A0A087XX96_POEFO Loading...

Structural maintenance of chromosomes protein

AlphaFold DB , UniProt , Accession A0A087XX96, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,243 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
1M66.1Low88.1Confident118 Ų11838.5 Ų38.558%0.58118%0.183SC*.  0117.70-87.7175.4162.300109.9D87 N1177M1-D87 WeakPolarHBondContact CA-OD1 3.33Å; M1-D87 PolarHBondContact N-OD1 3.5Å; M1-N1177 WeakPolarHBondContact CE-O 3.29Å
2G77.9Confident88.3Confident8 Ų835.3 Ų35.38%0.08217%0.167CC..  trans-61.5146174.800000111.4L85 D87G2-L85 CarbonylContact C-O 3.57Å; G2-L85 WeakPolarHBondContact CA-O 2.96Å; G2-D87 PolarHBondContact N-OD1 3.03Å
3Y87.3Confident88.4Confident70 Ų7034.3 Ų34.328%0.27516%0.162SC..EExtended strand (participates in β ladder)trans-147.2157.3-175.468.5-83.6000111.1K5 F84 L85Y3-K5 HydrophobicContact CE2-CB 4.41Å; Y3-K5 PolarHBondContact O-N 3.08Å; Y3-F84 WeakPolarHBondContact O-CD2 3.26Å; Y3-L85 HydrophobicContact CE1-CB 4.24Å; Y3-L85 HydrophobicContact CE1-CD2 3.59Å; Y3-L85 PolarHBondContact N-O 2.89Å; Y3-L85 PolarHBondContact O-N 3.08Å
4L90.5Very high88.4Confident1 Ų132.9 Ų32.91%0.00516%0.157CC..EExtended strand (participates in β ladder)trans-75.5117.6173.9-175.166000108.6I7 F24 L45 L82 F1148 Q1179 I1181L4-I7 HydrophobicContact CD2-CD1 4.07Å; L4-I7 HydrophobicContact CD2-CG1 4.03Å; L4-F24 HydrophobicContact CD2-CD2 4.24Å; L4-F24 HydrophobicContact CD2-CE2 4.09Å; L4-F24 HydrophobicContact CG-CD2 4.19Å; L4-F24 HydrophobicContact CG-CE2 4.42Å; L4-F24 WeakPolarHBondContact O-CB 3.42Å; L4-L45 HydrophobicContact CD2-CD1 3.81Å; L4-L82 HydrophobicContact CD1-CB 4.12Å; L4-L82 HydrophobicContact CD1-CD2 4.47Å; L4-F1148 HydrophobicContact CB-CD1 3.86Å; L4-F1148 HydrophobicContact CB-CE1 4.31Å; L4-F1148 HydrophobicContact CB-CG 4.22Å; L4-Q1179 PolarHBondContact O-NE2 3.15Å; L4-Q1179 PolarHBondContact O-OE1 2.71Å; L4-I1181 HydrophobicContact CD2-CD1 4.15Å
5K90.1Very high88.5Confident70 Ų7030.7 Ų30.730%0.30415%0.147SC..EExtended strand (participates in β ladder)trans-82.1-50.2-177.1-179.6176.5173.4-1790111.6Y3 F24 R83 E91Y3-K5 HydrophobicContact CE2-CB 4.41Å; Y3-K5 PolarHBondContact O-N 3.08Å; K5-F24 PolarHBondContact O-N 3.26Å; K5-R83 WeakPolarHBondContact CB-O 3.49Å; K5-R83 PolarHBondContact N-O 3.48Å; K5-E91 IonicContact NZ-OE2 3.63Å; K5-E91 PolarHBondContact NZ-OE2 3.27Å
6Q92.2Very high88.5Confident39 Ų3934.9 Ų34.918%0.18216%0.161CC..EExtended strand (participates in β ladder)trans-163.3165.517866.4-175.648.400111.1D8 V20 I21 R83Q6-D8 PolarHBondContact NE2-OD1 2.89Å; Q6-V20 HydrophobicContact CB-CG1 4.32Å; Q6-V20 HydrophobicContact CG-CG1 4.41Å; Q6-I21 CarbonylContact C-O 3.58Å; Q6-I21 VanDerWaalsContact CA-O 3.3Å; Q6-I21 WeakPolarHBondContact CA-O 3.33Å; Q6-I21 WeakPolarHBondContact CB-O 3.5Å; Q6-R83 HydrophobicContact CG-CB 4.09Å; Q6-R83 HydrophobicContact CG-CG 4.27Å; Q6-R83 PolarHBondContact O-N 2.57Å
7I93.2Very high88.5Confident3 Ų334.5 Ų34.52%0.01517%0.168CC..EExtended strand (participates in β ladder)trans-118.7122.9173.6-57.1164.4000108.5L4 I9 I21 F24 L45 V80 A81 L82L4-I7 HydrophobicContact CD2-CD1 4.07Å; L4-I7 HydrophobicContact CD2-CG1 4.03Å; I7-I9 HydrophobicContact CG2-CD1 4.21Å; I7-I9 HydrophobicContact CG2-CG1 3.76Å; I7-I21 HydrophobicContact CB-CB 4.23Å; I7-I21 PolarHBondContact N-O 3.34Å; I7-I21 PolarHBondContact O-N 3.12Å; I7-F24 HydrophobicContact CD1-CE2 3.93Å; I7-F24 HydrophobicContact CD1-CZ 4.03Å; I7-F24 HydrophobicContact CG1-CE2 3.94Å; I7-L45 HydrophobicContact CD1-CB 4.44Å; I7-L45 HydrophobicContact CD1-CD1 3.76Å; I7-L45 HydrophobicContact CG1-CD1 4.47Å; I7-V80 HydrophobicContact CG2-CG1 3.94Å; I7-A81 CarbonylContact C-O 3.59Å; I7-A81 WeakPolarHBondContact CA-O 3.45Å; I7-L82 HydrophobicContact CB-CD2 4.43Å; I7-L82 HydrophobicContact CD1-CD2 4.3Å; I7-L82 HydrophobicContact CG1-CD2 3