 3.44Å; L807-A811 PolarHBondContact O-N 3.25Å
808T87.8Confident89.2Confident45 Ų4586.4 Ų86.428%0.27639%0.392SS..Hα-helixtrans-64.7-38.1175.8-60.20000111.3I804 Q805 E806 K812I804-T808 WeakPolarHBondContact O-CB 3.46Å; I804-T808 PolarHBondContact O-N 2.81Å; I804-T808 PolarHBondContact O-OG1 3.04Å; Q805-T808 PolarHBondContact O-N 3.38Å; E806-T808 VanDerWaalsContact C-N 3.28Å; E806-T808 PolarHBondContact O-N 2.95Å; T808-K812 WeakPolarHBondContact O-CB 3.29Å; T808-K812 WeakPolarHBondContact O-CG 3.4Å; T808-K812 PolarHBondContact O-N 2.64Å; T808-K812 VanDerWaalsContact O-N 3.11Å
809R90Very high89.2Confident181 Ų18185.1 Ų85.168%0.68339%0.385SS*.Hα-helixtrans-68.2-48.6176.7-164.8-177.291.3-1682.6110.7Q805 E806 L807 K812 D813Q805-R809 PolarHBondContact O-N 2.98Å; Q805-R809 VanDerWaalsContact O-N 3.1Å; E806-R809 WeakPolarHBondContact O-CB 3.19Å; E806-R809 PolarHBondContact O-N 2.8Å; L807-R809 VanDerWaalsContact C-N 3.32Å; L807-R809 PolarHBondContact O-N 2.74Å; R809-K812 PolarHBondContact O-N 3.01Å; R809-D813 PolarHBondContact O-N 3.15Å; R809-D813 VanDerWaalsContact O-N 3.12Å
810E90.8Very high89.1Confident87 Ų8780 Ų8041%0.40737%0.374SS..Hα-helixtrans-63.3-42.8179-68.8-175.4172.500111.9L361 E806 L807 K812 D813 A814L361-E810 HydrophobicContact CD1-CB 3.87Å; L361-E810 HydrophobicContact CD2-CB 3.88Å; L361-E810 WeakPolarHBondContact CD2-OE2 3.28Å; E806-E810 PolarHBondContact O-N 3.34Å; L807-E810 PolarHBondContact O-N 2.87Å; E810-K812 VanDerWaalsContact C-N 3.33Å; E810-K812 PolarHBondContact O-N 2.94Å; E810-D813 PolarHBondContact O-N 2.91Å; E810-A814 WeakPolarHBondContact O-CB 3.32Å; E810-A814 PolarHBondContact O-N 2.86Å
811A88.1Confident89.1Confident16 Ų1680.2 Ų80.213%0.13238%0.375CS..Hα-helixtrans-61.6-40176.100000111.5L361 L807 A814 Y815L361-A811 HydrophobicContact CB-CB 4.31Å; L807-A811 WeakPolarHBondContact O-CB 3.44Å; L807-A811 PolarHBondContact O-N 3.25Å; A811-A814 PolarHBondContact O-N 2.89Å; A811-Y815 WeakPolarHBondContact O-CB 3.49Å; A811-Y815 PolarHBondContact O-N 2.92Å
812K87.1Confident89Confident132 Ų13280.2 Ų80.257%0.57437%0.374SS*.Hα-helixtrans-63.4-40.2174.6-80.5178.4-179.8179.20112.7T808 R809 E810 K816T808-K812 WeakPolarHBondContact O-CB 3.29Å; T808-K812 WeakPolarHBondContact O-CG 3.4Å; T808-K812 PolarHBondContact O-N 2.64Å; T808-K812 VanDerWaalsContact O-N 3.11Å; R809-K812 PolarHBondContact O-N 3.01Å; E810-K812 VanDerWaalsContact C-N 3.33Å; E810-K812 PolarHBondContact O-N 2.94Å; K812-K816 WeakPolarHBondContact O-CG 3.31Å; K812-K816 PolarHBondContact O-N 2.79Å; K812-K816 VanDerWaalsContact O-N 3.08Å
813D89.2Confident88.9Confident77 Ų7778.5 Ų78.541%0.41237%0.367SS..Hα-helixtrans-73.6-39.2179-71.9-21.2000111.9R809 E810 K816 K817R809-D813 PolarHBondContact O-N 3.15Å; R809-D813 VanDerWaalsContact O-N 3.12Å; E810-D813 PolarHBondContact O-N 2.91Å; D813-K816 PolarHBondContact O-N 3.01Å; D813-K817 WeakPolarHBondContact O-CG 3.46Å; D813-K817 PolarHBondContact O-N 2.81Å; D813-K817 VanDerWaalsContact O-N 3.1Å
814A89Confident88.8Confident4 Ų477 Ų773%0.03336%0.361CS..Hα-helixtrans-62.2-45.1172.200000111.1F357 E358 L361 E810 A811 K816 K817 R818F357-A814 HydrophobicContact CD1-CB 3.85Å; F357-A814 HydrophobicContact CE1-CB 4.13Å; E358-A814 HydrophobicContact CB-CB 4.2Å; L361-A814 HydrophobicContact CD1-CB 3.71Å; E810-A814 WeakPolarHBondContact O-CB 3.32Å; E810-A814 PolarHBondContact O-N 2.86Å; A811-A814 PolarHBondContact O-N 2.89Å; A814-K816 PolarHBondContact O-N 3.1Å; A814-K817 PolarHBondContact O-N 3.32Å; A814-R818 WeakPolarHBondContact O-CB 3.23Å; A814-R818 PolarHBondContact O-N 2.97Å
815Y86.6Confident88.8Confident122 Ų12277.9 Ų77.948%0.47837%0.365SS..Hα-helixtrans-58.2-45.7175.8178.4-104000112.5E358 A811 R818 I819E358-Y815 WeakPolarHBondContact OE1-CD2 3.15Å; E358-Y815 WeakPolarHBondContact OE2-CA 3.44Å; A811-Y815 WeakPolarHBondContact O-CB 3.49Å; A811-Y815 PolarHBondContact O-N 2.92Å; Y815-R818 PolarHBondContact O-N 2.98Å; Y815-I819 HydrophobicContact CD1-CD1 3.79Å; Y815-I819 HydrophobicContact CD2-CD1 4.37Å; Y815-I819 HydrophobicContact CE1-CD1 3.21Å; Y815-I819 HydrophobicContact CE1-CG1 4.28Å; Y815-I819 HydrophobicContact CE2-CD1 3.87Å; Y815-I819 HydrophobicContact CE2-CG1 4.3Å; Y815-I819 HydrophobicContact CG-CD1 4.35Å; Y815-I819 WeakPolarHBondContact O-CB 3.36Å; Y815-I819 WeakPolarHBondContact O-CG1 3.43Å; Y815-I819 PolarHBondContact O-N 3.4Å; Y815-I819 WeakPolarHBondContact OH-CD1 3.26Å
816K88.2Confident88.6Confident136 Ų13674.1 Ų74.159%0.59135%0.35SS*.Hα-helixtrans-60.4-46.9175.3-76.5176-178.1175.40112K812 D813 A814 I819 T820K812-K816 WeakPolarHBondContact O-CG 3.31Å; K812-K816 PolarHBondContact O-N 2.79Å; K812-K816 VanDerWaalsContact O-N 3.08Å; D813-K816 PolarHBondContact O-N 3.01Å; A814-K816 PolarHBondContact O-N 3.1Å; K816-I819 PolarHBondContact O-N 2.89Å; K816-T820 WeakPolarHBondContact O-CG2 3.4Å; K816-T820 PolarHBondContact O-N 3.25Å; K816-T820 PolarHBondContact O-OG1 3.45Å
817K88.9Confident88.4Confident140 Ų14074 Ų7461%0.60935%0.349SS*.Hα-helixtrans-62.8-46.5177.9-74.1177.3-178.4174.90111.5D813 A814 T820 L821D813-K817 WeakPolarHBondContact O-CG 3.46Å; D813-K817 PolarHBondContact O-N 2.81Å; D813-K817 VanDerWaalsContact O-N 3.1Å; A814-K817 PolarHBondContact O-N 3.32Å; K817-T820 PolarHBondContact O-N 2.95Å; K817-T820 PolarHBondContact O-OG1 2.79Å; K817-L821 WeakPolarHBondContact O-CG 3.32Å; K817-L821 PolarHBondContact O-N 2.78Å
818R89.4Confident88.2Confident30 Ų3076.3 Ų76.311%0.11336%0.358CS..Hα-helixtrans-61.8-44.3177.8-171.4-144.452.797.622.1110.9Y351 A354 K355 E358 A814 Y815 T820 L821 E822Y351-R818 HydrophobicContact CD2-CG 4.3Å; Y351-R818 HydrophobicContact CE2-CG 4.04Å; A354-R818 HydrophobicContact CB-CB 4.39Å; K355-R818 HydrophobicContact CB-CG 4.27Å; E358-R818 IonicContact OE1-NE 3.95Å; E358-R818 WeakPolarHBondContact OE2-CB 3.25Å; E358-R818 WeakPolarHBondContact OE2-CD 3.28Å; E358-R818 WeakPolarHBondContact OE2-CG 3.27Å; E358-R818 IonicContact OE2-NE 2.7Å; E358-R818 PolarHBondContact OE2-NE 3.32Å; A814-R818 WeakPolarHBondContact O-CB 3.23Å; A814-R818 PolarHBondContact O-N 2.97Å; Y815-R818 PolarHBondContact O-N 2.98Å; R818-T820 PolarHBondContact O-N 3.06Å; R818-L821 PolarHBondContact O-N 3.31Å; R818-E822 IonicContact CZ-OE1 3Å; R818-E822 IonicContact CZ-OE2 3.77Å; R818-E822 IonicContact NH1-OE1 2.77Å; R818-E822 PolarHBondContact NH1-OE1 3.13Å; R818-E822 IonicContact NH1-OE2 2.86Å; R818-E822 PolarHBondContact NH1-OE2 3.12Å; R818-E822 IonicContact NH2-OE2 3.85Å; R818-E822 PolarHBondContact NH2-OE2 3.29Å; R818-E822 WeakPolarHBondContact O-CB 3.37Å; R818-E822 PolarHBondContact O-N 3.39Å
819I87Confident88.1Confident55 Ų5575.4 Ų75.428%0.28235%0.351SS..Hα-helixtrans-56.6-49.9174.6-77.1-179.4000111Y815 K816 L821 E822 T823Y815-I819 HydrophobicContact CD1-CD1 3.79Å; Y815-I819 HydrophobicContact CD2-CD1 4.37Å; Y815-I819 HydrophobicContact CE1-CD1 3.21Å; Y815-I819 HydrophobicContact CE1-CG1 4.28Å; Y815-I819 HydrophobicContact CE2-CD1 3.87Å; Y815-I819 HydrophobicContact CE2-CG1 4.3Å; Y815-I819 HydrophobicContact CG-CD1 4.35Å; Y815-I819 WeakPolarHBondContact O-CB 3.36Å; Y815-I819 WeakPolarHBondContact O-CG1 3.43Å; Y815-I819 PolarHBondContact O-N 3.4Å; Y815-I819 WeakPolarHBondContact OH-CD1 3.26Å; K816-I819 PolarHBondContact O-N 2.89Å; I819-L821 VanDerWaalsContact C-N 3.29Å; I819-L821 PolarHBondContact O-N 3.19Å; I819-E822 WeakPolarHBondContact O-CB 3.47Å; I819-E822 PolarHBondContact O-N 3.29Å; I819-E822 VanDerWaalsContact O-N 3.11Å; I819-T823 HydrophobicContact CG2-CG2 4.28Å; I819-T823 WeakPolarHBondContact O-CG2 3.45Å; I819-T823 PolarHBondContact O-N 3.1Å; I819-T823 PolarHBondContact O-OG1 2.85Å; I819-T823 VanDerWaalsContact O-OG1 3.1Å
820T88.9Confident87.7Confident76 Ų7670.2 Ų70.247%0.46634%0.339SS..Hα-helixtrans-61.9-39.9-177.354.70000112.2K816 K817 R818 T823 E824K816-T820 WeakPolarHBondContact O-CG2 3.4Å; K816-T820 PolarHBondContact O-N 3.25Å; K816-T820 PolarHBondContact O-OG1 3.45Å; K817-T820 PolarHBondContact O-N 2.95Å; K817-T820 PolarHBondContact O-OG1 2.79Å; R818-T820 PolarHBondContact O-N 3.06Å; T820-T823 PolarHBondContact O-OG1 3.22Å; T820-E824 PolarHBondContact O-N 2.83Å
821L89.8Confident87.5Confident26 Ų2669.1 Ų69.114%0.13633%0.334CS..Hα-helixtrans-71.7-34.4175.3-70.4170.2000112L347 Q350 A354 K817 R818 I819 K825L347-L821 HydrophobicContact CD2-CD2 3.87Å; Q350-L821 HydrophobicContact CB-CD1 4.08Å; Q350-L821 HydrophobicContact CB-CD2 4.07Å; A354-L821 HydrophobicContact CB-CD1 3.75Å; K817-L821 WeakPolarHBondContact O-CG 3.32Å; K817-L821 PolarHBondContact O-N 2.78Å; R818-L821 PolarHBondContact O-N 3.31Å; I819-L821 VanDerWaalsContact C-N 3.29Å; I819-L821 PolarHBondContact O-N 3.19Å; L821-K825 WeakPolarHBondContact O-CB 3.44Å; L821-K825 PolarHBondContact O-N 3.02Å
822E87.9Confident87.4Confident48 Ų4868.9 Ų68.922%0.22433%0.331CS..Hα-helixtrans-67.9-43.7176.9-176.2168.2-115.600111.7Y351 R818 I819 K825 N826Y351-E822 HydrophobicContact CD2-CB 4.1Å; Y351-E822 HydrophobicContact CE2-CB 3.72Å; Y351-E822 HydrophobicContact CE2-CG 3.98Å; Y351-E822 PolarHBondContact OH-OE1 3.26Å; R818-E822 IonicContact CZ-OE1 3Å; R818-E822 IonicContact CZ-OE2 3.77Å; R818-E822 IonicContact NH1-OE1 2.77Å; R818-E822 PolarHBondContact NH1-OE1 3.13Å; R818-E822 IonicContact NH1-OE2 2.86Å; R818-E822 PolarHBondContact NH1-OE2 3.12Å; R818-E822 IonicContact NH2-OE2 3.85Å; R818-E822 PolarHBondContact NH2-OE2 3.29Å; R818-E822 WeakPolarHBondContact O-CB 3.37Å; R818-E822 PolarHBondContact O-N 3.39Å; I819-E822 WeakPolarHBondContact O-CB 3.47Å; I819-E822 PolarHBondContact O-N 3.29Å; I819-E822 VanDerWaalsContact O-N 3.11Å; E822-K825 PolarHBondContact O-N 3.18Å; E822-N826 WeakPolarHBondContact CG-ND2 3.32Å; E822-N826 WeakPolarHBondContact O-CB 3.31Å; E822-N826 PolarHBondContact O-N 3.39Å; E822-N826 PolarHBondContact O-ND2 3.49Å
823T85.4Confident86.9Confident67 Ų6766.4 Ų66.441%0.41132%0.321SS..Hα-helixtrans-63-48.3176.5490000110.3I819 T820 K825 N826 E827I819-T823 HydrophobicContact CG2-CG2 4.28Å; I819-T823 WeakPolarHBondContact O-CG2 3.45Å; I819-T823 PolarHBondContact O-N 3.1Å; I819-T823 PolarHBondContact O-OG1 2.85Å; I819-T823 VanDerWaalsContact O-OG1 3.1Å; T820-T823 PolarHBondContact O-OG1 3.22Å; T823-K825 PolarHBondContact O-N 3.39Å; T823-N826 PolarHBondContact O-N 2.92Å; T823-E827 VanDerWaalsContact O-CB 3.3Å; T823-E827 WeakPolarHBondContact O-CB 3.3Å; T823-E827 WeakPolarHBondContact O-CG 3.47Å; T823-E827 PolarHBondContact O-N 3.1Å
824E89.1Confident86.3Confident77 Ų7768.8 Ų68.836%0.3633%0.33SS..Hα-helixtrans-62.9-43.7176.7-76.3-169.4-154.400112.2R343 L347 T820 K828R343-E824 IonicContact CZ-OE2 2.87Å; R343-E824 IonicContact NE-OE2 2.65Å; R343-E824 IonicContact NH2-OE2 3.08Å; R343-E824 PolarHBondContact NH2-OE2 3.5Å; L347-E824 HydrophobicContact CD1-CB 4.04Å; L347-E824 HydrophobicContact CD2-CB 4.04Å; T820-E824 PolarHBondContact O-N 2.83Å; E824-K828 WeakPolarHBondContact O-CB 3.49Å; E824-K828 VanDerWaalsContact O-CG 3.26Å; E824-K828 WeakPolarHBondContact O-CG 3.44Å; E824-K828 PolarHBondContact O-N 3.03Å
825K90Very high85.9Confident29 Ų2973.3 Ų73.313%0.12635%0.353CS..Hα-helixtrans-60.3-51.3176.5175-169.6167.4-79.80110.7L344 Y351 L821 E822 T823 K828 E829L344-K825 HydrophobicContact CD2-CG 4.46Å; Y351-K825 HydrophobicContact CD1-CD 3.63Å; Y351-K825 HydrophobicContact CD2-CD 4.24Å; Y351-K825 HydrophobicContact CE1-CD 4.08Å; Y351-K825 HydrophobicContact CG-CD 3.7Å; L821-K825 WeakPolarHBondContact O-CB 3.44Å; L821-K825 PolarHBondContact O-N 3.02Å; E822-K825 PolarHBondContact O-N 3.18Å; T823-K825 PolarHBondContact O-N 3.39Å; K825-K828 PolarHBondContact O-N 3.46Å; K825-E829 WeakPolarHBondContact CE-OE1 3.41Å; K825-E829 WeakPolarHBondContact CE-OE2 3.27Å; K825-E829 HydrophobicContact CG-CG 4.27Å; K825-E829 VanDerWaalsContact NZ-CD 3.27Å; K825-E829 IonicContact NZ-OE1 3.89Å; K825-E829 PolarHBondContact NZ-OE1 3.34Å; K825-E829 IonicContact NZ-OE2 2.59Å; K825-E829 PolarHBondContact NZ-OE2 2.79Å; K825-E829 WeakPolarHBondContact O-CB 3.44Å; K825-E829 WeakPolarHBondContact O-CG 3.35Å; K825-E829 PolarHBondContact O-N 2.78Å
826N85.2Confident85.9Confident65 Ų6568 Ų6835%0.34833%0.333SS..Hα-helixtrans-67.9-36-176.5-70.3-8.7000111.5E822 T823 K828 T830E822-N826 WeakPolarHBondContact CG-ND2 3.32Å; E822-N826 WeakPolarHBondContact O-CB 3.31Å; E822-N826 PolarHBondContact O-N 3.39Å; E822-N826 PolarHBondContact O-ND2 3.49Å; T823-N826 PolarHBondContact O-N 2.92Å; N826-K828 VanDerWaalsContact C-N 3.35Å; N826-T830 WeakPolarHBondContact O-CB 3.29Å; N826-T830 PolarHBondContact O-N 2.82Å; N826-T830 PolarHBondContact O-OG1 3.41Å
827E86.6Confident85.5Confident126 Ų12664.2 Ų64.259%0.58932%0.319SS*.Hα-helixtrans-60.3-45.3171.4-78.5173.2-17100111.2T823 Q831T823-E827 VanDerWaalsContact O-CB 3.3Å; T823-E827 WeakPolarHBondContact O-CB 3.3Å; T823-E827 WeakPolarHBondContact O-CG 3.47Å; T823-E827 PolarHBondContact O-N 3.1Å; E827-Q831 VanDerWaalsContact O-CB 3.24Å; E827-Q831 WeakPolarHBondContact O-CB 3.12Å; E827-Q831 PolarHBondContact O-N 3.32Å
828K87.9Confident85.1Confident63 Ų6366.2 Ų66.227%0.27432%0.323SS..Hα-helixtrans-72.9-36.6179-66.5-65.9165.9-163.60113.3V340 R343 L344 L347 E824 K825 N826 Q831 L832V340-K828 HydrophobicContact CG1-CB 4.14Å; V340-K828 HydrophobicContact CG1-CD 4.2Å; V340-K828 VanDerWaalsContact CG1-O 3.32Å; V340-K828 WeakPolarHBondContact CG1-O 3.44Å; R343-K828 HydrophobicContact CG-CD 4.39Å; R343-K828 HydrophobicContact CG-CG 4.27Å; L344-K828 HydrophobicContact CD1-CB 4.4Å; L344-K828 HydrophobicContact CD2-CB 3.57Å; L344-K828 HydrophobicContact CG-CB 3.82Å; L347-K828 HydrophobicContact CD1-CG 4.19Å; E824-K828 WeakPolarHBondContact O-CB 3.49Å; E824-K828 VanDerWaalsContact O-CG 3.26Å; E824-K828 WeakPolarHBondContact O-CG 3.44Å; E824-K828 PolarHBondContact O-N 3.03Å; K825-K828 PolarHBondContact O-N 3.46Å; N826-K828 VanDerWaalsContact C-N 3.35Å; K828-Q831 PolarHBondContact O-N 3.5Å; K828-L832 WeakPolarHBondContact O-CB 3.42Å; K828-L832 PolarHBondContact O-N 2.77Å
829E84.5Confident84.7Confident27 Ų2768.9 Ų68.913%0.12634%0.335CS..Hα-helixtrans-66.9-43.2173.4-73.7-178.1165.300110.6L344 R348 K825 Q831 L832 E833L344-E829 HydrophobicContact CD1-CG 4.11Å; L344-E829 HydrophobicContact CD2-CG 3.58Å; R348-E829 IonicContact CZ-OE1 3.09Å; R348-E829 IonicContact NE-OE1 2.91Å; R348-E829 PolarHBondContact NE-OE1 3.41Å; R348-E829 IonicContact NH2-OE1 3.94Å; R348-E829 PolarHBondContact NH2-OE1 3.49Å; K825-E829 WeakPolarHBondContact CE-OE1 3.41Å; K825-E829 WeakPolarHBondContact CE-OE2 3.27Å; K825-E829 HydrophobicContact CG-CG 4.27Å; K825-E829 VanDerWaalsContact NZ-CD 3.27Å; K825-E829 IonicContact NZ-OE1 3.89Å; K825-E829 PolarHBondContact NZ-OE1 3.34Å; K825-E829 IonicContact NZ-OE2 2.59Å; K825-E829 PolarHBondContact NZ-OE2 2.79Å; K825-E829 WeakPolarHBondContact O-CB 3.44Å; K825-E829 WeakPolarHBondContact O-CG 3.35Å; K825-E829 PolarHBondContact O-N 2.78Å; E829-Q831 VanDerWaalsContact C-N 3.33Å; E829-Q831 PolarHBondContact O-N 3.33Å; E829-L832 PolarHBondContact O-N 3.29Å; E829-E833 WeakPolarHBondContact O-CB 3.42Å; E829-E833 WeakPolarHBondContact O-CG 3.37Å; E829-E833 PolarHBondContact O-N 3.37Å
830T83Confident84.6Confident71 Ų7168 Ų6844%0.43633%0.33SS..Hα-helixtrans-62.1-42.8173.5-58.50000110.9N826 L832 H834 N835N826-T830 WeakPolarHBondContact O-CB 3.29Å; N826-T830 PolarHBondContact O-N 2.82Å; N826-T830 PolarHBondContact O-OG1 3.41Å; T830-L832 VanDerWaalsContact C-N 3.33Å; T830-L832 PolarHBondContact O-N 2.82Å; T830-H834 HydrophobicContact CG2-CB 4.39Å; T830-H834 WeakPolarHBondContact O-CB 3.4Å; T830-H834 PolarHBondContact O-N 3.41Å; T830-N835 PolarHBondContact O-N 2.78Å
831Q86.6Confident84Confident64 Ų6468.7 Ų68.730%0.29933%0.328SS..Iπ-helixtrans-62-40.8175.5-172.8178.26.800111.5V340 E827 K828 E829 N835 L836V340-Q831 HydrophobicContact CG2-CG 4.25Å; E827-Q831 VanDerWaalsContact O-CB 3.24Å; E827-Q831 WeakPolarHBondContact O-CB 3.12Å; E827-Q831 PolarHBondContact O-N 3.32Å; K828-Q831 PolarHBondContact O-N 3.5Å; E829-Q831 VanDerWaalsContact C-N 3.33Å; E829-Q831 PolarHBondContact O-N 3.33Å; Q831-N835 WeakPolarHBondContact O-CB 3.41Å; Q831-L836 HydrophobicContact CG-CD1 4.14Å; Q831-L836 HydrophobicContact CG-CG 4.44Å; Q831-L836 WeakPolarHBondContact O-CB 3.47Å; Q831-L836 VanDerWaalsContact O-CG 3.31Å; Q831-L836 WeakPolarHBondContact O-CG 3.39Å; Q831-L836 PolarHBondContact O-N 3.34Å
832L85.5Confident83.6Confident12 Ų1272.7 Ų72.76%0.06335%0.346CS..Iπ-helixtrans-72.1-57.2179.1-177.261.9000111.8I337 V340 E341 L344 K828 E829 T830 L836 L837I337-L832 HydrophobicContact CB-CD1 4.37Å; I337-L832 HydrophobicContact CG1-CD1 4.13Å; I337-L832 HydrophobicContact CG2-CD1 3.9Å; V340-L832 HydrophobicContact CG1-CB 3.86Å; E341-L832 HydrophobicContact CG-CD1 4.11Å; E341-L832 HydrophobicContact CG-CD2 3.97Å; L344-L832 HydrophobicContact CD1-CB 4.12Å; L344-L832 HydrophobicContact CD1-CD2 3.58Å; L344-L832 HydrophobicContact CD1-CG 4.49Å; K828-L832 WeakPolarHBondContact O-CB 3.42Å; K828-L832 PolarHBondContact O-N 2.77Å; E829-L832 PolarHBondContact O-N 3.29Å; T830-L832 VanDerWaalsContact C-N 3.33Å; T830-L832 PolarHBondContact O-N 2.82Å; L832-L836 PolarHBondContact O-N 2.83Å; L832-L837 HydrophobicContact CD1-CD1 4.24Å; L832-L837 HydrophobicContact CD1-CG 3.96Å; L832-L837 HydrophobicContact CG-CD1 3.89Å; L832-L837 HydrophobicContact CG-CG 4.12Å; L832-L837 WeakPolarHBondContact O-CB 3.08Å; L832-L837 WeakPolarHBondContact O-CG 3.2Å; L832-L837 PolarHBondContact O-N 3.06Å
833E76.8Confident83.3Confident80 Ų8070.5 Ų70.537%0.37434%0.336SS..Iπ-helixtrans-76.1-48.2-169.4-66.2175.9179.800112.2E829E829-E833 WeakPolarHBondContact O-CB 3.42Å; E829-E833 WeakPolarHBondContact O-CG 3.37Å; E829-E833 PolarHBondContact O-N 3.37Å
834H76Confident82.9Confident126 Ų12670.5 Ų70.558%0.58333%0.331SS*.Iπ-helixtrans-86.4-25.9-173.5-68.9-56000113.9T830T830-H834 HydrophobicContact CG2-CB 4.39Å; T830-H834 WeakPolarHBondContact O-CB 3.4Å; T830-H834 PolarHBondContact O-N 3.41Å
835N80.9Confident82.2Confident100 Ų10069.2 Ų69.254%0.53533%0.33SS..Iπ-helixtrans-107.6-63-179-59.8-27.4000112T830 Q831 K839T830-N835 PolarHBondContact O-N 2.78Å; Q831-N835 WeakPolarHBondContact O-CB 3.41Å; N835-K839 WeakPolarHBondContact O-CB 3.32Å; N835-K839 PolarHBondContact O-N 2.95Å
836L85.9Confident81.3Confident9 Ų971.8 Ų71.85%0.04734%0.343CS..Iπ-helixtrans-76.7-48.5-165.3-67.1173.8000113.8V333 Q336 I337 V340 Q831 L832 K839 Q840V333-L836 HydrophobicContact CG1-CD2 4.27Å; V333-L836 WeakPolarHBondContact CG1-O 3.49Å; Q336-L836 HydrophobicContact CB-CD1 4.03Å; Q336-L836 HydrophobicContact CB-CD2 3.81Å; Q336-L836 VanDerWaalsContact OE1-CD2 3.26Å; I337-L836 HydrophobicContact CD1-CB 4.14Å; I337-L836 HydrophobicContact CG1-CB 3.56Å; I337-L836 HydrophobicContact CG1-CD1 4.15Å; I337-L836 HydrophobicContact CG1-CG 4.37Å; V340-L836 HydrophobicContact CB-CD1 4.23Å; V340-L836 HydrophobicContact CG2-CD1 3.73Å; Q831-L836 HydrophobicContact CG-CD1 4.14Å; Q831-L836 HydrophobicContact CG-CG 4.44Å; Q831-L836 WeakPolarHBondContact O-CB 3.47Å; Q831-L836 VanDerWaalsContact O-CG 3.31Å; Q831-L836 WeakPolarHBondContact O-CG 3.39Å; Q831-L836 PolarHBondContact O-N 3.34Å; L832-L836 PolarHBondContact O-N 2.83Å; L836-K839 CarbonylContact O-C 3.58Å; L836-K839 PolarHBondContact O-N 2.8Å; L836-Q840 WeakPolarHBondContact O-CB 3.46Å; L836-Q840 PolarHBondContact O-N 3.29Å
837L80.9Confident80.7Confident58 Ų5870 Ų7030%0.30433%0.334SS..Iπ-helixtrans-64.9-42.9178.8-75.9172.9000111.2I337 L832 K839 Q840 E841I337-L837 HydrophobicContact CD1-CD2 4.22Å; L832-L837 HydrophobicContact CD1-CD1 4.24Å; L832-L837 HydrophobicContact CD1-CG 3.96Å; L832-L837 HydrophobicContact CG-CD1 3.89Å; L832-L837 HydrophobicContact CG-CG 4.12Å; L832-L837 WeakPolarHBondContact O-CB 3.08Å; L832-L837 WeakPolarHBondContact O-CG 3.2Å; L832-L837 PolarHBondContact O-N 3.06Å; L837-K839 VanDerWaalsContact C-N 3.29Å; L837-K839 PolarHBondContact O-N 2.83Å; L837-Q840 WeakPolarHBondContact O-CB 3.15Å; L837-Q840 PolarHBondContact O-N 3.08Å; L837-E841 PolarHBondContact O-N 3.03Å
838R79.7Confident79.8Confident182 Ų18267.3 Ų67.369%0.68733%0.334SS*.Hα-helixtrans-61.1-40174.3-168.9178.4-179.4-170.20.8111.8Q842R838-Q842 WeakPolarHBondContact O-CB 3.34Å; R838-Q842 PolarHBondContact O-N 3.32Å
839K80.8Confident78.6Confident86 Ų8670.4 Ų70.437%0.37435%0.349SS..Hα-helixtrans-71.4-35.5176.6-168.6158.1-175.9175.70112.2E329 V333 N835 L836 L837 Q842 L843E329-K839 WeakPolarHBondContact OE1-CE 3.3Å; E329-K839 IonicContact OE1-NZ 3.94Å; E329-K839 PolarHBondContact OE1-NZ 2.93Å; V333-K839 HydrophobicContact CG2-CD 4.28Å; V333-K839 HydrophobicContact CG2-CG 4.13Å; N835-K839 WeakPolarHBondContact O-CB 3.32Å; N835-K839 PolarHBondContact O-N 2.95Å; L836-K839 CarbonylContact O-C 3.58Å; L836-K839 PolarHBondContact O-N 2.8Å; L837-K839 VanDerWaalsContact C-N 3.29Å; L837-K839 PolarHBondContact O-N 2.83Å; K839-Q842 PolarHBondContact O-N 2.67Å; K839-L843 HydrophobicContact CG-CD1 3.9Å; K839-L843 HydrophobicContact CG-CG 4.39Å; K839-L843 WeakPolarHBondContact O-CB 3.23Å; K839-L843 WeakPolarHBondContact O-CD1 3.5Å; K839-L843 WeakPolarHBondContact O-CG 3.49Å; K839-L843 PolarHBondContact O-N 3Å
840Q85.6Confident77.1Confident37 Ų3770.5 Ų70.517%0.17336%0.355CS..Hα-helixtrans-61.6-50.9171.6-177.3-171.6-6.600110.6L330 V333 I337 L836 L837 Q842 L843 E844L330-Q840 HydrophobicContact CD1-CB 4.42Å; L330-Q840 HydrophobicContact CD1-CG 3.71Å; V333-Q840 HydrophobicContact CG1-CB 4.04Å; I337-Q840 HydrophobicContact CD1-CB 3.85Å; I337-Q840 HydrophobicContact CD1-CG 4.3Å; L836-Q840 WeakPolarHBondContact O-CB 3.46Å; L836-Q840 PolarHBondContact O-N 3.29Å; L837-Q840 WeakPolarHBondContact O-CB 3.15Å; L837-Q840 PolarHBondContact O-N 3.08Å; Q840-Q842 VanDerWaalsContact C-N 3.31Å; Q840-Q842 PolarHBondContact O-N 3.44Å; Q840-L843 PolarHBondContact O-N 2.89Å; Q840-E844 HydrophobicContact CG-CG 4.21Å; Q840-E844 WeakPolarHBondContact CG-OE1 3.07Å; Q840-E844 PolarHBondContact NE2-OE1 3.44Å; Q840-E844 VanDerWaalsContact O-CB 3.32Å; Q840-E844 WeakPolarHBondContact O-CB 3.48Å; Q840-E844 VanDerWaalsContact O-CG 3.3Å; Q840-E844 WeakPolarHBondContact O-CG 3.39Å; Q840-E844 PolarHBondContact O-N 2.88Å
841E76.6Confident75.8Confident89 Ų8970.1 Ų70.142%0.41636%0.355SS..Hα-helixtrans-60-41.7178-76.6-179.1-175.600111.8R747 L837 E844 S845R747-E841 IonicContact CZ-OE2 3.07Å; R747-E841 IonicContact NH1-OE1 2.69Å; R747-E841 PolarHBondContact NH1-OE1 3.13Å; R747-E841 IonicContact NH1-OE2 3.19Å; R747-E841 PolarHBondContact NH1-OE2 3.27Å; L837-E841 PolarHBondContact O-N 3.03Å; E841-E844 PolarHBondContact O-N 2.86Å; E841-S845 VanDerWaalsContact O-CB 3.27Å; E841-S845 WeakPolarHBondContact O-CB 3.32Å; E841-S845 PolarHBondContact O-N 2.91Å
842Q80.3Confident74.6Confident110 Ų11068.8 Ų68.851%0.51435%0.349SS..Hα-helixtrans-61.3-48.9175.6-175.4-176.4-18.200111.1R838 K839 Q840 S845 E846R838-Q842 WeakPolarHBondContact O-CB 3.34Å; R838-Q842 PolarHBondContact O-N 3.32Å; K839-Q842 PolarHBondContact O-N 2.67Å; Q840-Q842 VanDerWaalsContact C-N 3.31Å; Q840-Q842 PolarHBondContact O-N 3.44Å; Q842-S845 WeakPolarHBondContact O-CB 3.41Å; Q842-S845 PolarHBondContact O-N 3.32Å; Q842-E846 WeakPolarHBondContact CG-OE1 3.42Å; Q842-E846 PolarHBondContact NE2-OE1 3.1Å; Q842-E846 WeakPolarHBondContact O-CG 3.24Å; Q842-E846 PolarHBondContact O-N 2.65Å
843L81.9Confident73.6Confident3 Ų373.6 Ų73.62%0.01637%0.371CS..Hα-helixtrans-68.5-35.6179.9-70.1167000112.2A326 E329 L330 V333 K839 Q840 S845 E846 V847A326-L843 HydrophobicContact CB-CD2 4.08Å; E329-L843 HydrophobicContact CB-CD1 4.01Å; E329-L843 HydrophobicContact CB-CD2 4.13Å; E329-L843 HydrophobicContact CG-CD1 3.84Å; E329-L843 HydrophobicContact CG-CD2 4.35Å; L330-L843 HydrophobicContact CB-CB 4.12Å; L330-L843 HydrophobicContact CB-CD1 4.43Å; L330-L843 HydrophobicContact CD1-CB 3.97Å; V333-L843 HydrophobicContact CB-CD1 4.44Å; V333-L843 HydrophobicContact CG2-CD1 3.88Å; K839-L843 HydrophobicContact CG-CD1 3.9Å; K839-L843 HydrophobicContact CG-CG 4.39Å; K839-L843 WeakPolarHBondContact O-CB 3.23Å; K839-L843 WeakPolarHBondContact O-CD1 3.5Å; K839-L843 WeakPolarHBondContact O-CG 3.49Å; K839-L843 PolarHBondContact O-N 3Å; Q840-L843 PolarHBondContact O-N 2.89Å; L843-S845 VanDerWaalsContact C-N 3.35Å; L843-E846 PolarHBondContact O-N 3.01Å; L843-V847 WeakPolarHBondContact O-CB 3.44Å; L843-V847 WeakPolarHBondContact O-CG2 3.47Å; L843-V847 PolarHBondContact O-N 3.29Å
844E78.1Confident73Confident66 Ų6673.1 Ų73.131%0.30837%0.371SS..Hα-helixtrans-66-39.3173-76.1178.217300111.2L330 R334 Q840 E841 V847 A848L330-E844 HydrophobicContact CD1-CG 3.69Å; L330-E844 HydrophobicContact CD2-CG 3.88Å; L330-E844 HydrophobicContact CG-CG 4.46Å; R334-E844 IonicContact CZ-OE1 2.83Å; R334-E844 IonicContact NE-OE1 3.68Å; R334-E844 IonicContact NH2-OE1 2.79Å; R334-E844 PolarHBondContact NH2-OE1 2.97Å; Q840-E844 HydrophobicContact CG-CG 4.21Å; Q840-E844 WeakPolarHBondContact CG-OE1 3.07Å; Q840-E844 PolarHBondContact NE2-OE1 3.44Å; Q840-E844 VanDerWaalsContact O-CB 3.32Å; Q840-E844 WeakPolarHBondContact O-CB 3.48Å; Q840-E844 VanDerWaalsContact O-CG 3.3Å; Q840-E844 WeakPolarHBondContact O-CG 3.39Å; Q840-E844 PolarHBondContact O-N 2.88Å; E841-E844 PolarHBondContact O-N 2.86Å; E844-V847 PolarHBondContact O-N 3.34Å; E844-A848 WeakPolarHBondContact O-CB 3.34Å; E844-A848 PolarHBondContact O-N 3.29Å
845S73.5Confident72.6Confident50 Ų5069.7 Ų69.735%0.3536%0.357SS..Hα-helixtrans-64.9-43.5171.9-168.70000111.2E841 Q842 L843 V847 A848 E849E841-S845 VanDerWaalsContact O-CB 3.27Å; E841-S845 WeakPolarHBondContact O-CB 3.32Å; E841-S845 PolarHBondContact O-N 2.91Å; Q842-S845 WeakPolarHBondContact O-CB 3.41Å; Q842-S845 PolarHBondContact O-N 3.32Å; L843-S845 VanDerWaalsContact C-N 3.35Å; S845-V847 VanDerWaalsContact C-N 3.34Å; S845-V847 PolarHBondContact O-N 3.27Å; S845-A848 PolarHBondContact O-N 3.39Å; S845-E849 WeakPolarHBondContact O-CB 3.37Å; S845-E849 VanDerWaalsContact O-CG 3.28Å; S845-E849 WeakPolarHBondContact O-CG 3.34Å; S845-E849 PolarHBondContact O-N 2.97Å
846E70.7Confident72.2Confident83 Ų8368.6 Ų68.639%0.38835%0.348SS..Hα-helixtrans-64-39.2176.9-74.6174.2-162.900111.7A326 Q842 L843 A850A326-E846 HydrophobicContact CB-CB 4.36Å; Q842-E846 WeakPolarHBondContact CG-OE1 3.42Å; Q842-E846 PolarHBondContact NE2-OE1 3.1Å; Q842-E846 WeakPolarHBondContact O-CG 3.24Å; Q842-E846 PolarHBondContact O-N 2.65Å; L843-E846 PolarHBondContact O-N 3.01Å; E846-A850 PolarHBondContact O-N 3.29Å
847V72.5Confident71.6Confident28 Ų2872.1 Ų72.117%0.1737%0.367CS..Hα-helixtrans-69.4-33.4174.9171.80000111.9R323 A326 L843 E844 S845R323-V847 HydrophobicContact CG-CG1 4.49Å; A326-V847 HydrophobicContact CB-CG2 3.86Å; L843-V847 WeakPolarHBondContact O-CB 3.44Å; L843-V847 WeakPolarHBondContact O-CG2 3.47Å; L843-V847 PolarHBondContact O-N 3.29Å; E844-V847 PolarHBondContact O-N 3.34Å; S845-V847 VanDerWaalsContact C-N 3.34Å; S845-V847 PolarHBondContact O-N 3.27Å
848A68.7Low71.3Confident70 Ų7073.9 Ų73.958%0.57937%0.37SS*.Hα-helixtrans-85.6-32.6-179.900000113.8E844 S845 A850E844-A848 WeakPolarHBondContact O-CB 3.34Å; E844-A848 PolarHBondContact O-N 3.29Å; S845-A848 PolarHBondContact O-N 3.39Å; A848-A850 VanDerWaalsContact C-N 3.29Å
849E62Low71.3Confident127 Ų12766.2 Ų66.259%0.59334%0.342SS*.Hα-helixtrans-71.7-25.6175.9-77.5-170.7160.100111.9S845 S851S845-E849 WeakPolarHBondContact O-CB 3.37Å; S845-E849 VanDerWaalsContact O-CG 3.28Å; S845-E849 WeakPolarHBondContact O-CG 3.34Å; S845-E849 PolarHBondContact O-N 2.97Å; E849-S851 PolarHBondContact O-N 3.09Å
850A52.9Low71.3Confident29 Ų2964.8 Ų64.824%0.2434%0.341CS..  trans-72.461.4163.700000110.6E846 A848 E852E846-A850 PolarHBondContact O-N 3.29Å; A848-A850 VanDerWaalsContact C-N 3.29Å; A850-E852 PolarHBondContact O-N 3.04Å
851S55.4Low70.9Confident64 Ų6465.8 Ų65.845%0.44835%0.346SS..  trans-67.578.5168.267.70000108.7E849 Q853 D854E849-S851 PolarHBondContact O-N 3.09Å; S851-Q853 PolarHBondContact O-N 3Å; S851-D854 PolarHBondContact O-N 3.27Å
852E60.9Low71Confident36 Ų3662.1 Ų62.117%0.16833%0.33CS..Hα-helixtrans-55.7-28.1176.5-77.4173.8174.900111.3K320 R323 A850 L855 Q856K320-E852 VanDerWaalsContact CG-OE1 3.27Å; K320-E852 WeakPolarHBondContact CG-OE1 2.81Å; R323-E852 WeakPolarHBondContact CD-OE1 3.45Å; R323-E852 IonicContact CZ-OE2 3.34Å; R323-E852 VanDerWaalsContact NH1-CD 3.33Å; R323-E852 IonicContact NH1-OE1 2.81Å; R323-E852 IonicContact NH1-OE2 3.55Å; R323-E852 PolarHBondContact NH1-OE2 2.72Å; A850-E852 PolarHBondContact O-N 3.04Å; E852-L855 PolarHBondContact O-N 3.11Å; E852-Q856 WeakPolarHBondContact O-CB 3.45Å; E852-Q856 PolarHBondContact O-N 3.13Å
853Q65.3Low71.2Confident112 Ų11260.3 Ų60.352%0.52332%0.321SS..Hα-helixtrans-59.3-51.9-178.3-82.1178.8-32.700112.5S851 L855 Q856 D857S851-Q853 PolarHBondContact O-N 3Å; Q853-L855 VanDerWaalsContact C-N 3.33Å; Q853-L855 PolarHBondContact O-N 3.31Å; Q853-Q856 CarbonylContact O-C 3.53Å; Q853-Q856 PolarHBondContact O-N 2.83Å; Q853-Q856 VanDerWaalsContact O-N 3.15Å; Q853-D857 VanDerWaalsContact O-CB 3.31Å; Q853-D857 WeakPolarHBondContact O-CB 3.44Å; Q853-D857 PolarHBondContact O-N 3.39Å
854D65.1Low71.3Confident71 Ų7165.1 Ų65.138%0.3834%0.344SS..Hα-helixtrans-60.5-41.5-179.1-85.429.4000112.9S851 R858S851-D854 PolarHBondContact O-N 3.27Å; D854-R858 WeakPolarHBondContact O-CB 3.4Å; D854-R858 WeakPolarHBondContact O-CG 3.15Å; D854-R858 PolarHBondContact O-N 2.93Å; D854-R858 VanDerWaalsContact O-N 3.08Å
855L67.6Low71.4Confident53 Ų5364.8 Ų64.828%0.27734%0.342SS..Hα-helixtrans-72.5-35.1178.9-105.6140.2000111.6Y312 T315 L316 E852 Q853 L859Y312-L855 HydrophobicContact CD1-CD2 3.76Å; Y312-L855 HydrophobicContact CG-CD2 4.46Å; T315-L855 HydrophobicContact CG2-CD1 4.1Å; T315-L855 HydrophobicContact CG2-CD2 3.89Å; L316-L855 HydrophobicContact CD1-CB 4.5Å; E852-L855 PolarHBondContact O-N 3.11Å; Q853-L855 VanDerWaalsContact C-N 3.33Å; Q853-L855 PolarHBondContact O-N 3.31Å; L855-L859 VanDerWaalsContact O-CB 3.3Å; L855-L859 WeakPolarHBondContact O-CB 3.12Å; L855-L859 PolarHBondContact O-N 2.92Å
856Q72.6Confident72Confident78 Ų7863.5 Ų63.536%0.36433%0.331SS..Hα-helixtrans-73.2-38177.4-163.3149.2-30.500111.3L316 E852 Q853 L859 T860L316-Q856 HydrophobicContact CD1-CB 3.83Å; L316-Q856 HydrophobicContact CD1-CG 4.12Å; E852-Q856 WeakPolarHBondContact O-CB 3.45Å; E852-Q856 PolarHBondContact O-N 3.13Å; Q853-Q856 CarbonylContact O-C 3.53Å; Q853-Q856 PolarHBondContact O-N 2.83Å; Q853-Q856 VanDerWaalsContact O-N 3.15Å; Q856-L859 WeakPolarHBondContact O-CB 3.48Å; Q856-L859 PolarHBondContact O-N 3.35Å; Q856-T860 WeakPolarHBondContact O-CG2 3.38Å; Q856-T860 PolarHBondContact O-N 2.85Å; Q856-T860 PolarHBondContact O-OG1 3.28Å
857D71.6Confident72.7Confident82 Ų8267.3 Ų67.344%0.43934%0.342SS..Hα-helixtrans-65.8-41.6175.5-67-19000110.5Q853 T860 E861Q853-D857 VanDerWaalsContact O-CB 3.31Å; Q853-D857 WeakPolarHBondContact O-CB 3.44Å; Q853-D857 PolarHBondContact O-N 3.39Å; D857-T860 VanDerWaalsContact CA-OG1 3.3Å; D857-T860 WeakPolarHBondContact CA-OG1 3.45Å; D857-T860 PolarHBondContact O-N 3.09Å; D857-T860 PolarHBondContact O-OG1 2.74Å; D857-E861 VanDerWaalsContact O-CB 3.28Å; D857-E861 WeakPolarHBondContact O-CB 3.49Å; D857-E861 PolarHBondContact O-N 3.44Å
858R74.5Confident73.2Confident96 Ų9669.6 Ų69.636%0.36235%0.351SS..Hα-helixtrans-65.7-36.7172.2-73174.8-164.9-1766.5113Y312 D854 S862Y312-R858 HydrophobicContact CD2-CB 4.47Å; Y312-R858 HydrophobicContact CE2-CB 4.05Å; D854-R858 WeakPolarHBondContact O-CB 3.4Å; D854-R858 WeakPolarHBondContact O-CG 3.15Å; D854-R858 PolarHBondContact O-N 2.93Å; D854-R858 VanDerWaalsContact O-N 3.08Å; R858-S862 WeakPolarHBondContact O-CB 3.37Å; R858-S862 PolarHBondContact O-N 2.91Å; R858-S862 PolarHBondContact O-OG 2.86Å
859L79.9Confident73.8Confident21 Ų2167 Ų6711%0.1133%0.328CS..Hα-helixtrans-64.6-48.5174.2178.966.8000110I309 L316 L855 Q856 E861 S862 E863I309-L859 HydrophobicContact CB-CD1 4.38Å; I309-L859 HydrophobicContact CG2-CD1 3.87Å; L316-L859 HydrophobicContact CD1-CD2 3.91Å; L855-L859 VanDerWaalsContact O-CB 3.3Å; L855-L859 WeakPolarHBondContact O-CB 3.12Å; L855-L859 PolarHBondContact O-N 2.92Å; Q856-L859 WeakPolarHBondContact O-CB 3.48Å; Q856-L859 PolarHBondContact O-N 3.35Å; L859-E861 VanDerWaalsContact C-N 3.3Å; L859-E861 PolarHBondContact O-N 3.18Å; L859-S862 PolarHBondContact O-N 3Å; L859-E863 HydrophobicContact CD1-CG 4.42Å; L859-E863 WeakPolarHBondContact O-CB 3.41Å; L859-E863 WeakPolarHBondContact O-CG 3.39Å; L859-E863 PolarHBondContact O-N 3.48Å
860T81.3Confident74.8Confident56 Ų5664.7 Ų64.734%0.34432%0.317SS..Hα-helixtrans-62.3-38.3177.251.70000111.9Q856 D857 E863 E864Q856-T860 WeakPolarHBondContact O-CG2 3.38Å; Q856-T860 PolarHBondContact O-N 2.85Å; Q856-T860 PolarHBondContact O-OG1 3.28Å; D857-T860 VanDerWaalsContact CA-OG1 3.3Å; D857-T860 WeakPolarHBondContact CA-OG1 3.45Å; D857-T860 PolarHBondContact O-N 3.09Å; D857-T860 PolarHBondContact O-OG1 2.74Å; T860-E863 PolarHBondContact O-N 3.16Å; T860-E864 WeakPolarHBondContact O-CB 3.41Å; T860-E864 WeakPolarHBondContact O-CG 3.14Å; T860-E864 PolarHBondContact O-N 2.82Å
861E77.9Confident76.4Confident58 Ų5871.1 Ų71.127%0.27134%0.335SS..Hα-helixtrans-63.4-44.9175.4-179.7167-127.700111.4R456 D857 L859 E863 E864 E865R456-E861 IonicContact CZ-OE1 3.17Å; R456-E861 IonicContact NE-OE1 3.31Å; R456-E861 PolarHBondContact NE-OE1 2.89Å; R456-E861 IonicContact NH2-OE1 3.7Å; R456-E861 IonicContact NH2-OE2 2.64Å; D857-E861 VanDerWaalsContact O-CB 3.28Å; D857-E861 WeakPolarHBondContact O-CB 3.49Å; D857-E861 PolarHBondContact O-N 3.44Å; L859-E861 VanDerWaalsContact C-N 3.3Å; L859-E861 PolarHBondContact O-N 3.18Å; E861-E863 PolarHBondContact O-N 3.36Å; E861-E864 PolarHBondContact O-N 2.89Å; E861-E865 WeakPolarHBondContact O-CG 3.48Å; E861-E865 PolarHBondContact O-N 3.21Å
862S79.2Confident77.5Confident12 Ų1272.1 Ų72.18%0.08434%0.335CS..Hα-helixtrans-67.4-36.8177.4-54.80000112Y312 R858 L859 L866Y312-S862 WeakPolarHBondContact CE2-OG 3.31Å; R858-S862 WeakPolarHBondContact O-CB 3.37Å; R858-S862 PolarHBondContact O-N 2.91Å; R858-S862 PolarHBondContact O-OG 2.86Å; L859-S862 PolarHBondContact O-N 3Å; S862-L866 WeakPolarHBondContact O-CB 3.47Å; S862-L866 PolarHBondContact O-N 2.86Å
863E83.7Confident78.5Confident72 Ų7270.9 Ų70.934%0.33633%0.329SS..Hα-helixtrans-67.7-38.5175.3-75.3178.3177.800112.3I309 L859 T860 E861 L866 R867I309-E863 HydrophobicContact CD1-CG 4.18Å; I309-E863 HydrophobicContact CG1-CG 4.39Å; I309-E863 HydrophobicContact CG2-CG 4.42Å; L859-E863 HydrophobicContact CD1-CG 4.42Å; L859-E863 WeakPolarHBondContact O-CB 3.41Å; L859-E863 WeakPolarHBondContact O-CG 3.39Å; L859-E863 PolarHBondContact O-N 3.48Å; T860-E863 PolarHBondContact O-N 3.16Å; E861-E863 PolarHBondContact O-N 3.36Å; E863-L866 PolarHBondContact O-N 3.07Å; E863-R867 WeakPolarHBondContact O-CG 3.47Å; E863-R867 PolarHBondContact O-N 3.04Å
864E83.3Confident79.3Confident103 Ų10370.4 Ų70.448%0.48133%0.327SS..Hα-helixtrans-66.2-45.1173.2-76.1-176.7178.600111.4T860 E861 L866 R867 E868T860-E864 WeakPolarHBondContact O-CB 3.41Å; T860-E864 WeakPolarHBondContact O-CG 3.14Å; T860-E864 PolarHBondContact O-N 2.82Å; E861-E864 PolarHBondContact O-N 2.89Å; E864-L866 VanDerWaalsContact C-N 3.29Å; E864-L866 PolarHBondContact O-N 3.46Å; E864-R867 PolarHBondContact O-N 3.26Å; E864-E868 PolarHBondContact O-N 2.91Å
865E80.5Confident80.2Confident60 Ų6068.7 Ų68.728%0.2833%0.326SS..Hα-helixtrans-58.6-41.5172.7-77.1-171.2-155.900111.3R301 L305 E861 E868 V869R301-E865 IonicContact CZ-OE2 3.8Å; R301-E865 IonicContact NH2-OE2 2.67Å; R301-E865 PolarHBondContact NH2-OE2 3.26Å; L305-E865 HydrophobicContact CD1-CB 3.97Å; L305-E865 HydrophobicContact CD2-CB 4.07Å; E861-E865 WeakPolarHBondContact O-CG 3.48Å; E861-E865 PolarHBondContact O-N 3.21Å; E865-E868 PolarHBondContact O-N 3.46Å; E865-V869 WeakPolarHBondContact O-CB 3.41Å; E865-V869 VanDerWaalsContact O-CG2 3.29Å; E865-V869 WeakPolarHBondContact O-CG2 3.38Å; E865-V869 PolarHBondContact O-N 3.05Å
866L85.8Confident80.8Confident22 Ų2266.8 Ų66.812%0.11532%0.318CS..Hα-helixtrans-62.9-44.4177.6-179.267.3000111.3R302 L305 Q306 I309 S862 E863 E864 E868 V869 E870R302-L866 HydrophobicContact CG-CD1 3.64Å; L305-L866 HydrophobicContact CB-CD1 4.15Å; Q306-L866 HydrophobicContact CG-CD1 3.86Å; Q306-L866 HydrophobicContact CG-CD2 4.04Å; I309-L866 HydrophobicContact CD1-CB 3.8Å; I309-L866 HydrophobicContact CD1-CD2 3.59Å; I309-L866 HydrophobicContact CD1-CG 4.26Å; S862-L866 WeakPolarHBondContact O-CB 3.47Å; S862-L866 PolarHBondContact O-N 2.86Å; E863-L866 PolarHBondContact O-N 3.07Å; E864-L866 VanDerWaalsContact C-N 3.29Å; E864-L866 PolarHBondContact O-N 3.46Å; L866-E868 VanDerWaalsContact C-N 3.29Å; L866-E868 PolarHBondContact O-N 3.46Å; L866-V869 PolarHBondContact O-N 3.17Å; L866-E870 HydrophobicContact CD1-CG 4.4Å; L866-E870 HydrophobicContact CG-CG 4.39Å; L866-E870 WeakPolarHBondContact O-CB 3.36Å; L866-E870 VanDerWaalsContact O-CG 3.32Å; L866-E870 WeakPolarHBondContact O-CG 3.48Å; L866-E870 PolarHBondContact O-N 3Å
867R86.2Confident81.2Confident163 Ų16367.4 Ų67.462%0.61532%0.321SS*.Hα-helixtrans-62.5-37.9176.6-73.1-179.9-162.2165.410.3112.1E863 E864 R871E863-R867 WeakPolarHBondContact O-CG 3.47Å; E863-R867 PolarHBondContact O-N 3.04Å; E864-R867 PolarHBondContact O-N 3.26Å; R867-R871 WeakPolarHBondContact O-CB 3.42Å; R867-R871 PolarHBondContact O-N 3.35Å
868E82.1Confident81.8Confident77 Ų7770.7 Ų70.736%0.3633%0.327SS..Hα-helixtrans-66.4-43.9176.4-177160.3-150.900111.4E864 E865 L866 R871 L872E864-E868 PolarHBondContact O-N 2.91Å; E865-E868 PolarHBondContact O-N 3.46Å; L866-E868 VanDerWaalsContact C-N 3.29Å; L866-E868 PolarHBondContact O-N 3.46Å; E868-R871 WeakPolarHBondContact O-CB 3.16Å; E868-R871 PolarHBondContact O-N 3.25Å; E868-R871 IonicContact OE1-NH2 2.96Å; E868-L872 WeakPolarHBondContact O-CG 3.45Å; E868-L872 PolarHBondContact O-N 3.36Å
869V82.6Confident82.2Confident15 Ų1568.8 Ų68.89%0.09133%0.327CS..Hα-helixtrans-64-41.8174.9170.20000111.5V298 R301 R302 L305 E865 L866 R871 L872 I873V298-V869 HydrophobicContact CG1-CG1 3.77Å; R301-V869 HydrophobicContact CG-CG2 4.01Å; R302-V869 HydrophobicContact CB-CG1 3.93Å; L305-V869 HydrophobicContact CD1-CB 4.36Å; L305-V869 HydrophobicContact CD1-CG2 3.82Å; E865-V869 WeakPolarHBondContact O-CB 3.41Å; E865-V869 VanDerWaalsContact O-CG2 3.29Å; E865-V869 WeakPolarHBondContact O-CG2 3.38Å; E865-V869 PolarHBondContact O-N 3.05Å; L866-V869 PolarHBondContact O-N 3.17Å; V869-R871 VanDerWaalsContact C-N 3.32Å; V869-R871 PolarHBondContact O-N 3.41Å; V869-L872 CarbonylContact O-C 3.16Å; V869-L872 WeakPolarHBondContact O-CB 3.37Å; V869-L872 PolarHBondContact O-N 2.93Å; V869-L872 VanDerWaalsContact O-N 3.13Å; V869-I873 HydrophobicContact CG1-CD1 4.07Å; V869-I873 VanDerWaalsContact O-CG1 3.32Å; V869-I873 WeakPolarHBondContact O-CG1 3.37Å; V869-I873 PolarHBondContact O-N 3.31Å
870E83.5Confident82.3Confident79 Ų7968.9 Ų68.937%0.36933%0.328SS..Hα-helixtrans-61.2-41.1174.7-76.1175.4167.200111.6L866 L872 I873 E874L866-E870 HydrophobicContact CD1-CG 4.4Å; L866-E870 HydrophobicContact CG-CG 4.39Å; L866-E870 WeakPolarHBondContact O-CB 3.36Å; L866-E870 VanDerWaalsContact O-CG 3.32Å; L866-E870 WeakPolarHBondContact O-CG 3.48Å; L866-E870 PolarHBondContact O-N 3Å; E870-L872 VanDerWaalsContact C-N 3.33Å; E870-L872 PolarHBondContact O-N 2.99Å; E870-I873 PolarHBondContact O-N 3.19Å; E870-E874 PolarHBondContact O-N 3.39Å
871R85Confident82.4Confident163 Ų16370.9 Ų70.962%0.61534%0.336SS*.Hα-helixtrans-62.9-39.3173-171.9-17367165.8-2.3111.8R867 E868 V869 E874 G875R867-R871 WeakPolarHBondContact O-CB 3.42Å; R867-R871 PolarHBondContact O-N 3.35Å; E868-R871 WeakPolarHBondContact O-CB 3.16Å; E868-R871 PolarHBondContact O-N 3.25Å; E868-R871 IonicContact OE1-NH2 2.96Å; V869-R871 VanDerWaalsContact C-N 3.32Å; V869-R871 PolarHBondContact O-N 3.41Å; R871-E874 PolarHBondContact O-N 3.05Å; R871-G875 PolarHBondContact O-N 3.1Å
872L79.7Confident82.9Confident85 Ų8572.9 Ų72.945%0.44535%0.346SS..Hα-helixtrans-66.4-37.7174.7-70.4171.6000111.6V298 E868 V869 E870 G875 A876V298-L872 HydrophobicContact CG1-CB 4.22Å; E868-L872 WeakPolarHBondContact O-CG 3.45Å; E868-L872 PolarHBondContact O-N 3.36Å; V869-L872 CarbonylContact O-C 3.16Å; V869-L872 WeakPolarHBondContact O-CB 3.37Å; V869-L872 PolarHBondContact O-N 2.93Å; V869-L872 VanDerWaalsContact O-N 3.13Å; E870-L872 VanDerWaalsContact C-N 3.33Å; E870-L872 PolarHBondContact O-N 2.99Å; L872-G875 PolarHBondContact O-N 3.17Å; L872-A876 VanDerWaalsContact O-CB 3.23Å; L872-A876 WeakPolarHBondContact O-CB 3.35Å; L872-A876 PolarHBondContact O-N 2.77Å
873I80.9Confident83.2Confident10 Ų1072.7 Ų72.75%0.05134%0.344CS..Hα-helixtrans-64.3-47.4174.7-68.2166.7000110.4V298 L299 R302 V869 E870 G875 A876 Q877V298-I873 HydrophobicContact CB-CG1 4.25Å; V298-I873 HydrophobicContact CG1-CD1 4.14Å; V298-I873 HydrophobicContact CG1-CG1 3.4Å; V298-I873 VanDerWaalsContact CG1-CG1 3.4Å; L299-I873 HydrophobicContact CD2-CD1 3.97Å; L299-I873 HydrophobicContact CD2-CG2 4.44Å; R302-I873 HydrophobicContact CB-CD1 3.89Å; R302-I873 HydrophobicContact CG-CD1 4.14Å; V869-I873 HydrophobicContact CG1-CD1 4.07Å; V869-I873 VanDerWaalsContact O-CG1 3.32Å; V869-I873 WeakPolarHBondContact O-CG1 3.37Å; V869-I873 PolarHBondContact O-N 3.31Å; E870-I873 PolarHBondContact O-N 3.19Å; I873-G875 VanDerWaalsContact C-N 3.29Å; I873-G875 PolarHBondContact O-N 2.87Å; I873-A876 PolarHBondContact O-N 3.39Å; I873-Q877 HydrophobicContact CG2-CG 4.17Å; I873-Q877 WeakPolarHBondContact O-CB 3.3Å; I873-Q877 WeakPolarHBondContact O-CG 3.48Å; I873-Q877 PolarHBondContact O-N 2.92Å
874E83.4Confident83.2Confident103 Ų10373.2 Ų73.248%0.48135%0.346SS..Hα-helixtrans-59.8-42.6176.2-75.1-174-168.100111.5E870 R871 R878E870-E874 PolarHBondContact O-N 3.39Å; R871-E874 PolarHBondContact O-N 3.05Å; E874-R878 VanDerWaalsContact O-CG 3.26Å; E874-R878 WeakPolarHBondContact O-CG 3.38Å; E874-R878 PolarHBondContact O-N 2.86Å; E874-R878 IonicContact OE2-NH2 2.68Å; E874-R878 PolarHBondContact OE2-NH2 2.73Å
875G83.4Confident83.5Confident34 Ų3472.4 Ų72.435%0.35135%0.348SS..Hα-helixtrans-61-46.9174.600000112.1R871 L872 I873 R878 T879R871-G875 PolarHBondContact O-N 3.1Å; L872-G875 PolarHBondContact O-N 3.17Å; I873-G875 VanDerWaalsContact C-N 3.29Å; I873-G875 PolarHBondContact O-N 2.87Å; G875-R878 PolarHBondContact O-N 3.28Å; G875-T879 WeakPolarHBondContact O-CG2 3.44Å; G875-T879 PolarHBondContact O-N 3.37Å
876A79.3Confident83.8Confident14 Ų1475.9 Ų75.912%0.11636%0.359CS..Hα-helixtrans-68-39.3-179.100000112.2V295 L872 I873 T879 V880V295-A876 HydrophobicContact CG2-CB 3.64Å; L872-A876 VanDerWaalsContact O-CB 3.23Å; L872-A876 WeakPolarHBondContact O-CB 3.35Å; L872-A876 PolarHBondContact O-N 2.77Å; I873-A876 PolarHBondContact O-N 3.39Å; A876-T879 WeakPolarHBondContact CA-OG1 3.44Å; A876-T879 PolarHBondContact O-N 3.36Å; A876-T879 PolarHBondContact O-OG1 3.26Å; A876-V880 WeakPolarHBondContact O-CG2 3.37Å; A876-V880 PolarHBondContact O-N 3.25Å
877Q80.9Confident83.9Confident91 Ų9176 Ų7643%0.42536%0.36SS..Hα-helixtrans-64-41.6173.8-76.9173.9-19.100111.6I873 T879 V880 D881I873-Q877 HydrophobicContact CG2-CG 4.17Å; I873-Q877 WeakPolarHBondContact O-CB 3.3Å; I873-Q877 WeakPolarHBondContact O-CG 3.48Å; I873-Q877 PolarHBondContact O-N 2.92Å; Q877-T879 VanDerWaalsContact C-N 3.28Å; Q877-T879 PolarHBondContact O-N 3.5Å; Q877-V880 WeakPolarHBondContact O-CB 3.45Å; Q877-V880 PolarHBondContact O-N 2.71Å; Q877-V880 VanDerWaalsContact O-N 3.13Å; Q877-D881 PolarHBondContact O-N 3.29Å
878R85.6Confident84Confident150 Ų15071.5 Ų71.557%0.56635%0.353SS*.Hα-helixtrans-60-40.5172.1-72.5174.6-163.5171.911.4111.5E874 G875 V880 D881 E882E874-R878 VanDerWaalsContact O-CG 3.26Å; E874-R878 WeakPolarHBondContact O-CG 3.38Å; E874-R878 PolarHBondContact O-N 2.86Å; E874-R878 IonicContact OE2-NH2 2.68Å; E874-R878 PolarHBondContact OE2-NH2 2.73Å; G875-R878 PolarHBondContact O-N 3.28Å; R878-V880 VanDerWaalsContact C-N 3.35Å; R878-D881 PolarHBondContact O-N 2.69Å; R878-E882 WeakPolarHBondContact O-CB 3.37Å; R878-E882 VanDerWaalsContact O-CG 3.29Å; R878-E882 WeakPolarHBondContact O-CG 3.3Å; R878-E882 PolarHBondContact O-N 3.29Å
879T81.8Confident84.3Confident57 Ų5770.6 Ų70.635%0.3536%0.359SS..Hα-helixtrans-66.4-36.3175.257.60000112.6G875 A876 Q877 E882 V883G875-T879 WeakPolarHBondContact O-CG2 3.44Å; G875-T879 PolarHBondContact O-N 3.37Å; A876-T879 WeakPolarHBondContact CA-OG1 3.44Å; A876-T879 PolarHBondContact O-N 3.36Å; A876-T879 PolarHBondContact O-OG1 3.26Å; Q877-T879 VanDerWaalsContact C-N 3.28Å; Q877-T879 PolarHBondContact O-N 3.5Å; T879-E882 PolarHBondContact O-N 3.39Å; T879-V883 WeakPolarHBondContact O-CB 3.2Å; T879-V883 VanDerWaalsContact O-CG2 3.22Å; T879-V883 WeakPolarHBondContact O-CG2 3.31Å; T879-V883 PolarHBondContact O-N 3.48Å
880V81.5Confident84.6Confident22 Ų2271 Ų7113%0.13336%0.36CS..Hα-helixtrans-61.4-50.7172.51730000109.8V291 V295 A876 Q877 R878 E882 V883 E884V291-V880 HydrophobicContact CB-CG2 4.42Å; V291-V880 HydrophobicContact CG1-CG2 3.46Å; V291-V880 VanDerWaalsContact CG1-CG2 3.46Å; V295-V880 HydrophobicContact CG2-CG2 3.86Å; A876-V880 WeakPolarHBondContact O-CG2 3.37Å; A876-V880 PolarHBondContact O-N 3.25Å; Q877-V880 WeakPolarHBondContact O-CB 3.45Å; Q877-V880 PolarHBondContact O-N 2.71Å; Q877-V880 VanDerWaalsContact O-N 3.13Å; R878-V880 VanDerWaalsContact C-N 3.35Å; V880-E882 VanDerWaalsContact C-N 3.3Å; V880-E882 PolarHBondContact O-N 3.18Å; V880-V883 PolarHBondContact O-N 2.98Å; V880-E884 HydrophobicContact CG1-CG 4.05Å; V880-E884 WeakPolarHBondContact CG1-OE1 3.21Å; V880-E884 WeakPolarHBondContact O-CB 3.32Å; V880-E884 WeakPolarHBondContact O-CG 3.3Å; V880-E884 PolarHBondContact O-N 3.06Å
881D84.8Confident84.7Confident98 Ų9869.8 Ų69.852%0.52436%0.356SS..Hα-helixtrans-60.1-40.3179.3-66.9-21.7000111.4Q877 R878 T885Q877-D881 PolarHBondContact O-N 3.29Å; R878-D881 PolarHBondContact O-N 2.69Å; D881-T885 VanDerWaalsContact O-CB 3.29Å; D881-T885 WeakPolarHBondContact O-CB 3.41Å; D881-T885 WeakPolarHBondContact O-CG2 3.22Å; D881-T885 PolarHBondContact O-N 2.86Å; D881-T885 PolarHBondContact O-OG1 3.19Å
882E88.1Confident84.9Confident101 Ų10167.1 Ų67.147%0.47235%0.35SS..Hα-helixtrans-64.9-41.8175.9-77.8-179.2-158.900112.7R878 T879 V880 T885 R886R878-E882 WeakPolarHBondContact O-CB 3.37Å; R878-E882 VanDerWaalsContact O-CG 3.29Å; R878-E882 WeakPolarHBondContact O-CG 3.3Å; R878-E882 PolarHBondContact O-N 3.29Å; T879-E882 PolarHBondContact O-N 3.39Å; V880-E882 VanDerWaalsContact C-N 3.3Å; V880-E882 PolarHBondContact O-N 3.18Å; E882-T885 WeakPolarHBondContact CA-OG1 3.42Å; E882-T885 PolarHBondContact O-OG1 2.89Å; E882-R886 VanDerWaalsContact O-CG 3.26Å; E882-R886 WeakPolarHBondContact O-CG 3.33Å; E882-R886 PolarHBondContact O-N 3.14Å; E882-R886 VanDerWaalsContact O-N 3.16Å; E882-R886 IonicContact OE2-NH2 3.16Å
883V84.8Confident85.2Confident7 Ų767.3 Ų67.34%0.04235%0.349CS..Hα-helixtrans-74.4-40.8179178.70000110.6M284 E287 V288 T879 V880 T885 R886 L887M284-V883 HydrophobicContact SD-CG1 4.34Å; E287-V883 HydrophobicContact CB-CG1 4.46Å; E287-V883 HydrophobicContact CG-CG1 4.34Å; E287-V883 HydrophobicContact CG-CG2 4.42Å; V288-V883 HydrophobicContact CG2-CB 4.4Å; V288-V883 HydrophobicContact CG2-CG1 3.48Å; V288-V883 VanDerWaalsContact CG2-CG1 3.48Å; T879-V883 WeakPolarHBondContact O-CB 3.2Å; T879-V883 VanDerWaalsContact O-CG2 3.22Å; T879-V883 WeakPolarHBondContact O-CG2 3.31Å; T879-V883 PolarHBondContact O-N 3.48Å; V880-V883 PolarHBondContact O-N 2.98Å; V883-T885 PolarHBondContact O-N 3.16Å; V883-R886 PolarHBondContact O-N 3.4Å; V883-L887 WeakPolarHBondContact O-CB 3.47Å; V883-L887 PolarHBondContact O-N 2.99Å
884E85Confident85.4Confident84 Ų8467.6 Ų67.639%0.39335%0.35SS..Hα-helixtrans-65-38.8176.1-74.5-174.4177.600111.9V880 L887 S888V880-E884 HydrophobicContact CG1-CG 4.05Å; V880-E884 WeakPolarHBondContact CG1-OE1 3.21Å; V880-E884 WeakPolarHBondContact O-CB 3.32Å; V880-E884 WeakPolarHBondContact O-CG 3.3Å; V880-E884 PolarHBondContact O-N 3.06Å; E884-L887 PolarHBondContact O-N 3.02Å; E884-S888 WeakPolarHBondContact O-CB 3.31Å; E884-S888 PolarHBondContact O-N 3.01Å
885T88.4Confident85.6Confident85 Ų8570.9 Ų70.952%0.52136%0.358SS..Hα-helixtrans-64.7-41.8173.848.90000111.5D881 E882 V883 S888 A889D881-T885 VanDerWaalsContact O-CB 3.29Å; D881-T885 WeakPolarHBondContact O-CB 3.41Å; D881-T885 WeakPolarHBondContact O-CG2 3.22Å; D881-T885 PolarHBondContact O-N 2.86Å; D881-T885 PolarHBondContact O-OG1 3.19Å; E882-T885 WeakPolarHBondContact CA-OG1 3.42Å; E882-T885 PolarHBondContact O-OG1 2.89Å; V883-T885 PolarHBondContact O-N 3.16Å; T885-S888 PolarHBondContact O-N 3.38Å; T885-S888 PolarHBondContact O-OG 2.9Å; T885-A889 WeakPolarHBondContact O-CB 3.48Å; T885-A889 PolarHBondContact O-N 3.23Å
886R87.3Confident85.8Confident134 Ų13474.2 Ų74.251%0.50636%0.364SS..Hα-helixtrans-62.5-44.9172.8-72174.2-164.7173.510.2112M284 E882 V883 S888 A889 L890M284-R886 HydrophobicContact SD-CB 4.48Å; E882-R886 VanDerWaalsContact O-CG 3.26Å; E882-R886 WeakPolarHBondContact O-CG 3.33Å; E882-R886 PolarHBondContact O-N 3.14Å; E882-R886 VanDerWaalsContact O-N 3.16Å; E882-R886 IonicContact OE2-NH2 3.16Å; V883-R886 PolarHBondContact O-N 3.4Å; R886-S888 VanDerWaalsContact C-N 3.31Å; R886-S888 PolarHBondContact O-N 3.32Å; R886-A889 PolarHBondContact O-N 3.38Å; R886-L890 WeakPolarHBondContact O-CB 3.45Å; R886-L890 PolarHBondContact O-N 2.63Å
887L87.6Confident86.2Confident25 Ų2574.5 Ų74.513%0.13136%0.364CS..Hα-helixtrans-60.4-42.1175.7-179.563.5000111E281 M284 Q285 V288 V883 E884 A889 L890 L891E281-L887 HydrophobicContact CG-CD1 4.05Å; M284-L887 HydrophobicContact CB-CD1 4.09Å; Q285-L887 HydrophobicContact CG-CD1 4.27Å; Q285-L887 HydrophobicContact CG-CD2 4.36Å; V288-L887 HydrophobicContact CG2-CD2 4.21Å; V883-L887 WeakPolarHBondContact O-CB 3.47Å; V883-L887 PolarHBondContact O-N 2.99Å; E884-L887 PolarHBondContact O-N 3.02Å; L887-A889 PolarHBondContact O-N 3.36Å; L887-L890 PolarHBondContact O-N 3.16Å; L887-L891 HydrophobicContact CD1-CD1 4.46Å; L887-L891 HydrophobicContact CD1-CG 4.4Å; L887-L891 HydrophobicContact CG-CD1 4.13Å; L887-L891 WeakPolarHBondContact O-CB 3.43Å; L887-L891 VanDerWaalsContact O-CG 3.29Å; L887-L891 WeakPolarHBondContact O-CG 3.31Å; L887-L891 PolarHBondContact O-N 3.37Å
888S88.1Confident86.5Confident67 Ų6773.6 Ų73.647%0.46936%0.36SS..Hα-helixtrans-65.1-38.3177.279.80000112.6E884 T885 R886 H892E884-S888 WeakPolarHBondContact O-CB 3.31Å; E884-S888 PolarHBondContact O-N 3.01Å; T885-S888 PolarHBondContact O-N 3.38Å; T885-S888 PolarHBondContact O-OG 2.9Å; R886-S888 VanDerWaalsContact C-N 3.31Å; R886-S888 PolarHBondContact O-N 3.32Å; S888-H892 WeakPolarHBondContact O-CB 3.49Å; S888-H892 PolarHBondContact O-N 3.13Å
889A89.2Confident86.6Confident58 Ų5870.4 Ų70.448%0.47936%0.361SS..Hα-helixtrans-65.9-41.4174.700000110.8T885 R886 L887 H892 E893T885-A889 WeakPolarHBondContact O-CB 3.48Å; T885-A889 PolarHBondContact O-N 3.23Å; R886-A889 PolarHBondContact O-N 3.38Å; L887-A889 PolarHBondContact O-N 3.36Å; A889-H892 WeakPolarHBondContact O-CB 3.44Å; A889-H892 PolarHBondContact O-N 2.9Å; A889-E893 WeakPolarHBondContact O-CB 3.47Å; A889-E893 PolarHBondContact O-N 3.29Å
890L87.9Confident86.8Confident25 Ų2571.9 Ų71.913%0.13136%0.363CS..Hα-helixtrans-69.5-39.7179.6-153.4139.4000112N277 K280 E281 R886 L887 H892 E893 Q894N277-L890 HydrophobicContact CB-CD2 4.24Å; N277-L890 VanDerWaalsContact O-CD2 3.24Å; N277-L890 WeakPolarHBondContact O-CD2 3.29Å; K280-L890 HydrophobicContact CB-CD1 3.72Å; K280-L890 HydrophobicContact CB-CD2 4.22Å; K280-L890 HydrophobicContact CD-CD1 4.16Å; E281-L890 HydrophobicContact CB-CD2 4.01Å; R886-L890 WeakPolarHBondContact O-CB 3.45Å; R886-L890 PolarHBondContact O-N 2.63Å; L887-L890 PolarHBondContact O-N 3.16Å; L890-H892 VanDerWaalsContact C-N 3.32Å; L890-H892 PolarHBondContact O-N 3.34Å; L890-E893 PolarHBondContact O-N 2.8Å; L890-Q894 WeakPolarHBondContact O-CB 3.35Å; L890-Q894 PolarHBondContact O-N 2.84Å
891L86.1Confident87.1Confident53 Ų5371.5 Ų71.528%0.27736%0.36SS..Hα-helixtrans-64.6-35.4170.5-73.8171.3000112E281 L887 R895E281-L891 HydrophobicContact CG-CD2 4.33Å; L887-L891 HydrophobicContact CD1-CD1 4.46Å; L887-L891 HydrophobicContact CD1-CG 4.4Å; L887-L891 HydrophobicContact CG-CD1 4.13Å; L887-L891 WeakPolarHBondContact O-CB 3.43Å; L887-L891 VanDerWaalsContact O-CG 3.29Å; L887-L891 WeakPolarHBondContact O-CG 3.31Å; L887-L891 PolarHBondContact O-N 3.37Å; L891-R895 VanDerWaalsContact O-CG 3.31Å; L891-R895 WeakPolarHBondContact O-CG 3.49Å; L891-R895 PolarHBondContact O-N 3.18Å
892H88.7Confident87.1Confident106 Ų10672.7 Ų72.749%0.49136%0.363SS..Hα-helixtrans-67.2-45174.3-172.669.5000111.4S888 A889 L890 Q894 R895 Q896S888-H892 WeakPolarHBondContact O-CB 3.49Å; S888-H892 PolarHBondContact O-N 3.13Å; A889-H892 WeakPolarHBondContact O-CB 3.44Å; A889-H892 PolarHBondContact O-N 2.9Å; L890-H892 VanDerWaalsContact C-N 3.32Å; L890-H892 PolarHBondContact O-N 3.34Å; H892-Q894 VanDerWaalsContact C-N 3.34Å; H892-R895 PolarHBondContact O-N 2.75Å; H892-Q896 PolarHBondContact CD2-NE2 2.86Å; H892-Q896 VanDerWaalsContact CD2-NE2 3.34Å; H892-Q896 PolarHBondContact NE2-NE2 3.16Å; H892-Q896 WeakPolarHBondContact O-CG 3.44Å; H892-Q896 PolarHBondContact O-N 3.31Å
893E87.4Confident87.2Confident90 Ų9074.2 Ų74.242%0.42136%0.364SS..Hα-helixtrans-60.8-43.3174.4-168.1-174.8151.400111.2N277 A889 L890 R895 Q896 L897N277-E893 VanDerWaalsContact ND2-CD 3.34Å; N277-E893 PolarHBondContact ND2-OE1 2.9Å; A889-E893 WeakPolarHBondContact O-CB 3.47Å; A889-E893 PolarHBondContact O-N 3.29Å; L890-E893 PolarHBondContact O-N 2.8Å; E893-R895 PolarHBondContact O-N 2.93Å; E893-Q896 WeakPolarHBondContact O-CB 3.33Å; E893-Q896 PolarHBondContact O-N 2.8Å; E893-Q896 VanDerWaalsContact O-N 3.15Å; E893-L897 HydrophobicContact CG-CD1 4.4Å; E893-L897 WeakPolarHBondContact O-CG 3.38Å; E893-L897 PolarHBondContact O-N 2.6Å
894Q85.4Confident87.2Confident15 Ų1576.6 Ų76.67%0.0737%0.374CS..Hα-helixtrans-60.7-43.7174.3-175.4-177.5-10.900111.7E281 L890 H892 Q896 L897 E898E281-Q894 PolarHBondContact OE2-OE1 3.44Å; L890-Q894 WeakPolarHBondContact O-CB 3.35Å; L890-Q894 PolarHBondContact O-N 2.84Å; H892-Q894 VanDerWaalsContact C-N 3.34Å; Q894-Q896 VanDerWaalsContact C-N 3.29Å; Q894-Q896 PolarHBondContact O-N 2.95Å; Q894-L897 PolarHBondContact O-N 3.35Å; Q894-E898 HydrophobicContact CG-CG 4.3Å; Q894-E898 PolarHBondContact NE2-OE1 3.06Å; Q894-E898 VanDerWaalsContact O-CB 3.32Å; Q894-E898 WeakPolarHBondContact O-CB 3.35Å; Q894-E898 VanDerWaalsContact O-CG 3.27Å; Q894-E898 WeakPolarHBondContact O-CG 2.88Å; Q894-E898 PolarHBondContact O-N 3.2Å
895R86.6Confident87.1Confident172 Ų17276.1 Ų76.165%0.64937%0.371SS*.Hα-helixtrans-62.5-36.7174.9-74.8175.2-170.2171.56.1112.3L891 H892 E893 S899L891-R895 VanDerWaalsContact O-CG 3.31Å; L891-R895 WeakPolarHBondContact O-CG 3.49Å; L891-R895 PolarHBondContact O-N 3.18Å; H892-R895 PolarHBondContact O-N 2.75Å; E893-R895 PolarHBondContact O-N 2.93Å; R895-S899 VanDerWaalsContact O-CB 3.32Å; R895-S899 WeakPolarHBondContact O-CB 3.4Å; R895-S899 PolarHBondContact O-N 2.85Å
896Q88.1Confident86.9Confident104 Ų10475.8 Ų75.849%0.48636%0.363SS..Hα-helixtrans-64.9-49.3174.2-70.8-1770.600110.7H892 E893 Q894 E898 S899 E900H892-Q896 PolarHBondContact CD2-NE2 2.86Å; H892-Q896 VanDerWaalsContact CD2-NE2 3.34Å; H892-Q896 PolarHBondContact NE2-NE2 3.16Å; H892-Q896 WeakPolarHBondContact O-CG 3.44Å; H892-Q896 PolarHBondContact O-N 3.31Å; E893-Q896 WeakPolarHBondContact O-CB 3.33Å; E893-Q896 PolarHBondContact O-N 2.8Å; E893-Q896 VanDerWaalsContact O-N 3.15Å; Q894-Q896 VanDerWaalsContact C-N 3.29Å; Q894-Q896 PolarHBondContact O-N 2.95Å; Q896-E898 VanDerWaalsContact C-N 3.34Å; Q896-E898 PolarHBondContact O-N 3.35Å; Q896-S899 PolarHBondContact O-N 3.36Å; Q896-E900 WeakPolarHBondContact O-CG 3.4Å; Q896-E900 PolarHBondContact O-N 2.84Å
897L88Confident86.8Confident21 Ų2172 Ų7211%0.1135%0.351CS..Hα-helixtrans-61.9-39.4176.5-70.1171000112.3L270 D273 N277 E893 Q894 E900 M901L270-L897 HydrophobicContact CD2-CD2 3.67Å; D273-L897 HydrophobicContact CB-CD1 4.17Å; D273-L897 HydrophobicContact CB-CD2 4.4Å; N277-L897 VanDerWaalsContact ND2-CD1 3.29Å; N277-L897 WeakPolarHBondContact ND2-CD1 3.21Å; E893-L897 HydrophobicContact CG-CD1 4.4Å; E893-L897 WeakPolarHBondContact O-CG 3.38Å; E893-L897 PolarHBondContact O-N 2.6Å; Q894-L897 PolarHBondContact O-N 3.35Å; L897-E900 PolarHBondContact O-N 2.9Å; L897-M901 WeakPolarHBondContact O-CB 3.37Å; L897-M901 PolarHBondContact O-N 3.37Å
898E85.7Confident86.6Confident72 Ų7274.4 Ų74.434%0.33636%0.362SS..Hα-helixtrans-63.9-42.9173.8-76.8178.2173.900111L274 R278 Q894 Q896 M901 E902L274-E898 HydrophobicContact CD1-CB 4.42Å; L274-E898 HydrophobicContact CD1-CG 3.31Å; R278-E898 IonicContact NH2-OE1 3.97Å; R278-E898 PolarHBondContact NH2-OE1 3.15Å; Q894-E898 HydrophobicContact CG-CG 4.3Å; Q894-E898 PolarHBondContact NE2-OE1 3.06Å; Q894-E898 VanDerWaalsContact O-CB 3.32Å; Q894-E898 WeakPolarHBondContact O-CB 3.35Å; Q894-E898 VanDerWaalsContact O-CG 3.27Å; Q894-E898 WeakPolarHBondContact O-CG 2.88Å; Q894-E898 PolarHBondContact O-N 3.2Å; Q896-E898 VanDerWaalsContact C-N 3.34Å; Q896-E898 PolarHBondContact O-N 3.35Å; E898-M901 PolarHBondContact O-N 3.32Å; E898-E902 VanDerWaalsContact O-CB 3.28Å; E898-E902 WeakPolarHBondContact O-CB 3.48Å; E898-E902 PolarHBondContact O-N 3.04Å
899S87.7Confident86.3Confident83 Ų8376.5 Ų76.558%0.5836%0.362SS*.Hα-helixtrans-66.4-38.9175.7-177.30000112.3R895 Q896 R903R895-S899 VanDerWaalsContact O-CB 3.32Å; R895-S899 WeakPolarHBondContact O-CB 3.4Å; R895-S899 PolarHBondContact O-N 2.85Å; Q896-S899 PolarHBondContact O-N 3.36Å; S899-R903 WeakPolarHBondContact O-CB 3.47Å; S899-R903 PolarHBondContact O-N 3.37Å
900E87.5Confident86Confident87 Ų8777.9 Ų77.941%0.40736%0.359SS..Hα-helixtrans-70.2-39.7176.4-72.5-160.4150.700111.7L270 Q896 L897 R903 K904L270-E900 HydrophobicContact CD1-CB 4.37Å; L270-E900 HydrophobicContact CD2-CB 4.43Å; Q896-E900 WeakPolarHBondContact O-CG 3.4Å; Q896-E900 PolarHBondContact O-N 2.84Å; L897-E900 PolarHBondContact O-N 2.9Å; E900-R903 PolarHBondContact O-N 2.91Å; E900-R903 IonicContact OE1-NH2 2.68Å; E900-K904 WeakPolarHBondContact O-CB 3.38Å; E900-K904 WeakPolarHBondContact O-CG 3.28Å; E900-K904 PolarHBondContact O-N 3.49Å
901M87Confident85.9Confident15 Ų1579.8 Ų79.87%0.07437%0.365CS..Hα-helixtrans-64.8-41.9173.5-174.6-169.3-53.900110.8L270 E271 L274 L897 E898 R903 K904 K905L270-M901 HydrophobicContact CB-CB 4.45Å; L270-M901 HydrophobicContact CB-CE 4.29Å; L270-M901 HydrophobicContact CD1-CB 4.37Å; E271-M901 HydrophobicContact CG-CE 4.08Å; E271-M901 HydrophobicContact CG-SD 4.2Å; L274-M901 HydrophobicContact CB-CE 3.85Å; L274-M901 HydrophobicContact CD1-CE 3.39Å; L274-M901 HydrophobicContact CG-CE 4.16Å; L897-M901 WeakPolarHBondContact O-CB 3.37Å; L897-M901 PolarHBondContact O-N 3.37Å; E898-M901 PolarHBondContact O-N 3.32Å; M901-R903 VanDerWaalsContact C-N 3.35Å; M901-K904 CarbonylContact O-C 3.51Å; M901-K904 PolarHBondContact O-N 3.22Å; M901-K905 HydrophobicContact CG-CD 4.06Å; M901-K905 HydrophobicContact CG-CG 4.34Å; M901-K905 VanDerWaalsContact O-CB 3.25Å; M901-K905 WeakPolarHBondContact O-CB 3.46Å; M901-K905 VanDerWaalsContact O-CG 3.29Å; M901-K905 WeakPolarHBondContact O-CG 3.46Å; M901-K905 PolarHBondContact O-N 3.35Å; M901-K905 HydrophobicContact SD-CD 4.47Å; M901-K905 PolarHBondContact SD-NZ 3.34Å; M901-K905 VanDerWaalsContact SD-NZ 3.38Å
902E85.5Confident85.7Confident122 Ų12279.5 Ų79.557%0.5737%0.37SS*.Hα-helixtrans-65.6-40.3176.2-167.762.5-159.800110.7E898 K904 K905 Q906E898-E902 VanDerWaalsContact O-CB 3.28Å; E898-E902 WeakPolarHBondContact O-CB 3.48Å; E898-E902 PolarHBondContact O-N 3.04Å; E902-K904 PolarHBondContact O-N 2.89Å; E902-K905 PolarHBondContact O-N 3.32Å; E902-Q906 VanDerWaalsContact O-CB 3.25Å; E902-Q906 WeakPolarHBondContact O-CB 3.36Å; E902-Q906 PolarHBondContact O-N 3.2Å
903R88.4Confident85.3Confident134 Ų13478.3 Ų78.351%0.50636%0.364SS..Hα-helixtrans-60.8-45.2171.9-176.5-176.763.4-174.3-7.2111.4S899 E900 M901 Q906 E907S899-R903 WeakPolarHBondContact O-CB 3.47Å; S899-R903 PolarHBondContact O-N 3.37Å; E900-R903 PolarHBondContact O-N 2.91Å; E900-R903 IonicContact OE1-NH2 2.68Å; M901-R903 VanDerWaalsContact C-N 3.35Å; R903-Q906 WeakPolarHBondContact O-CB 3.43Å; R903-Q906 PolarHBondContact O-N 2.91Å; R903-E907 WeakPolarHBondContact O-CG 3.31Å; R903-E907 PolarHBondContact O-N 3.39Å
904K86.8Confident85Confident56 Ų5681 Ų8124%0.24337%0.371CS..Hα-helixtrans-70.7-33.8178.5-75.2-70.9173.3-163.70112.8C263 I267 L270 E900 M901 E902 Q906 E907 E908C263-K904 PolarHBondContact SG-O 2.68Å; I267-K904 HydrophobicContact CD1-CB 4.4Å; I267-K904 HydrophobicContact CG1-CB 3.83Å; L270-K904 HydrophobicContact CD1-CB 4.38Å; L270-K904 HydrophobicContact CD1-CG 4.07Å; E900-K904 WeakPolarHBondContact O-CB 3.38Å; E900-K904 WeakPolarHBondContact O-CG 3.28Å; E900-K904 PolarHBondContact O-N 3.49Å; M901-K904 CarbonylContact O-C 3.51Å; M901-K904 PolarHBondContact O-N 3.22Å; E902-K904 PolarHBondContact O-N 2.89Å; K904-Q906 VanDerWaalsContact C-N 3.33Å; K904-E907 WeakPolarHBondContact CD-OE2 3.4Å; K904-E907 IonicContact NZ-OE1 3.87Å; K904-E907 IonicContact NZ-OE2 3.12Å; K904-E907 PolarHBondContact NZ-OE2 2.84Å; K904-E907 PolarHBondContact O-N 2.71Å; K904-E908 WeakPolarHBondContact O-CB 3.49Å; K904-E908 PolarHBondContact O-N 3.1Å
905K82.1Confident84.7Confident75 Ų7581.5 Ų81.533%0.32637%0.374SS..Hα-helixtrans-68.6-33.5170.4-80.1178.1175.31720111.4I267 M901 E902 K909I267-K905 HydrophobicContact CD1-CG 4.17Å; M901-K905 HydrophobicContact CG-CD 4.06Å; M901-K905 HydrophobicContact CG-CG 4.34Å; M901-K905 VanDerWaalsContact O-CB 3.25Å; M901-K905 WeakPolarHBondContact O-CB 3.46Å; M901-K905 VanDerWaalsContact O-CG 3.29Å; M901-K905 WeakPolarHBondContact O-CG 3.46Å; M901-K905 PolarHBondContact O-N 3.35Å; M901-K905 HydrophobicContact SD-CD 4.47Å; M901-K905 PolarHBondContact SD-NZ 3.34Å; M901-K905 VanDerWaalsContact SD-NZ 3.38Å; E902-K905 PolarHBondContact O-N 3.32Å; K905-K909 WeakPolarHBondContact O-CA 3.3Å; K905-K909 WeakPolarHBondContact O-CB 3.21Å; K905-K909 PolarHBondContact O-N 3.39Å
906Q84.6Confident84.2Confident77 Ų7778 Ų7836%0.3636%0.364SS..Hα-helixtrans-69.3-41.8171.9-174.859.629.500110.6E902 R903 K904 K909 E910E902-Q906 VanDerWaalsContact O-CB 3.25Å; E902-Q906 WeakPolarHBondContact O-CB 3.36Å; E902-Q906 PolarHBondContact O-N 3.2Å; R903-Q906 WeakPolarHBondContact O-CB 3.43Å; R903-Q906 PolarHBondContact O-N 2.91Å; K904-Q906 VanDerWaalsContact C-N 3.33Å; Q906-K909 CarbonylContact O-C 3.53Å; Q906-K909 PolarHBondContact O-N 2.88Å; Q906-E910 WeakPolarHBondContact O-CB 3.2Å; Q906-E910 VanDerWaalsContact O-CG 3.31Å; Q906-E910 WeakPolarHBondContact O-CG 3.34Å; Q906-E910 PolarHBondContact O-N 2.77Å
907E85.1Confident83.8Confident54 Ų5476.7 Ų76.725%0.25236%0.361SS..Hα-helixtrans-62.5-45.1170.5-73.3175.5-158.400111.8R903 K904 K909 E910 Y911R903-E907 WeakPolarHBondContact O-CG 3.31Å; R903-E907 PolarHBondContact O-N 3.39Å; K904-E907 WeakPolarHBondContact CD-OE2 3.4Å; K904-E907 IonicContact NZ-OE1 3.87Å; K904-E907 IonicContact NZ-OE2 3.12Å; K904-E907 PolarHBondContact NZ-OE2 2.84Å; K904-E907 PolarHBondContact O-N 2.71Å; E907-K909 VanDerWaalsContact C-N 3.29Å; E907-K909 PolarHBondContact O-N 2.84Å; E907-E910 CarbonylContact O-C 3.57Å; E907-E910 WeakPolarHBondContact O-CB 3.43Å; E907-E910 PolarHBondContact O-N 3.4Å; E907-Y911 HydrophobicContact CB-CE2 4.34Å; E907-Y911 WeakPolarHBondContact O-CD2 3.25Å; E907-Y911 PolarHBondContact O-N 3.33Å
908E83.2Confident83.2Confident77 Ų7777.2 Ų77.236%0.3636%0.364SS..Hα-helixtrans-61.7-40.2174.6-177.6-171.3-150.600110.3I267 K904 Y911 A912I267-E908 HydrophobicContact CD1-CB 3.66Å; I267-E908 HydrophobicContact CD1-CG 4.1Å; I267-E908 WeakPolarHBondContact CD1-OE2 3.48Å; K904-E908 WeakPolarHBondContact O-CB 3.49Å; K904-E908 PolarHBondContact O-N 3.1Å; E908-Y911 CarbonylContact O-C 3.17Å; E908-Y911 PolarHBondContact O-N 2.89Å; E908-A912 WeakPolarHBondContact O-CA 3.28Å; E908-A912 WeakPolarHBondContact O-CB 3.44Å; E908-A912 PolarHBondContact O-N 3.2Å
909K80.9Confident82.7Confident110 Ų11077.6 Ų77.648%0.47837%0.366SS..Hα-helixtrans-67.6-36.8174.6-174.7-178.5176-166.30111.1K905 Q906 E907 A912 E913K905-K909 WeakPolarHBondContact O-CA 3.3Å; K905-K909 WeakPolarHBondContact O-CB 3.21Å; K905-K909 PolarHBondContact O-N 3.39Å; Q906-K909 CarbonylContact O-C 3.53Å; Q906-K909 PolarHBondContact O-N 2.88Å; E907-K909 VanDerWaalsContact C-N 3.29Å; E907-K909 PolarHBondContact O-N 2.84Å; K909-A912 CarbonylContact O-C 3.57Å; K909-A912 PolarHBondContact O-N 3.35Å; K909-E913 WeakPolarHBondContact CE-OE1 3.43Å; K909-E913 HydrophobicContact CG-CG 4.29Å; K909-E913 IonicContact NZ-OE1 2.74Å; K909-E913 WeakPolarHBondContact O-CA 3.2Å; K909-E913 WeakPolarHBondContact O-CB 3.33Å; K909-E913 WeakPolarHBondContact O-CG 3.25Å; K909-E913 PolarHBondContact O-N 2.91Å
910E84.4Confident82Confident87 Ų8776.5 Ų76.541%0.40735%0.351SS..Hα-helixtrans-67.2-41.8172.8-77.2174.8-161.500111.2Q906 E907 E913 R914Q906-E910 WeakPolarHBondContact O-CB 3.2Å; Q906-E910 VanDerWaalsContact O-CG 3.31Å; Q906-E910 WeakPolarHBondContact O-CG 3.34Å; Q906-E910 PolarHBondContact O-N 2.77Å; E907-E910 CarbonylContact O-C 3.57Å; E907-E910 WeakPolarHBondContact O-CB 3.43Å; E907-E910 PolarHBondContact O-N 3.4Å; E910-E913 PolarHBondContact O-N 3.41Å; E910-R914 VanDerWaalsContact O-CB 3.3Å; E910-R914 WeakPolarHBondContact O-CB 3.5Å; E910-R914 VanDerWaalsContact O-CG 3.23Å; E910-R914 WeakPolarHBondContact O-CG 3.29Å; E910-R914 PolarHBondContact O-N 3.38Å
911Y84.9Confident81.3Confident66 Ų6675.2 Ų75.226%0.25935%0.348SS..Hα-helixtrans-68.3-37.2173.6-70.1-51.9000111.6I256 A259 C263 E907 E908 R914 I915I256-Y911 HydrophobicContact CG2-CD1 3.99Å; A259-Y911 HydrophobicContact CB-CD1 4.34Å; A259-Y911 HydrophobicContact CB-CE1 3.81Å; A259-Y911 HydrophobicContact CB-CE2 4.28Å; C263-Y911 HydrophobicContact CB-CD2 4.31Å; C263-Y911 HydrophobicContact CB-CE2 4.43Å; E907-Y911 HydrophobicContact CB-CE2 4.34Å; E907-Y911 WeakPolarHBondContact O-CD2 3.25Å; E907-Y911 PolarHBondContact O-N 3.33Å; E908-Y911 CarbonylContact O-C 3.17Å; E908-Y911 PolarHBondContact O-N 2.89Å; Y911-R914 PolarHBondContact O-N 3.06Å; Y911-I915 WeakPolarHBondContact O-CA 3.36Å; Y911-I915 WeakPolarHBondContact O-CB 3.49Å; Y911-I915 WeakPolarHBondContact O-CG1 3.48Å; Y911-I915 PolarHBondContact O-N 2.86Å
912A80.7Confident80.7Confident46 Ų4676 Ų7638%0.3835%0.351SS..Hα-helixtrans-72.5-34175.600000110.3E908 K909 I915 Q916E908-A912 WeakPolarHBondContact O-CA 3.28Å; E908-A912 WeakPolarHBondContact O-CB 3.44Å; E908-A912 PolarHBondContact O-N 3.2Å; K909-A912 CarbonylContact O-C 3.57Å; K909-A912 PolarHBondContact O-N 3.35Å; A912-I915 CarbonylContact O-C 3.58Å; A912-Q916 VanDerWaalsContact O-CA 3.23Å; A912-Q916 WeakPolarHBondContact O-CA 3.45Å; A912-Q916 WeakPolarHBondContact O-CB 3.26Å; A912-Q916 PolarHBondContact O-N 3.02Å
913E80.7Confident79.8Confident81 Ų8175.2 Ų75.238%0.37935%0.348SS..Hα-helixtrans-70.9-36.4172-83.4176.1-172.100110K909 E910 Q916 D917K909-E913 WeakPolarHBondContact CE-OE1 3.43Å; K909-E913 HydrophobicContact CG-CG 4.29Å; K909-E913 IonicContact NZ-OE1 2.74Å; K909-E913 WeakPolarHBondContact O-CA 3.2Å; K909-E913 WeakPolarHBondContact O-CB 3.33Å; K909-E913 WeakPolarHBondContact O-CG 3.25Å; K909-E913 PolarHBondContact O-N 2.91Å; E910-E913 PolarHBondContact O-N 3.41Å; E913-Q916 CarbonylContact O-C 3.58Å; E913-D917 VanDerWaalsContact O-CA 3.32Å; E913-D917 WeakPolarHBondContact O-CA 3.29Å; E913-D917 WeakPolarHBondContact O-CB 3.26Å; E913-D917 PolarHBondContact O-N 3.31Å
914R80.8Confident79Confident147 Ų14773.8 Ų73.856%0.55535%0.345SS*.Hα-helixtrans-72.3-43.4172.9-76.7177.5-179-169.64.9111.9I256 E910 Y911 Q916 D917 D918I256-R914 HydrophobicContact CD1-CB 4.38Å; I256-R914 HydrophobicContact CG2-CB 4.32Å; E910-R914 VanDerWaalsContact O-CB 3.3Å; E910-R914 WeakPolarHBondContact O-CB 3.5Å; E910-R914 VanDerWaalsContact O-CG 3.23Å; E910-R914 WeakPolarHBondContact O-CG 3.29Å; E910-R914 PolarHBondContact O-N 3.38Å; Y911-R914 PolarHBondContact O-N 3.06Å; R914-Q916 VanDerWaalsContact C-N 3.28Å; R914-D917 PolarHBondContact O-N 3.16Å; R914-D918 VanDerWaalsContact O-CB 3.32Å; R914-D918 WeakPolarHBondContact O-CB 3.5Å; R914-D918 PolarHBondContact O-N 3.32Å
915I81Confident78.3Confident25 Ų2572.9 Ų72.913%0.12834%0.342CS..Hα-helixtrans-66.4-36.8173-72.3167.1000108.9I256 R257 A260 Y911 A912 Q919I256-I915 HydrophobicContact CB-CG1 4.17Å; I256-I915 HydrophobicContact CG2-CD1 3.94Å; I256-I915 HydrophobicContact CG2-CG1 3.5Å; R257-I915 HydrophobicContact CG-CD1 4.27Å; A260-I915 HydrophobicContact CB-CD1 3.76Å; Y911-I915 WeakPolarHBondContact O-CA 3.36Å; Y911-I915 WeakPolarHBondContact O-CB 3.49Å; Y911-I915 WeakPolarHBondContact O-CG1 3.48Å; Y911-I915 PolarHBondContact O-N 2.86Å; A912-I915 CarbonylContact O-C 3.58Å; I915-Q919 HydrophobicContact CG2-CG 4.02Å; I915-Q919 VanDerWaalsContact O-CA 3.25Å; I915-Q919 WeakPolarHBondContact O-CA 3.16Å; I915-Q919 WeakPolarHBondContact O-CB 3.37Å; I915-Q919 WeakPolarHBondContact O-CG 3.39Å; I915-Q919 PolarHBondContact O-N 3Å
916Q75.3Confident77.8Confident98 Ų9874.5 Ų74.546%0.45835%0.351SS..Hα-helixtrans-76.4-27.5175.5-177.4-177.312.400110A912 E913 R914 Q919 Q920A912-Q916 VanDerWaalsContact O-CA 3.23Å; A912-Q916 WeakPolarHBondContact O-CA 3.45Å; A912-Q916 WeakPolarHBondContact O-CB 3.26Å; A912-Q916 PolarHBondContact O-N 3.02Å; E913-Q916 CarbonylContact O-C 3.58Å; R914-Q916 VanDerWaalsContact C-N 3.28Å; Q916-Q919 CarbonylContact O-C 3.36Å; Q916-Q920 HydrophobicContact CG-CG 3.93Å; Q916-Q920 WeakPolarHBondContact O-CA 3.19Å; Q916-Q920 WeakPolarHBondContact O-CB 3.45Å; Q916-Q920 WeakPolarHBondContact O-CG 3.35Å; Q916-Q920 PolarHBondContact O-N 3.3Å
917D79.4Confident76.7Confident78 Ų7872.8 Ų72.842%0.41735%0.348SS..Hα-helixtrans-78.7-42.2175.4-90.3-14.9000108.8E913 R914 Q920 N921E913-D917 VanDerWaalsContact O-CA 3.32Å; E913-D917 WeakPolarHBondContact O-CA 3.29Å; E913-D917 WeakPolarHBondContact O-CB 3.26Å; E913-D917 PolarHBondContact O-N 3.31Å; R914-D917 PolarHBondContact O-N 3.16Å; D917-Q920 CarbonylContact O-C 3.46Å; D917-Q920 PolarHBondContact O-N 3.39Å; D917-N921 WeakPolarHBondContact O-CA 3.48Å; D917-N921 WeakPolarHBondContact O-CB 3.33Å; D917-N921 PolarHBondContact O-N 3.08Å; D917-N921 PolarHBondContact O-ND2 3.19Å; D917-N921 PolarHBondContact O-OD1 3.13Å
918D76Confident76Confident31 Ų3175.3 Ų75.317%0.16636%0.358CS..Hα-helixtrans-70.1-36.4171.6-97-0.1000111S252 R914 N921 L922S252-D918 PolarHBondContact OG-OD2 2.87Å; R914-D918 VanDerWaalsContact O-CB 3.32Å; R914-D918 WeakPolarHBondContact O-CB 3.5Å; R914-D918 PolarHBondContact O-N 3.32Å; D918-N921 CarbonylContact O-C 3.51Å; D918-N921 PolarHBondContact O-N 3.06Å; D918-L922 WeakPolarHBondContact O-CA 3.24Å; D918-L922 WeakPolarHBondContact O-CB 3.38Å; D918-L922 WeakPolarHBondContact O-CG 3.25Å; D918-L922 PolarHBondContact O-N 3.48Å
919Q74.8Confident75.7Confident81 Ų8173 Ų7338%0.37935%0.347SS..Hα-helixtrans-73.1-33.4169.9-79.5174.4-15.900110.4I915 Q916 N921 L922 E923I915-Q919 HydrophobicContact CG2-CG 4.02Å; I915-Q919 VanDerWaalsContact O-CA 3.25Å; I915-Q919 WeakPolarHBondContact O-CA 3.16Å; I915-Q919 WeakPolarHBondContact O-CB 3.37Å; I915-Q919 WeakPolarHBondContact O-CG 3.39Å; I915-Q919 PolarHBondContact O-N 3Å; Q916-Q919 CarbonylContact O-C 3.36Å; Q919-N921 VanDerWaalsContact C-N 3.25Å; Q919-L922 CarbonylContact O-C 3.58Å; Q919-E923 WeakPolarHBondContact O-CA 3.45Å; Q919-E923 WeakPolarHBondContact O-CB 3.31Å; Q919-E923 WeakPolarHBondContact O-CG 3.44Å; Q919-E923 PolarHBondContact O-N 2.83Å
920Q72Confident74.7Confident59 Ų5969.4 Ų69.428%0.27634%0.335SS..Hα-helixtrans-76.5-20.9172.9-85.6178.132.900109Q916 D917 E923 K924Q916-Q920 HydrophobicContact CG-CG 3.93Å; Q916-Q920 WeakPolarHBondContact O-CA 3.19Å; Q916-Q920 WeakPolarHBondContact O-CB 3.45Å; Q916-Q920 WeakPolarHBondContact O-CG 3.35Å; Q916-Q920 PolarHBondContact O-N 3.3Å; D917-Q920 CarbonylContact O-C 3.46Å; D917-Q920 PolarHBondContact O-N 3.39Å; Q920-E923 CarbonylContact O-C 3.58Å; Q920-K924 VanDerWaalsContact C-N 3.35Å; Q920-K924 VanDerWaalsContact O-CA 3.23Å; Q920-K924 WeakPolarHBondContact O-CA 3.32Å; Q920-K924 WeakPolarHBondContact O-CB 3.38Å; Q920-K924 WeakPolarHBondContact O-CD 3.38Å; Q920-K924 WeakPolarHBondContact O-CE 3.34Å; Q920-K924 WeakPolarHBondContact O-CG 3.44Å; Q920-K924 PolarHBondContact O-N 3.22Å
921N72.8Confident73.8Confident61 Ų6170 Ų7033%0.32634%0.338SS..Hα-helixtrans-83.3-50.7173.3-73.7-25.8000106.3D917 D918 Q919 E923 K924 M925D917-N921 WeakPolarHBondContact O-CA 3.48Å; D917-N921 WeakPolarHBondContact O-CB 3.33Å; D917-N921 PolarHBondContact O-N 3.08Å; D917-N921 PolarHBondContact O-ND2 3.19Å; D917-N921 PolarHBondContact O-OD1 3.13Å; D918-N921 CarbonylContact O-C 3.51Å; D918-N921 PolarHBondContact O-N 3.06Å; Q919-N921 VanDerWaalsContact C-N 3.25Å; N921-E923 PolarHBondContact O-N 3.25Å; N921-K924 CarbonylContact O-C 3.58Å; N921-K924 WeakPolarHBondContact O-CA 3.49Å; N921-K924 PolarHBondContact O-N 2.86Å; N921-K924 PolarHBondContact OD1-NZ 2.97Å; N921-M925 WeakPolarHBondContact O-CA 3.19Å; N921-M925 WeakPolarHBondContact O-CB 3.26Å; N921-M925 WeakPolarHBondContact O-CG 3.47Å; N921-M925 PolarHBondContact O-N 3.06Å
922L75.8Confident73.1Confident30 Ų3067 Ų6716%0.15733%0.327CS..Hα-helixtrans-60.5-21.8168.8-84.6157.4000113.1R246 S249 D918 Q919 Q926R246-L922 HydrophobicContact CB-CD2 4.28Å; R246-L922 HydrophobicContact CG-CD2 3.56Å; S249-L922 WeakPolarHBondContact OG-CD1 3.34Å; S249-L922 WeakPolarHBondContact OG-CG 3.29Å; D918-L922 WeakPolarHBondContact O-CA 3.24Å; D918-L922 WeakPolarHBondContact O-CB 3.38Å; D918-L922 WeakPolarHBondContact O-CG 3.25Å; D918-L922 PolarHBondContact O-N 3.48Å; Q919-L922 CarbonylContact O-C 3.58Å; L922-Q926 VanDerWaalsContact O-CA 3.25Å; L922-Q926 WeakPolarHBondContact O-CA 3.35Å; L922-Q926 WeakPolarHBondContact O-CB 3.36Å; L922-Q926 PolarHBondContact O-N 2.96Å
923E65.8Low72.9Confident106 Ų10668.2 Ų68.250%0.49533%0.327SS..Hα-helixtrans-100.3-24.1172.5-76.1174.7174.700108.3Q919 Q920 N921 M925 S927Q919-E923 WeakPolarHBondContact O-CA 3.45Å; Q919-E923 WeakPolarHBondContact O-CB 3.31Å; Q919-E923 WeakPolarHBondContact O-CG 3.44Å; Q919-E923 PolarHBondContact O-N 2.83Å; Q920-E923 CarbonylContact O-C 3.58Å; N921-E923 PolarHBondContact O-N 3.25Å; E923-M925 PolarHBondContact O-N 3.49Å; E923-S927 CarbonylContact O-C 3.43Å; E923-S927 WeakPolarHBondContact O-CA 3.41Å; E923-S927 WeakPolarHBondContact O-CB 3.34Å; E923-S927 PolarHBondContact O-N 3.37Å; E923-S927 PolarHBondContact O-OG 3.22Å
924K72.2Confident71.8Confident104 Ų10469.1 Ų69.145%0.45233%0.329SS..Hα-helixtrans-70-21.5161.7-80.3154.8-155.5156.30107.7Q920 N921 K928Q920-K924 VanDerWaalsContact C-N 3.35Å; Q920-K924 VanDerWaalsContact O-CA 3.23Å; Q920-K924 WeakPolarHBondContact O-CA 3.32Å; Q920-K924 WeakPolarHBondContact O-CB 3.38Å; Q920-K924 WeakPolarHBondContact O-CD 3.38Å; Q920-K924 WeakPolarHBondContact O-CE 3.34Å; Q920-K924 WeakPolarHBondContact O-CG 3.44Å; Q920-K924 PolarHBondContact O-N 3.22Å; N921-K924 CarbonylContact O-C 3.58Å; N921-K924 WeakPolarHBondContact O-CA 3.49Å; N921-K924 PolarHBondContact O-N 2.86Å; N921-K924 PolarHBondContact OD1-NZ 2.97Å; K924-K928 WeakPolarHBondContact O-CA 3.31Å; K924-K928 WeakPolarHBondContact O-CB 3.47Å; K924-K928 PolarHBondContact O-N 2.75Å
925M71.2Confident71.2Confident37 Ų3764.2 Ų64.218%0.18231%0.312CS..Hα-helixtrans-90.6-58.1176.3-60.7-103.1-147.900106.5I242 R245 N921 E923 S927 K928 Q929I242-M925 HydrophobicContact CG2-CB 3.44Å; I242-M925 VanDerWaalsContact CG2-CB 3.44Å; I242-M925 HydrophobicContact CG2-CG 4.29Å; I242-M925 WeakPolarHBondContact CG2-O 3.36Å; I242-M925 HydrophobicContact CG2-SD 4.27Å; R245-M925 HydrophobicContact CB-CE 3.28Å; R245-M925 HydrophobicContact CB-SD 3.29Å; R245-M925 WeakPolarHBondContact CB-SD 3.32Å; R245-M925 WeakPolarHBondContact CD-SD 3.24Å; R245-M925 HydrophobicContact CG-CE 4.03Å; R245-M925 HydrophobicContact CG-SD 3.97Å; N921-M925 WeakPolarHBondContact O-CA 3.19Å; N921-M925 WeakPolarHBondContact O-CB 3.26Å; N921-M925 WeakPolarHBondContact O-CG 3.47Å; N921-M925 PolarHBondContact O-N 3.06Å; E923-M925 PolarHBondContact O-N 3.49Å; M925-S927 PolarHBondContact O-N 3.35Å; M925-K928 CarbonylContact O-C 3.57Å; M925-K928 PolarHBondContact O-N 3.43Å; M925-K928 VanDerWaalsContact O-N 3.12Å; M925-Q929 WeakPolarHBondContact O-CA 3.21Å; M925-Q929 WeakPolarHBondContact O-CB 3.34Å; M925-Q929 PolarHBondContact O-N 3.02Å
926Q72.5Confident70.9Confident110 Ų11066 Ų6651%0.51432%0.319SS..Hα-helixtrans-70.5-17178-170176.91.700112.5L922 S930L922-Q926 VanDerWaalsContact O-CA 3.25Å; L922-Q926 WeakPolarHBondContact O-CA 3.35Å; L922-Q926 WeakPolarHBondContact O-CB 3.36Å; L922-Q926 PolarHBondContact O-N 2.96Å; Q926-S930 VanDerWaalsContact C-N 3.34Å; Q926-S930 WeakPolarHBondContact O-CA 3.41Å; Q926-S930 WeakPolarHBondContact O-CB 3.48Å; Q926-S930 PolarHBondContact O-N 3.12Å
927S62.2Low70.6Confident40 Ų4066.1 Ų66.128%0.2832%0.319SS..Hα-helixtrans-105.3-12.1166.793.40000112E923 M925 Q931E923-S927 CarbonylContact O-C 3.43Å; E923-S927 WeakPolarHBondContact O-CA 3.41Å; E923-S927 WeakPolarHBondContact O-CB 3.34Å; E923-S927 PolarHBondContact O-N 3.37Å; E923-S927 PolarHBondContact O-OG 3.22Å; M925-S927 PolarHBondContact O-N 3.35Å; S927-Q931 VanDerWaalsContact C-N 3.32Å; S927-Q931 WeakPolarHBondContact O-CA 3.43Å; S927-Q931 WeakPolarHBondContact O-CB 3.39Å; S927-Q931 WeakPolarHBondContact O-CG 3.44Å; S927-Q931 PolarHBondContact O-N 2.96Å; S927-Q931 PolarHBondContact O-OE1 2.89Å; S927-Q931 PolarHBondContact OG-NE2 3.35Å
928K70.4Confident69.7Low108 Ų10865.4 Ų65.447%0.4731%0.314SS..Hα-helixtrans-73.7-47.1155.8-164.5170.8-174177.30105.7I242 K924 M925 S930 Q931 L932I242-K928 VanDerWaalsContact CD1-C 3.43Å; I242-K928 HydrophobicContact CD1-CB 3.55Å; I242-K928 HydrophobicContact CD1-CD 4.26Å; I242-K928 HydrophobicContact CD1-CG 3.66Å; K924-K928 WeakPolarHBondContact O-CA 3.31Å; K924-K928 WeakPolarHBondContact O-CB 3.47Å; K924-K928 PolarHBondContact O-N 2.75Å; M925-K928 CarbonylContact O-C 3.57Å; M925-K928 PolarHBondContact O-N 3.43Å; M925-K928 VanDerWaalsContact O-N 3.12Å; K928-S930 PolarHBondContact O-N 2.97Å; K928-Q931 CarbonylContact O-C 3.6Å; K928-Q931 PolarHBondContact O-N 3.46Å; K928-L932 HydrophobicContact CB-CD1 4.41Å; K928-L932 HydrophobicContact CG-CD1 3.76Å; K928-L932 HydrophobicContact CG-CG 4.45Å; K928-L932 WeakPolarHBondContact O-CA 3.07Å; K928-L932 WeakPolarHBondContact O-CB 3.44Å; K928-L932 WeakPolarHBondContact O-CD1 3.34Å; K928-L932 WeakPolarHBondContact O-CG 3.34Å; K928-L932 PolarHBondContact O-N 2.95Å
929Q75.1Confident69.3Low29 Ų2964 Ų6414%0.13631%0.306CS..Hα-helixtrans-59.2-47.8171.9-168.7-175.52800111.1L239 I242 M925 L932 L933L239-Q929 HydrophobicContact CD2-CB 4.27Å; L239-Q929 HydrophobicContact CD2-CG 3.62Å; L239-Q929 WeakPolarHBondContact CD2-O 3.41Å; I242-Q929 HydrophobicContact CB-CB 4.15Å; I242-Q929 HydrophobicContact CD1-CB 4Å; I242-Q929 HydrophobicContact CG2-CB 3.83Å; M925-Q929 WeakPolarHBondContact O-CA 3.21Å; M925-Q929 WeakPolarHBondContact O-CB 3.34Å; M925-Q929 PolarHBondContact O-N 3.02Å; Q929-L932 CarbonylContact O-C 3.14Å; Q929-L932 WeakPolarHBondContact O-CA 3.46Å; Q929-L932 PolarHBondContact O-N 3.2Å; Q929-L933 HydrophobicContact CG-CD1 4.42Å; Q929-L933 WeakPolarHBondContact O-CB 3.28Å; Q929-L933 WeakPolarHBondContact O-CG 3.4Å; Q929-L933 PolarHBondContact O-N 2.93Å
930S60.7Low69.1Low33 Ų3363.6 Ų63.623%0.23131%0.305CS..Hα-helixtrans-74.3-36.4175-171.60000110.5Q926 K928 L932 L933 K934Q926-S930 VanDerWaalsContact C-N 3.34Å; Q926-S930 WeakPolarHBondContact O-CA 3.41Å; Q926-S930 WeakPolarHBondContact O-CB 3.48Å; Q926-S930 PolarHBondContact O-N 3.12Å; K928-S930 PolarHBondContact O-N 2.97Å; S930-L932 PolarHBondContact O-N 3.2Å; S930-L932 VanDerWaalsContact O-N 3.11Å; S930-L933 CarbonylContact O-C 3.6Å; S930-L933 VanDerWaalsContact O-C 3.27Å; S930-L933 WeakPolarHBondContact O-CA 3.39Å; S930-L933 PolarHBondContact O-N 3.18Å; S930-K934 WeakPolarHBondContact O-CA 3.36Å; S930-K934 WeakPolarHBondContact O-CB 3.33Å; S930-K934 VanDerWaalsContact O-CG 3.23Å; S930-K934 WeakPolarHBondContact O-CG 3.4Å; S930-K934 PolarHBondContact O-N 3.36Å; S930-K934 VanDerWaalsContact OG-CD 3.25Å; S930-K934 WeakPolarHBondContact OG-CD 3.46Å; S930-K934 VanDerWaalsContact OG-CE 3.28Å; S930-K934 WeakPolarHBondContact OG-CE 3.5Å; S930-K934 WeakPolarHBondContact OG-CG 3.31Å
931Q66Low68.4Low99 Ų9965.2 Ų65.246%0.46331%0.311SS..Hα-helixtrans-60.1-21.9165.4-78.4153.617.100109S927 K928 K935S927-Q931 VanDerWaalsContact C-N 3.32Å; S927-Q931 WeakPolarHBondContact O-CA 3.43Å; S927-Q931 WeakPolarHBondContact O-CB 3.39Å; S927-Q931 WeakPolarHBondContact O-CG 3.44Å; S927-Q931 PolarHBondContact O-N 2.96Å; S927-Q931 PolarHBondContact O-OE1 2.89Å; S927-Q931 PolarHBondContact OG-NE2 3.35Å; K928-Q931 CarbonylContact O-C 3.6Å; K928-Q931 PolarHBondContact O-N 3.46Å; Q931-K935 WeakPolarHBondContact O-CA 3.46Å; Q931-K935 WeakPolarHBondContact O-CB 3.06Å; Q931-K935 PolarHBondContact O-N 3.01Å
932L70.5Confident68.1Low5 Ų564.4 Ų64.43%0.02631%0.305CS..Hα-helixtrans-95.3-22.6-179-62158.9000110.1T235 K238 L239 I242 K928 Q929 S930 K936T235-L932 VanDerWaalsContact CG2-C 3.43Å; T235-L932 HydrophobicContact CG2-CB 3.74Å; T235-L932 HydrophobicContact CG2-CD2 3.53Å; T235-L932 HydrophobicContact CG2-CG 4.13Å; T235-L932 WeakPolarHBondContact CG2-O 3.39Å; T235-L932 WeakPolarHBondContact O-CD2 3.49Å; K238-L932 HydrophobicContact CB-CD1 3.07Å; K238-L932 HydrophobicContact CB-CD2 3.55Å; K238-L932 HydrophobicContact CB-CG 3.87Å; K238-L932 HydrophobicContact CD-CD1 4.37Å; K238-L932 HydrophobicContact CD-CD2 3.49Å; K238-L932 VanDerWaalsContact CD-CD2 3.49Å; K238-L932 HydrophobicContact CG-CD1 4.32Å; K238-L932 HydrophobicContact CG-CD2 4.1Å; K238-L932 VanDerWaalsContact O-CD1 3.24Å; K238-L932 WeakPolarHBondContact O-CD1 3.37Å; L239-L932 HydrophobicContact CD1-CB 4.44Å; L239-L932 HydrophobicContact CD2-CB 3.47Å; L239-L932 VanDerWaalsContact CD2-CB 3.47Å; L239-L932 HydrophobicContact CG-CB 3.56Å; I242-L932 HydrophobicContact CD1-CD1 3.56Å; K928-L932 HydrophobicContact CB-CD1 4.41Å; K928-L932 HydrophobicContact CG-CD1 3.76Å; K928-L932 HydrophobicContact CG-CG 4.45Å; K928-L932 WeakPolarHBondContact O-CA 3.07Å; K928-L932 WeakPolarHBondContact O-CB 3.44Å; K928-L932 WeakPolarHBondContact O-CD1 3.34Å; K928-L932 WeakPolarHBondContact O-CG 3.34Å; K928-L932 PolarHBondContact O-N 2.95Å; Q929-L932 CarbonylContact O-C 3.14Å; Q929-L932 WeakPolarHBondContact O-CA 3.46Å; Q929-L932 PolarHBondContact O-N 3.2Å; S930-L932 PolarHBondContact O-N 3.2Å; S930-L932 VanDerWaalsContact O-N 3.11Å; L932-K936 WeakPolarHBondContact O-CB 3.42Å; L932-K936 PolarHBondContact O-N 3.4Å
933L76.6Confident67.6Low71 Ų7165.4 Ų65.437%0.37231%0.31SS..Hα-helixtrans-84.3-20165.2-70.1171.4000111.8L239 Q929 S930 K936 E937L239-L933 HydrophobicContact CD1-CD2 3.66Å; L239-L933 HydrophobicContact CD1-CG 4.17Å; L239-L933 HydrophobicContact CD2-CB 4.46Å; L239-L933 HydrophobicContact CD2-CD1 4.37Å; L239-L933 HydrophobicContact CD2-CD2 3.97Å; L239-L933 HydrophobicContact CD2-CG 3.56Å; Q929-L933 HydrophobicContact CG-CD1 4.42Å; Q929-L933 WeakPolarHBondContact O-CB 3.28Å; Q929-L933 WeakPolarHBondContact O-CG 3.4Å; Q929-L933 PolarHBondContact O-N 2.93Å; S930-L933 CarbonylContact O-C 3.6Å; S930-L933 VanDerWaalsContact O-C 3.27Å; S930-L933 WeakPolarHBondContact O-CA 3.39Å; S930-L933 PolarHBondContact O-N 3.18Å; L933-K936 HydrophobicContact CD2-CD 4.35Å; L933-K936 CarbonylContact O-C 3.58Å; L933-K936 WeakPolarHBondContact O-CB 3.17Å; L933-E937 WeakPolarHBondContact O-CA 3.3Å; L933-E937 WeakPolarHBondContact O-CB 3.45Å; L933-E937 PolarHBondContact O-N 2.89Å
934K56.7Low67.6Low100 Ų10068.4 Ų68.444%0.43532%0.316SS..Hα-helixtrans-106.3-54.4-174.1-77.9-178.4177176.10109.1S930 K936 E937 E938 N939S930-K934 WeakPolarHBondContact O-CA 3.36Å; S930-K934 WeakPolarHBondContact O-CB 3.33Å; S930-K934 VanDerWaalsContact O-CG 3.23Å; S930-K934 WeakPolarHBondContact O-CG 3.4Å; S930-K934 PolarHBondContact O-N 3.36Å; S930-K934 VanDerWaalsContact OG-CD 3.25Å; S930-K934 WeakPolarHBondContact OG-CD 3.46Å; S930-K934 VanDerWaalsContact OG-CE 3.28Å; S930-K934 WeakPolarHBondContact OG-CE 3.5Å; S930-K934 WeakPolarHBondContact OG-CG 3.31Å; K934-K936 CarbonylContact O-C 3.54Å; K934-K936 WeakPolarHBondContact O-CA 3.38Å; K934-K936 PolarHBondContact O-N 3.1Å; K934-E937 CarbonylContact O-C 3.55Å; K934-E937 WeakPolarHBondContact O-CA 3.26Å; K934-E937 PolarHBondContact O-N 2.8Å; K934-E938 VanDerWaalsContact C-N 3.34Å; K934-E938 HydrophobicContact CB-CG 3.88Å; K934-E938 CarbonylContact O-C 3.53Å; K934-E938 WeakPolarHBondContact O-CA 3.47Å; K934-E938 WeakPolarHBondContact O-CB 3.38Å; K934-E938 PolarHBondContact O-N 3.19Å; K934-N939 PolarHBondContact O-N 3.32Å; K934-N939 VanDerWaalsContact O-N 3.15Å
935K69.1Low67.2Low44 Ų4468 Ų6819%0.19132%0.319CS..Hα-helixtrans-53.3-12.2156.9-159.2-170.6-173.1-159.20111.1E231 E234 T235 Q931 N939E231-K935 HydrophobicContact CB-CG 4.47Å; E234-K935 IonicContact OE2-NZ 3.62Å; E234-K935 PolarHBondContact OE2-NZ 3.45Å; E234-K935 VanDerWaalsContact OE2-NZ 3.12Å; T235-K935 VanDerWaalsContact CG2-C 3.47Å; T235-K935 HydrophobicContact CG2-CB 3.53Å; T235-K935 HydrophobicContact CG2-CD 4.26Å; T235-K935 HydrophobicContact CG2-CG 4.12Å; T235-K935 VanDerWaalsContact OG1-CD 3.32Å; T235-K935 WeakPolarHBondContact OG1-CD 3.24Å; T235-K935 VanDerWaalsContact OG1-CG 3.23Å; T235-K935 WeakPolarHBondContact OG1-CG 3.21Å; T235-K935 PolarHBondContact OG1-O 2.93Å; Q931-K935 WeakPolarHBondContact O-CA 3.46Å; Q931-K935 WeakPolarHBondContact O-CB 3.06Å; Q931-K935 PolarHBondContact O-N 3.01Å; K935-N939 WeakPolarHBondContact CG-ND2 3.3Å; K935-N939 WeakPolarHBondContact O-CB 3.32Å; K935-N939 PolarHBondContact O-ND2 2.86Å
936K73.7Confident67Low63 Ų6366.6 Ų66.627%0.27431%0.312SS..Hα-helixtrans-85-55.1155.8173.3-165.8176.2-166.90111.9L232 T235 R236 L932 L933 K934 M940L232-K936 WeakPolarHBondContact CD1-O 3.46Å; T235-K936 HydrophobicContact CG2-CB 4.29Å; R236-K936 HydrophobicContact CG-CD 4.28Å; L932-K936 WeakPolarHBondContact O-CB 3.42Å; L932-K936 PolarHBondContact O-N 3.4Å; L933-K936 HydrophobicContact CD2-CD 4.35Å; L933-K936 CarbonylContact O-C 3.58Å; L933-K936 WeakPolarHBondContact O-CB 3.17Å; K934-K936 CarbonylContact O-C 3.54Å; K934-K936 WeakPolarHBondContact O-CA 3.38Å; K934-K936 PolarHBondContact O-N 3.1Å; K936-M940 HydrophobicContact CD-CE 4.38Å; K936-M940 HydrophobicContact CG-CE 3.6Å; K936-M940 WeakPolarHBondContact O-CE 3.12Å; K936-M940 WeakPolarHBondContact O-CG 3.36Å; K936-M940 PolarHBondContact O-N 2.75Å
937E68.2Low66.4Low99 Ų9963.5 Ų63.546%0.46331%0.31SS..Hα-helixtrans-77.3-45.8-178-176.4178.4-158.500115.9L933 K934 M940 K941L933-E937 WeakPolarHBondContact O-CA 3.3Å; L933-E937 WeakPolarHBondContact O-CB 3.45Å; L933-E937 PolarHBondContact O-N 2.89Å; K934-E937 CarbonylContact O-C 3.55Å; K934-E937 WeakPolarHBondContact O-CA 3.26Å; K934-E937 PolarHBondContact O-N 2.8Å; E937-M940 CarbonylContact O-C 3.22Å; E937-M940 VanDerWaalsContact O-CA 3.24Å; E937-M940 WeakPolarHBondContact O-CA 3.31Å; E937-M940 WeakPolarHBondContact O-CB 3.48Å; E937-M940 PolarHBondContact O-N 3.45Å; E937-M940 VanDerWaalsContact O-N 3.13Å; E937-K941 WeakPolarHBondContact O-CA 3.2Å; E937-K941 WeakPolarHBondContact O-CB 3.22Å; E937-K941 PolarHBondContact O-N 2.65Å
938E60.7Low66.3Low64 Ų6467.7 Ų67.730%0.29934%0.339SS..Hα-helixtrans-49-41.9148.1-64.5173.5-169.100116.8K934 M940 K941 K942K934-E938 VanDerWaalsContact C-N 3.34Å; K934-E938 HydrophobicContact CB-CG 3.88Å; K934-E938 CarbonylContact O-C 3.53Å; K934-E938 WeakPolarHBondContact O-CA 3.47Å; K934-E938 WeakPolarHBondContact O-CB 3.38Å; K934-E938 PolarHBondContact O-N 3.19Å; E938-M940 PolarHBondContact O-N 2.72Å; E938-K941 VanDerWaalsContact C-N 3.34Å; E938-K941 CarbonylContact O-C 3.55Å; E938-K941 PolarHBondContact O-N 3.3Å; E938-K942 HydrophobicContact CB-CD 3.72Å; E938-K942 HydrophobicContact CB-CG 3.89Å; E938-K942 VanDerWaalsContact O-CA 3.28Å; E938-K942 WeakPolarHBondContact O-CA 3.24Å; E938-K942 WeakPolarHBondContact O-CB 3.37Å; E938-K942 WeakPolarHBondContact O-CD 3.41Å; E938-K942 WeakPolarHBondContact O-CG 3.31Å; E938-K942 PolarHBondContact O-N 2.76Å; E938-K942 VanDerWaalsContact OE2-CE 3.27Å; E938-K942 WeakPolarHBondContact OE2-CE 3.49Å; E938-K942 IonicContact OE2-NZ 2.82Å; E938-K942 PolarHBondContact OE2-NZ 3.45Å
939N68.2Low65.7Low0 Ų063.7 Ų63.70%032%0.323CS..Hα-helixtrans-65.3-29.3171.5-71.8-26000109.3Y228 E231 L232 K934 K935 I943Y228-N939 VanDerWaalsContact O-CB 3.23Å; Y228-N939 WeakPolarHBondContact O-CB 3.46Å; Y228-N939 PolarHBondContact O-OD1 3.18Å; E231-N939 WeakPolarHBondContact CB-ND2 3.4Å; E231-N939 PolarHBondContact O-ND2 3.32Å; L232-N939 WeakPolarHBondContact CA-ND2 3.36Å; L232-N939 HydrophobicContact CB-CB 3.5Å; L232-N939 VanDerWaalsContact CB-CB 3.5Å; L232-N939 HydrophobicContact CD1-CB 3.76Å; L232-N939 HydrophobicContact CG-CB 3.82Å; L232-N939 PolarHBondContact N-ND2 2.78Å; K934-N939 PolarHBondContact O-N 3.32Å; K934-N939 VanDerWaalsContact O-N 3.15Å; K935-N939 WeakPolarHBondContact CG-ND2 3.3Å; K935-N939 WeakPolarHBondContact O-CB 3.32Å; K935-N939 PolarHBondContact O-ND2 2.86Å; N939-I943 WeakPolarHBondContact O-CB 3.32Å; N939-I943 WeakPolarHBondContact O-CD1 3.26Å; N939-I943 WeakPolarHBondContact O-CG1 3.32Å
940M70.4Confident64.9Low74 Ų7465.3 Ų65.337%0.36534%0.336SS..Hα-helixtrans-75.7-27.5165.4-67.9-174.8-97.900115L232 K936 E937 E938 R944L232-M940 HydrophobicContact CD1-CB 4.43Å; L232-M940 HydrophobicContact CD1-CG 3.45Å; L232-M940 VanDerWaalsContact CD1-CG 3.45Å; K936-M940 HydrophobicContact CD-CE 4.38Å; K936-M940 HydrophobicContact CG-CE 3.6Å; K936-M940 WeakPolarHBondContact O-CE 3.12Å; K936-M940 WeakPolarHBondContact O-CG 3.36Å; K936-M940 PolarHBondContact O-N 2.75Å; E937-M940 CarbonylContact O-C 3.22Å; E937-M940 VanDerWaalsContact O-CA 3.24Å; E937-M940 WeakPolarHBondContact O-CA 3.31Å; E937-M940 WeakPolarHBondContact O-CB 3.48Å; E937-M940 PolarHBondContact O-N 3.45Å; E937-M940 VanDerWaalsContact O-N 3.13Å; E938-M940 PolarHBondContact O-N 2.72Å; M940-R944 PolarHBondContact O-N 3.08Å
941K56.8Low64.8Low93 Ų9367.2 Ų67.240%0.40435%0.353SS..Hα-helixtrans-105.5-35.2-164.6-174-157.5177-149.10109.6E937 E938 I943 R944 D945E937-K941 WeakPolarHBondContact O-CA 3.2Å; E937-K941 WeakPolarHBondContact O-CB 3.22Å; E937-K941 PolarHBondContact O-N 2.65Å; E938-K941 VanDerWaalsContact C-N 3.34Å; E938-K941 CarbonylContact O-C 3.55Å; E938-K941 PolarHBondContact O-N 3.3Å; K941-I943 VanDerWaalsContact C-N 3.26Å; K941-I943 PolarHBondContact O-N 3.32Å; K941-R944 HydrophobicContact CG-CB 4.46Å; K941-R944 CarbonylContact O-C 3.58Å; K941-R944 WeakPolarHBondContact O-CA 3.09Å; K941-R944 WeakPolarHBondContact O-CB 3.48Å; K941-R944 PolarHBondContact O-N 3.5Å; K941-D945 WeakPolarHBondContact CD-OD2 3.28Å; K941-D945 WeakPolarHBondContact CE-OD1 3.3Å; K941-D945 WeakPolarHBondContact CE-OD2 3.41Å; K941-D945 WeakPolarHBondContact CG-OD2 3.32Å; K941-D945 IonicContact NZ-OD1 3.12Å; K941-D945 IonicContact NZ-OD2 2.71Å; K941-D945 PolarHBondContact NZ-OD2 3.42Å; K941-D945 WeakPolarHBondContact O-CA 3.44Å; K941-D945 WeakPolarHBondContact O-CB 3.4Å; K941-D945 PolarHBondContact O-N 3.32Å
942K67.9Low64.6Low44 Ų4469 Ų6919%0.19137%0.366CS..Hα-helixtrans-55.9-43.6157.8-61157.8156.5160.50110.5Y228 E938 R944 D945 L946Y228-K942 HydrophobicContact CD1-CB 4.48Å; Y228-K942 HydrophobicContact CD1-CD 3.46Å; Y228-K942 VanDerWaalsContact CD1-CD 3.46Å; Y228-K942 HydrophobicContact CD2-CB 3.12Å; Y228-K942 HydrophobicContact CD2-CD 3.66Å; Y228-K942 HydrophobicContact CD2-CG 3.85Å; Y228-K942 HydrophobicContact CE1-CD 3.44Å; Y228-K942 VanDerWaalsContact CE1-CD 3.44Å; Y228-K942 HydrophobicContact CE1-CG 4.41Å; Y228-K942 HydrophobicContact CE2-CB 3.33Å; Y228-K942 HydrophobicContact CE2-CD 3.61Å; Y228-K942 HydrophobicContact CE2-CG 3.68Å; Y228-K942 HydrophobicContact CG-CB 3.73Å; Y228-K942 HydrophobicContact CG-CD 3.55Å; Y228-K942 HydrophobicContact CG-CG 4.23Å; Y228-K942 VanDerWaalsContact CZ-CD 3.5Å; E938-K942 HydrophobicContact CB-CD 3.72Å; E938-K942 HydrophobicContact CB-CG 3.89Å; E938-K942 VanDerWaalsContact O-CA 3.28Å; E938-K942 WeakPolarHBondContact O-CA 3.24Å; E938-K942 WeakPolarHBondContact O-CB 3.37Å; E938-K942 WeakPolarHBondContact O-CD 3.41Å; E938-K942 WeakPolarHBondContact O-CG 3.31Å; E938-K942 PolarHBondContact O-N 2.76Å; E938-K942 VanDerWaalsContact OE2-CE 3.27Å; E938-K942 WeakPolarHBondContact OE2-CE 3.49Å; E938-K942 IonicContact OE2-NZ 2.82Å; E938-K942 PolarHBondContact OE2-NZ 3.45Å; K942-R944 PolarHBondContact O-N 3.46Å; K942-R944 VanDerWaalsContact O-N 3.12Å; K942-D945 PolarHBondContact O-N 3.2Å; K942-L946 VanDerWaalsContact O-CB 3.25Å; K942-L946 WeakPolarHBondContact O-CB 3.41Å; K942-L946 WeakPolarHBondContact O-CD1 3.19Å; K942-L946 WeakPolarHBondContact O-CG 3.25Å; K942-L946 PolarHBondContact O-N 3.32Å
943I63.7Low64Low51 Ų5169.7 Ų69.726%0.26237%0.371SS..Hα-helixtrans-54.3-32.4167.5-74.1175.7000111.9F225 D229 N939 K941F225-I943 HydrophobicContact CE2-CB 4.2Å; F225-I943 HydrophobicContact CE2-CG1 4.22Å; F225-I943 HydrophobicContact CE2-CG2 3.77Å; F225-I943 HydrophobicContact CZ-CG2 4.19Å; D229-I943 HydrophobicContact CB-CD1 3.98Å; N939-I943 WeakPolarHBondContact O-CB 3.32Å; N939-I943 WeakPolarHBondContact O-CD1 3.26Å; N939-I943 WeakPolarHBondContact O-CG1 3.32Å; K941-I943 VanDerWaalsContact C-N 3.26Å; K941-I943 PolarHBondContact O-N 3.32Å
944R67.1Low63.3Low169 Ų16969.2 Ų69.264%0.63837%0.366SS*.Hα-helixtrans-87-32.4178-152.9-174.1-61.3168.31.3115.3M940 K941 K942 G947M940-R944 PolarHBondContact O-N 3.08Å; K941-R944 HydrophobicContact CG-CB 4.46Å; K941-R944 CarbonylContact O-C 3.58Å; K941-R944 WeakPolarHBondContact O-CA 3.09Å; K941-R944 WeakPolarHBondContact O-CB 3.48Å; K941-R944 PolarHBondContact O-N 3.5Å; K942-R944 PolarHBondContact O-N 3.46Å; K942-R944 VanDerWaalsContact O-N 3.12Å; R944-G947 PolarHBondContact O-N 3.36Å
945D64.2Low63.8Low95 Ų9570.7 Ų70.751%0.50838%0.379SS..Hα-helixtrans-90.4-22.9-170.1-78.1-13.9000110.7K941 K942 G947K941-D945 WeakPolarHBondContact CD-OD2 3.28Å; K941-D945 WeakPolarHBondContact CE-OD1 3.3Å; K941-D945 WeakPolarHBondContact CE-OD2 3.41Å; K941-D945 WeakPolarHBondContact CG-OD2 3.32Å; K941-D945 IonicContact NZ-OD1 3.12Å; K941-D945 IonicContact NZ-OD2 2.71Å; K941-D945 PolarHBondContact NZ-OD2 3.42Å; K941-D945 WeakPolarHBondContact O-CA 3.44Å; K941-D945 WeakPolarHBondContact O-CB 3.4Å; K941-D945 PolarHBondContact O-N 3.32Å; K942-D945 PolarHBondContact O-N 3.2Å; D945-G947 PolarHBondContact O-N 3.06Å
946L65.9Low63.7Low8 Ų875.8 Ų75.84%0.04240%0.401CS..THydrogen-bonded Turntrans-58.8-13.1164.5-70.9170.7000112R221 E224 F225 Y228 K942 L949R221-L946 HydrophobicContact CB-CD2 3.86Å; R221-L946 HydrophobicContact CG-CD2 4.08Å; R221-L946 WeakPolarHBondContact O-CD2 3.23Å; E224-L946 HydrophobicContact CB-CD1 4.35Å; E224-L946 HydrophobicContact CB-CD2 3.9Å; F225-L946 HydrophobicContact CB-CD1 3.5Å; F225-L946 VanDerWaalsContact CB-CD1 3.5Å; F225-L946 HydrophobicContact CD2-CB 4.43Å; F225-L946 HydrophobicContact CD2-CD1 3.72Å; F225-L946 HydrophobicContact CG-CD1 4.07Å; Y228-L946 HydrophobicContact CD2-CD1 3.87Å; Y228-L946 HydrophobicContact CE2-CD1 4.07Å; K942-L946 VanDerWaalsContact O-CB 3.25Å; K942-L946 WeakPolarHBondContact O-CB 3.41Å; K942-L946 WeakPolarHBondContact O-CD1 3.19Å; K942-L946 WeakPolarHBondContact O-CG 3.25Å; K942-L946 PolarHBondContact O-N 3.32Å; L946-L949 HydrophobicContact CB-CD1 3.87Å
947G59.7Low63.6Low45 Ų4574.6 Ų74.646%0.46440%0.396SS..  trans73.2-170.7164.100000112.8R944 D945 L949R944-G947 PolarHBondContact O-N 3.36Å; D945-G947 PolarHBondContact O-N 3.06Å; G947-L949 PolarHBondContact O-N 3.27Å
948S60.2Low63.6Low128 Ų12877 Ų7790%0.89541%0.407SS*.SBendtrans-69.683.5172.1600000109.8
949L59Low64.2Low23 Ų2381.8 Ų81.812%0.1243%0.434CS..  trans-70.5132.2169.1-81.4151000108.7R221 A222 L946 G947 A951 F954R221-L949 HydrophobicContact CB-CD2 4.37Å; A222-L949 HydrophobicContact CB-CD2 4.34Å; L946-L949 HydrophobicContact CB-CD1 3.87Å; G947-L949 PolarHBondContact O-N 3.27Å; L949-A951 PolarHBondContact O-N 3.06Å; L949-F954 HydrophobicContact CB-CE1 3.93Å; L949-F954 HydrophobicContact CB-CE2 3.67Å; L949-F954 HydrophobicContact CB-CZ 3.26Å; L949-F954 HydrophobicContact CD1-CE1 3.62Å; L949-F954 HydrophobicContact CD1-CZ 3.78Å; L949-F954 HydrophobicContact CG-CE1 4.39Å; L949-F954 HydrophobicContact CG-CZ 4.15Å
950P57.5Low64.5Low63 Ų6385.9 Ų85.941%0.40945%0.452SS..  trans-54.9131.3175.6-22.431.4000110N952 T953P950-N952 PolarHBondContact O-N 3.12Å; P950-T953 WeakPolarHBondContact O-CB 3.47Å; P950-T953 PolarHBondContact O-N 3.37Å; P950-T953 PolarHBondContact O-OG1 3.41Å
951A58.9Low64.9Low73 Ų7386.8 Ų86.860%0.60346%0.458SS*.G310 helixtrans-49.8-32.4-175.700000113.1L949 T953L949-A951 PolarHBondContact O-N 3.06Å; A951-T953 PolarHBondContact O-N 2.9Å
952N61Low65.6Low137 Ų13784 Ų8473%0.73345%0.448SS*.G310 helixtrans-68.50.7-179.7-55.1-4.7000115P950P950-N952 PolarHBondContact O-N 3.12Å
953T59.5Low66.1Low19 Ų1990 Ų9012%0.11747%0.474CS..G310 helixtrans-106-17.9-172.6-17.60000114A222 P950 A951A222-T953 HydrophobicContact CB-CG2 4.16Å; P950-T953 WeakPolarHBondContact O-CB 3.47Å; P950-T953 PolarHBondContact O-N 3.37Å; P950-T953 PolarHBondContact O-OG1 3.41Å; A951-T953 PolarHBondContact O-N 2.9Å
954F61.1Low66.8Low61 Ų6192.3 Ų92.327%0.26848%0.483SS..THydrogen-bonded Turntrans-84.6-34.4-174.2-62.1-80.5000114.4F225 L949 K956 F957F225-F954 HydrophobicContact CD1-CD1 4.28Å; F225-F954 HydrophobicContact CD1-CE1 4.21Å; F225-F954 HydrophobicContact CD2-CE1 4.29Å; F225-F954 HydrophobicContact CE1-CE1 4.44Å; F225-F954 HydrophobicContact CG-CE1 4.14Å; L949-F954 HydrophobicContact CB-CE1 3.93Å; L949-F954 HydrophobicContact CB-CE2 3.67Å; L949-F954 HydrophobicContact CB-CZ 3.26Å; L949-F954 HydrophobicContact CD1-CE1 3.62Å; L949-F954 HydrophobicContact CD1-CZ 3.78Å; L949-F954 HydrophobicContact CG-CE1 4.39Å; L949-F954 HydrophobicContact CG-CZ 4.15Å; F954-K956 PolarHBondContact O-N 3.43Å; F954-K956 VanDerWaalsContact O-N 3.11Å; F954-F957 PolarHBondContact O-N 3.04Å
955D66.6Low67.3Low132 Ų13284.7 Ų84.771%0.70646%0.455SS*.THydrogen-bonded Turntrans-66.4-14.5-176.3-63.7-25.3000113.4F957D955-F957 PolarHBondContact O-N 3.37Å
956K67.5Low67.8Low150 Ų15084.1 Ų84.165%0.65245%0.448SS*.THydrogen-bonded Turntrans-77.3-13-176.8-67.6-178179.7179.30114.8F954F954-K956 PolarHBondContact O-N 3.43Å; F954-K956 VanDerWaalsContact O-N 3.11Å
957F71.5Confident68.5Low39 Ų3991 Ų9117%0.17148%0.478CS..SBendtrans-132-1.3-168.3-56.7-65.1000118A222 L223 T226 F954 D955 D959 L965 L968A222-F957 HydrophobicContact CB-CE2 4.15Å; L223-F957 HydrophobicContact CD2-CD1 3.68Å; L223-F957 HydrophobicContact CD2-CD2 4.21Å; L223-F957 HydrophobicContact CD2-CE1 3.79Å; L223-F957 HydrophobicContact CD2-CE2 4.3Å; L223-F957 HydrophobicContact CD2-CG 3.9Å; L223-F957 HydrophobicContact CD2-CZ 4.1Å; L223-F957 HydrophobicContact CG-CE1 4.41Å; L223-F957 HydrophobicContact CG-CE2 4.29Å; L223-F957 HydrophobicContact CG-CZ 4.24Å; T226-F957 HydrophobicContact CG2-CB 4.45Å; F954-F957 PolarHBondContact O-N 3.04Å; D955-F957 PolarHBondContact O-N 3.37Å; F957-D959 PolarHBondContact O-N 3.15Å; F957-L965 HydrophobicContact CB-CD2 4.16Å; F957-L968 HydrophobicContact CD1-CD1 3.84Å; F957-L968 HydrophobicContact CE1-CD1 3.82Å
958Q68.2Low69.6Low148 Ų14891.2 Ų91.269%0.69247%0.468SS*.THydrogen-bonded Turntrans-66.6-34.5-174.2-84.2-172.4-10.200115.8K960Q958-K960 PolarHBondContact O-N 2.9Å; Q958-K960 VanDerWaalsContact O-N 3.1Å
959D73.7Confident70.6Confident165 Ų16585.9 Ų85.988%0.88243%0.43SS*.THydrogen-bonded Turntrans-78.49.4-174.1-62.8-33.9000114.4F957F957-D959 PolarHBondContact O-N 3.15Å
960K74.3Confident71.7Confident86 Ų8688.4 Ų88.437%0.37444%0.443SS..  trans-104.4137.2-171.4-62.9-166.3-172-1510112.3Q958 Q964 L965 L968Q958-K960 PolarHBondContact O-N 2.9Å; Q958-K960 VanDerWaalsContact O-N 3.1Å; K960-Q964 VanDerWaalsContact CA-OE1 3.26Å; K960-Q964 HydrophobicContact CB-CB 3.85Å; K960-Q964 HydrophobicContact CD-CB 4.29Å; K960-Q964 HydrophobicContact CG-CB 4.37Å; K960-L965 HydrophobicContact CB-CD2 3.99Å; K960-L965 HydrophobicContact CB-CG 4.13Å; K960-L968 HydrophobicContact CD-CD1 3.78Å
961N78Confident72.9Confident93 Ų9391.2 Ų91.250%0.49745%0.449SS..  trans-71.3160174.7-169-2.6000111.2K963 Q964 L965N961-K963 PolarHBondContact O-N 3.35Å; N961-Q964 VanDerWaalsContact N-OE1 3.15Å; N961-Q964 WeakPolarHBondContact O-CA 3.19Å; N961-Q964 WeakPolarHBondContact O-CB 3.36Å; N961-Q964 PolarHBondContact O-N 3.49Å; N961-L965 PolarHBondContact O-N 3.25Å
962M72.8Confident74Confident36 Ų3687.9 Ų87.918%0.17742%0.421CS..Hα-helixtrans-47.7-40.2178.6-86.5-65.8-9400112.4I227 Q964 L965 F966I227-M962 HydrophobicContact CG1-SD 4.17Å; I227-M962 HydrophobicContact CG2-CE 4.09Å; I227-M962 HydrophobicContact CG2-SD 4.48Å; M962-Q964 PolarHBondContact O-N 2.79Å; M962-L965 PolarHBondContact O-N 3.42Å; M962-F966 HydrophobicContact CB-CD2 4.48Å; M962-F966 HydrophobicContact CB-CE2 4.42Å; M962-F966 HydrophobicContact CE-CD2 4.46Å; M962-F966 HydrophobicContact CE-CE2 3.41Å; M962-F966 VanDerWaalsContact CE-CE2 3.41Å; M962-F966 HydrophobicContact CE-CZ 3.67Å; M962-F966 WeakPolarHBondContact O-CD2 3.21Å; M962-F966 PolarHBondContact O-N 3.27Å; M962-F966 HydrophobicContact SD-CE2 4.14Å
963K77.1Confident74.8Confident169 Ų16983.9 Ų83.974%0.73540%0.4SS*.Hα-helixtrans-63.6-35.4176.2-69.7-173.2178.8-178.50114.1N961 K967N961-K963 PolarHBondContact O-N 3.35Å; K963-K967 WeakPolarHBondContact O-CG 3.49Å; K963-K967 PolarHBondContact O-N 3.23Å
964Q78.1Confident75.9Confident99 Ų9990.6 Ų90.646%0.46342%0.423SS..Hα-helixtrans-78.3-34.5177.9-74171.6-2600111.7K960 N961 M962 K967 L968K960-Q964 VanDerWaalsContact CA-OE1 3.26Å; K960-Q964 HydrophobicContact CB-CB 3.85Å; K960-Q964 HydrophobicContact CD-CB 4.29Å; K960-Q964 HydrophobicContact CG-CB 4.37Å; N961-Q964 VanDerWaalsContact N-OE1 3.15Å; N961-Q964 WeakPolarHBondContact O-CA 3.19Å; N961-Q964 WeakPolarHBondContact O-CB 3.36Å; N961-Q964 PolarHBondContact O-N 3.49Å; M962-Q964 PolarHBondContact O-N 2.79Å; Q964-K967 PolarHBondContact O-N 2.85Å; Q964-L968 PolarHBondContact O-N 3.22Å
965L77.9Confident76.8Confident10 Ų1089.3 Ų89.35%0.05242%0.418CS..Hα-helixtrans-65-47.7174.2-68.8175000111.4L223 T226 I227 F957 K960 N961 M962 K967 L968 L969L223-L965 HydrophobicContact CD2-CD2 4.42Å; T226-L965 WeakPolarHBondContact OG1-CD2 3.15Å; I227-L965 HydrophobicContact CD1-CB 4.14Å; I227-L965 HydrophobicContact CG1-CB 4Å; I227-L965 HydrophobicContact CG1-CD1 4.28Å; F957-L965 HydrophobicContact CB-CD2 4.16Å; K960-L965 HydrophobicContact CB-CD2 3.99Å; K960-L965 HydrophobicContact CB-CG 4.13Å; N961-L965 PolarHBondContact O-N 3.25Å; M962-L965 PolarHBondContact O-N 3.42Å; L965-K967 VanDerWaalsContact C-N 3.3Å; L965-K967 PolarHBondContact O-N 3.46Å; L965-L968 PolarHBondContact O-N 3.38Å; L965-L969 WeakPolarHBondContact O-CB 3.3Å; L965-L969 PolarHBondContact O-N 2.98Å
966F74.9Confident77.5Confident82 Ų8283.9 Ų83.936%0.3639%0.389SS..Hα-helixtrans-58.5-39.1173.4-77.9-60.4000112.5I227 M962 L968 L969 D970I227-F966 HydrophobicContact CD1-CD1 4.08Å; I227-F966 HydrophobicContact CD1-CE1 4.09Å; I227-F966 HydrophobicContact CG2-CE1 4.3Å; I227-F966 HydrophobicContact CG2-CZ 4.17Å; M962-F966 HydrophobicContact CB-CD2 4.48Å; M962-F966 HydrophobicContact CB-CE2 4.42Å; M962-F966 HydrophobicContact CE-CD2 4.46Å; M962-F966 HydrophobicContact CE-CE2 3.41Å; M962-F966 VanDerWaalsContact CE-CE2 3.41Å; M962-F966 HydrophobicContact CE-CZ 3.67Å; M962-F966 WeakPolarHBondContact O-CD2 3.21Å; M962-F966 PolarHBondContact O-N 3.27Å; M962-F966 HydrophobicContact SD-CE2 4.14Å; F966-L968 VanDerWaalsContact C-N 3.34Å; F966-L968 PolarHBondContact O-N 2.87Å; F966-L969 HydrophobicContact CD1-CD2 4.45Å; F966-L969 PolarHBondContact O-N 3.36Å; F966-D970 VanDerWaalsContact O-CB 3.31Å; F966-D970 WeakPolarHBondContact O-CB 3.04Å; F966-D970 PolarHBondContact O-N 3.21Å
967K82Confident78.1Confident152 Ų15284.3 Ų84.366%0.66139%0.391SS*.Hα-helixtrans-61.2-38.9177.5-84-175.6179.6-172.80113.8K963 Q964 L965 K971K963-K967 WeakPolarHBondContact O-CG 3.49Å; K963-K967 PolarHBondContact O-N 3.23Å; Q964-K967 PolarHBondContact O-N 2.85Å; L965-K967 VanDerWaalsContact C-N 3.3Å; L965-K967 PolarHBondContact O-N 3.46Å; K967-K971 PolarHBondContact O-N 3.38Å
968L81.5Confident78.4Confident51 Ų5190.9 Ų90.927%0.26741%0.414SS..Hα-helixtrans-75.6-39.8177.8-73.7166000111.1L223 F957 K960 Q964 L965 F966 D970 K971 A972L223-L968 HydrophobicContact CD1-CB 3.78Å; L223-L968 HydrophobicContact CD2-CB 3.59Å; L223-L968 HydrophobicContact CD2-CD1 4.11Å; L223-L968 HydrophobicContact CG-CB 4.35Å; F957-L968 HydrophobicContact CD1-CD1 3.84Å; F957-L968 HydrophobicContact CE1-CD1 3.82Å; K960-L968 HydrophobicContact CD-CD1 3.78Å; Q964-L968 PolarHBondContact O-N 3.22Å; L965-L968 PolarHBondContact O-N 3.38Å; F966-L968 VanDerWaalsContact C-N 3.34Å; F966-L968 PolarHBondContact O-N 2.87Å; L968-D970 VanDerWaalsContact C-N 3.26Å; L968-D970 PolarHBondContact O-N 3.22Å; L968-K971 WeakPolarHBondContact O-CB 3.39Å; L968-K971 PolarHBondContact O-N 3.35Å; L968-A972 PolarHBondContact O-N 3Å; L968-A972 VanDerWaalsContact O-N 3.14Å
969L81.2Confident79Confident16 Ų1686.2 Ų86.28%0.08439%0.391CS..Hα-helixtrans-61.3-38.8174.3-177.364.4000110.9R220 L223 E224 I227 L965 F966 K971 A972 N973R220-L969 HydrophobicContact CG-CD1 3.94Å; L223-L969 HydrophobicContact CB-CB 4.35Å; L223-L969 HydrophobicContact CB-CD1 4.15Å; E224-L969 HydrophobicContact CG-CD1 3.8Å; E224-L969 HydrophobicContact CG-CD2 4.33Å; I227-L969 HydrophobicContact CD1-CB 4.45Å; I227-L969 HydrophobicContact CD1-CD2 3.69Å; L965-L969 WeakPolarHBondContact O-CB 3.3Å; L965-L969 PolarHBondContact O-N 2.98Å; F966-L969 HydrophobicContact CD1-CD2 4.45Å; F966-L969 PolarHBondContact O-N 3.36Å; L969-K971 VanDerWaalsContact C-N 3.29Å; L969-K971 PolarHBondContact O-N 3.32Å; L969-A972 PolarHBondContact O-N 3.48Å; L969-N973 WeakPolarHBondContact O-CB 3.4Å; L969-N973 PolarHBondContact O-N 3.21Å
970D81.5Confident78.9Confident75 Ų7582.2 Ų82.240%0.40138%0.376SS..Hα-helixtrans-64.6-30.2173.7-79-21.9000113.2F966 L968 R974F966-D970 VanDerWaalsContact O-CB 3.31Å; F966-D970 WeakPolarHBondContact O-CB 3.04Å; F966-D970 PolarHBondContact O-N 3.21Å; L968-D970 VanDerWaalsContact C-N 3.26Å; L968-D970 PolarHBondContact O-N 3.22Å; D970-R974 VanDerWaalsContact O-CB 3.23Å; D970-R974 WeakPolarHBondContact O-CB 3.47Å; D970-R974 VanDerWaalsContact O-CG 3.23Å; D970-R974 WeakPolarHBondContact O-CG 3.37Å; D970-R974 PolarHBondContact O-N 3.02Å; D970-R974 PolarHBondContact O-NE 2.77Å; D970-R974 VanDerWaalsContact O-NE 3.08Å
971K83.8Confident78.9Confident123 Ų12386.6 Ų86.654%0.53540%0.397SS..Hα-helixtrans-69-48.4173.7-172.7-176176.4-172.70109.6K967 L968 L969 R974 E975K967-K971 PolarHBondContact O-N 3.38Å; L968-K971 WeakPolarHBondContact O-CB 3.39Å; L968-K971 PolarHBondContact O-N 3.35Å; L969-K971 VanDerWaalsContact C-N 3.29Å; L969-K971 PolarHBondContact O-N 3.32Å; K971-R974 WeakPolarHBondContact O-CB 3.5Å; K971-R974 PolarHBondContact O-N 3.49Å; K971-E975 PolarHBondContact O-N 2.93Å
972A81.3Confident78.9Confident3 Ų383 Ų833%0.02538%0.379CS..Hα-helixtrans-63.3-43.9178.200000112.4W216 R220 L968 L969 R974 E975 L976W216-A972 HydrophobicContact CE3-CB 4.42Å; R220-A972 HydrophobicContact CB-CB 4.37Å; L968-A972 PolarHBondContact O-N 3Å; L968-A972 VanDerWaalsContact O-N 3.14Å; L969-A972 PolarHBondContact O-N 3.48Å; A972-R974 VanDerWaalsContact C-N 3.32Å; A972-R974 PolarHBondContact O-N 2.94Å; A972-E975 PolarHBondContact O-N 3.32Å; A972-L976 PolarHBondContact O-N 3.21Å
973N77.6Confident79.1Confident52 Ų5283.2 Ų83.228%0.27838%0.38SS..Hα-helixtrans-65.6-32.1175.5-79.1-23.6000112.9L969 K977L969-N973 WeakPolarHBondContact O-CB 3.4Å; L969-N973 PolarHBondContact O-N 3.21Å; N973-K977 WeakPolarHBondContact O-CB 3.37Å; N973-K977 VanDerWaalsContact O-CG 3.3Å; N973-K977 WeakPolarHBondContact O-CG 3.39Å; N973-K977 PolarHBondContact O-N 3.13Å
974R82.6Confident79Confident161 Ų16183.2 Ų83.261%0.60838%0.38SS*.Hα-helixtrans-64.3-42.7174.9-92-179.3-94.2-170.9-11.6111.9D970 K971 A972 K977D970-R974 VanDerWaalsContact O-CB 3.23Å; D970-R974 WeakPolarHBondContact O-CB 3.47Å; D970-R974 VanDerWaalsContact O-CG 3.23Å; D970-R974 WeakPolarHBondContact O-CG 3.37Å; D970-R974 PolarHBondContact O-N 3.02Å; D970-R974 PolarHBondContact O-NE 2.77Å; D970-R974 VanDerWaalsContact O-NE 3.08Å; K971-R974 WeakPolarHBondContact O-CB 3.5Å; K971-R974 PolarHBondContact O-N 3.49Å; A972-R974 VanDerWaalsContact C-N 3.32Å; A972-R974 PolarHBondContact O-N 2.94Å; R974-K977 PolarHBondContact O-N 2.94Å
975E81.9Confident79.2Confident34 Ų3485.1 Ų85.116%0.15939%0.387CS..Hα-helixtrans-71.2-40.3177.7-62.1-65.5156.800111.1W216 K971 A972 K977 R978 Y979W216-E975 HydrophobicContact CB-CB 4.5Å; W216-E975 HydrophobicContact CD2-CB 3.35Å; W216-E975 HydrophobicContact CD2-CG 3.89Å; W216-E975 HydrophobicContact CE3-CB 3.84Å; W216-E975 HydrophobicContact CE3-CG 4.08Å; W216-E975 HydrophobicContact CG-CB 3.66Å; W216-E975 HydrophobicContact CH2-CB 4.32Å; W216-E975 HydrophobicContact CH2-CG 3.73Å; W216-E975 HydrophobicContact CZ2-CB 3.9Å; W216-E975 HydrophobicContact CZ2-CG 3.51Å; W216-E975 HydrophobicContact CZ3-CB 4.3Å; W216-E975 HydrophobicContact CZ3-CG 4.01Å; K971-E975 PolarHBondContact O-N 2.93Å; A972-E975 PolarHBondContact O-N 3.32Å; E975-K977 VanDerWaalsContact C-N 3.32Å; E975-K977 PolarHBondContact O-N 3.28Å; E975-R978 VanDerWaalsContact CD-NH1 3.31Å; E975-R978 WeakPolarHBondContact O-CB 3.43Å; E975-R978 PolarHBondContact O-N 3.07Å; E975-R978 VanDerWaalsContact O-N 3.13Å; E975-R978 IonicContact OE1-CZ 3.11Å; E975-R978 IonicContact OE1-NH1 3.3Å; E975-R978 PolarHBondContact OE1-NH1 2.69Å; E975-R978 VanDerWaalsContact OE1-NH1 3.13Å; E975-R978 IonicContact OE1-NH2 3.61Å; E975-R978 WeakPolarHBondContact OE2-CD 3.31Å; E975-R978 IonicContact OE2-CZ 2.75Å; E975-R978 IonicContact OE2-NE 3.55Å; E975-R978 IonicContact OE2-NH1 3.89Å; E975-R978 PolarHBondContact OE2-NH1 3.25Å; E975-Y979 VanDerWaalsContact O-CD2 3.26Å; E975-Y979 WeakPolarHBondContact O-CD2 3.44Å
976L80.9Confident79.2Confident18 Ų1884.7 Ų84.79%0.09439%0.385CS..Hα-helixtrans-61.2-35.7173.3-77.9168000113.7Y213 W216 D217 R220 A972 R978 Y979Y213-L976 HydrophobicContact CD2-CD2 3.84Å; Y213-L976 HydrophobicContact CE2-CD2 3.99Å; Y213-L976 HydrophobicContact CG-CD2 4.4Å; Y213-L976 WeakPolarHBondContact O-CD2 3.4Å; W216-L976 HydrophobicContact CB-CD2 3.75Å; W216-L976 HydrophobicContact CB-CG 3.7Å; D217-L976 HydrophobicContact CB-CD2 4.25Å; R220-L976 HydrophobicContact CB-CD1 3.99Å; R220-L976 HydrophobicContact CG-CD1 4.22Å; A972-L976 PolarHBondContact O-N 3.21Å; L976-R978 PolarHBondContact O-N 3.16Å; L976-Y979 CarbonylContact O-C 3.52Å; L976-Y979 PolarHBondContact O-N 2.71Å
977K79Confident79.4Confident158 Ų15885.7 Ų85.769%0.68739%0.393SS*.Hα-helixtrans-62.4-30.4175.9-83.4178.3179.3-174.80113.1N973 R974 E975 Y979 S980N973-K977 WeakPolarHBondContact O-CB 3.37Å; N973-K977 VanDerWaalsContact O-CG 3.3Å; N973-K977 WeakPolarHBondContact O-CG 3.39Å; N973-K977 PolarHBondContact O-N 3.13Å; R974-K977 PolarHBondContact O-N 2.94Å; E975-K977 VanDerWaalsContact C-N 3.32Å; E975-K977 PolarHBondContact O-N 3.28Å; K977-Y979 PolarHBondContact O-N 3.27Å; K977-S980 WeakPolarHBondContact O-CB 3.31Å; K977-S980 PolarHBondContact O-N 2.81Å; K977-S980 PolarHBondContact O-OG 2.85Å; K977-S980 VanDerWaalsContact O-OG 3.05Å
978R78.4Confident79.2Confident177 Ų17783.8 Ų83.867%0.66839%0.391SS*.Hα-helixtrans-61.9-26.6175-63.2-179.7172.8172.2-7.5111.7E975 L976E975-R978 VanDerWaalsContact CD-NH1 3.31Å; E975-R978 WeakPolarHBondContact O-CB 3.43Å; E975-R978 PolarHBondContact O-N 3.07Å; E975-R978 VanDerWaalsContact O-N 3.13Å; E975-R978 IonicContact OE1-CZ 3.11Å; E975-R978 IonicContact OE1-NH1 3.3Å; E975-R978 PolarHBondContact OE1-NH1 2.69Å; E975-R978 VanDerWaalsContact OE1-NH1 3.13Å; E975-R978 IonicContact OE1-NH2 3.61Å; E975-R978 WeakPolarHBondContact OE2-CD 3.31Å; E975-R978 IonicContact OE2-CZ 2.75Å; E975-R978 IonicContact OE2-NE 3.55Å; E975-R978 IonicContact OE2-NH1 3.89Å; E975-R978 PolarHBondContact OE2-NH1 3.25Å; L976-R978 PolarHBondContact O-N 3.16Å
979Y80Confident79.2Confident51 Ų5184.7 Ų84.720%0.239%0.393CS..THydrogen-bonded Turntrans-11135.4-177.9-54.3-65.2000112E209 E212 E975 L976 K977 V982E209-Y979 HydrophobicContact CB-CD1 4.06Å; E209-Y979 HydrophobicContact CG-CD1 4.37Å; E212-Y979 HydrophobicContact CB-CD1 4.42Å; E212-Y979 HydrophobicContact CB-CD2 4.19Å; E212-Y979 HydrophobicContact CB-CE1 3.88Å; E212-Y979 HydrophobicContact CB-CE2 3.61Å; E212-Y979 VanDerWaalsContact CB-CZ 3.42Å; E212-Y979 HydrophobicContact CG-CE1 4.45Å; E975-Y979 VanDerWaalsContact O-CD2 3.26Å; E975-Y979 WeakPolarHBondContact O-CD2 3.44Å; L976-Y979 CarbonylContact O-C 3.52Å; L976-Y979 PolarHBondContact O-N 2.71Å; K977-Y979 PolarHBondContact O-N 3.27Å; Y979-V982 VanDerWaalsContact O-CG2 3.24Å; Y979-V982 WeakPolarHBondContact O-CG2 3.48Å
980S71.6Confident79.3Confident81 Ų8187 Ų8757%0.56640%0.403SS*.THydrogen-bonded Turntrans-76.3-25.8-177.654.70000114.4K977K977-S980 WeakPolarHBondContact O-CB 3.31Å; K977-S980 PolarHBondContact O-N 2.81Å; K977-S980 PolarHBondContact O-OG 2.85Å; K977-S980 VanDerWaalsContact O-OG 3.05Å
981H74.9Confident79.3Confident177 Ų17787 Ų8782%0.81941%0.405SS*.THydrogen-bonded Turntrans-97.817.7-178.6-64.3-62.9000113.9N983H981-N983 PolarHBondContact O-N 2.86Å
982V77.6Confident79Confident19 Ų1984.6 Ų84.612%0.11540%0.404CS..  trans-67.4122-177175.80000110.8E209 L210 Y979 K984E209-V982 HydrophobicContact CB-CG1 4.45Å; E209-V982 HydrophobicContact CB-CG2 3.59Å; L210-V982 HydrophobicContact CB-CG1 3.6Å; L210-V982 HydrophobicContact CD1-CG1 3.66Å; L210-V982 HydrophobicContact CG-CG1 4.23Å; Y979-V982 VanDerWaalsContact O-CG2 3.24Å; Y979-V982 WeakPolarHBondContact O-CG2 3.48Å; V982-K984 PolarHBondContact O-N 2.84Å
983N77.9Confident79Confident39 Ų3987.7 Ų87.721%0.20942%0.418CS..  trans-68.2107.8174.5176.49.1000110.9E206 H981 K985 A986 Q989E206-N983 HydrophobicContact CB-CB 4.21Å; E206-N983 HydrophobicContact CG-CB 4.3Å; E206-N983 WeakPolarHBondContact OE2-CB 3.44Å; E206-N983 PolarHBondContact OE2-ND2 3.49Å; H981-N983 PolarHBondContact O-N 2.86Å; N983-K985 PolarHBondContact O-N 2.76Å; N983-K985 WeakPolarHBondContact OD1-CA 3.45Å; N983-K985 PolarHBondContact OD1-N 3.29Å; N983-A986 HydrophobicContact CB-CB 4.02Å; N983-A986 WeakPolarHBondContact O-CB 3.31Å; N983-A986 PolarHBondContact O-N 2.95Å; N983-A986 VanDerWaalsContact O-N 3.15Å; N983-A986 PolarHBondContact OD1-N 3.41Å; N983-Q989 PolarHBondContact ND2-OE1 3.24Å
984K75.4Confident79.2Confident169 Ų16987.1 Ų87.174%0.73542%0.418SS*.THydrogen-bonded Turntrans-68.3-18.1179.6-59.9-178.5-176.1177.10113.8V982V982-K984 PolarHBondContact O-N 2.84Å
985K81.1Confident79.2Confident140 Ų14084.8 Ų84.861%0.60941%0.414SS*.THydrogen-bonded Turntrans-98.22.9175.3-68.2-171.6177.1-175.30113N983 L987 D988 Q989N983-K985 PolarHBondContact O-N 2.76Å; N983-K985 WeakPolarHBondContact OD1-CA 3.45Å; N983-K985 PolarHBondContact OD1-N 3.29Å; K985-L987 PolarHBondContact O-N 3.3Å; K985-L987 VanDerWaalsContact O-N 3.13Å; K985-D988 PolarHBondContact O-N 3.17Å; K985-Q989 PolarHBondContact O-N 3.3Å
986A78.5Confident78.9Confident0 Ų088.2 Ų88.20%043%0.43CS..Hα-helixtrans-53.8-37.3-177.900000111.9E206 T207 N983 F990E206-A986 HydrophobicContact CB-CB 3.69Å; T207-A986 HydrophobicContact CG2-CB 3.85Å; N983-A986 HydrophobicContact CB-CB 4.02Å; N983-A986 WeakPolarHBondContact O-CB 3.31Å; N983-A986 PolarHBondContact O-N 2.95Å; N983-A986 VanDerWaalsContact O-N 3.15Å; N983-A986 PolarHBondContact OD1-N 3.41Å; A986-F990 WeakPolarHBondContact O-CB 3.47Å; A986-F990 PolarHBondContact O-N 2.9Å
987L78Confident79Confident103 Ų10389.5 Ų89.554%0.53944%0.435SS..Hα-helixtrans-61.9-47.9177.1-173.166000112.4K985 V991K985-L987 PolarHBondContact O-N 3.3Å; K985-L987 VanDerWaalsContact O-N 3.13Å; L987-V991 WeakPolarHBondContact O-CG2 3.44Å; L987-V991 PolarHBondContact O-N 3.45Å
988D79.8Confident79.3Confident113 Ų11386.9 Ų86.960%0.60443%0.425SS*.Hα-helixtrans-70.7-41.8-177-61.2-25.8000112K985 V991 S992K985-D988 PolarHBondContact O-N 3.17Å; D988-V991 PolarHBondContact O-N 2.86Å; D988-S992 PolarHBondContact O-N 3.05Å; D988-S992 VanDerWaalsContact O-N 3.1Å
989Q79.7Confident79.4Confident69 Ų6985.7 Ų85.732%0.32243%0.425SS..Hα-helixtrans-65.8-39.4177.5-72.5179.5-33.100112L203 N983 K985 V991 S992 H993L203-Q989 HydrophobicContact CD1-CB 4.1Å; L203-Q989 HydrophobicContact CD2-CB 3.87Å; N983-Q989 PolarHBondContact ND2-OE1 3.24Å; K985-Q989 PolarHBondContact O-N 3.3Å; Q989-V991 VanDerWaalsContact C-N 3.31Å; Q989-V991 PolarHBondContact O-N 3.06Å; Q989-S992 PolarHBondContact O-N 2.83Å; Q989-H993 PolarHBondContact O-CD2 3.17Å; Q989-H993 PolarHBondContact O-N 3.09Å; Q989-H993 VanDerWaalsContact O-N 3.1Å
990F83.8Confident79.4Confident65 Ų6586.5 Ų86.529%0.28543%0.432SS..Hα-helixtrans-60-43174.8-178.8-94.5000111.1L200 L203 E204 A986 S994L200-F990 HydrophobicContact CD2-CD2 4.29Å; L203-F990 HydrophobicContact CB-CB 4.36Å; L203-F990 HydrophobicContact CB-CD2 4.17Å; E204-F990 HydrophobicContact CB-CE2 4.04Å; E204-F990 HydrophobicContact CG-CE2 4.34Å; A986-F990 WeakPolarHBondContact O-CB 3.47Å; A986-F990 PolarHBondContact O-N 2.9Å; F990-S994 WeakPolarHBondContact O-CB 3.49Å; F990-S994 PolarHBondContact O-N 3.17Å; F990-S994 VanDerWaalsContact O-N 3.15Å; F990-S994 PolarHBondContact O-OG 3.41Å
991V82.2Confident80Confident75 Ų7585.4 Ų85.446%0.45542%0.42SS..Hα-helixtrans-63.5-50.6177.3173.30000111.5L987 D988 Q989 S994 E995L987-V991 WeakPolarHBondContact O-CG2 3.44Å; L987-V991 PolarHBondContact O-N 3.45Å; D988-V991 PolarHBondContact O-N 2.86Å; Q989-V991 VanDerWaalsContact C-N 3.31Å; Q989-V991 PolarHBondContact O-N 3.06Å; V991-S994 PolarHBondContact O-N 3.35Å; V991-E995 PolarHBondContact O-N 2.91Å
992S77.8Confident80.5Confident72 Ų7282.1 Ų82.150%0.50340%0.403SS..Hα-helixtrans-63.5-45.8-176.3-1740000113.9D988 Q989 S994 E995 E996D988-S992 PolarHBondContact O-N 3.05Å; D988-S992 VanDerWaalsContact O-N 3.1Å; Q989-S992 PolarHBondContact O-N 2.83Å; S992-S994 VanDerWaalsContact C-N 3.31Å; S992-E995 PolarHBondContact O-N 2.73Å; S992-E996 PolarHBondContact O-N 3.35Å
993H79.8Confident80.5Confident68 Ų6889.6 Ų89.632%0.31543%0.429SS..Hα-helixtrans-73.4-25.6-179.9-71.4-48000112.6L200 Q989 E996 K997L200-H993 HydrophobicContact CD2-CB 3.84Å; L200-H993 HydrophobicContact CG-CB 4.43Å; Q989-H993 PolarHBondContact O-CD2 3.17Å; Q989-H993 PolarHBondContact O-N 3.09Å; Q989-H993 VanDerWaalsContact O-N 3.1Å; H993-E996 IonicContact ND1-OE2 3.85Å; H993-K997 WeakPolarHBondContact O-CB 3.39Å; H993-K997 PolarHBondContact O-N 3.23Å
994S82.6Confident80.8Confident40 Ų4090.7 Ų90.728%0.2843%0.432SS..Hα-helixtrans-65.6-41.4173.2-650000111.5F990 V991 S992 E998F990-S994 WeakPolarHBondContact O-CB 3.49Å; F990-S994 PolarHBondContact O-N 3.17Å; F990-S994 VanDerWaalsContact O-N 3.15Å; F990-S994 PolarHBondContact O-OG 3.41Å; V991-S994 PolarHBondContact O-N 3.35Å; S992-S994 VanDerWaalsContact C-N 3.31Å; S994-E998 PolarHBondContact O-N 2.9Å; S994-E998 VanDerWaalsContact O-N 3.07Å
995E82.8Confident81.4Confident113 Ų11387.3 Ų87.353%0.52842%0.419SS..Hα-helixtrans-65.2-39.4176.4-70.8-176.7178.600112.8V991 S992 E998 K999V991-E995 PolarHBondContact O-N 2.91Å; S992-E995 PolarHBondContact O-N 2.73Å; E995-E998 PolarHBondContact O-N 3.49Å; E995-K999 PolarHBondContact O-N 3.42Å
996E75.2Confident81.6Confident105 Ų10586.9 Ų86.949%0.49142%0.419SS..Hα-helixtrans-67.6-43.8178-171.8172.1-159.300111.9S992 H993 E998 K999 L1000S992-E996 PolarHBondContact O-N 3.35Å; H993-E996 IonicContact ND1-OE2 3.85Å; E996-E998 VanDerWaalsContact C-N 3.28Å; E996-E998 PolarHBondContact O-N 3.22Å; E996-K999 PolarHBondContact O-N 3.08Å; E996-L1000 PolarHBondContact O-N 2.64Å; E996-L1000 VanDerWaalsContact O-N 3.15Å
997K83.9Confident81.8Confident45 Ų4591.5 Ų91.520%0.19644%0.443CS..Hα-helixtrans-56-43.9172.1178-179.9173.6177.60111.2I196 E197 L200 H993 K999 L1000 L1001I196-K997 HydrophobicContact CG2-CB 4.22Å; E197-K997 VanDerWaalsContact OE1-CE 3.3Å; E197-K997 WeakPolarHBondContact OE1-CE 3.44Å; E197-K997 IonicContact OE1-NZ 2.77Å; E197-K997 PolarHBondContact OE1-NZ 3.09Å; L200-K997 HydrophobicContact CD1-CB 4.09Å; L200-K997 HydrophobicContact CD1-CD 3.37Å; L200-K997 HydrophobicContact CD1-CG 4.31Å; H993-K997 WeakPolarHBondContact O-CB 3.39Å; H993-K997 PolarHBondContact O-N 3.23Å; K997-K999 VanDerWaalsContact C-N 3.34Å; K997-K999 PolarHBondContact O-N 3.36Å; K997-L1000 PolarHBondContact O-N 2.7Å; K997-L1001 HydrophobicContact CD-CD1 4.36Å; K997-L1001 HydrophobicContact CG-CD1 3.86Å; K997-L1001 HydrophobicContact CG-CG 4.33Å; K997-L1001 WeakPolarHBondContact O-CB 3.4Å; K997-L1001 WeakPolarHBondContact O-CG 3.16Å; K997-L1001 PolarHBondContact O-N 3.34Å
998E84.3Confident82.1Confident103 Ų10388.9 Ų88.948%0.48143%0.429SS..Hα-helixtrans-61.2-40.6179.9-162.8-167.5148.300112.1S994 E995 E996 K1002S994-E998 PolarHBondContact O-N 2.9Å; S994-E998 VanDerWaalsContact O-N 3.07Å; E995-E998 PolarHBondContact O-N 3.49Å; E996-E998 VanDerWaalsContact C-N 3.28Å; E996-E998 PolarHBondContact O-N 3.22Å; E998-K1002 WeakPolarHBondContact O-CG 3.17Å; E998-K1002 PolarHBondContact O-N 3.41Å; E998-K1002 VanDerWaalsContact O-N 3.1Å; E998-K1002 VanDerWaalsContact OE1-CE 3.31Å; E998-K1002 WeakPolarHBondContact OE1-CE 3.29Å; E998-K1002 IonicContact OE1-NZ 2.82Å; E998-K1002 PolarHBondContact OE1-NZ 2.77Å
999K80.3Confident82.5Confident153 Ų15390 Ų9067%0.66543%0.429SS*.Hα-helixtrans-66.1-43.9177.4-71.5175.8-176.6169.80112.7E995 E996 K997 K1002 R1003E995-K999 PolarHBondContact O-N 3.42Å; E996-K999 PolarHBondContact O-N 3.08Å; K997-K999 VanDerWaalsContact C-N 3.34Å; K997-K999 PolarHBondContact O-N 3.36Å; K999-K1002 PolarHBondContact O-N 3.37Å; K999-R1003 PolarHBondContact O-N 3.43Å
1000L79.9Confident82.8Confident67 Ų6788.3 Ų88.335%0.35143%0.43SS..Hα-helixtrans-69.1-38.5179.2-70.1173.5000111.9L193 I196 E996 K997 R1003 K1004L193-L1000 HydrophobicContact CD2-CB 3.97Å; I196-L1000 HydrophobicContact CD1-CD1 3.93Å; E996-L1000 PolarHBondContact O-N 2.64Å; E996-L1000 VanDerWaalsContact O-N 3.15Å; K997-L1000 PolarHBondContact O-N 2.7Å; L1000-R1003 PolarHBondContact O-N 2.64Å; L1000-K1004 PolarHBondContact O-N 3.07Å
1001L85.6Confident82.8Confident59 Ų5985.9 Ų85.931%0.30942%0.421SS..Hα-helixtrans-59.5-46173-83.3172000111.8K997 R1003 K1004 E1005K997-L1001 HydrophobicContact CD-CD1 4.36Å; K997-L1001 HydrophobicContact CG-CD1 3.86Å; K997-L1001 HydrophobicContact CG-CG 4.33Å; K997-L1001 WeakPolarHBondContact O-CB 3.4Å; K997-L1001 WeakPolarHBondContact O-CG 3.16Å; K997-L1001 PolarHBondContact O-N 3.34Å; L1001-R1003 VanDerWaalsContact C-N 3.31Å; L1001-R1003 PolarHBondContact O-N 3.16Å; L1001-K1004 PolarHBondContact O-N 3.33Å; L1001-E1005 WeakPolarHBondContact O-CG 3.35Å; L1001-E1005 PolarHBondContact O-N 3.32Å
1002K84.9Confident83Confident107 Ų10786.9 Ų86.947%0.46542%0.42SS..Hα-helixtrans-57.9-42.1175.8-75.5175-1741660112.5E998 K999 E1005 E1006E998-K1002 WeakPolarHBondContact O-CG 3.17Å; E998-K1002 PolarHBondContact O-N 3.41Å; E998-K1002 VanDerWaalsContact O-N 3.1Å; E998-K1002 VanDerWaalsContact OE1-CE 3.31Å; E998-K1002 WeakPolarHBondContact OE1-CE 3.29Å; E998-K1002 IonicContact OE1-NZ 2.82Å; E998-K1002 PolarHBondContact OE1-NZ 2.77Å; K999-K1002 PolarHBondContact O-N 3.37Å; K1002-E1005 PolarHBondContact O-N 3.12Å; K1002-E1006 WeakPolarHBondContact O-CG 3.44Å; K1002-E1006 PolarHBondContact O-N 3.4Å
1003R77.2Confident83.4Confident177 Ų17786 Ų8667%0.66842%0.418SS*.Hα-helixtrans-69.7-37.7179-131.6171-174.6169-0.8112.6K999 L1000 L1001 E1006 L1007K999-R1003 PolarHBondContact O-N 3.43Å; L1000-R1003 PolarHBondContact O-N 2.64Å; L1001-R1003 VanDerWaalsContact C-N 3.31Å; L1001-R1003 PolarHBondContact O-N 3.16Å; R1003-E1006 PolarHBondContact O-N 3.02Å; R1003-L1007 WeakPolarHBondContact O-CG 3.32Å; R1003-L1007 PolarHBondContact O-N 3.4Å
1004K84.4Confident83.6Confident61 Ų6187.2 Ų87.227%0.26543%0.426SS..Hα-helixtrans-62-47.2171.2-174.3-168.2179175.30110.2L193 L1000 L1001 E1006 L1007 D1008L193-K1004 HydrophobicContact CD1-CB 4.42Å; L193-K1004 HydrophobicContact CD1-CD 3.62Å; L193-K1004 HydrophobicContact CD1-CG 4.46Å; L1000-K1004 PolarHBondContact O-N 3.07Å; L1001-K1004 PolarHBondContact O-N 3.33Å; K1004-E1006 VanDerWaalsContact C-N 3.31Å; K1004-E1006 PolarHBondContact O-N 3.07Å; K1004-L1007 PolarHBondContact O-N 3.14Å; K1004-D1008 WeakPolarHBondContact O-CB 3.32Å; K1004-D1008 PolarHBondContact O-N 3.35Å
1005E86.8Confident83.7Confident99 Ų9988.8 Ų88.846%0.46343%0.427SS..Hα-helixtrans-59.7-39.5176.9-75.8179.6-165.100112.5L1001 K1002 D1008 K1009L1001-E1005 WeakPolarHBondContact O-CG 3.35Å; L1001-E1005 PolarHBondContact O-N 3.32Å; K1002-E1005 PolarHBondContact O-N 3.12Å; E1005-D1008 PolarHBondContact O-N 3.05Å; E1005-K1009 VanDerWaalsContact O-CB 3.3Å; E1005-K1009 WeakPolarHBondContact O-CB 3.45Å; E1005-K1009 WeakPolarHBondContact O-CD 3.11Å; E1005-K1009 WeakPolarHBondContact O-CG 3.16Å; E1005-K1009 PolarHBondContact O-N 3.33Å
1006E85.3Confident83.7Confident131 Ų13187.2 Ų87.261%0.61242%0.423SS*.Hα-helixtrans-63.5-44.6174.3-76.2173.9179.800112.4K1002 R1003 K1004 K1009 G1010K1002-E1006 WeakPolarHBondContact O-CG 3.44Å; K1002-E1006 PolarHBondContact O-N 3.4Å; R1003-E1006 PolarHBondContact O-N 3.02Å; K1004-E1006 VanDerWaalsContact C-N 3.31Å; K1004-E1006 PolarHBondContact O-N 3.07Å; E1006-K1009 PolarHBondContact O-N 3.35Å; E1006-G1010 PolarHBondContact O-N 3.4Å
1007L83.7Confident84.2Confident96 Ų9687 Ų8750%0.50343%0.425SS..Hα-helixtrans-65.9-39.6175.9-75.5169.7000112.1R1003 K1004 G1010 C1011R1003-L1007 WeakPolarHBondContact O-CG 3.32Å; R1003-L1007 PolarHBondContact O-N 3.4Å; K1004-L1007 PolarHBondContact O-N 3.14Å; L1007-G1010 PolarHBondContact O-N 3.34Å; L1007-C1011 VanDerWaalsContact O-CB 3.26Å; L1007-C1011 WeakPolarHBondContact O-CB 3.3Å; L1007-C1011 PolarHBondContact O-N 3.38Å
1008D85.1Confident84.2Confident48 Ų4886.8 Ų86.826%0.25743%0.425SS..Hα-helixtrans-66.3-42.5176.8-70.9-8.4000110.3R186 K1004 E1005 C1011 Q1012R186-D1008 IonicContact CZ-OD1 2.7Å; R186-D1008 VanDerWaalsContact CZ-OD1 3.23Å; R186-D1008 IonicContact NE-OD1 3.69Å; R186-D1008 PolarHBondContact NE-OD1 3.05Å; R186-D1008 VanDerWaalsContact NE-OD1 3.16Å; R186-D1008 IonicContact NH2-OD1 3.63Å; R186-D1008 PolarHBondContact NH2-OD1 3.37Å; K1004-D1008 WeakPolarHBondContact O-CB 3.32Å; K1004-D1008 PolarHBondContact O-N 3.35Å; E1005-D1008 PolarHBondContact O-N 3.05Å; D1008-C1011 PolarHBondContact O-N 3.32Å; D1008-Q1012 WeakPolarHBondContact O-CB 2.81Å; D1008-Q1012 PolarHBondContact O-N 3.42Å
1009K87.4Confident84.1Confident137 Ų13785.2 Ų85.260%0.59642%0.419SS*.Hα-helixtrans-62.6-43.4172.2-75.3168.5-172.4165.90111.9E1005 E1006 Q1012 A1013E1005-K1009 VanDerWaalsContact O-CB 3.3Å; E1005-K1009 WeakPolarHBondContact O-CB 3.45Å; E1005-K1009 WeakPolarHBondContact O-CD 3.11Å; E1005-K1009 WeakPolarHBondContact O-CG 3.16Å; E1005-K1009 PolarHBondContact O-N 3.33Å; E1006-K1009 PolarHBondContact O-N 3.35Å; K1009-Q1012 PolarHBondContact O-N 2.93Å; K1009-A1013 WeakPolarHBondContact O-CB 3.23Å; K1009-A1013 PolarHBondContact O-N 3.44Å
1010G86Confident84.3Confident33 Ų3380.3 Ų80.334%0.3441%0.407SS..Hα-helixtrans-64.5-42.8176.500000112.4E1006 L1007 A1013 I1014E1006-G1010 PolarHBondContact O-N 3.4Å; L1007-G1010 PolarHBondContact O-N 3.34Å; G1010-A1013 PolarHBondContact O-N 3.03Å; G1010-I1014 VanDerWaalsContact O-CG1 3.3Å; G1010-I1014 WeakPolarHBondContact O-CG1 3.47Å; G1010-I1014 PolarHBondContact O-N 3.43Å
1011C84.3Confident84.6Confident14 Ų1479.9 Ų79.910%0.09541%0.405CS..Hα-helixtrans-61.7-45.1173.71790000111.4F179 R186 L1007 D1008 I1014 K1015F179-C1011 VanDerWaalsContact CE2-SG 3.54Å; F179-C1011 WeakPolarHBondContact CZ-SG 3.14Å; R186-C1011 PolarHBondContact NH1-SG 3.38Å; L1007-C1011 VanDerWaalsContact O-CB 3.26Å; L1007-C1011 WeakPolarHBondContact O-CB 3.3Å; L1007-C1011 PolarHBondContact O-N 3.38Å; D1008-C1011 PolarHBondContact O-N 3.32Å; C1011-I1014 PolarHBondContact O-N 3.07Å; C1011-K1015 WeakPolarHBondContact O-CG 3.06Å; C1011-K1015 PolarHBondContact O-N 2.69Å
1012Q85.6Confident84.4Confident96 Ų9678.1 Ų78.145%0.44940%0.396SS..Hα-helixtrans-63.7-43.5177.3-171.36033.800110.5D1008 K1009 I1014 K1015 D1016D1008-Q1012 WeakPolarHBondContact O-CB 2.81Å; D1008-Q1012 PolarHBondContact O-N 3.42Å; K1009-Q1012 PolarHBondContact O-N 2.93Å; Q1012-I1014 VanDerWaalsContact C-N 3.3Å; Q1012-I1014 PolarHBondContact O-N 3.22Å; Q1012-K1015 CarbonylContact O-C 3.57Å; Q1012-K1015 PolarHBondContact O-N 3.41Å; Q1012-K1015 VanDerWaalsContact O-N 3.13Å; Q1012-D1016 PolarHBondContact NE2-OD1 3.39Å; Q1012-D1016 WeakPolarHBondContact O-CB 3.42Å; Q1012-D1016 PolarHBondContact O-N 3.1Å
1013A86.4Confident84.3Confident55 Ų5576.5 Ų76.546%0.45539%0.39SS..Hα-helixtrans-60.4-37.8175.700000112.6K1009 G1010 L1017K1009-A1013 WeakPolarHBondContact O-CB 3.23Å; K1009-A1013 PolarHBondContact O-N 3.44Å; G1010-A1013 PolarHBondContact O-N 3.03Å; A1013-L1017 WeakPolarHBondContact O-CB 3.25Å; A1013-L1017 PolarHBondContact O-N 3.46Å
1014I84.7Confident84.7Confident92 Ų9273.8 Ų73.847%0.47239%0.385SS..Hα-helixtrans-68.9-42.7174.1-67.7165.9000110.9G1010 C1011 Q1012 L1017 M1018G1010-I1014 VanDerWaalsContact O-CG1 3.3Å; G1010-I1014 WeakPolarHBondContact O-CG1 3.47Å; G1010-I1014 PolarHBondContact O-N 3.43Å; C1011-I1014 PolarHBondContact O-N 3.07Å; Q1012-I1014 VanDerWaalsContact C-N 3.3Å; Q1012-I1014 PolarHBondContact O-N 3.22Å; I1014-L1017 PolarHBondContact O-N 3.23Å; I1014-M1018 HydrophobicContact CG2-SD 4.42Å; I1014-M1018 WeakPolarHBondContact O-CB 3.24Å; I1014-M1018 WeakPolarHBondContact O-CG 3.39Å; I1014-M1018 PolarHBondContact O-N 2.68Å
1015K83.3Confident84.7Confident73 Ų7371.6 Ų71.632%0.31738%0.375SS..Hα-helixtrans-62-44.1174.8-75.1-173.3-176.9-173.90111.3F179 C1011 Q1012 L1017 M1018 N1019F179-K1015 HydrophobicContact CE2-CG 4.45Å; F179-K1015 HydrophobicContact CZ-CD 4.45Å; F179-K1015 HydrophobicContact CZ-CG 4.35Å; C1011-K1015 WeakPolarHBondContact O-CG 3.06Å; C1011-K1015 PolarHBondContact O-N 2.69Å; Q1012-K1015 CarbonylContact O-C 3.57Å; Q1012-K1015 PolarHBondContact O-N 3.41Å; Q1012-K1015 VanDerWaalsContact O-N 3.13Å; K1015-L1017 VanDerWaalsContact C-N 3.35Å; K1015-M1018 PolarHBondContact O-N 2.93Å; K1015-N1019 VanDerWaalsContact O-CB 3.26Å; K1015-N1019 WeakPolarHBondContact O-CB 3.04Å; K1015-N1019 PolarHBondContact O-N 3.2Å; K1015-N1019 PolarHBondContact O-ND2 3.26Å
1016D84.5Confident84.5Confident80 Ų8068.3 Ų68.343%0.42836%0.359SS..Hα-helixtrans-64.1-41.1176.8-66.8-17.6000110.8Q1012 N1019 A1020Q1012-D1016 PolarHBondContact NE2-OD1 3.39Å; Q1012-D1016 WeakPolarHBondContact O-CB 3.42Å; Q1012-D1016 PolarHBondContact O-N 3.1Å; D1016-N1019 PolarHBondContact O-N 2.99Å; D1016-A1020 VanDerWaalsContact O-CB 3.24Å; D1016-A1020 WeakPolarHBondContact O-CB 2.93Å; D1016-A1020 PolarHBondContact O-N 2.93Å
1017L85Confident84.5Confident102 Ų10267.1 Ų67.153%0.53435%0.353SS..Hα-helixtrans-64.7-44173.5-179.664000111.6A1013 I1014 K1015 N1019 A1020 L1021A1013-L1017 WeakPolarHBondContact O-CB 3.25Å; A1013-L1017 PolarHBondContact O-N 3.46Å; I1014-L1017 PolarHBondContact O-N 3.23Å; K1015-L1017 VanDerWaalsContact C-N 3.35Å; L1017-N1019 VanDerWaalsContact C-N 3.34Å; L1017-N1019 PolarHBondContact O-N 3.39Å; L1017-A1020 PolarHBondContact O-N 3.45Å; L1017-L1021 HydrophobicContact CD1-CD1 4.14Å; L1017-L1021 HydrophobicContact CD1-CG 4.22Å; L1017-L1021 HydrophobicContact CG-CD1 3.95Å; L1017-L1021 HydrophobicContact CG-CG 4.43Å; L1017-L1021 WeakPolarHBondContact O-CB 3.2Å; L1017-L1021 WeakPolarHBondContact O-CG 3.33Å; L1017-L1021 PolarHBondContact O-N 3.32Å
1018M83.3Confident84.6Confident39 Ų3964.2 Ų64.219%0.19234%0.343CS..Hα-helixtrans-60.6-44.7174.8-78.3-177.775.100111.1Y168 K172 K176 I1014 K1015 L1021 D1022Y168-M1018 PolarHBondContact OH-O 3.44Å; K172-M1018 HydrophobicContact CD-CE 4.47Å; K172-M1018 HydrophobicContact CG-CE 3.88Å; K176-M1018 HydrophobicContact CG-CE 4.37Å; I1014-M1018 HydrophobicContact CG2-SD 4.42Å; I1014-M1018 WeakPolarHBondContact O-CB 3.24Å; I1014-M1018 WeakPolarHBondContact O-CG 3.39Å; I1014-M1018 PolarHBondContact O-N 2.68Å; K1015-M1018 PolarHBondContact O-N 2.93Å; M1018-L1021 PolarHBondContact O-N 3.29Å; M1018-D1022 WeakPolarHBondContact O-CB 3.09Å; M1018-D1022 PolarHBondContact O-N 3.47Å
1019N83.4Confident84.7Confident70 Ų7061.9 Ų61.937%0.37433%0.331SS..Hα-helixtrans-63.4-42.6176.3-77.4-20.4000111.9K1015 D1016 L1017 D1022 H1023 I1080K1015-N1019 VanDerWaalsContact O-CB 3.26Å; K1015-N1019 WeakPolarHBondContact O-CB 3.04Å; K1015-N1019 PolarHBondContact O-N 3.2Å; K1015-N1019 PolarHBondContact O-ND2 3.26Å; D1016-N1019 PolarHBondContact O-N 2.99Å; L1017-N1019 VanDerWaalsContact C-N 3.34Å; L1017-N1019 PolarHBondContact O-N 3.39Å; N1019-D1022 PolarHBondContact O-N 2.92Å; N1019-H1023 VanDerWaalsContact O-CB 3.3Å; N1019-H1023 WeakPolarHBondContact O-CB 3.16Å; N1019-H1023 PolarHBondContact O-N 3.23Å; N1019-I1080 HydrophobicContact CB-CD1 3.56Å
1020A84.6Confident84.6Confident50 Ų5059.4 Ų59.441%0.41332%0.321SS..Hα-helixtrans-64.7-41175.500000111.5D1016 L1017 H1023 Q1024D1016-A1020 VanDerWaalsContact O-CB 3.24Å; D1016-A1020 WeakPolarHBondContact O-CB 2.93Å; D1016-A1020 PolarHBondContact O-N 2.93Å; L1017-A1020 PolarHBondContact O-N 3.45Å; A1020-H1023 PolarHBondContact O-N 3.13Å; A1020-Q1024 WeakPolarHBondContact O-CB 3.43Å; A1020-Q1024 WeakPolarHBondContact O-CG 3.11Å; A1020-Q1024 PolarHBondContact O-N 3.3Å
1021L85.1Confident84.7Confident59 Ų5962.6 Ų62.631%0.30933%0.33SS..Hα-helixtrans-69.9-37.2175.7-70.9171.2000112.1Y168 L1017 M1018 H1023 Q1024 K1025Y168-L1021 HydrophobicContact CE2-CB 3.56Å; Y168-L1021 HydrophobicContact CE2-CD1 3.84Å; Y168-L1021 HydrophobicContact CE2-CG 4.21Å; Y168-L1021 WeakPolarHBondContact OH-CB 3.43Å; L1017-L1021 HydrophobicContact CD1-CD1 4.14Å; L1017-L1021 HydrophobicContact CD1-CG 4.22Å; L1017-L1021 HydrophobicContact CG-CD1 3.95Å; L1017-L1021 HydrophobicContact CG-CG 4.43Å; L1017-L1021 WeakPolarHBondContact O-CB 3.2Å; L1017-L1021 WeakPolarHBondContact O-CG 3.33Å; L1017-L1021 PolarHBondContact O-N 3.32Å; M1018-L1021 PolarHBondContact O-N 3.29Å; L1021-H1023 VanDerWaalsContact C-N 3.33Å; L1021-Q1024 PolarHBondContact O-N 2.87Å; L1021-K1025 VanDerWaalsContact O-CB 3.3Å; L1021-K1025 WeakPolarHBondContact O-CB 3.42Å; L1021-K1025 PolarHBondContact O-N 2.77Å
1022D82.6Confident84.8Confident22 Ų2262.6 Ų62.612%0.11833%0.33CS..Hα-helixtrans-67.7-35.2172.4-85.6-39000111.5Y168 K172 M1018 N1019 K1025 Y1026Y168-D1022 PolarHBondContact OH-OD1 2.79Å; K172-D1022 WeakPolarHBondContact CE-OD2 3.45Å; K172-D1022 IonicContact NZ-OD1 3.5Å; K172-D1022 PolarHBondContact NZ-OD1 3.29Å; K172-D1022 IonicContact NZ-OD2 3.01Å; K172-D1022 PolarHBondContact NZ-OD2 3.35Å; M1018-D1022 WeakPolarHBondContact O-CB 3.09Å; M1018-D1022 PolarHBondContact O-N 3.47Å; N1019-D1022 PolarHBondContact O-N 2.92Å; D1022-K1025 WeakPolarHBondContact O-CB 2.84Å; D1022-K1025 PolarHBondContact O-N 2.87Å; D1022-K1025 WeakPolarHBondContact OD1-CE 3.18Å; D1022-K1025 IonicContact OD1-NZ 2.87Å; D1022-K1025 PolarHBondContact OD1-NZ 2.78Å; D1022-Y1026 WeakPolarHBondContact O-CB 3.42Å; D1022-Y1026 PolarHBondContact O-N 2.97Å
1023H82.8Confident85Confident73 Ų7359.5 Ų59.534%0.33832%0.315SS..Hα-helixtrans-67.1-46.2172.5-168.169.2000111N1019 A1020 L1021 K1025 Y1026 E1027N1019-H1023 VanDerWaalsContact O-CB 3.3Å; N1019-H1023 WeakPolarHBondContact O-CB 3.16Å; N1019-H1023 PolarHBondContact O-N 3.23Å; A1020-H1023 PolarHBondContact O-N 3.13Å; L1021-H1023 VanDerWaalsContact C-N 3.33Å; H1023-K1025 VanDerWaalsContact C-N 3.28Å; H1023-K1025 PolarHBondContact O-N 3.2Å; H1023-Y1026 WeakPolarHBondContact O-CB 3.19Å; H1023-Y1026 PolarHBondContact O-N 3.1Å; H1023-Y1026 VanDerWaalsContact O-N 3.13Å; H1023-E1027 IonicContact NE2-OE1 3.55Å; H1023-E1027 WeakPolarHBondContact O-CB 3.36Å; H1023-E1027 WeakPolarHBondContact O-CG 3.06Å; H1023-E1027 PolarHBondContact O-N 3.33Å
1024Q84.6Confident85.2Confident120 Ų12064.7 Ų64.756%0.56133%0.327SS*.Hα-helixtrans-59.1-39.6172-79-176.1-15.200111.7A1020 L1021 E1027 A1028A1020-Q1024 WeakPolarHBondContact O-CB 3.43Å; A1020-Q1024 WeakPolarHBondContact O-CG 3.11Å; A1020-Q1024 PolarHBondContact O-N 3.3Å; L1021-Q1024 PolarHBondContact O-N 2.87Å; Q1024-E1027 PolarHBondContact O-N 3.45Å; Q1024-A1028 WeakPolarHBondContact O-CB 2.95Å; Q1024-A1028 PolarHBondContact O-N 2.97Å
1025K84Confident85.5Confident14 Ų1464.3 Ų64.36%0.06132%0.323CS..Hα-helixtrans-62.5-45.6173.3178.7177.674.2-175.70111.4T165 Y168 D169 L1021 D1022 H1023 A1028 I1029 V1083T165-K1025 HydrophobicContact CG2-CD 4.44Å; T165-K1025 HydrophobicContact CG2-CG 3.74Å; Y168-K1025 HydrophobicContact CD1-CD 3.79Å; Y168-K1025 HydrophobicContact CE1-CD 3.94Å; D169-K1025 IonicContact OD1-NZ 2.86Å; D169-K1025 PolarHBondContact OD1-NZ 3.2Å; L1021-K1025 VanDerWaalsContact O-CB 3.3Å; L1021-K1025 WeakPolarHBondContact O-CB 3.42Å; L1021-K1025 PolarHBondContact O-N 2.77Å; D1022-K1025 WeakPolarHBondContact O-CB 2.84Å; D1022-K1025 PolarHBondContact O-N 2.87Å; D1022-K1025 WeakPolarHBondContact OD1-CE 3.18Å; D1022-K1025 IonicContact OD1-NZ 2.87Å; D1022-K1025 PolarHBondContact OD1-NZ 2.78Å; H1023-K1025 VanDerWaalsContact C-N 3.28Å; H1023-K1025 PolarHBondContact O-N 3.2Å; K1025-A1028 PolarHBondContact O-N 3.12Å; K1025-I1029 HydrophobicContact CG-CD1 3.85Å; K1025-I1029 WeakPolarHBondContact O-CB 3.32Å; K1025-I1029 VanDerWaalsContact O-CG1 3.29Å; K1025-I1029 WeakPolarHBondContact O-CG1 3Å; K1025-I1029 PolarHBondContact O-N 2.85Å; K1025-V1083 HydrophobicContact CD-CG1 4.33Å; K1025-V1083 HydrophobicContact CG-CG1 4.42Å; K1025-V1083 HydrophobicContact CG-CG2 4.43Å
1026Y84Confident85.8Confident30 Ų3060.9 Ų60.912%0.11831%0.309CS..Hα-helixtrans-61-49.1176.8177.3-96.3000111.2D1022 H1023 I1029 Q1030 P1081 V1083 F1086D1022-Y1026 WeakPolarHBondContact O-CB 3.42Å; D1022-Y1026 PolarHBondContact O-N 2.97Å; H1023-Y1026 WeakPolarHBondContact O-CB 3.19Å; H1023-Y1026 PolarHBondContact O-N 3.1Å; H1023-Y1026 VanDerWaalsContact O-N 3.13Å; Y1026-I1029 PolarHBondContact O-N 3.13Å; Y1026-Q1030 HydrophobicContact CD1-CG 4.2Å; Y1026-Q1030 HydrophobicContact CE1-CG 3.81Å; Y1026-Q1030 HydrophobicContact CE2-CG 4.13Å; Y1026-Q1030 VanDerWaalsContact CZ-NE2 3.28Å; Y1026-Q1030 WeakPolarHBondContact O-CB 2.87Å; Y1026-Q1030 WeakPolarHBondContact O-CG 3.2Å; Y1026-Q1030 PolarHBondContact O-N 2.98Å; Y1026-Q1030 PolarHBondContact OH-NE2 2.9Å; Y1026-P1081 HydrophobicContact CD1-CG 4.41Å; Y1026-P1081 HydrophobicContact CD2-CB 4.12Å; Y1026-P1081 HydrophobicContact CE1-CB 4.3Å; Y1026-P1081 HydrophobicContact CE1-CG 3.87Å; Y1026-P1081 HydrophobicContact CE2-CB 3.57Å; Y1026-P1081 HydrophobicContact CE2-CG 4.08Å; Y1026-V1083 HydrophobicContact CD2-CG2 4.05Å; Y1026-V1083 HydrophobicContact CG-CG2 4.32Å; Y1026-F1086 AromaticContact CD2-CE2 3.87Å; Y1026-F1086 HydrophobicContact CD2-CE2 3.87Å; Y1026-F1086 HydrophobicContact CD2-CZ 4.13Å; Y1026-F1086 AromaticContact CE2-CE2 3.77Å; Y1026-F1086 HydrophobicContact CE2-CE2 3.77Å; Y1026-F1086 AromaticContact CE2-CZ 3.54Å; Y1026-F1086 HydrophobicContact CE2-CZ 3.54Å
1027E85.4Confident86.1Confident106 Ų10657.8 Ų57.850%0.49529%0.294SS..Hα-helixtrans-60.9-45.1176.6-74.2-164142.100111.1H1023 Q1024 Q1030 L1031H1023-E1027 IonicContact NE2-OE1 3.55Å; H1023-E1027 WeakPolarHBondContact O-CB 3.36Å; H1023-E1027 WeakPolarHBondContact O-CG 3.06Å; H1023-E1027 PolarHBondContact O-N 3.33Å; Q1024-E1027 PolarHBondContact O-N 3.45Å; E1027-Q1030 PolarHBondContact O-N 3.43Å; E1027-L1031 WeakPolarHBondContact O-CB 3.2Å; E1027-L1031 PolarHBondContact O-N 3.03Å
1028A85.7Confident86.4Confident35 Ų3559 Ų5929%0.28929%0.294SS..Hα-helixtrans-58.8-51.7175.600000110.8Q1024 K1025 Q1030 L1031 T1032Q1024-A1028 WeakPolarHBondContact O-CB 2.95Å; Q1024-A1028 PolarHBondContact O-N 2.97Å; K1025-A1028 PolarHBondContact O-N 3.12Å; A1028-Q1030 PolarHBondContact O-N 3.38Å; A1028-L1031 PolarHBondContact O-N 2.85Å; A1028-T1032 VanDerWaalsContact O-CB 3.28Å; A1028-T1032 WeakPolarHBondContact O-CB 3.34Å; A1028-T1032 PolarHBondContact O-N 2.77Å; A1028-T1032 PolarHBondContact O-OG1 2.74Å
1029I85.8Confident86.8Confident0 Ų058.6 Ų58.60%029%0.293CS..Hα-helixtrans-61.4-42.4178.1-70.6168.3000111.5L159 R160 A163 T165 K1025 Y1026 F1033 V1083L159-I1029 HydrophobicContact CD2-CG2 4.29Å; R160-I1029 HydrophobicContact CG-CD1 4.14Å; A163-I1029 HydrophobicContact CB-CG1 4.18Å; T165-I1029 HydrophobicContact CG2-CD1 4.25Å; T165-I1029 HydrophobicContact CG2-CG1 4.03Å; K1025-I1029 HydrophobicContact CG-CD1 3.85Å; K1025-I1029 WeakPolarHBondContact O-CB 3.32Å; K1025-I1029 VanDerWaalsContact O-CG1 3.29Å; K1025-I1029 WeakPolarHBondContact O-CG1 3Å; K1025-I1029 PolarHBondContact O-N 2.85Å; Y1026-I1029 PolarHBondContact O-N 3.13Å; I1029-F1033 WeakPolarHBondContact O-CB 3.16Å; I1029-F1033 PolarHBondContact O-N 3.12Å; I1029-V1083 HydrophobicContact CD1-CG1 3.52Å
1030Q85.5Confident87.2Confident84 Ų8455.3 Ų55.339%0.39328%0.275SS..Hα-helixtrans-66.4-42.1177.6-79.7-148-36.100112.4Y1026 E1027 A1028 F1033 K1034Y1026-Q1030 HydrophobicContact CD1-CG 4.2Å; Y1026-Q1030 HydrophobicContact CE1-CG 3.81Å; Y1026-Q1030 HydrophobicContact CE2-CG 4.13Å; Y1026-Q1030 VanDerWaalsContact CZ-NE2 3.28Å; Y1026-Q1030 WeakPolarHBondContact O-CB 2.87Å; Y1026-Q1030 WeakPolarHBondContact O-CG 3.2Å; Y1026-Q1030 PolarHBondContact O-N 2.98Å; Y1026-Q1030 PolarHBondContact OH-NE2 2.9Å; E1027-Q1030 PolarHBondContact O-N 3.43Å; A1028-Q1030 PolarHBondContact O-N 3.38Å; Q1030-F1033 PolarHBondContact O-N 2.65Å; Q1030-K1034 WeakPolarHBondContact O-CB 3.49Å; Q1030-K1034 PolarHBondContact O-N 3.32Å
1031L87.9Confident87.5Confident100 Ų10056.3 Ų56.352%0.52427%0.272SS..Hα-helixtrans-67.3-47.8179.7-174.7135.2000110.1E1027 A1028 K1034 Q1035E1027-L1031 WeakPolarHBondContact O-CB 3.2Å; E1027-L1031 PolarHBondContact O-N 3.03Å; A1028-L1031 PolarHBondContact O-N 2.85Å; L1031-K1034 PolarHBondContact O-N 3.46Å; L1031-Q1035 WeakPolarHBondContact O-CB 3.06Å; L1031-Q1035 WeakPolarHBondContact O-CG 3.44Å; L1031-Q1035 PolarHBondContact O-N 3.28Å
1032T87.6Confident87.8Confident14 Ų1457.7 Ų57.79%0.08628%0.279CS..Hα-helixtrans-59.6-45.6172.2-54.70000110.7L159 V162 A163 A1028 K1034 Q1035 V1036L159-T1032 HydrophobicContact CD1-CG2 4.5Å; V162-T1032 HydrophobicContact CG1-CG2 3.97Å; A163-T1032 HydrophobicContact CB-CG2 4.31Å; A1028-T1032 VanDerWaalsContact O-CB 3.28Å; A1028-T1032 WeakPolarHBondContact O-CB 3.34Å; A1028-T1032 PolarHBondContact O-N 2.77Å; A1028-T1032 PolarHBondContact O-OG1 2.74Å; T1032-K1034 PolarHBondContact O-N 3.24Å; T1032-Q1035 PolarHBondContact O-N 2.6Å; T1032-V1036 HydrophobicContact CG2-CG2 4.1Å; T1032-V1036 VanDerWaalsContact O-CB 3.28Å; T1032-V1036 WeakPolarHBondContact O-CB 2.77Å; T1032-V1036 WeakPolarHBondContact O-CG2 2.93Å; T1032-V1036 PolarHBondContact O-N 2.61Å
1033F89.9Confident88.1Confident32 Ų3256.8 Ų56.814%0.1427%0.274CS..Hα-helixtrans-60-45.5175.8177.5-102.3000111.9L159 I1029 Q1030 S1037 L1055 M1057 V1089L159-F1033 HydrophobicContact CD2-CB 4Å; L159-F1033 HydrophobicContact CD2-CD2 4.06Å; I1029-F1033 WeakPolarHBondContact O-CB 3.16Å; I1029-F1033 PolarHBondContact O-N 3.12Å; Q1030-F1033 PolarHBondContact O-N 2.65Å; F1033-S1037 WeakPolarHBondContact O-CA 3.46Å; F1033-S1037 WeakPolarHBondContact O-CB 3.07Å; F1033-S1037 PolarHBondContact O-N 3.18Å; F1033-L1055 HydrophobicContact CE2-CB 3.81Å; F1033-L1055 HydrophobicContact CZ-CB 4.06Å; F1033-L1055 WeakPolarHBondContact CZ-O 3.46Å; F1033-M1057 HydrophobicContact CD2-CE 3.74Å; F1033-M1057 HydrophobicContact CD2-SD 4.36Å; F1033-M1057 HydrophobicContact CE1-CB 4.09Å; F1033-M1057 HydrophobicContact CE2-CB 4.1Å; F1033-M1057 HydrophobicContact CE2-CE 4.15Å; F1033-M1057 HydrophobicContact CG-CE 4.16Å; F1033-M1057 HydrophobicContact CG-SD 4.28Å; F1033-M1057 HydrophobicContact CZ-CB 3.8Å; F1033-V1089 HydrophobicContact CE2-CG1 4.07Å
1034K89.6Confident88.5Confident163 Ų16353.3 Ų53.371%0.70926%0.258SS*.Hα-helixtrans-66.5-41.2-179.7-172.3178.7-178-1800111.2Q1030 L1031 T1032 K1038Q1030-K1034 WeakPolarHBondContact O-CB 3.49Å; Q1030-K1034 PolarHBondContact O-N 3.32Å; L1031-K1034 PolarHBondContact O-N 3.46Å; T1032-K1034 PolarHBondContact O-N 3.24Å; K1034-K1038 VanDerWaalsContact O-CB 3.23Å; K1034-K1038 WeakPolarHBondContact O-CB 3.44Å; K1034-K1038 PolarHBondContact O-N 2.68Å
1035Q90.2Very high88.7Confident84 Ų8453.5 Ų53.539%0.39326%0.257SS..Hα-helixtrans-65.2-52.2175-77.4177-1300111.1L1031 T1032 S1037 K1038 N1039 C1127L1031-Q1035 WeakPolarHBondContact O-CB 3.06Å; L1031-Q1035 WeakPolarHBondContact O-CG 3.44Å; L1031-Q1035 PolarHBondContact O-N 3.28Å; T1032-Q1035 PolarHBondContact O-N 2.6Å; Q1035-S1037 VanDerWaalsContact C-N 3.34Å; Q1035-S1037 PolarHBondContact O-N 3.37Å; Q1035-K1038 PolarHBondContact O-N 3.24Å; Q1035-N1039 VanDerWaalsContact O-CB 3.29Å; Q1035-N1039 WeakPolarHBondContact O-CB 3.23Å; Q1035-N1039 PolarHBondContact O-N 3.2Å; Q1035-N1039 PolarHBondContact O-ND2 2.99Å; Q1035-C1127 PolarHBondContact OE1-SG 2.98Å
1036V90.4Very high88.9Confident1 Ų159 Ų591%0.00628%0.278CS..Hα-helixtrans-61.1-42.3177.6175.20000110.6L159 T1032 N1039 F1040 L1055 L1120 A1123 I1124 C1127L159-V1036 HydrophobicContact CD1-CB 4.36Å; L159-V1036 HydrophobicContact CD1-CG1 4.45Å; L159-V1036 HydrophobicContact CD1-CG2 4.34Å; T1032-V1036 HydrophobicContact CG2-CG2 4.1Å; T1032-V1036 VanDerWaalsContact O-CB 3.28Å; T1032-V1036 WeakPolarHBondContact O-CB 2.77Å; T1032-V1036 WeakPolarHBondContact O-CG2 2.93Å; T1032-V1036 PolarHBondContact O-N 2.61Å; V1036-N1039 PolarHBondContact O-N 3.41Å; V1036-F1040 WeakPolarHBondContact O-CA 2.84Å; V1036-F1040 WeakPolarHBondContact O-CB 3.16Å; V1036-F1040 PolarHBondContact O-N 3.05Å; V1036-L1055 HydrophobicContact CG1-CD1 3.79Å; V1036-L1120 HydrophobicContact CG1-CD1 4.34Å; V1036-A1123 HydrophobicContact CG1-CB 4.28Å; V1036-I1124 HydrophobicContact CG1-CG1 4.23Å; V1036-I1124 HydrophobicContact CG2-CG1 4.48Å; V1036-C1127 HydrophobicContact CG2-CB 3.86Å
1037S91.2Very high89.1Confident16 Ų1657.8 Ų57.811%0.11227%0.273CS..Hα-helixtrans-65.5-40.3177.8-175.90000112.6F1033 Q1035 Q1041F1033-S1037 WeakPolarHBondContact O-CA 3.46Å; F1033-S1037 WeakPolarHBondContact O-CB 3.07Å; F1033-S1037 PolarHBondContact O-N 3.18Å; Q1035-S1037 VanDerWaalsContact C-N 3.34Å; Q1035-S1037 PolarHBondContact O-N 3.37Å; S1037-Q1041 WeakPolarHBondContact O-CG 3.37Å; S1037-Q1041 PolarHBondContact O-N 2.71Å
1038K92Very high89.2Confident127 Ų12753.1 Ų53.155%0.55225%0.252SS*.Hα-helixtrans-67.5-49.3175.9-178.8179.6176.6-174.90110.7K1034 Q1035 F1040 Q1041 D1042K1034-K1038 VanDerWaalsContact O-CB 3.23Å; K1034-K1038 WeakPolarHBondContact O-CB 3.44Å; K1034-K1038 PolarHBondContact O-N 2.68Å; Q1035-K1038 PolarHBondContact O-N 3.24Å; K1038-F1040 PolarHBondContact O-N 3.24Å; K1038-Q1041 WeakPolarHBondContact O-CB 3.46Å; K1038-Q1041 PolarHBondContact O-N 2.61Å; K1038-D1042 VanDerWaalsContact O-CG 3.32Å; K1038-D1042 PolarHBondContact O-N 3.02Å
1039N91.4Very high89Confident31 Ų3156 Ų5617%0.16627%0.268CS..Hα-helixtrans-59.1-39.7176.4-69.6-14.3000110.9Q1035 V1036 D1042 I1043 A1123 K1126Q1035-N1039 VanDerWaalsContact O-CB 3.29Å; Q1035-N1039 WeakPolarHBondContact O-CB 3.23Å; Q1035-N1039 PolarHBondContact O-N 3.2Å; Q1035-N1039 PolarHBondContact O-ND2 2.99Å; V1036-N1039 PolarHBondContact O-N 3.41Å; N1039-D1042 PolarHBondContact O-N 3.05Å; N1039-I1043 HydrophobicContact CB-CD1 4.38Å; N1039-I1043 VanDerWaalsContact O-CB 3.23Å; N1039-I1043 WeakPolarHBondContact O-CB 3.32Å; N1039-I1043 VanDerWaalsContact O-CD1 3.32Å; N1039-I1043 WeakPolarHBondContact O-CD1 2.93Å; N1039-I1043 WeakPolarHBondContact O-CG1 2.71Å; N1039-I1043 PolarHBondContact O-N 3.1Å; N1039-A1123 HydrophobicContact CB-CB 3.97Å; N1039-A1123 PolarHBondContact ND2-O 2.57Å; N1039-K1126 HydrophobicContact CB-CB 4.46Å; N1039-K1126 WeakPolarHBondContact ND2-CB 3.44Å
1040F92Very high88.9Confident0 Ų063.1 Ų63.10%030%0.301CS..Hα-helixtrans-63.2-44.9176.6-178.1-102.4000111.9V1036 K1038 F1044 A1053 L1055 I1091 V1116 T1119 L1120 A1123V1036-F1040 WeakPolarHBondContact O-CA 2.84Å; V1036-F1040 WeakPolarHBondContact O-CB 3.16Å; V1036-F1040 PolarHBondContact O-N 3.05Å; K1038-F1040 PolarHBondContact O-N 3.24Å; F1040-F1044 WeakPolarHBondContact O-CB 3.24Å; F1040-F1044 PolarHBondContact O-N 3.24Å; F1040-A1053 HydrophobicContact CD1-CB 4.11Å; F1040-A1053 HydrophobicContact CE1-CB 3.39Å; F1040-A1053 HydrophobicContact CZ-CB 3.93Å; F1040-L1055 HydrophobicContact CB-CD1 4.26Å; F1040-L1055 HydrophobicContact CB-CG 4.46Å; F1040-L1055 HydrophobicContact CD1-CD2 4.16Å; F1040-L1055 HydrophobicContact CD1-CG 3.86Å; F1040-L1055 HydrophobicContact CE1-CD2 4.07Å; F1040-L1055 HydrophobicContact CE1-CG 4.24Å; F1040-L1055 HydrophobicContact CG-CD1 4.33Å; F1040-L1055 HydrophobicContact CG-CD2 4.48Å; F1040-L1055 HydrophobicContact CG-CG 4.15Å; F1040-L1055 HydrophobicContact CZ-CD2 4.35Å; F1040-I1091 HydrophobicContact CE1-CG2 4.17Å; F1040-I1091 HydrophobicContact CZ-CG2 3.87Å; F1040-V1116 HydrophobicContact CE2-CG1 4.43Å; F1040-V1116 HydrophobicContact CZ-CG1 4.12Å; F1040-T1119 HydrophobicContact CD2-CG2 3.49Å; F1040-T1119 VanDerWaalsContact CD2-CG2 3.49Å; F1040-T1119 HydrophobicContact CE2-CG2 3.62Å; F1040-T1119 HydrophobicContact CG-CG2 4.2Å; F1040-T1119 HydrophobicContact CZ-CG2 4.43Å; F1040-T1119 WeakPolarHBondContact O-CG2 3.38Å; F1040-L1120 HydrophobicContact CD2-CB 4.25Å; F1040-L1120 HydrophobicContact CD2-CD1 4.24Å; F1040-L1120 HydrophobicContact CE2-CB 4.04Å; F1040-L1120 HydrophobicContact CE2-CD1 4.48Å; F1040-A1123 HydrophobicContact CB-CB 3.8Å; F1040-A1123 HydrophobicContact CD2-CB 4.38Å
1041Q90.8Very high88.9Confident72 Ų7259.2 Ų59.234%0.33628%0.283SS..Hα-helixtrans-59.6-49.2173-82.8171.3100112S1037 K1038 F1044 K1045 A1053S1037-Q1041 WeakPolarHBondContact O-CG 3.37Å; S1037-Q1041 PolarHBondContact O-N 2.71Å; K1038-Q1041 WeakPolarHBondContact O-CB 3.46Å; K1038-Q1041 PolarHBondContact O-N 2.61Å; Q1041-F1044 PolarHBondContact O-N 3.45Å; Q1041-K1045 VanDerWaalsContact O-CB 3.29Å; Q1041-K1045 WeakPolarHBondContact O-CB 3.25Å; Q1041-K1045 PolarHBondContact O-N 3.48Å; Q1041-A1053 WeakPolarHBondContact CG-O 3.32Å
1042D90Very high88.8Confident87 Ų8759.4 Ų59.447%0.46528%0.277SS..Hα-helixtrans-65.5-44.1-176.4-69.4-20.7000111.6K1038 N1039 R1046K1038-D1042 VanDerWaalsContact O-CG 3.32Å; K1038-D1042 PolarHBondContact O-N 3.02Å; N1039-D1042 PolarHBondContact O-N 3.05Å; D1042-R1046 WeakPolarHBondContact O-CB 3.48Å; D1042-R1046 PolarHBondContact O-N 3.25Å; D1042-R1046 VanDerWaalsContact O-N 3.1Å
1043I90.3Very high88.9Confident3 Ų358.9 Ų58.92%0.01527%0.274CS..Hα-helixtrans-69-42178.2-67.1164.6000110.2N1039 K1045 R1046 L1047 T1119 F1122 A1123 K1126 M1153N1039-I1043 HydrophobicContact CB-CD1 4.38Å; N1039-I1043 VanDerWaalsContact O-CB 3.23Å; N1039-I1043 WeakPolarHBondContact O-CB 3.32Å; N1039-I1043 VanDerWaalsContact O-CD1 3.32Å; N1039-I1043 WeakPolarHBondContact O-CD1 2.93Å; N1039-I1043 WeakPolarHBondContact O-CG1 2.71Å; N1039-I1043 PolarHBondContact O-N 3.1Å; I1043-K1045 PolarHBondContact O-N 3.31Å; I1043-R1046 WeakPolarHBondContact O-CB 2.83Å; I1043-R1046 PolarHBondContact O-N 2.63Å; I1043-L1047 HydrophobicContact CG2-CD1 3.85Å; I1043-L1047 HydrophobicContact CG2-CG 4.4Å; I1043-L1047 WeakPolarHBondContact O-CG 3.3Å; I1043-L1047 PolarHBondContact O-N 3.15Å; I1043-T1119 HydrophobicContact CB-CG2 4.14Å; I1043-T1119 HydrophobicContact CG2-CG2 3.88Å; I1043-F1122 VanDerWaalsContact CD1-C 3.43Å; I1043-F1122 HydrophobicContact CD1-CB 3.8Å; I1043-F1122 WeakPolarHBondContact CD1-O 3.23Å; I1043-F1122 HydrophobicContact CG2-CB 4.12Å; I1043-F1122 HydrophobicContact CG2-CD2 4.46Å; I1043-A1123 HydrophobicContact CD1-CB 4.12Å; I1043-K1126 HydrophobicContact CD1-CD 4.1Å; I1043-K1126 HydrophobicContact CD1-CG 4.37Å; I1043-M1153 HydrophobicContact CG2-CE 3.92Å
1044F91.1Very high88.9Confident0 Ų058.4 Ų58.40%027%0.272CS..Hα-helixtrans-63.2-45.2178.7-167.6-98.1000111.3F1040 Q1041 R1046 L1047 V1048 A1053 V1093 F1095 V1116 T1119F1040-F1044 WeakPolarHBondContact O-CB 3.24Å; F1040-F1044 PolarHBondContact O-N 3.24Å; Q1041-F1044 PolarHBondContact O-N 3.45Å; F1044-R1046 PolarHBondContact O-N 3.34Å; F1044-L1047 PolarHBondContact O-N 2.87Å; F1044-L1047 VanDerWaalsContact O-N 3.14Å; F1044-V1048 HydrophobicContact CE1-CB 4.12Å; F1044-V1048 HydrophobicContact CE1-CG2 4.31Å; F1044-V1048 HydrophobicContact CE2-CG2 4.25Å; F1044-V1048 HydrophobicContact CZ-CB 4.31Å; F1044-V1048 HydrophobicContact CZ-CG2 4.01Å; F1044-V1048 PolarHBondContact O-N 3.1Å; F1044-A1053 HydrophobicContact CB-CB 3.83Å; F1044-A1053 HydrophobicContact CD1-CB 3.45Å; F1044-A1053 VanDerWaalsContact CD1-CB 3.45Å; F1044-A1053 HydrophobicContact CD2-CB 3.69Å; F1044-A1053 HydrophobicContact CE1-CB 3.84Å; F1044-A1053 HydrophobicContact CE2-CB 4.08Å; F1044-A1053 HydrophobicContact CG-CB 3.35Å; F1044-A1053 HydrophobicContact CZ-CB 4.15Å; F1044-V1093 HydrophobicContact CE1-CG1 3.91Å; F1044-V1093 HydrophobicContact CE2-CG1 3.8Å; F1044-V1093 HydrophobicContact CZ-CG1 3.3Å; F1044-F1095 HydrophobicContact CE2-CE1 4.29Å; F1044-F1095 HydrophobicContact CE2-CZ 4.13Å; F1044-F1095 HydrophobicContact CZ-CD1 4.27Å; F1044-F1095 AromaticContact CZ-CE1 3.88Å; F1044-F1095 HydrophobicContact CZ-CE1 3.88Å; F1044-F1095 HydrophobicContact CZ-CE2 4.27Å; F1044-F1095 AromaticContact CZ-CZ 3.87Å; F1044-F1095 HydrophobicContact CZ-CZ 3.87Å; F1044-V1116 HydrophobicContact CE2-CG2 4.07Å; F1044-T1119 HydrophobicContact CB-CG2 3.73Å; F1044-T1119 HydrophobicContact CD2-CG2 4.04Å; F1044-T1119 HydrophobicContact CG-CG2 4.41Å
1045K88.5Confident88.9Confident125 Ų12551.2 Ų51.254%0.54324%0.241SC..Hα-helixtrans-62.8-30177.4-168.7167.5-172.6166.40112.2Q1041 I1043 V1048 P1049Q1041-K1045 VanDerWaalsContact O-CB 3.29Å; Q1041-K1045 WeakPolarHBondContact O-CB 3.25Å; Q1041-K1045 PolarHBondContact O-N 3.48Å; I1043-K1045 PolarHBondContact O-N 3.31Å; K1045-V1048 CarbonylContact O-C 3.6Å; K1045-P1049 WeakPolarHBondContact O-CA 3.44Å
1046R87.6Confident88.8Confident129 Ų12949.3 Ų49.349%0.48724%0.236SC..Hα-helixtrans-74.4-37.5174-174166.3-179.8-172.53.9112.9D1042 I1043 F1044 M1153 D1156D1042-R1046 WeakPolarHBondContact O-CB 3.48Å; D1042-R1046 PolarHBondContact O-N 3.25Å; D1042-R1046 VanDerWaalsContact O-N 3.1Å; I1043-R1046 WeakPolarHBondContact O-CB 2.83Å; I1043-R1046 PolarHBondContact O-N 2.63Å; F1044-R1046 PolarHBondContact O-N 3.34Å; R1046-M1153 HydrophobicContact CB-CE 4.03Å; R1046-M1153 HydrophobicContact CG-CE 3.8Å; R1046-D1156 IonicContact CZ-OD2 3.51Å; R1046-D1156 IonicContact NH1-OD2 3.02Å; R1046-D1156 PolarHBondContact NH1-OD2 3.17Å; R1046-D1156 IonicContact NH2-OD2 3.52Å; R1046-D1156 PolarHBondContact NH2-OD2 2.73Å
1047L87.7Confident88.7Confident5 Ų550.9 Ų50.93%0.02624%0.243CC..Hα-helixtrans-77.5-35177.7-70.2170.1000112.7I1043 F1044 L1115 T1119 A1149 V1150 M1153I1043-L1047 HydrophobicContact CG2-CD1 3.85Å; I1043-L1047 HydrophobicContact CG2-CG 4.4Å; I1043-L1047 WeakPolarHBondContact O-CG 3.3Å; I1043-L1047 PolarHBondContact O-N 3.15Å; F1044-L1047 PolarHBondContact O-N 2.87Å; F1044-L1047 VanDerWaalsContact O-N 3.14Å; L1047-L1115 HydrophobicContact CB-CD1 4.41Å; L1047-L1115 HydrophobicContact CD1-CD1 4.16Å; L1047-T1119 WeakPolarHBondContact CD1-OG1 2.94Å; L1047-A1149 HydrophobicContact CD2-CB 3.84Å; L1047-V1150 HydrophobicContact CD2-CG2 4.04Å; L1047-M1153 HydrophobicContact CD2-CE 4.33Å; L1047-M1153 HydrophobicContact CG-CE 4.25Å
1048V87.5Confident88.4Confident7 Ų754.8 Ų54.84%0.04226%0.258CS..SBendtrans-130.691.9-179.4-168.30000108.4F1044 K1045 E1050 G1051 F1095 L1115 Y1146F1044-V1048 HydrophobicContact CE1-CB 4.12Å; F1044-V1048 HydrophobicContact CE1-CG2 4.31Å; F1044-V1048 HydrophobicContact CE2-CG2 4.25Å; F1044-V1048 HydrophobicContact CZ-CB 4.31Å; F1044-V1048 HydrophobicContact CZ-CG2 4.01Å; F1044-V1048 PolarHBondContact O-N 3.1Å; K1045-V1048 CarbonylContact O-C 3.6Å; V1048-E1050 PolarHBondContact O-N 3.1Å; V1048-G1051 PolarHBondContact O-N 3.05Å; V1048-F1095 HydrophobicContact CG1-CD1 4.15Å; V1048-F1095 HydrophobicContact CG2-CD1 4.31Å; V1048-F1095 HydrophobicContact CG2-CE1 4.15Å; V1048-L1115 HydrophobicContact CG2-CD2 3.38Å; V1048-Y1146 HydrophobicContact CG2-CE1 3.95Å
1049P82.9Confident87.8Confident96 Ų9655.5 Ų55.562%0.62326%0.261SS*.THydrogen-bonded Turntrans-57.4-33.7-174.2-27.134.7000114.7K1045K1045-P1049 WeakPolarHBondContact O-CA 3.44Å
1050E83.4Confident86.4Confident149 Ų14955.5 Ų55.570%0.69627%0.269SS*.THydrogen-bonded Turntrans-94.86.8178.6-58.4-164.8169.300113.4V1048 G1097V1048-E1050 PolarHBondContact O-N 3.1Å; E1050-G1097 VanDerWaalsContact O-CA 3.3Å; E1050-G1097 WeakPolarHBondContact O-CA 3.28Å; E1050-G1097 PolarHBondContact O-N 3.05Å
1051G84Confident84.7Confident3 Ų362.2 Ų62.23%0.03131%0.309CS..  trans-104.3158-176.400000113.1V1048 S1094V1048-G1051 PolarHBondContact O-N 3.05Å; G1051-S1094 CarbonylContact C-O 3.58Å; G1051-S1094 WeakPolarHBondContact CA-O 3.45Å
1052R87.5Confident82.5Confident104 Ų10468.5 Ų68.539%0.39233%0.33SS..EExtended strand (participates in β ladder)trans-134.6130.4173-176.6176.5168.2-169.1-7.6109.8E1054 V1093 S1094 M1102R1052-E1054 IonicContact CZ-OE2 3.91Å; R1052-E1054 IonicContact NE-OE2 2.8Å; R1052-E1054 IonicContact NH2-OE2 2.75Å; R1052-E1054 PolarHBondContact NH2-OE2 3.36Å; R1052-E1054 VanDerWaalsContact NH2-OE2 3.09Å; R1052-V1093 CarbonylContact O-C 3.44Å; R1052-S1094 PolarHBondContact N-O 3.19Å; R1052-S1094 PolarHBondContact O-N 3.13Å; R1052-M1102 HydrophobicContact CG-CE 3.9Å
1053A88.4Confident80.1Confident2 Ų273.5 Ų73.52%0.01735%0.35CS..EExtended strand (participates in β ladder)trans-132.3142.8175.700000110.5F1040 Q1041 F1044 R1092 V1093F1040-A1053 HydrophobicContact CD1-CB 4.11Å; F1040-A1053 HydrophobicContact CE1-CB 3.39Å; F1040-A1053 HydrophobicContact CZ-CB 3.93Å; Q1041-A1053 WeakPolarHBondContact CG-O 3.32Å; F1044-A1053 HydrophobicContact CB-CB 3.83Å; F1044-A1053 HydrophobicContact CD1-CB 3.45Å; F1044-A1053 VanDerWaalsContact CD1-CB 3.45Å; F1044-A1053 HydrophobicContact CD2-CB 3.69Å; F1044-A1053 HydrophobicContact CE1-CB 3.84Å; F1044-A1053 HydrophobicContact CE2-CB 4.08Å; F1044-A1053 HydrophobicContact CG-CB 3.35Å; F1044-A1053 HydrophobicContact CZ-CB 4.15Å; A1053-R1092 CarbonylContact C-O 3.47Å; A1053-R1092 WeakPolarHBondContact CA-O 3.07Å; A1053-V1093 HydrophobicContact CB-CB 4.46Å; A1053-V1093 HydrophobicContact CB-CG1 3.99Å; A1053-V1093 HydrophobicContact CB-CG2 4.11Å
1054E89.8Confident77.4Confident22 Ų2282.9 Ų82.910%0.10339%0.394CS..EExtended strand (participates in β ladder)trans-144.4147.2178.359.3180-143.300112R1052 V1056 R1092 M1102R1052-E1054 IonicContact CZ-OE2 3.91Å; R1052-E1054 IonicContact NE-OE2 2.8Å; R1052-E1054 IonicContact NH2-OE2 2.75Å; R1052-E1054 PolarHBondContact NH2-OE2 3.36Å; R1052-E1054 VanDerWaalsContact NH2-OE2 3.09Å; E1054-V1056 HydrophobicContact CG-CG2 4.45Å; E1054-R1092 HydrophobicContact CG-CB 3.93Å; E1054-R1092 PolarHBondContact N-O 2.97Å; E1054-R1092 PolarHBondContact O-N 3.15Å; E1054-R1092 IonicContact OE1-CZ 3.34Å; E1054-R1092 IonicContact OE1-NE 3.68Å; E1054-R1092 PolarHBondContact OE1-NE 3.11Å; E1054-R1092 IonicContact OE1-NH2 3.98Å; E1054-R1092 PolarHBondContact OE1-NH2 3.04Å; E1054-M1102 HydrophobicContact CG-CE 4.18Å; E1054-M1102 HydrophobicContact CG-SD 3.95Å
1055L90.3Very high74.7Confident12 Ų1286 Ų866%0.06343%0.427CS..EExtended strand (participates in β ladder)trans-93.2135171.5-61.2178.4000108.8F1033 V1036 F1040 V1089 G1090 I1091 L1120F1033-L1055 HydrophobicContact CE2-CB 3.81Å; F1033-L1055 HydrophobicContact CZ-CB 4.06Å; F1033-L1055 WeakPolarHBondContact CZ-O 3.46Å; V1036-L1055 HydrophobicContact CG1-CD1 3.79Å; F1040-L1055 HydrophobicContact CB-CD1 4.26Å; F1040-L1055 HydrophobicContact CB-CG 4.46Å; F1040-L1055 HydrophobicContact CD1-CD2 4.16Å; F1040-L1055 HydrophobicContact CD1-CG 3.86Å; F1040-L1055 HydrophobicContact CE1-CD2 4.07Å; F1040-L1055 HydrophobicContact CE1-CG 4.24Å; F1040-L1055 HydrophobicContact CG-CD1 4.33Å; F1040-L1055 HydrophobicContact CG-CD2 4.48Å; F1040-L1055 HydrophobicContact CG-CG 4.15Å; F1040-L1055 HydrophobicContact CZ-CD2 4.35Å; L1055-V1089 HydrophobicContact CB-CG1 4.3Å; L1055-V1089 HydrophobicContact CD2-CG1 4.31Å; L1055-G1090 WeakPolarHBondContact CA-O 2.72Å; L1055-I1091 HydrophobicContact CD2-CB 4.41Å; L1055-I1091 HydrophobicContact CD2-CD1 4.46Å; L1055-I1091 HydrophobicContact CD2-CG1 3.71Å; L1055-I1091 HydrophobicContact CD2-CG2 4.35Å; L1055-L1120 HydrophobicContact CD1-CD1 4.19Å; L1055-L1120 HydrophobicContact CD2-CD1 4.4Å
1056V88.5Confident72.1Confident45 Ų4589.6 Ų89.627%0.27345%0.445SS..EExtended strand (participates in β ladder)trans-122.1121-179.1-176.50000109.5E1054 K1058 V1089 G1090 R1092E1054-V1056 HydrophobicContact CG-CG2 4.45Å; V1056-K1058 PolarHBondContact O-N 2.55Å; V1056-V1089 CarbonylContact O-C 3.38Å; V1056-G1090 PolarHBondContact N-O 3.29Å; V1056-G1090 PolarHBondContact O-N 3.28Å; V1056-R1092 HydrophobicContact CG2-CG 4.15Å
1057M87.3Confident69.4Low33 Ų3387.2 Ų87.216%0.16346%0.462CS..EExtended strand (participates in β ladder)trans-80.7116177.1-173135.4-86.400110.5L156 L159 F1033 F1086 V1089L156-M1057 HydrophobicContact CD1-CE 3.86Å; L159-M1057 HydrophobicContact CD2-CE 3.87Å; F1033-M1057 HydrophobicContact CD2-CE 3.74Å; F1033-M1057 HydrophobicContact CD2-SD 4.36Å; F1033-M1057 HydrophobicContact CE1-CB 4.09Å; F1033-M1057 HydrophobicContact CE2-CB 4.1Å; F1033-M1057 HydrophobicContact CE2-CE 4.15Å; F1033-M1057 HydrophobicContact CG-CE 4.16Å; F1033-M1057 HydrophobicContact CG-SD 4.28Å; F1033-M1057 HydrophobicContact CZ-CB 3.8Å; M1057-F1086 HydrophobicContact CG-CD1 3.32Å; M1057-F1086 HydrophobicContact CG-CE1 3.58Å; M1057-F1086 HydrophobicContact CG-CG 4.16Å; M1057-F1086 HydrophobicContact SD-CD1 3.45Å; M1057-F1086 WeakPolarHBondContact SD-CD1 3.09Å; M1057-F1086 HydrophobicContact SD-CD2 4.31Å; M1057-F1086 HydrophobicContact SD-CE1 3.47Å; M1057-F1086 WeakPolarHBondContact SD-CE1 3.35Å; M1057-F1086 HydrophobicContact SD-CE2 4.33Å; M1057-F1086 HydrophobicContact SD-CG 3.88Å; M1057-F1086 HydrophobicContact SD-CZ 3.93Å; M1057-V1089 HydrophobicContact CE-CG2 3.6Å
1058K84.9Confident66.8Low99 Ų9992.3 Ų92.343%0.4350%0.497SS..EExtended strand (participates in β ladder)trans-85.8131.6178.1-67.6-168.7175.5174.70110.9D152 V1056 I1087 G1088D152-K1058 WeakPolarHBondContact OD2-CD 3.35Å; D152-K1058 WeakPolarHBondContact OD2-CE 3.29Å; D152-K1058 IonicContact OD2-NZ 3.83Å; D152-K1058 PolarHBondContact OD2-NZ 2.66Å; V1056-K1058 PolarHBondContact O-N 2.55Å; K1058-I1087 PolarHBondContact O-N 3.14Å; K1058-G1088 WeakPolarHBondContact CB-O 2.75Å; K1058-G1088 PolarHBondContact N-O 2.53Å
1059K78.9Confident64.2Low142 Ų14296.7 Ų96.762%0.61753%0.528SS*.EExtended strand (participates in β ladder)trans-108.9145177-63.2179.3-179.1178.70110.5R1085 F1086K1059-R1085 CarbonylContact C-O 3.6Å; K1059-R1085 VanDerWaalsContact CA-O 3.26Å; K1059-R1085 WeakPolarHBondContact CA-O 3.01Å; K1059-F1086 HydrophobicContact CG-CD1 4.28Å; K1059-F1086 HydrophobicContact CG-CE1 4.44Å
1060G63.6Low62Low31 Ų3199.7 Ų99.732%0.3254%0.539SS..PPolyproline II helixtrans-72.2142.7172.600000113.7R1085G1060-R1085 PolarHBondContact N-O 3.49Å
1061V55.3Low59.7Low141 Ų141101.9 Ų101.986%0.85555%0.55SS*.PPolyproline II helixtrans-87126.9167.9-172.20000107.2Q1063V1061-Q1063 PolarHBondContact O-N 3.34Å
1062R44.9Very low57.5Low204 Ų204109.9 Ų109.977%0.7759%0.592SS**PPolyproline II helixtrans-60.2124.9170.4-85.2-177.7172178.9-4.7107.9E1064R1062-E1064 PolarHBondContact O-N 2.6Å; R1062-E1064 VanDerWaalsContact O-N 3.12Å
1063Q39.5Very low54.8Low191 Ų191108.7 Ų108.789%0.89361%0.612SS**  trans-67.1107.1160.2-83.3-178.9-8.300107V1061 G1065V1061-Q1063 PolarHBondContact O-N 3.34Å; Q1063-G1065 PolarHBondContact O-N 3.23Å; Q1063-G1065 VanDerWaalsContact O-N 3.13Å
1064E34.7Very low52.1Low200 Ų200112.2 Ų112.294%0.93565%0.648SS**  trans-63.3100.6160-66.1175168.100106.5R1062R1062-E1064 PolarHBondContact O-N 2.6Å; R1062-E1064 VanDerWaalsContact O-N 3.12Å
1065G33.7Very low49.3Very low67 Ų67116 Ų11669%0.69168%0.683SS**  trans-172.1-12.8-172.300000119.8Q1063Q1063-G1065 PolarHBondContact O-N 3.23Å; Q1063-G1065 VanDerWaalsContact O-N 3.13Å
1066E34.1Very low46.6Very low199 Ų199123.1 Ų123.193%0.9372%0.721SS**  trans-140.2120.9171-66.5-179170.900106.9
1067G30.9Very low43.9Very low80 Ų80126.5 Ų126.583%0.82575%0.747SS**  cis135.139.813.600000112.7
1068S33Very low41.4Very low111 Ų111129.3 Ų129.378%0.77677%0.77SS**  trans-177.5120.5149.852.90000112.4
1069S32.3Very low39.6Very low99 Ų99130.8 Ų130.869%0.69279%0.787SS**  trans11.1118.5150.352.50000118.9
1070D37.3Very low38.1Very low160 Ų160126.5 Ų126.586%0.85677%0.77SS**  -170.2104.8110.4-85.1-18.8000109.6
1071E33.8Very low37.7Very low195 Ų195126.6 Ų126.691%0.91177%0.765SS**  trans-79.3108.7157.3-68.9-179.615500106.7
1072D38.5Very low37.9Very low171 Ų171123.5 Ų123.591%0.91474%0.744SS**  trans-154137.8146-123.8-18.6000113
1073G31.6Very low38.6Very low79 Ų79114.1 Ų114.181%0.81471%0.709SS**  trans-73.7142.4-164.600000114.8
1074G30.8Very low39.8Very low76 Ų76111.1 Ų111.178%0.78470%0.695SS**  trans-167.195.9168.300000109.9D1076G1074-D1076 PolarHBondContact O-N 2.74Å
1075A32.1Very low41.4Very low101 Ų101106.8 Ų106.884%0.83567%0.67SS**  trans-68.1108.4173.700000110
1076D33.3Very low43.6Very low161 Ų161104 Ų10486%0.86164%0.639SS**  trans-160.178146.6-103.8-19.2000111.3G1074 S1078G1074-D1076 PolarHBondContact O-N 2.74Å; D1076-S1078 PolarHBondContact O-N 3.39Å
1077S31.6Very low46Very low116 Ų11699.5 Ų99.581%0.81162%0.62SS**  trans21.690.1134.1-170.20000119.3
1078S34.6Very low48.5Very low92 Ų9295.7 Ų95.764%0.64358%0.581SS**  -157.898.7119.751.10000109.5D1076 I1080D1076-S1078 PolarHBondContact O-N 3.39Å; S1078-I1080 PolarHBondContact O-N 3.49Å
1079V47.5Very low51.1Low131 Ų13190.8 Ų90.879%0.79455%0.546SS*.  trans-72.482.9175.5-177.70000107.5P1081V1079-P1081 VanDerWaalsContact O-CD 3.29Å; V1079-P1081 WeakPolarHBondContact O-CD 2.72Å
1080I47.9Very low53.7Low51 Ų5186.3 Ų86.326%0.26252%0.516SS..  trans-69.4119.1173.3-56175.3000106.7N1019 S1078 D1082N1019-I1080 HydrophobicContact CB-CD1 3.56Å; S1078-I1080 PolarHBondContact O-N 3.49Å; I1080-D1082 PolarHBondContact O-N 3.3Å
1081P54.8Low56.2Low33 Ų3378.9 Ų78.921%0.21448%0.476CS..  trans-70.1119.6179.1-12.127.6000108.9Y1026 V1079 V1083Y1026-P1081 HydrophobicContact CD1-CG 4.41Å; Y1026-P1081 HydrophobicContact CD2-CB 4.12Å; Y1026-P1081 HydrophobicContact CE1-CB 4.3Å; Y1026-P1081 HydrophobicContact CE1-CG 3.87Å; Y1026-P1081 HydrophobicContact CE2-CB 3.57Å; Y1026-P1081 HydrophobicContact CE2-CG 4.08Å; V1079-P1081 VanDerWaalsContact O-CD 3.29Å; V1079-P1081 WeakPolarHBondContact O-CD 2.72Å; P1081-V1083 PolarHBondContact O-N 3.46Å
1082D58.2Low58.7Low76 Ų7674.9 Ų74.941%0.40645%0.453SS..  trans-53.6115.6175.2-94-40.9000111.1I1080 E1084 R1085I1080-D1082 PolarHBondContact O-N 3.3Å; D1082-E1084 PolarHBondContact O-N 3.41Å; D1082-E1084 VanDerWaalsContact O-N 3.17Å; D1082-R1085 HydrophobicContact CB-CG 3.7Å; D1082-R1085 VanDerWaalsContact O-CB 3.31Å; D1082-R1085 WeakPolarHBondContact O-CB 3.33Å; D1082-R1085 PolarHBondContact O-N 3.27Å
1083V61.4Low61.1Low8 Ų866.8 Ų66.85%0.04841%0.409CS..G310 helixtrans-58-25168.2-177.20000110.9K1025 Y1026 I1029 P1081 R1085 F1086K1025-V1083 HydrophobicContact CD-CG1 4.33Å; K1025-V1083 HydrophobicContact CG-CG1 4.42Å; K1025-V1083 HydrophobicContact CG-CG2 4.43Å; Y1026-V1083 HydrophobicContact CD2-CG2 4.05Å; Y1026-V1083 HydrophobicContact CG-CG2 4.32Å; I1029-V1083 HydrophobicContact CD1-CG1 3.52Å; P1081-V1083 PolarHBondContact O-N 3.46Å; V1083-R1085 PolarHBondContact O-N 3.25Å; V1083-F1086 HydrophobicContact CG1-CD2 4.37Å; V1083-F1086 VanDerWaalsContact O-CD2 3.3Å; V1083-F1086 WeakPolarHBondContact O-CD2 2.7Å; V1083-F1086 PolarHBondContact O-N 3.31Å
1084E63.1Low63.8Low127 Ų12763.2 Ų63.259%0.59337%0.372SS*.G310 helixtrans-69.7-14.7176-63.7-175.7-177.100113.5D1082 F1086D1082-E1084 PolarHBondContact O-N 3.41Å; D1082-E1084 VanDerWaalsContact O-N 3.17Å; E1084-F1086 PolarHBondContact O-N 2.96Å
1085R70Confident66.3Low109 Ų10960.9 Ų60.941%0.41134%0.34SS..G310 helixtrans-68.3-21.6175.7-71.9171.5-171.9-171.26.5113.2K1059 G1060 D1082 V1083 I1087K1059-R1085 CarbonylContact C-O 3.6Å; K1059-R1085 VanDerWaalsContact CA-O 3.26Å; K1059-R1085 WeakPolarHBondContact CA-O 3.01Å; G1060-R1085 PolarHBondContact N-O 3.49Å; D1082-R1085 HydrophobicContact CB-CG 3.7Å; D1082-R1085 VanDerWaalsContact O-CB 3.31Å; D1082-R1085 WeakPolarHBondContact O-CB 3.33Å; D1082-R1085 PolarHBondContact O-N 3.27Å; V1083-R1085 PolarHBondContact O-N 3.25Å; R1085-I1087 PolarHBondContact O-N 3.39Å
1086F79.9Confident68.4Low10 Ų1060.7 Ų60.74%0.04433%0.329CS..EExtended strand (participates in β ladder)trans-76.9114.6179.6-56.4-54.9000109.9L156 Y1026 M1057 K1059 V1083 E1084L156-F1086 HydrophobicContact CD1-CB 4.2Å; L156-F1086 HydrophobicContact CD2-CB 3.95Å; L156-F1086 WeakPolarHBondContact CD2-O 3.04Å; Y1026-F1086 AromaticContact CD2-CE2 3.87Å; Y1026-F1086 HydrophobicContact CD2-CE2 3.87Å; Y1026-F1086 HydrophobicContact CD2-CZ 4.13Å; Y1026-F1086 AromaticContact CE2-CE2 3.77Å; Y1026-F1086 HydrophobicContact CE2-CE2 3.77Å; Y1026-F1086 AromaticContact CE2-CZ 3.54Å; Y1026-F1086 HydrophobicContact CE2-CZ 3.54Å; M1057-F1086 HydrophobicContact CG-CD1 3.32Å; M1057-F1086 HydrophobicContact CG-CE1 3.58Å; M1057-F1086 HydrophobicContact CG-CG 4.16Å; M1057-F1086 HydrophobicContact SD-CD1 3.45Å; M1057-F1086 WeakPolarHBondContact SD-CD1 3.09Å; M1057-F1086 HydrophobicContact SD-CD2 4.31Å; M1057-F1086 HydrophobicContact SD-CE1 3.47Å; M1057-F1086 WeakPolarHBondContact SD-CE1 3.35Å; M1057-F1086 HydrophobicContact SD-CE2 4.33Å; M1057-F1086 HydrophobicContact SD-CG 3.88Å; M1057-F1086 HydrophobicContact SD-CZ 3.93Å; K1059-F1086 HydrophobicContact CG-CD1 4.28Å; K1059-F1086 HydrophobicContact CG-CE1 4.44Å; V1083-F1086 HydrophobicContact CG1-CD2 4.37Å; V1083-F1086 VanDerWaalsContact O-CD2 3.3Å; V1083-F1086 WeakPolarHBondContact O-CD2 2.7Å; V1083-F1086 PolarHBondContact O-N 3.31Å; E1084-F1086 PolarHBondContact O-N 2.96Å
1087I82.6Confident69.9Low104 Ų10454.2 Ų54.253%0.53330%0.3SS..EExtended strand (participates in β ladder)trans-94-29.1178.8-62.1-172.7000110.9H153 K1058 R1085H153-I1087 WeakPolarHBondContact CA-O 3.41Å; H153-I1087 WeakPolarHBondContact CB-O 3.38Å; K1058-I1087 PolarHBondContact O-N 3.14Å; R1085-I1087 PolarHBondContact O-N 3.39Å
1088G84.4Confident71.4Confident0 Ų053.9 Ų53.90%029%0.29CS..EExtended strand (participates in β ladder)trans-173.8168.9-17700000114.6D152 K1058D152-G1088 CarbonylContact O-C 3.57Å; D152-G1088 WeakPolarHBondContact O-CA 3.48Å; K1058-G1088 WeakPolarHBondContact CB-O 2.75Å; K1058-G1088 PolarHBondContact N-O 2.53Å
1089V87Confident72.6Confident7 Ų755.4 Ų55.44%0.04230%0.3CS..EExtended strand (participates in β ladder)trans-113.3111172.4178.30000107.6D152 R155 L156 L159 F1033 L1055 V1056 M1057D152-V1089 PolarHBondContact O-N 3.45Å; R155-V1089 HydrophobicContact CB-CB 4.19Å; R155-V1089 PolarHBondContact NH1-O 2.95Å; L156-V1089 HydrophobicContact CB-CG2 4.13Å; L156-V1089 HydrophobicContact CD1-CG2 4.08Å; L159-V1089 HydrophobicContact CD2-CG2 4.27Å; F1033-V1089 HydrophobicContact CE2-CG1 4.07Å; L1055-V1089 HydrophobicContact CB-CG1 4.3Å; L1055-V1089 HydrophobicContact CD2-CG1 4.31Å; V1056-V1089 CarbonylContact O-C 3.38Å; M1057-V1089 HydrophobicContact CE-CG2 3.6Å
1090G87.5Confident73.4Confident6 Ų650.8 Ų50.86%0.06228%0.276CS..EExtended strand (participates in β ladder)trans-82.8153.4172.600000112.3L1055 V1056L1055-G1090 WeakPolarHBondContact CA-O 2.72Å; V1056-G1090 PolarHBondContact N-O 3.29Å; V1056-G1090 PolarHBondContact O-N 3.28Å
1091I89.3Confident74.5Confident3 Ų355.6 Ų55.62%0.01530%0.302CS..EExtended strand (participates in β ladder)trans-120.3123.8174.9-52.8174.4000108.1F1040 L1055 V1093 M1105 V1116F1040-I1091 HydrophobicContact CE1-CG2 4.17Å; F1040-I1091 HydrophobicContact CZ-CG2 3.87Å; L1055-I1091 HydrophobicContact CD2-CB 4.41Å; L1055-I1091 HydrophobicContact CD2-CD1 4.46Å; L1055-I1091 HydrophobicContact CD2-CG1 3.71Å; L1055-I1091 HydrophobicContact CD2-CG2 4.35Å; I1091-V1093 HydrophobicContact CG2-CG2 3.66Å; I1091-M1105 HydrophobicContact CB-CE 4.1Å; I1091-M1105 HydrophobicContact CB-CG 4.18Å; I1091-M1105 HydrophobicContact CD1-CG 4.44Å; I1091-M1105 HydrophobicContact CG2-CE 3.71Å; I1091-M1105 HydrophobicContact CG2-SD 4.47Å; I1091-V1116 HydrophobicContact CD1-CG1 4.42Å; I1091-V1116 HydrophobicContact CG2-CG1 4.05Å
1092R87.6Confident75.6Confident111 Ų11156.7 Ų56.742%0.41931%0.305SS..EExtended strand (participates in β ladder)trans-114.8130.1174.9-68.3-160.9-67.9-158.4-7.6110A1053 E1054 V1056 M1102A1053-R1092 CarbonylContact C-O 3.47Å; A1053-R1092 WeakPolarHBondContact CA-O 3.07Å; E1054-R1092 HydrophobicContact CG-CB 3.93Å; E1054-R1092 PolarHBondContact N-O 2.97Å; E1054-R1092 PolarHBondContact O-N 3.15Å; E1054-R1092 IonicContact OE1-CZ 3.34Å; E1054-R1092 IonicContact OE1-NE 3.68Å; E1054-R1092 PolarHBondContact OE1-NE 3.11Å; E1054-R1092 IonicContact OE1-NH2 3.98Å; E1054-R1092 PolarHBondContact OE1-NH2 3.04Å; V1056-R1092 HydrophobicContact CG2-CG 4.15Å; R1092-M1102 HydrophobicContact CB-CB 4.1Å; R1092-M1102 HydrophobicContact CB-SD 3.76Å
1093V88.8Confident76.7Confident1 Ų159.2 Ų59.21%0.00631%0.309CS..EExtended strand (participates in β ladder)trans-138.8139-173.1-165.60000111.7F1044 R1052 A1053 I1091 F1095 R1103 M1105 L1108 V1116F1044-V1093 HydrophobicContact CE1-CG1 3.91Å; F1044-V1093 HydrophobicContact CE2-CG1 3.8Å; F1044-V1093 HydrophobicContact CZ-CG1 3.3Å; R1052-V1093 CarbonylContact O-C 3.44Å; A1053-V1093 HydrophobicContact CB-CB 4.46Å; A1053-V1093 HydrophobicContact CB-CG1 3.99Å; A1053-V1093 HydrophobicContact CB-CG2 4.11Å; I1091-V1093 HydrophobicContact CG2-CG2 3.66Å; V1093-F1095 HydrophobicContact CB-CE2 4.4Å; V1093-F1095 HydrophobicContact CG1-CD2 3.98Å; V1093-F1095 HydrophobicContact CG1-CE2 3.53Å; V1093-F1095 HydrophobicContact CG1-CZ 4.12Å; V1093-R1103 PolarHBondContact N-O 3.18Å; V1093-R1103 PolarHBondContact O-N 2.61Å; V1093-M1105 HydrophobicContact CB-CE 4.16Å; V1093-M1105 HydrophobicContact CG2-CE 3.29Å; V1093-L1108 HydrophobicContact CB-CD1 4.4Å; V1093-V1116 HydrophobicContact CG1-CG2 4.17Å; V1093-V1116 HydrophobicContact CG2-CG1 4.44Å; V1093-V1116 HydrophobicContact CG2-CG2 4.02Å
1094S87.6Confident77.7Confident5 Ų563.4 Ų63.44%0.03533%0.331CS..EExtended strand (participates in β ladder)trans-125133.3168.4174.30000109G1051 R1052 T1096 G1097G1051-S1094 CarbonylContact C-O 3.58Å; G1051-S1094 WeakPolarHBondContact CA-O 3.45Å; R1052-S1094 PolarHBondContact N-O 3.19Å; R1052-S1094 PolarHBondContact O-N 3.13Å; S1094-T1096 PolarHBondContact OG-N 3.41Å; S1094-G1097 PolarHBondContact OG-O 3.39Å; S1094-G1097 VanDerWaalsContact OG-O 3.13Å
1095F84.1Confident78.5Confident26 Ų2657.7 Ų57.711%0.11430%0.304CS..SBendtrans-104.2-8175.8-75.6-95.2000112.9F1044 V1048 V1093 L1108 Q1112 L1115 V1116F1044-F1095 HydrophobicContact CE2-CE1 4.29Å; F1044-F1095 HydrophobicContact CE2-CZ 4.13Å; F1044-F1095 HydrophobicContact CZ-CD1 4.27Å; F1044-F1095 AromaticContact CZ-CE1 3.88Å; F1044-F1095 HydrophobicContact CZ-CE1 3.88Å; F1044-F1095 HydrophobicContact CZ-CE2 4.27Å; F1044-F1095 AromaticContact CZ-CZ 3.87Å; F1044-F1095 HydrophobicContact CZ-CZ 3.87Å; V1048-F1095 HydrophobicContact CG1-CD1 4.15Å; V1048-F1095 HydrophobicContact CG2-CD1 4.31Å; V1048-F1095 HydrophobicContact CG2-CE1 4.15Å; V1093-F1095 HydrophobicContact CB-CE2 4.4Å; V1093-F1095 HydrophobicContact CG1-CD2 3.98Å; V1093-F1095 HydrophobicContact CG1-CE2 3.53Å; V1093-F1095 HydrophobicContact CG1-CZ 4.12Å; F1095-L1108 HydrophobicContact CD2-CD2 4.02Å; F1095-L1108 HydrophobicContact CE2-CD1 4.1Å; F1095-L1108 HydrophobicContact CE2-CD2 3.74Å; F1095-Q1112 HydrophobicContact CD1-CG 4.21Å; F1095-Q1112 HydrophobicContact CD2-CG 4.26Å; F1095-Q1112 HydrophobicContact CE1-CB 4.19Å; F1095-Q1112 HydrophobicContact CE1-CG 3.78Å; F1095-Q1112 HydrophobicContact CE2-CB 3.82Å; F1095-Q1112 HydrophobicContact CE2-CG 3.85Å; F1095-Q1112 HydrophobicContact CG-CG 4.43Å; F1095-Q1112 HydrophobicContact CZ-CB 3.54Å; F1095-Q1112 HydrophobicContact CZ-CG 3.6Å; F1095-L1115 HydrophobicContact CE1-CD2 4.08Å; F1095-V1116 HydrophobicContact CZ-CG2 4.15Å
1096T75.2Confident79Confident98 Ų9858.8 Ų58.860%0.60132%0.318SS*.SBendtrans-129.274.8-169.251.70000110.2S1094 A1100S1094-T1096 PolarHBondContact OG-N 3.41Å; T1096-A1100 WeakPolarHBondContact O-CB 3.25Å
1097G65.7Low79.1Confident24 Ų2464.3 Ų64.325%0.24734%0.344CS..  trans79.8156.9174.200000115.5E1050 S1094 S1099 A1100E1050-G1097 VanDerWaalsContact O-CA 3.3Å; E1050-G1097 WeakPolarHBondContact O-CA 3.28Å; E1050-G1097 PolarHBondContact O-N 3.05Å; S1094-G1097 PolarHBondContact OG-O 3.39Å; S1094-G1097 VanDerWaalsContact OG-O 3.13Å; G1097-S1099 PolarHBondContact O-N 3.35Å; G1097-A1100 PolarHBondContact O-N 3.03Å
1098D61.6Low79.1Confident110 Ų11059.8 Ų59.859%0.58832%0.321SS*.THydrogen-bonded Turntrans-64.5-18-177-90.1-28.6000114.3
1099S60.5Low79.2Confident124 Ų12462.8 Ų62.887%0.86734%0.342SS*.THydrogen-bonded Turntrans-110.12.9-174.235.40000115G1097G1097-S1099 PolarHBondContact O-N 3.35Å
1100A64.2Low78.9Confident34 Ų3464.5 Ų64.528%0.28136%0.361SS..SBendtrans-82151.8175.900000113.1T1096 G1097 M1102T1096-A1100 WeakPolarHBondContact O-CB 3.25Å; G1097-A1100 PolarHBondContact O-N 3.03Å; A1100-M1102 PolarHBondContact O-N 2.56Å
1101D70.2Confident78.8Confident151 Ų15165 Ų6581%0.80737%0.366SS*.PPolyproline II helixtrans-55.6122.1178.2-74.7-28.9000111.4R1103D1101-R1103 PolarHBondContact O-N 3.23Å
1102M79.3Confident78.7Confident57 Ų5767.2 Ų67.228%0.28138%0.376SS..PPolyproline II helixtrans-69.2126.2175.7-69-167.5173.200110.4R1052 E1054 R1092 A1100R1052-M1102 HydrophobicContact CG-CE 3.9Å; E1054-M1102 HydrophobicContact CG-CE 4.18Å; E1054-M1102 HydrophobicContact CG-SD 3.95Å; R1092-M1102 HydrophobicContact CB-CB 4.1Å; R1092-M1102 HydrophobicContact CB-SD 3.76Å; A1100-M1102 PolarHBondContact O-N 2.56Å
1103R81.1Confident78.7Confident129 Ų12963.9 Ų63.949%0.48737%0.365SS..EExtended strand (participates in β ladder)trans-97.2150.4-177.9-61.2-175.7-175.3176.71.3111.5V1093 D1101 Q1107 L1108V1093-R1103 PolarHBondContact N-O 3.18Å; V1093-R1103 PolarHBondContact O-N 2.61Å; D1101-R1103 PolarHBondContact O-N 3.23Å; R1103-Q1107 HydrophobicContact CB-CB 4.43Å; R1103-L1108 HydrophobicContact CB-CD2 4.48Å
1104D81.5Confident78.6Confident95 Ų9564 Ų6451%0.50837%0.365SS..EExtended strand (participates in β ladder)trans-77.1156.8168.5-89.1-33.3000111.4N1106 Q1107D1104-N1106 VanDerWaalsContact C-N 3.25Å; D1104-N1106 PolarHBondContact O-N 3.15Å; D1104-N1106 VanDerWaalsContact O-N 3.12Å; D1104-Q1107 PolarHBondContact O-N 3.09Å; D1104-Q1107 VanDerWaalsContact O-N 3.07Å
1105M81.4Confident78.7Confident8 Ų863.8 Ų63.84%0.03936%0.364CS..G310 helixtrans-53.1-36.2-176.7-79.1-60.5105.100115.1A148 I1091 V1093 Q1107 L1108 K1113 V1116A148-M1105 HydrophobicContact CB-SD 4.07Å; A148-M1105 WeakPolarHBondContact O-CG 3.46Å; I1091-M1105 HydrophobicContact CB-CE 4.1Å; I1091-M1105 HydrophobicContact CB-CG 4.18Å; I1091-M1105 HydrophobicContact CD1-CG 4.44Å; I1091-M1105 HydrophobicContact CG2-CE 3.71Å; I1091-M1105 HydrophobicContact CG2-SD 4.47Å; V1093-M1105 HydrophobicContact CB-CE 4.16Å; V1093-M1105 HydrophobicContact CG2-CE 3.29Å; M1105-Q1107 PolarHBondContact O-N 3.28Å; M1105-L1108 HydrophobicContact CE-CD1 3.28Å; M1105-L1108 HydrophobicContact CE-CG 4.48Å; M1105-L1108 PolarHBondContact O-N 3.26Å; M1105-L1108 HydrophobicContact SD-CD1 3.91Å; M1105-K1113 WeakPolarHBondContact O-CE 3.48Å; M1105-V1116 HydrophobicContact CE-CG1 3.92Å; M1105-V1116 HydrophobicContact CE-CG2 4.27Å; M1105-V1116 HydrophobicContact SD-CB 4.37Å; M1105-V1116 HydrophobicContact SD-CG1 3.79Å
1106N79.5Confident79Confident132 Ų13262.5 Ų62.571%0.70636%0.358SS*.G310 helixtrans-65.9-23.2-176.5-71.2-16.3000112.9D1104D1104-N1106 VanDerWaalsContact C-N 3.25Å; D1104-N1106 PolarHBondContact O-N 3.15Å; D1104-N1106 VanDerWaalsContact O-N 3.12Å
1107Q81.5Confident79.6Confident125 Ų12557.9 Ų57.958%0.58433%0.33SS*.G310 helixtrans-90.30.5-175.7-59.1174.4-2.100114.1R1103 D1104 M1105R1103-Q1107 HydrophobicContact CB-CB 4.43Å; D1104-Q1107 PolarHBondContact O-N 3.09Å; D1104-Q1107 VanDerWaalsContact O-N 3.07Å; M1105-Q1107 PolarHBondContact O-N 3.28Å
1108L83.6Confident80.7Confident10 Ų1056.7 Ų56.75%0.05232%0.318CS..SBendtrans-93.4155-177.8-64.5178.7000113.3V1093 F1095 R1103 M1105 Q1112 K1113 V1116V1093-L1108 HydrophobicContact CB-CD1 4.4Å; F1095-L1108 HydrophobicContact CD2-CD2 4.02Å; F1095-L1108 HydrophobicContact CE2-CD1 4.1Å; F1095-L1108 HydrophobicContact CE2-CD2 3.74Å; R1103-L1108 HydrophobicContact CB-CD2 4.48Å; M1105-L1108 HydrophobicContact CE-CD1 3.28Å; M1105-L1108 HydrophobicContact CE-CG 4.48Å; M1105-L1108 PolarHBondContact O-N 3.26Å; M1105-L1108 HydrophobicContact SD-CD1 3.91Å; L1108-Q1112 HydrophobicContact CB-CB 4.06Å; L1108-K1113 HydrophobicContact CB-CG 3.93Å; L1108-K1113 WeakPolarHBondContact O-CE 3.37Å; L1108-K1113 PolarHBondContact O-NZ 2.53Å; L1108-K1113 VanDerWaalsContact O-NZ 3.08Å; L1108-V1116 HydrophobicContact CD1-CG2 4.27Å
1109S85.5Confident82Confident63 Ų6351.5 Ų51.544%0.44129%0.29SS..  trans-69.4162.2173.887.20000112.2G1111 Q1112 K1113S1109-G1111 VanDerWaalsContact C-N 3.32Å; S1109-G1111 PolarHBondContact O-N 2.65Å; S1109-Q1112 PolarHBondContact O-N 3.47Å; S1109-Q1112 WeakPolarHBondContact OG-CG 3.38Å; S1109-Q1112 PolarHBondContact OG-N 3.17Å; S1109-K1113 WeakPolarHBondContact O-CB 3.23Å; S1109-K1113 WeakPolarHBondContact O-CG 3.48Å; S1109-K1113 PolarHBondContact O-N 2.76Å
1110G82.4Confident83.4Confident42 Ų4246.1 Ų46.143%0.43325%0.252SS..Hα-helixtrans-58.8-40.3178.300000113.7S1114G1110-S1114 PolarHBondContact O-N 3.32Å; G1110-S1114 PolarHBondContact O-OG 3.27Å
1111G84.3Confident84.5Confident16 Ų1644.5 Ų44.517%0.16524%0.238CC..Hα-helixtrans-67.3-42.2175.200000112.6S1109 K1113 S1114 L1115 A1141S1109-G1111 VanDerWaalsContact C-N 3.32Å; S1109-G1111 PolarHBondContact O-N 2.65Å; G1111-K1113 PolarHBondContact O-N 3.42Å; G1111-S1114 PolarHBondContact O-N 2.6Å; G1111-L1115 PolarHBondContact O-N 3.27Å; G1111-A1141 WeakPolarHBondContact CA-O 3.23Å
1112Q87.3Confident85.4Confident50 Ų5037.4 Ų37.423%0.23420%0.2CC..Hα-helixtrans-62.4-43.7175.1-72.7174.6-23.300112F1095 L1108 S1109 S1114 L1115 V1116F1095-Q1112 HydrophobicContact CD1-CG 4.21Å; F1095-Q1112 HydrophobicContact CD2-CG 4.26Å; F1095-Q1112 HydrophobicContact CE1-CB 4.19Å; F1095-Q1112 HydrophobicContact CE1-CG 3.78Å; F1095-Q1112 HydrophobicContact CE2-CB 3.82Å; F1095-Q1112 HydrophobicContact CE2-CG 3.85Å; F1095-Q1112 HydrophobicContact CG-CG 4.43Å; F1095-Q1112 HydrophobicContact CZ-CB 3.54Å; F1095-Q1112 HydrophobicContact CZ-CG 3.6Å; L1108-Q1112 HydrophobicContact CB-CB 4.06Å; S1109-Q1112 PolarHBondContact O-N 3.47Å; S1109-Q1112 WeakPolarHBondContact OG-CG 3.38Å; S1109-Q1112 PolarHBondContact OG-N 3.17Å; Q1112-S1114 VanDerWaalsContact C-N 3.32Å; Q1112-S1114 PolarHBondContact O-N 2.96Å; Q1112-L1115 PolarHBondContact O-N 3.06Å; Q1112-V1116 VanDerWaalsContact O-CG2 3.3Å; Q1112-V1116 WeakPolarHBondContact O-CG2 3.05Å; Q1112-V1116 PolarHBondContact O-N 3.36Å
1113K87.7Confident85.9Confident41 Ų4134.7 Ų34.718%0.17819%0.187CC..Hα-helixtrans-60-42.4175.2-74.3168.9174.4161.10111.8T145 T149 M1105 L1108 S1109 G1111 V1116 A1117T145-K1113 HydrophobicContact CG2-CB 4.2Å; T149-K1113 HydrophobicContact CG2-CD 4.12Å; M1105-K1113 WeakPolarHBondContact O-CE 3.48Å; L1108-K1113 HydrophobicContact CB-CG 3.93Å; L1108-K1113 WeakPolarHBondContact O-CE 3.37Å; L1108-K1113 PolarHBondContact O-NZ 2.53Å; L1108-K1113 VanDerWaalsContact O-NZ 3.08Å; S1109-K1113 WeakPolarHBondContact O-CB 3.23Å; S1109-K1113 WeakPolarHBondContact O-CG 3.48Å; S1109-K1113 PolarHBondContact O-N 2.76Å; G1111-K1113 PolarHBondContact O-N 3.42Å; K1113-V1116 PolarHBondContact O-N 3.19Å; K1113-A1117 WeakPolarHBondContact O-CB 3.43Å; K1113-A1117 PolarHBondContact O-N 2.55Å
1114S86.9Confident86.2Confident3 Ų328.7 Ų28.72%0.02116%0.164CC..Hα-helixtrans-65.2-41.2178.2-55.80000111.4T145 G1110 G1111 Q1112 A1117 L1118T145-S1114 WeakPolarHBondContact CG2-OG 3.28Å; G1110-S1114 PolarHBondContact O-N 3.32Å; G1110-S1114 PolarHBondContact O-OG 3.27Å; G1111-S1114 PolarHBondContact O-N 2.6Å; Q1112-S1114 VanDerWaalsContact C-N 3.32Å; Q1112-S1114 PolarHBondContact O-N 2.96Å; S1114-A1117 PolarHBondContact O-N 3.35Å; S1114-L1118 WeakPolarHBondContact O-CG 3.26Å; S1114-L1118 PolarHBondContact O-N 3.5Å
1115L89.3Confident86.4Confident1 Ų124.2 Ų24.21%0.00514%0.14CC..Hα-helixtrans-65.1-41.1175.8-167.868.9000112.3L1047 V1048 F1095 G1111 Q1112 L1118 T1119 L1142 Y1146 V1150L1047-L1115 HydrophobicContact CB-CD1 4.41Å; L1047-L1115 HydrophobicContact CD1-CD1 4.16Å; V1048-L1115 HydrophobicContact CG2-CD2 3.38Å; F1095-L1115 HydrophobicContact CE1-CD2 4.08Å; G1111-L1115 PolarHBondContact O-N 3.27Å; Q1112-L1115 PolarHBondContact O-N 3.06Å; L1115-L1118 PolarHBondContact O-N 3.34Å; L1115-T1119 WeakPolarHBondContact O-CB 3.19Å; L1115-T1119 PolarHBondContact O-N 3.13Å; L1115-T1119 PolarHBondContact O-OG1 3.48Å; L1115-L1142 HydrophobicContact CB-CD2 4.18Å; L1115-L1142 HydrophobicContact CD1-CD2 4.35Å; L1115-Y1146 HydrophobicContact CD1-CD1 4.46Å; L1115-Y1146 HydrophobicContact CD1-CG 4.47Å; L1115-Y1146 HydrophobicContact CD2-CD1 3.76Å; L1115-Y1146 HydrophobicContact CD2-CE1 3.9Å; L1115-Y1146 HydrophobicContact CD2-CG 4.15Å; L1115-V1150 HydrophobicContact CD1-CG2 4.23Å
1116V89.7Confident86.5Confident0 Ų028.3 Ų28.30%016%0.158CC..Hα-helixtrans-63.9-42.3175.4171.30000111A148 F1040 F1044 I1091 V1093 F1095 M1105 L1108 Q1112 K1113 T1119 L1120A148-V1116 HydrophobicContact CB-CG1 4.29Å; F1040-V1116 HydrophobicContact CE2-CG1 4.43Å; F1040-V1116 HydrophobicContact CZ-CG1 4.12Å; F1044-V1116 HydrophobicContact CE2-CG2 4.07Å; I1091-V1116 HydrophobicContact CD1-CG1 4.42Å; I1091-V1116 HydrophobicContact CG2-CG1 4.05Å; V1093-V1116 HydrophobicContact CG1-CG2 4.17Å; V1093-V1116 HydrophobicContact CG2-CG1 4.44Å; V1093-V1116 HydrophobicContact CG2-CG2 4.02Å; F1095-V1116 HydrophobicContact CZ-CG2 4.15Å; M1105-V1116 HydrophobicContact CE-CG1 3.92Å; M1105-V1116 HydrophobicContact CE-CG2 4.27Å; M1105-V1116 HydrophobicContact SD-CB 4.37Å; M1105-V1116 HydrophobicContact SD-CG1 3.79Å; L1108-V1116 HydrophobicContact CD1-CG2 4.27Å; Q1112-V1116 VanDerWaalsContact O-CG2 3.3Å; Q1112-V1116 WeakPolarHBondContact O-CG2 3.05Å; Q1112-V1116 PolarHBondContact O-N 3.36Å; K1113-V1116 PolarHBondContact O-N 3.19Å; V1116-T1119 WeakPolarHBondContact O-CB 3.24Å; V1116-T1119 PolarHBondContact O-N 2.84Å; V1116-L1120 PolarHBondContact O-N 3.45Å
1117A88.1Confident86.7Confident0 Ų023.5 Ų23.50%013%0.134CC..Hα-helixtrans-62.5-45.1175.900000112.3I144 L147 A148 K1113 S1114 T1119 L1120 I1121I144-A1117 HydrophobicContact CG1-CB 3.99Å; I144-A1117 WeakPolarHBondContact O-CB 3.46Å; L147-A1117 HydrophobicContact CB-CB 4.47Å; A148-A1117 HydrophobicContact CB-CB 3.97Å; K1113-A1117 WeakPolarHBondContact O-CB 3.43Å; K1113-A1117 PolarHBondContact O-N 2.55Å; S1114-A1117 PolarHBondContact O-N 3.35Å; A1117-T1119 VanDerWaalsContact C-N 3.33Å; A1117-T1119 PolarHBondContact O-N 3.12Å; A1117-L1120 WeakPolarHBondContact O-CB 3.37Å; A1117-L1120 PolarHBondContact O-N 3.28Å; A1117-I1121 WeakPolarHBondContact O-CG1 3.11Å; A1117-I1121 PolarHBondContact O-N 3.36Å
1118L88.4Confident86.6Confident0 Ų020.1 Ų20.10%012%0.12CC..Hα-helixtrans-60.9-43.3175.1-78.1168.6000112I144 S1114 L1115 L1120 I1121 F1122 I1138 L1142 V1150I144-L1118 HydrophobicContact CD1-CD1 4.21Å; I144-L1118 HydrophobicContact CD1-CD2 3.58Å; I144-L1118 HydrophobicContact CD1-CG 3.58Å; S1114-L1118 WeakPolarHBondContact O-CG 3.26Å; S1114-L1118 PolarHBondContact O-N 3.5Å; L1115-L1118 PolarHBondContact O-N 3.34Å; L1118-L1120 VanDerWaalsContact C-N 3.28Å; L1118-L1120 PolarHBondContact O-N 3.43Å; L1118-I1121 PolarHBondContact O-N 2.59Å; L1118-F1122 HydrophobicContact CB-CD2 4.48Å; L1118-F1122 HydrophobicContact CB-CE2 4.21Å; L1118-F1122 HydrophobicContact CD2-CE2 4.41Å; L1118-F1122 HydrophobicContact CD2-CZ 4.49Å; L1118-F1122 WeakPolarHBondContact O-CD2 3.06Å; L1118-F1122 WeakPolarHBondContact O-CG 2.84Å; L1118-F1122 PolarHBondContact O-N 3.48Å; L1118-I1138 HydrophobicContact CD2-CB 4.28Å; L1118-I1138 HydrophobicContact CD2-CD1 3.69Å; L1118-L1142 HydrophobicContact CD1-CD1 3.77Å; L1118-V1150 HydrophobicContact CD1-CG1 4.45Å; L1118-V1150 HydrophobicContact CD1-CG2 4.07Å
1119T90.3Very high86.3Confident0 Ų021.8 Ų21.80%013%0.132CC..Hα-helixtrans-57.5-44.2175.5-550000110.6F1040 I1043 F1044 L1047 L1115 V1116 A1117 F1122 A1123F1040-T1119 HydrophobicContact CD2-CG2 3.49Å; F1040-T1119 VanDerWaalsContact CD2-CG2 3.49Å; F1040-T1119 HydrophobicContact CE2-CG2 3.62Å; F1040-T1119 HydrophobicContact CG-CG2 4.2Å; F1040-T1119 HydrophobicContact CZ-CG2 4.43Å; F1040-T1119 WeakPolarHBondContact O-CG2 3.38Å; I1043-T1119 HydrophobicContact CB-CG2 4.14Å; I1043-T1119 HydrophobicContact CG2-CG2 3.88Å; F1044-T1119 HydrophobicContact CB-CG2 3.73Å; F1044-T1119 HydrophobicContact CD2-CG2 4.04Å; F1044-T1119 HydrophobicContact CG-CG2 4.41Å; L1047-T1119 WeakPolarHBondContact CD1-OG1 2.94Å; L1115-T1119 WeakPolarHBondContact O-CB 3.19Å; L1115-T1119 PolarHBondContact O-N 3.13Å; L1115-T1119 PolarHBondContact O-OG1 3.48Å; V1116-T1119 WeakPolarHBondContact O-CB 3.24Å; V1116-T1119 PolarHBondContact O-N 2.84Å; A1117-T1119 VanDerWaalsContact C-N 3.33Å; A1117-T1119 PolarHBondContact O-N 3.12Å; T1119-F1122 PolarHBondContact O-N 3.45Å; T1119-A1123 VanDerWaalsContact O-CB 3.26Å; T1119-A1123 WeakPolarHBondContact O-CB 3.43Å; T1119-A1123 PolarHBondContact O-N 3.49Å
1120L89Confident86.1Confident12 Ų1218.9 Ų18.96%0.06311%0.112CC..Hα-helixtrans-64-43.3177.5-175.363.4000111.9V1036 F1040 L1055 V1116 A1117 L1118 A1123 I1124V1036-L1120 HydrophobicContact CG1-CD1 4.34Å; F1040-L1120 HydrophobicContact CD2-CB 4.25Å; F1040-L1120 HydrophobicContact CD2-CD1 4.24Å; F1040-L1120 HydrophobicContact CE2-CB 4.04Å; F1040-L1120 HydrophobicContact CE2-CD1 4.48Å; L1055-L1120 HydrophobicContact CD1-CD1 4.19Å; L1055-L1120 HydrophobicContact CD2-CD1 4.4Å; V1116-L1120 PolarHBondContact O-N 3.45Å; A1117-L1120 WeakPolarHBondContact O-CB 3.37Å; A1117-L1120 PolarHBondContact O-N 3.28Å; L1118-L1120 VanDerWaalsContact C-N 3.28Å; L1118-L1120 PolarHBondContact O-N 3.43Å; L1120-A1123 PolarHBondContact O-N 3.07Å; L1120-I1124 HydrophobicContact CD1-CD1 4.49Å; L1120-I1124 HydrophobicContact CG-CD1 4.22Å; L1120-I1124 WeakPolarHBondContact O-CG1 3.44Å; L1120-I1124 PolarHBondContact O-N 3.49Å
1121I87.9Confident85.9Confident0 Ų017.2 Ų17.20%09%0.093CC..Hα-helixtrans-62.3-47.4177.3-66.9162.2000110.6V139 L147 A1117 L1118 A1123 I1124 Q1125 Y1133 F1135V139-I1121 HydrophobicContact CG2-CD1 3.65Å; L147-I1121 HydrophobicContact CD1-CD1 4.09Å; L147-I1121 HydrophobicContact CD1-CG1 4.23Å; A1117-I1121 WeakPolarHBondContact O-CG1 3.11Å; A1117-I1121 PolarHBondContact O-N 3.36Å; L1118-I1121 PolarHBondContact O-N 2.59Å; I1121-A1123 VanDerWaalsContact C-N 3.29Å; I1121-A1123 PolarHBondContact O-N 3.39Å; I1121-I1124 PolarHBondContact O-N 2.59Å; I1121-Q1125 WeakPolarHBondContact O-CB 2.71Å; I1121-Q1125 PolarHBondContact O-N 3.12Å; I1121-Y1133 HydrophobicContact CG2-CE1 4.44Å; I1121-F1135 HydrophobicContact CG2-CE1 4.04Å; I1121-F1135 HydrophobicContact CG2-CZ 3.92Å
1122F88.4Confident86.1Confident1 Ų116.5 Ų16.50%0.0049%0.085CC..Hα-helixtrans-65.7-33177.3-65.6-46.1000112.4I1043 L1118 T1119 Q1125 K1126 F1135 V1150 M1153 I1154 L1157 F1163I1043-F1122 VanDerWaalsContact CD1-C 3.43Å; I1043-F1122 HydrophobicContact CD1-CB 3.8Å; I1043-F1122 WeakPolarHBondContact CD1-O 3.23Å; I1043-F1122 HydrophobicContact CG2-CB 4.12Å; I1043-F1122 HydrophobicContact CG2-CD2 4.46Å; L1118-F1122 HydrophobicContact CB-CD2 4.48Å; L1118-F1122 HydrophobicContact CB-CE2 4.21Å; L1118-F1122 HydrophobicContact CD2-CE2 4.41Å; L1118-F1122 HydrophobicContact CD2-CZ 4.49Å; L1118-F1122 WeakPolarHBondContact O-CD2 3.06Å; L1118-F1122 WeakPolarHBondContact O-CG 2.84Å; L1118-F1122 PolarHBondContact O-N 3.48Å; T1119-F1122 PolarHBondContact O-N 3.45Å; F1122-Q1125 PolarHBondContact O-N 3.03Å; F1122-K1126 PolarHBondContact O-N 3.22Å; F1122-F1135 AromaticContact CE1-CE2 3.94Å; F1122-F1135 HydrophobicContact CE1-CE2 3.94Å; F1122-F1135 HydrophobicContact CE1-CZ 4.25Å; F1122-F1135 HydrophobicContact CZ-CE2 4.31Å; F1122-V1150 HydrophobicContact CE2-CG1 4.32Å; F1122-V1150 HydrophobicContact CZ-CG1 4.3Å; F1122-M1153 HydrophobicContact CD2-CG 4.08Å; F1122-M1153 HydrophobicContact CE2-CG 4.21Å; F1122-M1153 HydrophobicContact CG-CG 4.36Å; F1122-I1154 HydrophobicContact CE1-CG1 4.28Å; F1122-I1154 HydrophobicContact CZ-CG1 3.97Å; F1122-L1157 HydrophobicContact CB-CD1 4.37Å; F1122-L1157 HydrophobicContact CD1-CD1 3.64Å; F1122-L1157 HydrophobicContact CE1-CD1 4.17Å; F1122-L1157 HydrophobicContact CG-CD1 4.17Å; F1122-F1163 HydrophobicContact CE1-CE1 4.22Å
1123A89.5Confident86.2Confident0 Ų014.1 Ų14.10%07%0.074CC..Hα-helixtrans-66.5-39.4175.400000112.4V1036 N1039 F1040 I1043 T1119 L1120 I1121 C1127V1036-A1123 HydrophobicContact CG1-CB 4.28Å; N1039-A1123 HydrophobicContact CB-CB 3.97Å; N1039-A1123 PolarHBondContact ND2-O 2.57Å; F1040-A1123 HydrophobicContact CB-CB 3.8Å; F1040-A1123 HydrophobicContact CD2-CB 4.38Å; I1043-A1123 HydrophobicContact CD1-CB 4.12Å; T1119-A1123 VanDerWaalsContact O-CB 3.26Å; T1119-A1123 WeakPolarHBondContact O-CB 3.43Å; T1119-A1123 PolarHBondContact O-N 3.49Å; L1120-A1123 PolarHBondContact O-N 3.07Å; I1121-A1123 VanDerWaalsContact C-N 3.29Å; I1121-A1123 PolarHBondContact O-N 3.39Å; A1123-C1127 PolarHBondContact O-N 3.43Å
1124I87.5Confident86.2Confident4 Ų412.2 Ų12.22%0.0217%0.066CC..Hα-helixtrans-66.4-46.3172.2-68.2167.8000109.7Y136 L158 V162 V1036 L1120 I1121 K1126 C1127 D1128Y136-I1124 HydrophobicContact CD2-CG2 3.67Å; Y136-I1124 HydrophobicContact CE2-CG2 3.49Å; Y136-I1124 VanDerWaalsContact CE2-CG2 3.49Å; Y136-I1124 HydrophobicContact CG-CG2 4.32Å; L158-I1124 HydrophobicContact CD2-CD1 3.9Å; L158-I1124 HydrophobicContact CG-CD1 4.37Å; V162-I1124 HydrophobicContact CG1-CG2 4.04Å; V162-I1124 HydrophobicContact CG2-CD1 4.42Å; V162-I1124 HydrophobicContact CG2-CG1 4.49Å; V162-I1124 HydrophobicContact CG2-CG2 3.64Å; V1036-I1124 HydrophobicContact CG1-CG1 4.23Å; V1036-I1124 HydrophobicContact CG2-CG1 4.48Å; L1120-I1124 HydrophobicContact CD1-CD1 4.49Å; L1120-I1124 HydrophobicContact CG-CD1 4.22Å; L1120-I1124 WeakPolarHBondContact O-CG1 3.44Å; L1120-I1124 PolarHBondContact O-N 3.49Å; I1121-I1124 PolarHBondContact O-N 2.59Å; I1124-K1126 VanDerWaalsContact C-N 3.31Å; I1124-K1126 PolarHBondContact O-N 3.13Å; I1124-C1127 WeakPolarHBondContact O-CA 2.86Å; I1124-C1127 WeakPolarHBondContact O-CB 3.14Å; I1124-C1127 PolarHBondContact O-N 2.74Å; I1124-D1128 PolarHBondContact O-N 3.43Å
1125Q85.8Confident86.4Confident0 Ų012 Ų120%07%0.065CC..Hα-helixtrans-56.1-43178.7177.4-82.6-27.800112.7I1121 F1122 C1127 D1128 P1129 Y1133 L1157 E1160I1121-Q1125 WeakPolarHBondContact O-CB 2.71Å; I1121-Q1125 PolarHBondContact O-N 3.12Å; F1122-Q1125 PolarHBondContact O-N 3.03Å; Q1125-C1127 PolarHBondContact O-N 2.84Å; Q1125-D1128 CarbonylContact O-C 3.57Å; Q1125-P1129 VanDerWaalsContact O-CA 3.3Å; Q1125-P1129 WeakPolarHBondContact O-CA 3.45Å; Q1125-Y1133 VanDerWaalsContact CA-OH 3.3Å; Q1125-Y1133 WeakPolarHBondContact CA-OH 3.44Å; Q1125-Y1133 HydrophobicContact CB-CE1 4.09Å; Q1125-Y1133 HydrophobicContact CB-CE2 4.2Å; Q1125-Y1133 WeakPolarHBondContact CB-OH 3.49Å; Q1125-Y1133 HydrophobicContact CG-CD2 4.4Å; Q1125-Y1133 HydrophobicContact CG-CE1 4.2Å; Q1125-Y1133 HydrophobicContact CG-CE2 3.41Å; Q1125-Y1133 VanDerWaalsContact CG-CE2 3.41Å; Q1125-Y1133 WeakPolarHBondContact CG-OH 2.9Å; Q1125-L1157 VanDerWaalsContact OE1-CD2 3.28Å; Q1125-E1160 PolarHBondContact NE2-OE2 3.26Å
1126K84.2Confident86.4Confident95 Ų9512.5 Ų12.541%0.4137%0.067SC..Hα-helixtrans-68.2-23.9176.6-80.3-157.6175.3-171.10113.8N1039 I1043 F1122 I1124 L1157N1039-K1126 HydrophobicContact CB-CB 4.46Å; N1039-K1126 WeakPolarHBondContact ND2-CB 3.44Å; I1043-K1126 HydrophobicContact CD1-CD 4.1Å; I1043-K1126 HydrophobicContact CD1-CG 4.37Å; F1122-K1126 PolarHBondContact O-N 3.22Å; I1124-K1126 VanDerWaalsContact C-N 3.31Å; I1124-K1126 PolarHBondContact O-N 3.13Å; K1126-L1157 HydrophobicContact CG-CD2 4.15Å
1127C82.6Confident86.3Confident30 Ų3013.6 Ų13.620%0.2037%0.073CC..Hα-helixtrans-85.7-45.1178.9-169.50000110.9Q1035 V1036 A1123 I1124 Q1125Q1035-C1127 PolarHBondContact OE1-SG 2.98Å; V1036-C1127 HydrophobicContact CG2-CB 3.86Å; A1123-C1127 PolarHBondContact O-N 3.43Å; I1124-C1127 WeakPolarHBondContact O-CA 2.86Å; I1124-C1127 WeakPolarHBondContact O-CB 3.14Å; I1124-C1127 PolarHBondContact O-N 2.74Å; Q1125-C1127 PolarHBondContact O-N 2.84Å
1128D79.3Confident86.2Confident54 Ų5413.9 Ų13.929%0.2897%0.074SC..SBendtrans-137.595.3-178.2178.938.9000109.4Y136 V162 I1124 Q1125 A1130Y136-D1128 PolarHBondContact OH-OD2 2.89Å; V162-D1128 HydrophobicContact CG1-CB 4.03Å; I1124-D1128 PolarHBondContact O-N 3.43Å; Q1125-D1128 CarbonylContact O-C 3.57Å; D1128-A1130 PolarHBondContact O-N 3.4Å
1129P78.4Confident86.1Confident46 Ų4614 Ų1430%0.2998%0.075SC..  trans-73.5100.6-174.127.2-32.4000111R88 Q1125R88-P1129 PolarHBondContact NH1-O 3.32Å; R88-P1129 VanDerWaalsContact NH1-O 3.12Å; R88-P1129 PolarHBondContact NH2-O 3.22Å; Q1125-P1129 VanDerWaalsContact O-CA 3.3Å; Q1125-P1129 WeakPolarHBondContact O-CA 3.45Å
1130A80.2Confident85.6Confident2 Ų217.2 Ų17.22%0.01710%0.101CC..  trans-57.3144.5166.800000110.6Y136 Y137 D1128 F1132 Y1133Y136-A1130 HydrophobicContact CE2-CB 4.37Å; Y137-A1130 HydrophobicContact CD1-CB 4.46Å; Y137-A1130 HydrophobicContact CG-CB 4.31Å; D1128-A1130 PolarHBondContact O-N 3.4Å; A1130-F1132 VanDerWaalsContact C-N 3.25Å; A1130-F1132 PolarHBondContact O-N 3.21Å; A1130-Y1133 HydrophobicContact CB-CE1 4.13Å; A1130-Y1133 HydrophobicContact CB-CE2 4.01Å; A1130-Y1133 VanDerWaalsContact CB-OH 3.29Å; A1130-Y1133 WeakPolarHBondContact CB-OH 3.33Å; A1130-Y1133 PolarHBondContact N-OH 3.04Å; A1130-Y1133 VanDerWaalsContact N-OH 3.11Å
1131P79.9Confident85.3Confident7 Ų719.1 Ų19.15%0.04512%0.119CC..SBendtrans-58.8-33.6-175.2-20.929000114.4M1 F130 Q1162M1-P1131 HydrophobicContact CE-CB 3.26Å; M1-P1131 HydrophobicContact CE-CG 3.05Å; F130-P1131 HydrophobicContact CE1-CB 4.48Å; F130-P1131 HydrophobicContact CE1-CG 3.88Å; F130-P1131 HydrophobicContact CE2-CG 4.35Å; F130-P1131 HydrophobicContact CZ-CB 4.25Å; F130-P1131 HydrophobicContact CZ-CG 3.72Å; P1131-Q1162 PolarHBondContact O-N 3.34Å
1132F87.4Confident85.2Confident0 Ų019.3 Ų19.30%012%0.12CC..EExtended strand (participates in β ladder)trans-152.8160.4175.856.3-96.9000110.8I3 L49 F82 F130 Y137 A1130 L1134 Q1162I3-F1132 HydrophobicContact CD1-CB 4.46Å; I3-F1132 HydrophobicContact CD1-CD1 3.64Å; I3-F1132 HydrophobicContact CD1-CD2 3.76Å; I3-F1132 HydrophobicContact CD1-CE1 3.75Å; I3-F1132 HydrophobicContact CD1-CE2 3.91Å; I3-F1132 HydrophobicContact CD1-CG 3.67Å; I3-F1132 HydrophobicContact CD1-CZ 3.93Å; I3-F1132 HydrophobicContact CG1-CD1 3.57Å; I3-F1132 HydrophobicContact CG1-CE1 3.74Å; I3-F1132 HydrophobicContact CG1-CG 4.05Å; I3-F1132 HydrophobicContact CG1-CZ 4.4Å; L49-F1132 HydrophobicContact CD1-CE1 4.3Å; L49-F1132 HydrophobicContact CD1-CE2 3.8Å; L49-F1132 HydrophobicContact CD1-CZ 3.29Å; L49-F1132 HydrophobicContact CD2-CZ 4.35Å; L49-F1132 HydrophobicContact CG-CZ 4.4Å; F82-F1132 HydrophobicContact CE1-CE1 4.12Å; F130-F1132 HydrophobicContact CD1-CZ 4.43Å; F130-F1132 HydrophobicContact CE1-CD1 4.35Å; F130-F1132 AromaticContact CE1-CE1 3.43Å; F130-F1132 HydrophobicContact CE1-CE1 3.43Å; F130-F1132 VanDerWaalsContact CE1-CE1 3.43Å; F130-F1132 HydrophobicContact CE1-CE2 4.39Å; F130-F1132 AromaticContact CE1-CZ 3.4Å; F130-F1132 HydrophobicContact CE1-CZ 3.4Å; F130-F1132 VanDerWaalsContact CE1-CZ 3.4Å; F130-F1132 HydrophobicContact CZ-CD1 4.43Å; F130-F1132 AromaticContact CZ-CE1 3.48Å; F130-F1132 HydrophobicContact CZ-CE1 3.48Å; F130-F1132 VanDerWaalsContact CZ-CE1 3.48Å; F130-F1132 AromaticContact CZ-CZ 3.87Å; F130-F1132 HydrophobicContact CZ-CZ 3.87Å; Y137-F1132 HydrophobicContact CD2-CE2 4.23Å; Y137-F1132 HydrophobicContact CE2-CE2 4.44Å; A1130-F1132 VanDerWaalsContact C-N 3.25Å; A1130-F1132 PolarHBondContact O-N 3.21Å; F1132-L1134 HydrophobicContact CD2-CD2 4.14Å; F1132-L1134 HydrophobicContact CD2-CG 4.07Å; F1132-L1134 HydrophobicContact CE2-CD1 4.31Å; F1132-L1134 HydrophobicContact CE2-CG 4.25Å; F1132-Q1162 CarbonylContact C-O 3.57Å; F1132-Q1162 WeakPolarHBondContact CA-O 3.27Å; F1132-Q1162 HydrophobicContact CB-CB 3.9Å; F1132-Q1162 HydrophobicContact CB-CG 4.41Å
1133Y88.8Confident85.1Confident1 Ų124.6 Ų24.60%0.00415%0.148CC..EExtended strand (participates in β ladder)trans-125.3129.3177.9-69.4-87.8000110.4Y137 I1121 Q1125 A1130 F1135 A1161 Q1162 F1163 I1164Y137-Y1133 WeakPolarHBondContact O-CA 3Å; I1121-Y1133 HydrophobicContact CG2-CE1 4.44Å; Q1125-Y1133 VanDerWaalsContact CA-OH 3.3Å; Q1125-Y1133 WeakPolarHBondContact CA-OH 3.44Å; Q1125-Y1133 HydrophobicContact CB-CE1 4.09Å; Q1125-Y1133 HydrophobicContact CB-CE2 4.2Å; Q1125-Y1133 WeakPolarHBondContact CB-OH 3.49Å; Q1125-Y1133 HydrophobicContact CG-CD2 4.4Å; Q1125-Y1133 HydrophobicContact CG-CE1 4.2Å; Q1125-Y1133 HydrophobicContact CG-CE2 3.41Å; Q1125-Y1133 VanDerWaalsContact CG-CE2 3.41Å; Q1125-Y1133 WeakPolarHBondContact CG-OH 2.9Å; A1130-Y1133 HydrophobicContact CB-CE1 4.13Å; A1130-Y1133 HydrophobicContact CB-CE2 4.01Å; A1130-Y1133 VanDerWaalsContact CB-OH 3.29Å; A1130-Y1133 WeakPolarHBondContact CB-OH 3.33Å; A1130-Y1133 PolarHBondContact N-OH 3.04Å; A1130-Y1133 VanDerWaalsContact N-OH 3.11Å; Y1133-F1135 HydrophobicContact CD1-CE1 4.11Å; Y1133-F1135 AromaticContact CD1-CZ 3.94Å; Y1133-F1135 HydrophobicContact CD1-CZ 3.94Å; Y1133-F1135 HydrophobicContact CG-CZ 4.19Å; Y1133-A1161 HydrophobicContact CD2-CB 3.86Å; Y1133-A1161 HydrophobicContact CE2-CB 3.69Å; Y1133-Q1162 PolarHBondContact N-O 3.31Å; Y1133-F1163 HydrophobicContact CD2-CD1 4.38Å; Y1133-F1163 AromaticContact CD2-CE1 3.86Å; Y1133-F1163 HydrophobicContact CD2-CE1 3.86Å; Y1133-F1163 AromaticContact CD2-CZ 3.99Å; Y1133-F1163 HydrophobicContact CD2-CZ 3.99Å; Y1133-F1163 HydrophobicContact CG-CD1 4.26Å; Y1133-F1163 AromaticContact CG-CE1 3.87Å; Y1133-F1163 HydrophobicContact CG-CE1 3.87Å; Y1133-F1163 HydrophobicContact CG-CZ 4.46Å; Y1133-I1164 PolarHBondContact O-N 3.37Å
1134L89.3Confident84.8Confident0 Ų027 Ų270%017%0.168CC..EExtended strand (participates in β ladder)trans-108.4107.7176.2-54.4178.8000108.6F42 I45 Y137 I138 V139 F1132 I1164F42-L1134 HydrophobicContact CD1-CB 3.84Å; F42-L1134 HydrophobicContact CE1-CB 3.76Å; I45-L1134 HydrophobicContact CB-CD1 4.03Å; I45-L1134 HydrophobicContact CD1-CD2 4.2Å; I45-L1134 HydrophobicContact CG2-CD1 3.42Å; I45-L1134 VanDerWaalsContact CG2-CD1 3.42Å; I45-L1134 HydrophobicContact CG2-CD2 4.35Å; I45-L1134 HydrophobicContact CG2-CG 4.49Å; Y137-L1134 PolarHBondContact O-N 3.38Å; I138-L1134 HydrophobicContact CD1-CD1 4.1Å; I138-L1134 HydrophobicContact CG1-CB 4.47Å; I138-L1134 HydrophobicContact CG1-CD1 3.92Å; I138-L1134 HydrophobicContact CG1-CG 4.4Å; I138-L1134 HydrophobicContact CG2-CB 4.36Å; I138-L1134 HydrophobicContact CG2-CD1 4.31Å; V139-L1134 PolarHBondContact N-O 3.39Å; F1132-L1134 HydrophobicContact CD2-CD2 4.14Å; F1132-L1134 HydrophobicContact CD2-CG 4.07Å; F1132-L1134 HydrophobicContact CE2-CD1 4.31Å; F1132-L1134 HydrophobicContact CE2-CG 4.25Å; L1134-I1164 WeakPolarHBondContact CA-O 3.23Å; L1134-I1164 HydrophobicContact CD2-CB 3.8Å; L1134-I1164 HydrophobicContact CD2-CD1 3.85Å; L1134-I1164 HydrophobicContact CD2-CG1 4.19Å; L1134-I1164 HydrophobicContact CD2-CG2 4.39Å
1135F90.3Very high84.7Confident0 Ų033.8 Ų33.80%020%0.199CC..EExtended strand (participates in β ladder)trans-112.3109.4178.8-65.4-26.3000112V139 I1121 F1122 Y1133 I1138 F1163 I1164 T1165 T1166V139-F1135 HydrophobicContact CB-CD1 3.91Å; V139-F1135 HydrophobicContact CB-CE1 4.49Å; V139-F1135 HydrophobicContact CG2-CD1 3.58Å; V139-F1135 HydrophobicContact CG2-CE1 3.67Å; I1121-F1135 HydrophobicContact CG2-CE1 4.04Å; I1121-F1135 HydrophobicContact CG2-CZ 3.92Å; F1122-F1135 AromaticContact CE1-CE2 3.94Å; F1122-F1135 HydrophobicContact CE1-CE2 3.94Å; F1122-F1135 HydrophobicContact CE1-CZ 4.25Å; F1122-F1135 HydrophobicContact CZ-CE2 4.31Å; Y1133-F1135 HydrophobicContact CD1-CE1 4.11Å; Y1133-F1135 AromaticContact CD1-CZ 3.94Å; Y1133-F1135 HydrophobicContact CD1-CZ 3.94Å; Y1133-F1135 HydrophobicContact CG-CZ 4.19Å; F1135-I1138 HydrophobicContact CB-CB 4.46Å; F1135-I1138 HydrophobicContact CB-CD1 3.82Å; F1135-I1138 HydrophobicContact CB-CG1 4.04Å; F1135-I1138 HydrophobicContact CB-CG2 3.6Å; F1135-I1138 HydrophobicContact CD1-CG2 4.34Å; F1135-I1138 HydrophobicContact CD2-CD1 3.64Å; F1135-I1138 HydrophobicContact CE2-CD1 4.38Å; F1135-I1138 HydrophobicContact CG-CD1 3.86Å; F1135-I1138 HydrophobicContact CG-CG2 4.09Å; F1135-F1163 HydrophobicContact CD2-CD1 4.15Å; F1135-F1163 AromaticContact CE2-CD1 3.71Å; F1135-F1163 HydrophobicContact CE2-CD1 3.71Å; F1135-F1163 AromaticContact CE2-CE1 3.67Å; F1135-F1163 HydrophobicContact CE2-CE1 3.67Å; F1135-F1163 HydrophobicContact CZ-CD1 4.49Å; F1135-F1163 HydrophobicContact CZ-CE1 4.19Å; F1135-I1164 PolarHBondContact N-O 2.68Å; F1135-T1165 HydrophobicContact CB-CG2 3.94Å; F1135-T1165 HydrophobicContact CD2-CG2 4.04Å; F1135-T1165 HydrophobicContact CG-CG2 4.44Å; F1135-T1165 CarbonylContact O-C 3.58Å; F1135-T1165 VanDerWaalsContact O-CA 3.27Å; F1135-T1165 WeakPolarHBondContact O-CA 3.38Å; F1135-T1166 PolarHBondContact O-N 3.15Å
1136D89.3Confident84.7Confident11 Ų1136.1 Ų36.16%0.05921%0.209CC..EExtended strand (participates in β ladder)trans-97.2107.2179.2-16321.6000111F42 V139 I1138 T1166F42-D1136 HydrophobicContact CD1-CB 4.04Å; F42-D1136 HydrophobicContact CE1-CB 4.27Å; V139-D1136 WeakPolarHBondContact O-CB 2.98Å; V139-D1136 PolarHBondContact O-N 2.97Å; D1136-I1138 VanDerWaalsContact C-N 3.28Å; D1136-I1138 PolarHBondContact O-N 3.04Å; D1136-T1166 VanDerWaalsContact CA-OG1 3.22Å; D1136-T1166 WeakPolarHBondContact CA-OG1 3.23Å; D1136-T1166 PolarHBondContact OD1-OG1 2.71Å
1137E87.2Confident84.9Confident23 Ų2332.9 Ų32.911%0.10719%0.194CC..SBendtrans51.640.5174.7-59.8177.5-16800114.7Q141 D1139 A1140 T1166 F1168Q141-E1137 HydrophobicContact CG-CB 4.4Å; Q141-E1137 PolarHBondContact NE2-OE2 3.47Å; E1137-D1139 PolarHBondContact O-N 2.58Å; E1137-D1139 VanDerWaalsContact O-N 3.11Å; E1137-A1140 PolarHBondContact O-N 3.11Å; E1137-T1166 PolarHBondContact N-O 2.6Å; E1137-T1166 PolarHBondContact N-OG1 3.2Å; E1137-F1168 HydrophobicContact CG-CD2 4.39Å; E1137-F1168 HydrophobicContact CG-CE2 4.05Å; E1137-F1168 WeakPolarHBondContact OE1-CE2 3.21Å
1138I86.6Confident85.1Confident5 Ų536.9 Ų36.93%0.02621%0.208CC..THydrogen-bonded Turntrans-66.5-13.5-175.559.2162000114.1V139 I144 L1118 F1135 D1136 V1150V139-I1138 HydrophobicContact CB-CG2 4.21Å; V139-I1138 HydrophobicContact CG1-CG2 3.87Å; I144-I1138 HydrophobicContact CD1-CB 3.72Å; I144-I1138 HydrophobicContact CD1-CG2 3.72Å; L1118-I1138 HydrophobicContact CD2-CB 4.28Å; L1118-I1138 HydrophobicContact CD2-CD1 3.69Å; F1135-I1138 HydrophobicContact CB-CB 4.46Å; F1135-I1138 HydrophobicContact CB-CD1 3.82Å; F1135-I1138 HydrophobicContact CB-CG1 4.04Å; F1135-I1138 HydrophobicContact CB-CG2 3.6Å; F1135-I1138 HydrophobicContact CD1-CG2 4.34Å; F1135-I1138 HydrophobicContact CD2-CD1 3.64Å; F1135-I1138 HydrophobicContact CE2-CD1 4.38Å; F1135-I1138 HydrophobicContact CG-CD1 3.86Å; F1135-I1138 HydrophobicContact CG-CG2 4.09Å; D1136-I1138 VanDerWaalsContact C-N 3.28Å; D1136-I1138 PolarHBondContact O-N 3.04Å; I1138-V1150 HydrophobicContact CD1-CG1 4.49Å
1139D85.6Confident85.5Confident3 Ų335.4 Ų35.42%0.01620%0.203CC..THydrogen-bonded Turntrans-101.3-1.5-172.765.1-29.9000113.6E1137 A1141 L1142 R1147 T1167 R1169 L1172E1137-D1139 PolarHBondContact O-N 2.58Å; E1137-D1139 VanDerWaalsContact O-N 3.11Å; D1139-A1141 VanDerWaalsContact C-N 3.28Å; D1139-A1141 PolarHBondContact O-N 3.06Å; D1139-L1142 PolarHBondContact O-N 2.82Å; D1139-L1142 VanDerWaalsContact O-N 3.17Å; D1139-R1147 HydrophobicContact CB-CG 4.02Å; D1139-T1167 WeakPolarHBondContact OD2-CB 3.46Å; D1139-T1167 PolarHBondContact OD2-OG1 2.5Å; D1139-R1169 VanDerWaalsContact OD2-CB 3.26Å; D1139-R1169 WeakPolarHBondContact OD2-CB 2.98Å; D1139-R1169 VanDerWaalsContact OD2-CG 3.31Å; D1139-R1169 WeakPolarHBondContact OD2-CG 3.15Å; D1139-L1172 HydrophobicContact CB-CD1 4.15Å
1140A81.1Confident86Confident68 Ų6833.2 Ų33.256%0.56219%0.189SC*.THydrogen-bonded Turntrans-57.3-36.4-176.900000113.9E1137E1137-A1140 PolarHBondContact O-N 3.11Å
1141A82.1Confident86.3Confident52 Ų5233.3 Ų33.343%0.4319%0.19SC..THydrogen-bonded Turntrans-100.16.7-177.600000114G1111 D1139G1111-A1141 WeakPolarHBondContact CA-O 3.23Å; D1139-A1141 VanDerWaalsContact C-N 3.28Å; D1139-A1141 PolarHBondContact O-N 3.06Å
1142L85.5Confident86.7Confident4 Ų436.2 Ų36.22%0.02121%0.205CC..  trans-99.8141.2-176.5-62.2-179.7000111.7L1115 L1118 D1139 R1147 V1150L1115-L1142 HydrophobicContact CB-CD2 4.18Å; L1115-L1142 HydrophobicContact CD1-CD2 4.35Å; L1118-L1142 HydrophobicContact CD1-CD1 3.77Å; D1139-L1142 PolarHBondContact O-N 2.82Å; D1139-L1142 VanDerWaalsContact O-N 3.17Å; L1142-R1147 HydrophobicContact CB-CG 3.74Å; L1142-R1147 PolarHBondContact O-NE 2.89Å; L1142-R1147 PolarHBondContact O-NH2 2.77Å; L1142-V1150 HydrophobicContact CD1-CG2 4.05Å
1143D85.8Confident86.7Confident111 Ų11136.4 Ų36.459%0.59421%0.206SC*.  trans-71.2158.6169.6-66.2-35.6000111.2Q1145 Y1146 R1147D1143-Q1145 PolarHBondContact O-N 3.11Å; D1143-Y1146 HydrophobicContact CB-CD2 4.16Å; D1143-Y1146 PolarHBondContact O-N 3.3Å; D1143-R1147 PolarHBondContact O-N 3.16Å
1144A84.1Confident86.7Confident51 Ų5136.3 Ų36.342%0.42121%0.205SC..Hα-helixtrans-55.3-37.4-176.600000112.9R1147 K1148A1144-R1147 PolarHBondContact O-N 3.39Å; A1144-K1148 PolarHBondContact O-N 3.49Å
1145Q85.4Confident86.6Confident146 Ų14641.7 Ų41.768%0.68223%0.229SC*.Hα-helixtrans-60.2-47.1175.4-177-180-1.800112D1143 A1149D1143-Q1145 PolarHBondContact O-N 3.11Å; Q1145-A1149 PolarHBondContact O-N 3.21Å
1146Y86.5Confident86.4Confident49 Ų4945.4 Ų45.419%0.19225%0.248CC..Hα-helixtrans-73.8-34.1179.4-62.9-50000112.3V1048 L1115 D1143 K1148 A1149 V1150V1048-Y1146 HydrophobicContact CG2-CE1 3.95Å; L1115-Y1146 HydrophobicContact CD1-CD1 4.46Å; L1115-Y1146 HydrophobicContact CD1-CG 4.47Å; L1115-Y1146 HydrophobicContact CD2-CD1 3.76Å; L1115-Y1146 HydrophobicContact CD2-CE1 3.9Å; L1115-Y1146 HydrophobicContact CD2-CG 4.15Å; D1143-Y1146 HydrophobicContact CB-CD2 4.16Å; D1143-Y1146 PolarHBondContact O-N 3.3Å; Y1146-K1148 VanDerWaalsContact C-N 3.34Å; Y1146-K1148 PolarHBondContact O-N 3.5Å; Y1146-A1149 PolarHBondContact O-N 3.41Å; Y1146-V1150 VanDerWaalsContact O-CG2 3.31Å; Y1146-V1150 WeakPolarHBondContact O-CG2 3.2Å; Y1146-V1150 PolarHBondContact O-N 2.65Å
1147R88Confident86.2Confident28 Ų2845.1 Ų45.111%0.10625%0.247CC..Hα-helixtrans-59.4-45.3173-77.7-172.8-112.9124.76.4111.9D1139 L1142 D1143 A1144 V1150 A1151 E1171D1139-R1147 HydrophobicContact CB-CG 4.02Å; L1142-R1147 HydrophobicContact CB-CG 3.74Å; L1142-R1147 PolarHBondContact O-NE 2.89Å; L1142-R1147 PolarHBondContact O-NH2 2.77Å; D1143-R1147 PolarHBondContact O-N 3.16Å; A1144-R1147 PolarHBondContact O-N 3.39Å; R1147-V1150 PolarHBondContact O-N 2.71Å; R1147-A1151 WeakPolarHBondContact O-CB 3.31Å; R1147-A1151 PolarHBondContact O-N 3.4Å; R1147-E1171 HydrophobicContact CB-CB 4.08Å; R1147-E1171 HydrophobicContact CB-CG 4.29Å; R1147-E1171 IonicContact CZ-OE1 2.63Å; R1147-E1171 IonicContact CZ-OE2 3.23Å; R1147-E1171 IonicContact NH1-OE1 3.63Å; R1147-E1171 PolarHBondContact NH1-OE1 3.35Å; R1147-E1171 IonicContact NH1-OE2 2.83Å; R1147-E1171 PolarHBondContact NH1-OE2 3.08Å
1148K87.3Confident86.1Confident113 Ų11346 Ų4649%0.49125%0.251SS..Hα-helixtrans-61.7-44.8175.9-170.8165.5-173.1164.80111.8A1144 Y1146 V1150 A1151 D1152A1144-K1148 PolarHBondContact O-N 3.49Å; Y1146-K1148 VanDerWaalsContact C-N 3.34Å; Y1146-K1148 PolarHBondContact O-N 3.5Å; K1148-V1150 VanDerWaalsContact C-N 3.33Å; K1148-V1150 PolarHBondContact O-N 2.8Å; K1148-A1151 PolarHBondContact O-N 3.06Å; K1148-D1152 PolarHBondContact O-N 3.45Å
1149A87.4Confident85.9Confident23 Ų2349.9 Ų49.919%0.1928%0.278CS..Hα-helixtrans-61.8-39.2176.900000112.8L1047 Q1145 Y1146 M1153L1047-A1149 HydrophobicContact CD2-CB 3.84Å; Q1145-A1149 PolarHBondContact O-N 3.21Å; Y1146-A1149 PolarHBondContact O-N 3.41Å; A1149-M1153 PolarHBondContact O-N 3.17Å
1150V88.2Confident85.8Confident1 Ų155.7 Ų55.71%0.00631%0.305CS..Hα-helixtrans-67.9-41.8174.41710000111.1L1047 L1115 L1118 F1122 I1138 L1142 Y1146 R1147 K1148 D1152 M1153 I1154L1047-V1150 HydrophobicContact CD2-CG2 4.04Å; L1115-V1150 HydrophobicContact CD1-CG2 4.23Å; L1118-V1150 HydrophobicContact CD1-CG1 4.45Å; L1118-V1150 HydrophobicContact CD1-CG2 4.07Å; F1122-V1150 HydrophobicContact CE2-CG1 4.32Å; F1122-V1150 HydrophobicContact CZ-CG1 4.3Å; I1138-V1150 HydrophobicContact CD1-CG1 4.49Å; L1142-V1150 HydrophobicContact CD1-CG2 4.05Å; Y1146-V1150 VanDerWaalsContact O-CG2 3.31Å; Y1146-V1150 WeakPolarHBondContact O-CG2 3.2Å; Y1146-V1150 PolarHBondContact O-N 2.65Å; R1147-V1150 PolarHBondContact O-N 2.71Å; K1148-V1150 VanDerWaalsContact C-N 3.33Å; K1148-V1150 PolarHBondContact O-N 2.8Å; V1150-D1152 VanDerWaalsContact C-N 3.35Å; V1150-D1152 PolarHBondContact O-N 3.42Å; V1150-M1153 WeakPolarHBondContact O-CB 3.43Å; V1150-M1153 PolarHBondContact O-N 3.28Å; V1150-I1154 HydrophobicContact CG1-CD1 4.01Å; V1150-I1154 HydrophobicContact CG1-CG1 4.49Å; V1150-I1154 WeakPolarHBondContact O-CG1 3.19Å; V1150-I1154 PolarHBondContact O-N 3.14Å
1151A87.7Confident86Confident4 Ų452.7 Ų52.73%0.03328%0.28CS..Hα-helixtrans-62.2-41.617700000112R1147 K1148 M1153 I1154 K1155 E1171 L1172R1147-A1151 WeakPolarHBondContact O-CB 3.31Å; R1147-A1151 PolarHBondContact O-N 3.4Å; K1148-A1151 PolarHBondContact O-N 3.06Å; A1151-M1153 VanDerWaalsContact C-N 3.35Å; A1151-I1154 PolarHBondContact O-N 3.12Å; A1151-K1155 WeakPolarHBondContact O-CB 3.38Å; A1151-K1155 PolarHBondContact O-N 3.33Å; A1151-E1171 WeakPolarHBondContact CB-O 3.16Å; A1151-L1172 HydrophobicContact CB-CD1 4.49Å
1152D87.7Confident86.4Confident68 Ų6850.3 Ų50.336%0.36426%0.26SS..Hα-helixtrans-64.6-38.2173.6-74-27.3000111.6K1148 V1150 K1155 D1156K1148-D1152 PolarHBondContact O-N 3.45Å; V1150-D1152 VanDerWaalsContact C-N 3.35Å; V1150-D1152 PolarHBondContact O-N 3.42Å; D1152-K1155 WeakPolarHBondContact O-CB 3.39Å; D1152-K1155 PolarHBondContact O-N 3.39Å; D1152-D1156 PolarHBondContact O-N 3.37Å; D1152-D1156 VanDerWaalsContact O-N 3.15Å
1153M87.2Confident86.7Confident3 Ų350.1 Ų50.12%0.01526%0.259CS..Hα-helixtrans-64.9-44.7174.8-168.268.865.600112I1043 R1046 L1047 F1122 A1149 V1150 A1151 K1155 D1156 L1157I1043-M1153 HydrophobicContact CG2-CE 3.92Å; R1046-M1153 HydrophobicContact CB-CE 4.03Å; R1046-M1153 HydrophobicContact CG-CE 3.8Å; L1047-M1153 HydrophobicContact CD2-CE 4.33Å; L1047-M1153 HydrophobicContact CG-CE 4.25Å; F1122-M1153 HydrophobicContact CD2-CG 4.08Å; F1122-M1153 HydrophobicContact CE2-CG 4.21Å; F1122-M1153 HydrophobicContact CG-CG 4.36Å; A1149-M1153 PolarHBondContact O-N 3.17Å; V1150-M1153 WeakPolarHBondContact O-CB 3.43Å; V1150-M1153 PolarHBondContact O-N 3.28Å; A1151-M1153 VanDerWaalsContact C-N 3.35Å; M1153-K1155 VanDerWaalsContact C-N 3.27Å; M1153-K1155 PolarHBondContact O-N 3.4Å; M1153-D1156 PolarHBondContact O-N 3.4Å; M1153-L1157 HydrophobicContact CG-CD1 3.92Å; M1153-L1157 WeakPolarHBondContact O-CG 3.32Å; M1153-L1157 PolarHBondContact O-N 3.32Å; M1153-L1157 HydrophobicContact SD-CD1 4.45Å
1154I87.8Confident86.9Confident0 Ų044.9 Ų44.90%023%0.231CC..Hα-helixtrans-61.5-40175.8-67.9169000110.1F1122 V1150 A1151 D1156 L1157 K1158 F1163 L1172F1122-I1154 HydrophobicContact CE1-CG1 4.28Å; F1122-I1154 HydrophobicContact CZ-CG1 3.97Å; V1150-I1154 HydrophobicContact CG1-CD1 4.01Å; V1150-I1154 HydrophobicContact CG1-CG1 4.49Å; V1150-I1154 WeakPolarHBondContact O-CG1 3.19Å; V1150-I1154 PolarHBondContact O-N 3.14Å; A1151-I1154 PolarHBondContact O-N 3.12Å; I1154-D1156 VanDerWaalsContact C-N 3.25Å; I1154-D1156 PolarHBondContact O-N 2.67Å; I1154-L1157 PolarHBondContact O-N 3.14Å; I1154-K1158 WeakPolarHBondContact O-CB 3.48Å; I1154-K1158 PolarHBondContact O-N 3.45Å; I1154-F1163 HydrophobicContact CG2-CB 4.3Å; I1154-F1163 HydrophobicContact CG2-CD1 4.36Å; I1154-F1163 HydrophobicContact CG2-CD2 4.28Å; I1154-F1163 HydrophobicContact CG2-CG 4.05Å; I1154-L1172 HydrophobicContact CD1-CD2 4.25Å
1155K87.2Confident87.3Confident113 Ų11342.4 Ų42.449%0.49121%0.211SC..Hα-helixtrans-59.3-36.6177.4-171179.8176.4-179.90112.8A1151 D1152 M1153 K1158A1151-K1155 WeakPolarHBondContact O-CB 3.38Å; A1151-K1155 PolarHBondContact O-N 3.33Å; D1152-K1155 WeakPolarHBondContact O-CB 3.39Å; D1152-K1155 PolarHBondContact O-N 3.39Å; M1153-K1155 VanDerWaalsContact C-N 3.27Å; M1153-K1155 PolarHBondContact O-N 3.4Å; K1155-K1158 WeakPolarHBondContact O-CG 3.43Å
1156D86.5Confident87.5Confident77 Ų7735.5 Ų35.541%0.41218%0.179SC..Hα-helixtrans-77.1-36.2177.5-78.48.6000112.6R1046 D1152 M1153 I1154 S1159R1046-D1156 IonicContact CZ-OD2 3.51Å; R1046-D1156 IonicContact NH1-OD2 3.02Å; R1046-D1156 PolarHBondContact NH1-OD2 3.17Å; R1046-D1156 IonicContact NH2-OD2 3.52Å; R1046-D1156 PolarHBondContact NH2-OD2 2.73Å; D1152-D1156 PolarHBondContact O-N 3.37Å; D1152-D1156 VanDerWaalsContact O-N 3.15Å; M1153-D1156 PolarHBondContact O-N 3.4Å; I1154-D1156 VanDerWaalsContact C-N 3.25Å; I1154-D1156 PolarHBondContact O-N 2.67Å; D1156-S1159 PolarHBondContact O-OG 3.03Å
1157L86.3Confident87.6Confident5 Ų533.2 Ų33.23%0.02617%0.17CC..Hα-helixtrans-84-16.4-176.2-65.9174.7000113.6F1122 Q1125 K1126 M1153 I1154 S1159 E1160 A1161 F1163F1122-L1157 HydrophobicContact CB-CD1 4.37Å; F1122-L1157 HydrophobicContact CD1-CD1 3.64Å; F1122-L1157 HydrophobicContact CE1-CD1 4.17Å; F1122-L1157 HydrophobicContact CG-CD1 4.17Å; Q1125-L1157 VanDerWaalsContact OE1-CD2 3.28Å; K1126-L1157 HydrophobicContact CG-CD2 4.15Å; M1153-L1157 HydrophobicContact CG-CD1 3.92Å; M1153-L1157 WeakPolarHBondContact O-CG 3.32Å; M1153-L1157 PolarHBondContact O-N 3.32Å; M1153-L1157 HydrophobicContact SD-CD1 4.45Å; I1154-L1157 PolarHBondContact O-N 3.14Å; L1157-S1159 PolarHBondContact O-N 3.3Å; L1157-E1160 PolarHBondContact O-N 3.33Å; L1157-A1161 PolarHBondContact O-N 2.89Å; L1157-F1163 HydrophobicContact CB-CE2 3.85Å; L1157-F1163 HydrophobicContact CB-CZ 3.87Å
1158K84.1Confident87.4Confident43 Ų4333.7 Ų33.719%0.18717%0.173CC..THydrogen-bonded Turntrans-62.2-16.8-17677.3-176.9-177.8143.60114.8H26 H27 I1154 K1155 E1160 F1163 E1177H26-K1158 WeakPolarHBondContact CA-O 3.32Å; H26-K1158 HydrophobicContact CB-CB 4.14Å; H26-K1158 HydrophobicContact CB-CD 4.25Å; H26-K1158 HydrophobicContact CB-CG 4.15Å; H26-K1158 PolarHBondContact ND1-O 2.61Å; H27-K1158 HydrophobicContact CB-CB 4.17Å; H27-K1158 HydrophobicContact CB-CD 4.26Å; I1154-K1158 WeakPolarHBondContact O-CB 3.48Å; I1154-K1158 PolarHBondContact O-N 3.45Å; K1155-K1158 WeakPolarHBondContact O-CG 3.43Å; K1158-E1160 VanDerWaalsContact C-N 3.32Å; K1158-F1163 HydrophobicContact CB-CD2 4.33Å; K1158-E1177 IonicContact NZ-OE1 2.71Å; K1158-E1177 PolarHBondContact NZ-OE1 2.74Å
1159S83.1Confident87.3Confident86 Ų8632.5 Ų32.560%0.60117%0.165SC*.THydrogen-bonded Turntrans-75.1-23.2175.451.40000112.9D1156 L1157D1156-S1159 PolarHBondContact O-OG 3.03Å; L1157-S1159 PolarHBondContact O-N 3.3Å
1160E82.2Confident87.3Confident125 Ų12533.8 Ų33.858%0.58417%0.171SC*.THydrogen-bonded Turntrans-99.2-30-175.6-63.4179.917400113Q1125 L1157 K1158Q1125-E1160 PolarHBondContact NE2-OE2 3.26Å; L1157-E1160 PolarHBondContact O-N 3.33Å; K1158-E1160 VanDerWaalsContact C-N 3.32Å
1161A85.8Confident87.2Confident5 Ų535.5 Ų35.54%0.04118%0.179CC..SBendtrans-144.1152.4-177.700000111.6Y1133 L1157 F1163Y1133-A1161 HydrophobicContact CD2-CB 3.86Å; Y1133-A1161 HydrophobicContact CE2-CB 3.69Å; L1157-A1161 PolarHBondContact O-N 2.89Å; A1161-F1163 HydrophobicContact CB-CE2 4.29Å; A1161-F1163 VanDerWaalsContact O-CD2 3.32Å; A1161-F1163 WeakPolarHBondContact O-CD2 2.95Å
1162Q90.5Very high87.1Confident2 Ų235.3 Ų35.31%0.00918%0.178CC..EExtended strand (participates in β ladder)trans-77.8129.6174.9-176.7-178.145.400110.3I3 S24 P25 H26 P1131 F1132 Y1133 I1164I3-Q1162 PolarHBondContact O-NE2 3.3Å; S24-Q1162 PolarHBondContact O-NE2 3.44Å; P25-Q1162 WeakPolarHBondContact O-CA 3.44Å; P25-Q1162 WeakPolarHBondContact O-CB 2.99Å; H26-Q1162 CarbonylContact O-C 3.55Å; H26-Q1162 WeakPolarHBondContact O-CA 3.45Å; P1131-Q1162 PolarHBondContact O-N 3.34Å; F1132-Q1162 CarbonylContact C-O 3.57Å; F1132-Q1162 WeakPolarHBondContact CA-O 3.27Å; F1132-Q1162 HydrophobicContact CB-CB 3.9Å; F1132-Q1162 HydrophobicContact CB-CG 4.41Å; Y1133-Q1162 PolarHBondContact N-O 3.31Å; Q1162-I1164 HydrophobicContact CG-CG1 4.39Å
1163F91.5Very high87Confident0 Ų032.1 Ų32.10%016%0.161CC..EExtended strand (participates in β ladder)trans-110.1130.9173.8-70.9-90.2000109.9H26 H27 N28 F1122 Y1133 F1135 I1154 L1157 K1158 A1161 T1165H26-F1163 PolarHBondContact O-N 3.44Å; H27-F1163 HydrophobicContact CB-CB 4.42Å; N28-F1163 PolarHBondContact N-O 3.39Å; N28-F1163 PolarHBondContact ND2-O 3.47Å; F1122-F1163 HydrophobicContact CE1-CE1 4.22Å; Y1133-F1163 HydrophobicContact CD2-CD1 4.38Å; Y1133-F1163 AromaticContact CD2-CE1 3.86Å; Y1133-F1163 HydrophobicContact CD2-CE1 3.86Å; Y1133-F1163 AromaticContact CD2-CZ 3.99Å; Y1133-F1163 HydrophobicContact CD2-CZ 3.99Å; Y1133-F1163 HydrophobicContact CG-CD1 4.26Å; Y1133-F1163 AromaticContact CG-CE1 3.87Å; Y1133-F1163 HydrophobicContact CG-CE1 3.87Å; Y1133-F1163 HydrophobicContact CG-CZ 4.46Å; F1135-F1163 HydrophobicContact CD2-CD1 4.15Å; F1135-F1163 AromaticContact CE2-CD1 3.71Å; F1135-F1163 HydrophobicContact CE2-CD1 3.71Å; F1135-F1163 AromaticContact CE2-CE1 3.67Å; F1135-F1163 HydrophobicContact CE2-CE1 3.67Å; F1135-F1163 HydrophobicContact CZ-CD1 4.49Å; F1135-F1163 HydrophobicContact CZ-CE1 4.19Å; I1154-F1163 HydrophobicContact CG2-CB 4.3Å; I1154-F1163 HydrophobicContact CG2-CD1 4.36Å; I1154-F1163 HydrophobicContact CG2-CD2 4.28Å; I1154-F1163 HydrophobicContact CG2-CG 4.05Å; L1157-F1163 HydrophobicContact CB-CE2 3.85Å; L1157-F1163 HydrophobicContact CB-CZ 3.87Å; K1158-F1163 HydrophobicContact CB-CD2 4.33Å; A1161-F1163 HydrophobicContact CB-CE2 4.29Å; A1161-F1163 VanDerWaalsContact O-CD2 3.32Å; A1161-F1163 WeakPolarHBondContact O-CD2 2.95Å; F1163-T1165 HydrophobicContact CB-CG2 4.33Å
1164I91.5Very high86.9Confident0 Ų038 Ų380%019%0.188CC..EExtended strand (participates in β ladder)trans-123.6111.7171.8-52.7178.7000106.9I3 N28 I30 F42 Y1133 L1134 F1135 Q1162I3-I1164 HydrophobicContact CD1-CD1 4.16Å; N28-I1164 HydrophobicContact CB-CG1 4.41Å; N28-I1164 WeakPolarHBondContact O-CA 3.23Å; I30-I1164 HydrophobicContact CD1-CG2 3.79Å; I30-I1164 HydrophobicContact CG1-CG2 4.17Å; F42-I1164 HydrophobicContact CE2-CG2 4.29Å; F42-I1164 HydrophobicContact CZ-CG2 3.98Å; F42-I1164 WeakPolarHBondContact CZ-O 3.25Å; Y1133-I1164 PolarHBondContact O-N 3.37Å; L1134-I1164 WeakPolarHBondContact CA-O 3.23Å; L1134-I1164 HydrophobicContact CD2-CB 3.8Å; L1134-I1164 HydrophobicContact CD2-CD1 3.85Å; L1134-I1164 HydrophobicContact CD2-CG1 4.19Å; L1134-I1164 HydrophobicContact CD2-CG2 4.39Å; F1135-I1164 PolarHBondContact N-O 2.68Å; Q1162-I1164 HydrophobicContact CG-CG1 4.39Å
1165T91.7Very high86.7Confident0 Ų038.2 Ų38.20%019%0.19CC..EExtended strand (participates in β ladder)trans-127148.3-170.470.70000112.3H27 N28 I29 I30 F1135 F1163H27-T1165 WeakPolarHBondContact NE2-CG2 3.42Å; H27-T1165 PolarHBondContact NE2-OG1 3.12Å; N28-T1165 PolarHBondContact O-N 3.37Å; I29-T1165 CarbonylContact C-O 3.6Å; I29-T1165 WeakPolarHBondContact CA-O 3.11Å; I29-T1165 VanDerWaalsContact CG1-OG1 3.32Å; I29-T1165 WeakPolarHBondContact CG1-OG1 3.34Å; I30-T1165 PolarHBondContact N-O 3.44Å; F1135-T1165 HydrophobicContact CB-CG2 3.94Å; F1135-T1165 HydrophobicContact CD2-CG2 4.04Å; F1135-T1165 HydrophobicContact CG-CG2 4.44Å; F1135-T1165 CarbonylContact O-C 3.58Å; F1135-T1165 VanDerWaalsContact O-CA 3.27Å; F1135-T1165 WeakPolarHBondContact O-CA 3.38Å; F1163-T1165 HydrophobicContact CB-CG2 4.33Å
1166T90.1Very high86.7Confident0 Ų033.5 Ų33.50%017%0.172CC..EExtended strand (participates in β ladder)trans-113.9142.6168.458.70000109.3I30 K38 F42 F1135 D1136 E1137I30-T1166 HydrophobicContact CB-CG2 3.99Å; I30-T1166 HydrophobicContact CG2-CG2 4.45Å; I30-T1166 WeakPolarHBondContact O-CA 3.46Å; K38-T1166 HydrophobicContact CB-CG2 4.13Å; F42-T1166 HydrophobicContact CD2-CG2 4.01Å; F42-T1166 HydrophobicContact CE2-CG2 3.28Å; F42-T1166 HydrophobicContact CZ-CG2 3.69Å; F1135-T1166 PolarHBondContact O-N 3.15Å; D1136-T1166 VanDerWaalsContact CA-OG1 3.22Å; D1136-T1166 WeakPolarHBondContact CA-OG1 3.23Å; D1136-T1166 PolarHBondContact OD1-OG1 2.71Å; E1137-T1166 PolarHBondContact N-O 2.6Å; E1137-T1166 PolarHBondContact N-OG1 3.2Å
1167T87.4Confident86.8Confident1 Ų133.8 Ų33.81%0.00617%0.171CC..  trans-155.8154.5-179176.10000110.9I29 D1139 R1169 L1172 L1173I29-T1167 HydrophobicContact CG2-CG2 4.23Å; D1139-T1167 WeakPolarHBondContact OD2-CB 3.46Å; D1139-T1167 PolarHBondContact OD2-OG1 2.5Å; T1167-R1169 PolarHBondContact OG1-N 3.02Å; T1167-R1169 PolarHBondContact OG1-O 3.15Å; T1167-L1172 HydrophobicContact CG2-CB 3.96Å; T1167-L1173 HydrophobicContact CG2-CD1 4.43Å
1168F84.5Confident87Confident38 Ų3836.7 Ų36.717%0.16718%0.183CC..SBendtrans-11214.1166.7-61.5-75000112.1G32 N34 E1137 V1203 D1206G32-F1168 WeakPolarHBondContact O-CE1 3.15Å; N34-F1168 WeakPolarHBondContact OD1-CE1 3.47Å; N34-F1168 WeakPolarHBondContact OD1-CE2 3.47Å; N34-F1168 WeakPolarHBondContact OD1-CZ 3.42Å; E1137-F1168 HydrophobicContact CG-CD2 4.39Å; E1137-F1168 HydrophobicContact CG-CE2 4.05Å; E1137-F1168 WeakPolarHBondContact OE1-CE2 3.21Å; F1168-V1203 WeakPolarHBondContact O-CG1 3.37Å; F1168-D1206 WeakPolarHBondContact CD1-OD2 3.47Å; F1168-D1206 WeakPolarHBondContact CE1-OD2 3.46Å
1169R85.7Confident87.3Confident89 Ų8935.5 Ų35.534%0.33618%0.178SC..SBendtrans-122.9135.9-171-56-63.9-169-169.1-0.7109.7D1139 T1167 E1171 L1173D1139-R1169 VanDerWaalsContact OD2-CB 3.26Å; D1139-R1169 WeakPolarHBondContact OD2-CB 2.98Å; D1139-R1169 VanDerWaalsContact OD2-CG 3.31Å; D1139-R1169 WeakPolarHBondContact OD2-CG 3.15Å; T1167-R1169 PolarHBondContact OG1-N 3.02Å; T1167-R1169 PolarHBondContact OG1-O 3.15Å; R1169-E1171 VanDerWaalsContact C-N 3.25Å; R1169-E1171 VanDerWaalsContact CB-OE2 3.28Å; R1169-E1171 WeakPolarHBondContact CB-OE2 3.43Å; R1169-E1171 PolarHBondContact O-N 2.47Å; R1169-L1173 WeakPolarHBondContact O-CD1 2.93Å
1170P86.2Confident87.7Confident49 Ų4931.4 Ų31.432%0.31815%0.15SC..G310 helixtrans-67.6-24.6-171.826.7-34.5000113.2L1172 L1173 L1200P1170-L1172 VanDerWaalsContact C-N 3.35Å; P1170-L1172 PolarHBondContact O-N 3.05Å; P1170-L1173 PolarHBondContact O-N 2.51Å; P1170-L1173 VanDerWaalsContact O-N 3.17Å; P1170-L1200 HydrophobicContact CB-CD2 4.34Å
1171E86.7Confident88.1Confident38 Ų3825.5 Ų25.518%0.17812%0.122CC..G310 helixtrans-65.4-33.9-170.8-59.288.2169.300113.3R1147 A1151 R1169 L1173R1147-E1171 HydrophobicContact CB-CB 4.08Å; R1147-E1171 HydrophobicContact CB-CG 4.29Å; R1147-E1171 IonicContact CZ-OE1 2.63Å; R1147-E1171 IonicContact CZ-OE2 3.23Å; R1147-E1171 IonicContact NH1-OE1 3.63Å; R1147-E1171 PolarHBondContact NH1-OE1 3.35Å; R1147-E1171 IonicContact NH1-OE2 2.83Å; R1147-E1171 PolarHBondContact NH1-OE2 3.08Å; A1151-E1171 WeakPolarHBondContact CB-O 3.16Å; R1169-E1171 VanDerWaalsContact C-N 3.25Å; R1169-E1171 VanDerWaalsContact CB-OE2 3.28Å; R1169-E1171 WeakPolarHBondContact CB-OE2 3.43Å; R1169-E1171 PolarHBondContact O-N 2.47Å; E1171-L1173 VanDerWaalsContact C-N 3.32Å; E1171-L1173 PolarHBondContact O-N 3.27Å
1172L85.3Confident88.2Confident0 Ų025.3 Ų25.30%012%0.12CC..G310 helixtrans-71.7-25.5178.4-104.783.1000112.7I29 D1139 A1151 I1154 T1167 P1170 E1174 S1175I29-L1172 HydrophobicContact CD1-CB 4.3Å; I29-L1172 WeakPolarHBondContact CD1-O 3.4Å; D1139-L1172 HydrophobicContact CB-CD1 4.15Å; A1151-L1172 HydrophobicContact CB-CD1 4.49Å; I1154-L1172 HydrophobicContact CD1-CD2 4.25Å; T1167-L1172 HydrophobicContact CG2-CB 3.96Å; P1170-L1172 VanDerWaalsContact C-N 3.35Å; P1170-L1172 PolarHBondContact O-N 3.05Å; L1172-E1174 PolarHBondContact O-N 3.13Å; L1172-S1175 PolarHBondContact O-N 2.59Å; L1172-S1175 PolarHBondContact O-OG 2.81Å
1173L86.6Confident88.1Confident1 Ų128.1 Ų28.11%0.00513%0.132CC..G310 helixtrans-66.9-18.1-178.4-71.7109.8000113.7I29 V31 T1167 R1169 P1170 E1171 S1175 F1179 A1199 V1203I29-L1173 HydrophobicContact CD1-CG 4.3Å; V31-L1173 HydrophobicContact CG1-CD2 4.2Å; T1167-L1173 HydrophobicContact CG2-CD1 4.43Å; R1169-L1173 WeakPolarHBondContact O-CD1 2.93Å; P1170-L1173 PolarHBondContact O-N 2.51Å; P1170-L1173 VanDerWaalsContact O-N 3.17Å; E1171-L1173 VanDerWaalsContact C-N 3.32Å; E1171-L1173 PolarHBondContact O-N 3.27Å; L1173-S1175 VanDerWaalsContact C-N 3.3Å; L1173-S1175 PolarHBondContact O-N 3.28Å; L1173-F1179 HydrophobicContact CB-CE1 4.2Å; L1173-F1179 HydrophobicContact CD2-CD1 3.96Å; L1173-F1179 HydrophobicContact CD2-CE1 4.01Å; L1173-F1179 HydrophobicContact CG-CE1 4.46Å; L1173-F1179 WeakPolarHBondContact O-CE1 3.45Å; L1173-A1199 HydrophobicContact CD2-CB 3.46Å; L1173-A1199 VanDerWaalsContact CD2-CB 3.46Å; L1173-V1203 HydrophobicContact CD1-CG2 3.92Å
1174E84Confident87.9Confident125 Ų12533.1 Ų33.158%0.58415%0.154SC*.G310 helixtrans-69.7-25.7179.9-68.4-171.2169.800113.5L1172L1172-E1174 PolarHBondContact O-N 3.13Å
1175S83.7Confident87.6Confident5 Ų541.1 Ų41.14%0.03519%0.185CC..SBendtrans-99.2-7.6-173.864.80000114.5H27 L1172 L1173H27-S1175 PolarHBondContact CE1-OG 3.12Å; H27-S1175 VanDerWaalsContact CE1-OG 3.23Å; H27-S1175 PolarHBondContact ND1-O 2.82Å; H27-S1175 PolarHBondContact ND1-OG 2.55Å; H27-S1175 VanDerWaalsContact ND1-OG 3.08Å; L1172-S1175 PolarHBondContact O-N 2.59Å; L1172-S1175 PolarHBondContact O-OG 2.81Å; L1173-S1175 VanDerWaalsContact C-N 3.3Å; L1173-S1175 PolarHBondContact O-N 3.28Å
1176A86.7Confident87.2Confident15 Ų1548 Ų4812%0.12422%0.221CC..  trans-82.9152-177.300000113.7H27 I29 F1179H27-A1176 WeakPolarHBondContact ND1-CA 3.5Å; H27-A1176 PolarHBondContact ND1-N 3.26Å; I29-A1176 HydrophobicContact CB-CB 4.09Å; I29-A1176 HydrophobicContact CD1-CB 3.39Å; I29-A1176 HydrophobicContact CG1-CB 3.61Å; A1176-F1179 HydrophobicContact CB-CD1 4.29Å; A1176-F1179 HydrophobicContact CB-CE1 3.72Å; A1176-F1179 HydrophobicContact CB-CZ 4.04Å
1177E88.5Confident86.9Confident82 Ų8254 Ų5438%0.38325%0.248SC..SBendtrans-101.6-38.1175-81.1172.8-161.700113S24 H26 H27 K1158S24-E1177 PolarHBondContact OG-OE2 3.1Å; H26-E1177 WeakPolarHBondContact CB-OE2 3.4Å; H26-E1177 IonicContact CD2-OE1 2.82Å; H26-E1177 PolarHBondContact CD2-OE1 3.17Å; H26-E1177 VanDerWaalsContact CD2-OE1 3.31Å; H26-E1177 IonicContact CD2-OE2 3.16Å; H26-E1177 PolarHBondContact CD2-OE2 3.32Å; H26-E1177 IonicContact CG-OE1 3.89Å; H26-E1177 IonicContact CG-OE2 3.62Å; H27-E1177 PolarHBondContact O-N 3.37Å; K1158-E1177 IonicContact NZ-OE1 2.71Å; K1158-E1177 PolarHBondContact NZ-OE1 2.74Å
1178K90.8Very high86.9Confident67 Ų6754.2 Ų54.229%0.29125%0.248SC..EExtended strand (participates in β ladder)trans-122.4141.1175.7-76.5-169.4174.9-178.90110.6E22 H27 N28 I29 Y1180E22-K1178 PolarHBondContact O-NZ 2.67Å; H27-K1178 PolarHBondContact O-N 2.87Å; N28-K1178 WeakPolarHBondContact CA-O 3.34Å; I29-K1178 PolarHBondContact N-O 3.47Å; K1178-Y1180 HydrophobicContact CB-CE2 3.92Å
1179F91.5Very high87.1Confident18 Ų1852.4 Ų52.48%0.07924%0.24CC..EExtended strand (participates in β ladder)trans-119.7136.4179.7-49.6-90.6000108.8I29 L1173 A1176 V1194 K1196 A1199I29-F1179 HydrophobicContact CB-CD1 4.34Å; I29-F1179 CarbonylContact O-C 3.59Å; I29-F1179 WeakPolarHBondContact O-CA 3.49Å; L1173-F1179 HydrophobicContact CB-CE1 4.2Å; L1173-F1179 HydrophobicContact CD2-CD1 3.96Å; L1173-F1179 HydrophobicContact CD2-CE1 4.01Å; L1173-F1179 HydrophobicContact CG-CE1 4.46Å; L1173-F1179 WeakPolarHBondContact O-CE1 3.45Å; A1176-F1179 HydrophobicContact CB-CD1 4.29Å; A1176-F1179 HydrophobicContact CB-CE1 3.72Å; A1176-F1179 HydrophobicContact CB-CZ 4.04Å; F1179-V1194 HydrophobicContact CB-CG2 3.78Å; F1179-V1194 WeakPolarHBondContact CB-O 3.28Å; F1179-V1194 PolarHBondContact O-N 2.98Å; F1179-K1196 HydrophobicContact CD2-CB 4.19Å; F1179-K1196 HydrophobicContact CE1-CG 4.29Å; F1179-K1196 HydrophobicContact CE2-CB 3.68Å; F1179-K1196 HydrophobicContact CE2-CG 4.11Å; F1179-K1196 HydrophobicContact CZ-CB 3.9Å; F1179-K1196 HydrophobicContact CZ-CD 4.13Å; F1179-K1196 HydrophobicContact CZ-CG 3.78Å; F1179-A1199 HydrophobicContact CB-CB 4.02Å; F1179-A1199 HydrophobicContact CD1-CB 3.95Å; F1179-A1199 HydrophobicContact CG-CB 4.13Å
1180Y91.6Very high87.2Confident0 Ų051.1 Ų51.10%024%0.238CC..EExtended strand (participates in β ladder)trans-123.4127.8178-65.3-90.8000109P20 E21 E22 F23 N28 I29 I30 V31 K1178 I1191 E1192P20-Y1180 HydrophobicContact CB-CD1 4.17Å; P20-Y1180 HydrophobicContact CB-CE1 3.92Å; E21-Y1180 PolarHBondContact O-OH 3.31Å; E22-Y1180 PolarHBondContact O-OH 3.28Å; F23-Y1180 WeakPolarHBondContact CA-OH 3.35Å; F23-Y1180 HydrophobicContact CD1-CD2 4.34Å; F23-Y1180 AromaticContact CD1-CE2 3.5Å; F23-Y1180 HydrophobicContact CD1-CE2 3.5Å; F23-Y1180 VanDerWaalsContact CD1-CE2 3.5Å; F23-Y1180 AromaticContact CD1-CZ 3.66Å; F23-Y1180 AromaticContact CE1-CD2 3.95Å; F23-Y1180 HydrophobicContact CE1-CD2 3.95Å; F23-Y1180 HydrophobicContact CE1-CE1 4.34Å; F23-Y1180 AromaticContact CE1-CE2 3.52Å; F23-Y1180 HydrophobicContact CE1-CE2 3.52Å; F23-Y1180 AromaticContact CE1-CZ 3.72Å; N28-Y1180 HydrophobicContact CB-CE2 4.19Å; I29-Y1180 PolarHBondContact O-N 3.05Å; I30-Y1180 CarbonylContact C-O 3.55Å; I30-Y1180 WeakPolarHBondContact CA-O 3.36Å; V31-Y1180 WeakPolarHBondContact CG2-O 3.36Å; V31-Y1180 PolarHBondContact N-O 3.39Å; K1178-Y1180 HydrophobicContact CB-CE2 3.92Å; Y1180-I1191 HydrophobicContact CD1-CD1 4.41Å; Y1180-I1191 HydrophobicContact CD1-CG1 4.26Å; Y1180-I1191 HydrophobicContact CG-CD1 4.46Å; Y1180-E1192 CarbonylContact C-O 3.56Å; Y1180-E1192 VanDerWaalsContact CA-O 3.26Å; Y1180-E1192 WeakPolarHBondContact CA-O 3.18Å
1181G89.2Confident87.4Confident0 Ų049.3 Ų49.30%023%0.226CC..EExtended strand (participates in β ladder)trans-100125.8176.300000110.6V31 E1192V31-G1181 CarbonylContact O-C 3.49Å; V31-G1181 WeakPolarHBondContact O-CA 3.5Å; G1181-E1192 PolarHBondContact N-O 3.18Å; G1181-E1192 PolarHBondContact O-N 3.41Å
1182V89.4Confident87.4Confident1 Ų152 Ų521%0.00624%0.239CC..EExtended strand (participates in β ladder)trans-100.6113.8173.3-173.40000109.7I30 V31 S36 K38 H1190 I1191I30-V1182 HydrophobicContact CG2-CG2 3.45Å; I30-V1182 VanDerWaalsContact CG2-CG2 3.45Å; V31-V1182 PolarHBondContact O-N 3.38Å; S36-V1182 VanDerWaalsContact CB-O 3.27Å; S36-V1182 WeakPolarHBondContact CB-O 3.48Å; S36-V1182 WeakPolarHBondContact O-CG1 3.47Å; S36-V1182 PolarHBondContact OG-O 2.65Å; S36-V1182 VanDerWaalsContact OG-O 3.11Å; K38-V1182 HydrophobicContact CG-CB 4.05Å; K38-V1182 HydrophobicContact CG-CG2 4.07Å; V1182-H1190 WeakPolarHBondContact CA-O 3.48Å; V1182-I1191 HydrophobicContact CG2-CB 4.41Å; V1182-I1191 HydrophobicContact CG2-CD1 4.21Å; V1182-I1191 HydrophobicContact CG2-CG1 4.21Å
1183K87.8Confident87.6Confident62 Ų6254.6 Ų54.627%0.2726%0.256SS..EExtended strand (participates in β ladder)trans-106.3135.5177.1-65.2170.2-171.8157.60109.1H1190 E1192 F1202K1183-H1190 PolarHBondContact N-O 2.97Å; K1183-H1190 PolarHBondContact O-N 3.31Å; K1183-E1192 IonicContact NZ-OE2 3.09Å; K1183-E1192 PolarHBondContact NZ-OE2 3.4Å; K1183-F1202 HydrophobicContact CG-CZ 3.98Å
1184F87.2Confident87.8Confident104 Ų10455 Ų5546%0.45626%0.258SS..EExtended strand (participates in β ladder)trans-107.6114.3172.7-173.3-112.3000109.2K1187F1184-K1187 VanDerWaalsContact CE2-C 3.41Å; F1184-K1187 VanDerWaalsContact CZ-CA 3.43Å; F1184-K1187 HydrophobicContact CZ-CB 4.29Å
1185R85.4Confident88.1Confident169 Ų16953.1 Ų53.164%0.63826%0.256SS*.EExtended strand (participates in β ladder)trans-135.2137.9178.3-70.7-173.3177.2179.8-0.1108.8K1187 V1188R1185-K1187 VanDerWaalsContact C-N 3.25Å; R1185-K1187 PolarHBondContact O-N 3.39Å; R1185-V1188 PolarHBondContact N-O 3.35Å; R1185-V1188 PolarHBondContact O-N 3.38Å
1186N83.5Confident88.2Confident145 Ų14557.5 Ų57.578%0.77527%0.274SS*.THydrogen-bonded Turntrans53.240175.7-54.8-27.4000113.9V1188N1186-V1188 PolarHBondContact O-N 2.97Å
1187K83.4Confident88.2Confident126 Ų12658.7 Ų58.755%0.54829%0.288SS..THydrogen-bonded Turntrans62.913.4-175.4-60-173.9177.2-175.80115.9H66 T69 F1184 R1185H66-K1187 PolarHBondContact CE1-O 3.3Å; T69-K1187 HydrophobicContact CG2-CD 4.33Å; F1184-K1187 VanDerWaalsContact CE2-C 3.41Å; F1184-K1187 VanDerWaalsContact CZ-CA 3.43Å; F1184-K1187 HydrophobicContact CZ-CB 4.29Å; R1185-K1187 VanDerWaalsContact C-N 3.25Å; R1185-K1187 PolarHBondContact O-N 3.39Å
1188V87.1Confident88.1Confident4 Ų458.9 Ų58.92%0.02429%0.289CS..EExtended strand (participates in β ladder)trans-119.1134177-1760000109.3S13 R15 R1185 N1186S13-V1188 WeakPolarHBondContact O-CA 3.05Å; R15-V1188 HydrophobicContact CB-CG1 4.03Å; R15-V1188 HydrophobicContact CB-CG2 3.92Å; R1185-V1188 PolarHBondContact N-O 3.35Å; R1185-V1188 PolarHBondContact O-N 3.38Å; N1186-V1188 PolarHBondContact O-N 2.97Å
1189S89Confident87.8Confident0 Ų055.7 Ų55.70%028%0.275CS..EExtended strand (participates in β ladder)trans-85.3134.4171.6-65.40000110.2S13 Y14 S36S13-S1189 WeakPolarHBondContact CB-OG 3.49Å; S13-S1189 PolarHBondContact O-N 3.24Å; S13-S1189 WeakPolarHBondContact OG-CB 3.47Å; S13-S1189 PolarHBondContact OG-OG 2.67Å; Y14-S1189 VanDerWaalsContact CD1-O 3.26Å; Y14-S1189 WeakPolarHBondContact CD1-O 2.94Å; S36-S1189 PolarHBondContact O-OG 3.29Å
1190H87.7Confident87.5Confident62 Ų6257.5 Ų57.529%0.28729%0.285SS..EExtended strand (participates in β ladder)trans-124.1138.3172.1-58.8-70.1000109.1V1182 K1183V1182-H1190 WeakPolarHBondContact CA-O 3.48Å; K1183-H1190 PolarHBondContact N-O 2.97Å; K1183-H1190 PolarHBondContact O-N 3.31Å
1191I89.4Confident87.1Confident11 Ų1162 Ų626%0.05631%0.309CS..EExtended strand (participates in β ladder)trans-112128.3174.8-174.5162.8000108.9T18 P20 I30 F41 Y1180 V1182T18-I1191 HydrophobicContact CG2-CG2 3.58Å; P20-I1191 HydrophobicContact CB-CD1 4.42Å; P20-I1191 HydrophobicContact CB-CG1 4.36Å; P20-I1191 HydrophobicContact CB-CG2 4Å; P20-I1191 HydrophobicContact CG-CG2 4.08Å; I30-I1191 HydrophobicContact CD1-CD1 4.22Å; I30-I1191 HydrophobicContact CG2-CD1 4.37Å; F41-I1191 HydrophobicContact CD2-CD1 4.03Å; F41-I1191 HydrophobicContact CE2-CD1 3.94Å; F41-I1191 HydrophobicContact CG-CD1 4.39Å; F41-I1191 HydrophobicContact CZ-CD1 4.22Å; Y1180-I1191 HydrophobicContact CD1-CD1 4.41Å; Y1180-I1191 HydrophobicContact CD1-CG1 4.26Å; Y1180-I1191 HydrophobicContact CG-CD1 4.46Å; V1182-I1191 HydrophobicContact CG2-CB 4.41Å; V1182-I1191 HydrophobicContact CG2-CD1 4.21Å; V1182-I1191 HydrophobicContact CG2-CG1 4.21Å
1192E88.3Confident86.7Confident96 Ų9663.4 Ų63.445%0.44932%0.315SS..EExtended strand (participates in β ladder)trans-131.6150-179.4-67173.8169.800109.3Y1180 G1181 K1183Y1180-E1192 CarbonylContact C-O 3.56Å; Y1180-E1192 VanDerWaalsContact CA-O 3.26Å; Y1180-E1192 WeakPolarHBondContact CA-O 3.18Å; G1181-E1192 PolarHBondContact N-O 3.18Å; G1181-E1192 PolarHBondContact O-N 3.41Å; K1183-E1192 IonicContact NZ-OE2 3.09Å; K1183-E1192 PolarHBondContact NZ-OE2 3.4Å
1193C89Confident86.1Confident53 Ų5363.6 Ų63.636%0.35832%0.316SS..EExtended strand (participates in β ladder)trans-72131.6169-167.40000108.4E21E21-C1193 HydrophobicContact CB-CB 4.37Å; E21-C1193 HydrophobicContact CG-CB 4.33Å; E21-C1193 VanDerWaalsContact OE2-CB 3.24Å; E21-C1193 WeakPolarHBondContact OE2-CB 3.24Å; E21-C1193 PolarHBondContact OE2-SG 3.47Å
1194V90.1Very high85.4Confident10 Ų1066 Ų666%0.06133%0.329CS..EExtended strand (participates in β ladder)trans-125.2158-177.9-64.10000110.5V31 F1179 E1198 A1199 F1202V31-V1194 HydrophobicContact CG2-CG2 4.44Å; F1179-V1194 HydrophobicContact CB-CG2 3.78Å; F1179-V1194 WeakPolarHBondContact CB-O 3.28Å; F1179-V1194 PolarHBondContact O-N 2.98Å; V1194-E1198 WeakPolarHBondContact CA-OE2 3.25Å; V1194-E1198 HydrophobicContact CB-CB 4.08Å; V1194-E1198 WeakPolarHBondContact CB-OE2 3.2Å; V1194-A1199 HydrophobicContact CG2-CB 4.16Å; V1194-F1202 HydrophobicContact CG1-CE2 4.47Å
1195T90Very high84.3Confident86 Ų8663.9 Ų63.953%0.52832%0.322SS..  trans-75.3160.6173.363.40000111G1197 E1198 A1199T1195-G1197 PolarHBondContact O-N 3.24Å; T1195-E1198 PolarHBondContact N-OE2 3.42Å; T1195-E1198 PolarHBondContact O-N 3.18Å; T1195-E1198 WeakPolarHBondContact OG1-CG 2.95Å; T1195-E1198 PolarHBondContact OG1-N 3.49Å; T1195-E1198 PolarHBondContact OG1-OE2 3.32Å; T1195-E1198 VanDerWaalsContact OG1-OE2 3.1Å; T1195-A1199 WeakPolarHBondContact O-CB 3.16Å; T1195-A1199 PolarHBondContact O-N 3.31Å
1196K87.3Confident83.1Confident96 Ų9657.4 Ų57.442%0.41730%0.3SS..Hα-helixtrans-56.1-36.4174.2-174.1176.8179.5179.40112.4F1179 A1199 L1200F1179-K1196 HydrophobicContact CD2-CB 4.19Å; F1179-K1196 HydrophobicContact CE1-CG 4.29Å; F1179-K1196 HydrophobicContact CE2-CB 3.68Å; F1179-K1196 HydrophobicContact CE2-CG 4.11Å; F1179-K1196 HydrophobicContact CZ-CB 3.9Å; F1179-K1196 HydrophobicContact CZ-CD 4.13Å; F1179-K1196 HydrophobicContact CZ-CG 3.78Å; K1196-A1199 PolarHBondContact O-N 3.3Å; K1196-L1200 HydrophobicContact CG-CD1 4.37Å; K1196-L1200 WeakPolarHBondContact O-CG 3.44Å; K1196-L1200 PolarHBondContact O-N 3.22Å
1197G86Confident81.9Confident40 Ų4056.1 Ų56.141%0.41229%0.289SS..Hα-helixtrans-63.3-52.1177.300000111.7T1195 A1199 L1200 D1201T1195-G1197 PolarHBondContact O-N 3.24Å; G1197-A1199 PolarHBondContact O-N 3.46Å; G1197-L1200 WeakPolarHBondContact O-CB 3.41Å; G1197-L1200 PolarHBondContact O-N 3.42Å; G1197-L1200 VanDerWaalsContact O-N 3.12Å; G1197-D1201 PolarHBondContact O-N 3.38Å
1198E86.2Confident80.5Confident87 Ų8754.9 Ų54.941%0.40729%0.292SS..Hα-helixtrans-61-33.7175.8-68.9168.4140.400112.4V1194 T1195 D1201 F1202V1194-E1198 WeakPolarHBondContact CA-OE2 3.25Å; V1194-E1198 HydrophobicContact CB-CB 4.08Å; V1194-E1198 WeakPolarHBondContact CB-OE2 3.2Å; T1195-E1198 PolarHBondContact N-OE2 3.42Å; T1195-E1198 PolarHBondContact O-N 3.18Å; T1195-E1198 WeakPolarHBondContact OG1-CG 2.95Å; T1195-E1198 PolarHBondContact OG1-N 3.49Å; T1195-E1198 PolarHBondContact OG1-OE2 3.32Å; T1195-E1198 VanDerWaalsContact OG1-OE2 3.1Å; E1198-D1201 WeakPolarHBondContact O-CB 3.21Å; E1198-D1201 PolarHBondContact O-N 3.12Å; E1198-F1202 WeakPolarHBondContact O-CD2 3.05Å; E1198-F1202 PolarHBondContact O-N 2.85Å
1199A85Confident78.7Confident0 Ų062.2 Ų62.20%033%0.326CS..Hα-helixtrans-69.5-35.4177.100000112.9V31 L1173 F1179 V1194 T1195 K1196 G1197 V1203V31-A1199 HydrophobicContact CG2-CB 3.85Å; L1173-A1199 HydrophobicContact CD2-CB 3.46Å; L1173-A1199 VanDerWaalsContact CD2-CB 3.46Å; F1179-A1199 HydrophobicContact CB-CB 4.02Å; F1179-A1199 HydrophobicContact CD1-CB 3.95Å; F1179-A1199 HydrophobicContact CG-CB 4.13Å; V1194-A1199 HydrophobicContact CG2-CB 4.16Å; T1195-A1199 WeakPolarHBondContact O-CB 3.16Å; T1195-A1199 PolarHBondContact O-N 3.31Å; K1196-A1199 PolarHBondContact O-N 3.3Å; G1197-A1199 PolarHBondContact O-N 3.46Å; A1199-V1203 WeakPolarHBondContact O-CG2 2.99Å; A1199-V1203 PolarHBondContact O-N 2.83Å
1200L85.2Confident76.4Confident56 Ų5668.1 Ų68.129%0.29339%0.387SS..Hα-helixtrans-66-43.2169.9-78.5160.9000110.7P1170 K1196 G1197 F1202 V1203 E1204P1170-L1200 HydrophobicContact CB-CD2 4.34Å; K1196-L1200 HydrophobicContact CG-CD1 4.37Å; K1196-L1200 WeakPolarHBondContact O-CG 3.44Å; K1196-L1200 PolarHBondContact O-N 3.22Å; G1197-L1200 WeakPolarHBondContact O-CB 3.41Å; G1197-L1200 PolarHBondContact O-N 3.42Å; G1197-L1200 VanDerWaalsContact O-N 3.12Å; L1200-F1202 VanDerWaalsContact C-N 3.3Å; L1200-F1202 PolarHBondContact O-N 3.26Å; L1200-V1203 WeakPolarHBondContact O-CA 2.94Å; L1200-V1203 WeakPolarHBondContact O-CB 2.99Å; L1200-V1203 PolarHBondContact O-N 3.32Å; L1200-E1204 PolarHBondContact O-N 2.8Å
1201D83.5Confident75.8Confident94 Ų9468.5 Ų68.550%0.50339%0.392SS..Hα-helixtrans-57.6-42.9175.8-68.7-13.9000111.2G1197 E1198 V1203 E1204 D1205G1197-D1201 PolarHBondContact O-N 3.38Å; E1198-D1201 WeakPolarHBondContact O-CB 3.21Å; E1198-D1201 PolarHBondContact O-N 3.12Å; D1201-V1203 PolarHBondContact O-N 2.63Å; D1201-E1204 PolarHBondContact O-N 3.43Å; D1201-D1205 VanDerWaalsContact O-CB 3.25Å; D1201-D1205 WeakPolarHBondContact O-CB 3.34Å; D1201-D1205 PolarHBondContact O-N 3.03Å
1202F79.4Confident75.1Confident30 Ų3071.5 Ų71.513%0.13241%0.41CS..Hα-helixtrans-58.1-31.4175.4-89.5-68.3000113.7V31 R33 K1183 V1194 E1198 L1200V31-F1202 HydrophobicContact CB-CB 4.25Å; V31-F1202 HydrophobicContact CG2-CB 4.16Å; V31-F1202 HydrophobicContact CG2-CD2 4.05Å; V31-F1202 HydrophobicContact CG2-CG 4.32Å; R33-F1202 HydrophobicContact CG-CD1 4.46Å; K1183-F1202 HydrophobicContact CG-CZ 3.98Å; V1194-F1202 HydrophobicContact CG1-CE2 4.47Å; E1198-F1202 WeakPolarHBondContact O-CD2 3.05Å; E1198-F1202 PolarHBondContact O-N 2.85Å; L1200-F1202 VanDerWaalsContact C-N 3.3Å; L1200-F1202 PolarHBondContact O-N 3.26Å
1203V76.8Confident74.4Confident4 Ų470.1 Ų70.12%0.02441%0.408CS..Hα-helixtrans-84.9-37.8-178.9170.60000111.5V31 F1168 L1173 A1199 L1200 D1201V31-V1203 HydrophobicContact CG1-CG2 4.27Å; F1168-V1203 WeakPolarHBondContact O-CG1 3.37Å; L1173-V1203 HydrophobicContact CD1-CG2 3.92Å; A1199-V1203 WeakPolarHBondContact O-CG2 2.99Å; A1199-V1203 PolarHBondContact O-N 2.83Å; L1200-V1203 WeakPolarHBondContact O-CA 2.94Å; L1200-V1203 WeakPolarHBondContact O-CB 2.99Å; L1200-V1203 PolarHBondContact O-N 3.32Å; D1201-V1203 PolarHBondContact O-N 2.63Å
1204E73.2Confident73.5Confident114 Ų11471.1 Ų71.153%0.53341%0.411SS..Hα-helixtrans-74.7-36.6177.1-69.2-172.317600112.6L1200 D1201 D1206 Q1207 T1208L1200-E1204 PolarHBondContact O-N 2.8Å; D1201-E1204 PolarHBondContact O-N 3.43Å; E1204-D1206 VanDerWaalsContact C-N 3.3Å; E1204-D1206 PolarHBondContact O-N 3.04Å; E1204-Q1207 PolarHBondContact O-N 3.48Å; E1204-Q1207 VanDerWaalsContact O-N 3.13Å; E1204-T1208 PolarHBondContact O-N 3.49Å; E1204-T1208 VanDerWaalsContact O-N 3.16Å; E1204-T1208 PolarHBondContact O-OG1 3.02Å
1205D64.9Low72.5Confident58 Ų5874.9 Ų74.931%0.3143%0.432SS..Hα-helixtrans-58.1-41.5175-106.18.7000111.4R33 D1201 Q1207 T1208 H1209R33-D1205 IonicContact CZ-OD2 3.98Å; R33-D1205 IonicContact NH2-OD2 2.91Å; R33-D1205 PolarHBondContact NH2-OD2 2.87Å; D1201-D1205 VanDerWaalsContact O-CB 3.25Å; D1201-D1205 WeakPolarHBondContact O-CB 3.34Å; D1201-D1205 PolarHBondContact O-N 3.03Å; D1205-Q1207 VanDerWaalsContact C-N 3.27Å; D1205-Q1207 PolarHBondContact O-N 3.47Å; D1205-T1208 WeakPolarHBondContact CA-OG1 3.4Å; D1205-T1208 PolarHBondContact O-N 3.11Å; D1205-T1208 PolarHBondContact O-OG1 2.96Å; D1205-H1209 WeakPolarHBondContact O-CB 3.42Å; D1205-H1209 PolarHBondContact O-N 2.94Å
1206D60.1Low71.3Confident33 Ų3374.2 Ų74.218%0.17643%0.426CS..Hα-helixtrans-71.4-23.8-179.3-128.920.2000111.6N34 F1168 E1204 G1210N34-D1206 PolarHBondContact ND2-OD2 3.03Å; N34-D1206 VanDerWaalsContact ND2-OD2 3.13Å; F1168-D1206 WeakPolarHBondContact CD1-OD2 3.47Å; F1168-D1206 WeakPolarHBondContact CE1-OD2 3.46Å; E1204-D1206 VanDerWaalsContact C-N 3.3Å; E1204-D1206 PolarHBondContact O-N 3.04Å; D1206-G1210 PolarHBondContact O-N 3.1Å
1207Q58.2Low70.1Confident118 Ų11872.6 Ų72.655%0.55143%0.427SS*.Hα-helixtrans-81.3-22.5174.5-68-176.620.600113.1E1204 D1205E1204-Q1207 PolarHBondContact O-N 3.48Å; E1204-Q1207 VanDerWaalsContact O-N 3.13Å; D1205-Q1207 VanDerWaalsContact C-N 3.27Å; D1205-Q1207 PolarHBondContact O-N 3.47Å
1208T55.1Low68.9Low100 Ų10075.2 Ų75.261%0.61343%0.428SS*.Hα-helixtrans-102-20-176.849.40000113.6E1204 D1205E1204-T1208 PolarHBondContact O-N 3.49Å; E1204-T1208 VanDerWaalsContact O-N 3.16Å; E1204-T1208 PolarHBondContact O-OG1 3.02Å; D1205-T1208 WeakPolarHBondContact CA-OG1 3.4Å; D1205-T1208 PolarHBondContact O-N 3.11Å; D1205-T1208 PolarHBondContact O-OG1 2.96Å
1209H48.4Very low67.5Low158 Ų15874.2 Ų74.273%0.73143%0.43SS*.Hα-helixtrans-128.114.3-176.4-68.2-52.2000115.5D1205D1205-H1209 WeakPolarHBondContact O-CB 3.42Å; D1205-H1209 PolarHBondContact O-N 2.94Å
1210G40.2Very low65.9Low125 Ų12580.9 Ų80.9100%1.28947%0.469SS*.  trans-81.20176.200000115.4D1206D1206-G1210 PolarHBondContact O-N 3.1Å

Retrieved 1,210 of 1,210 residues in 357.8 ms (Link to these results)

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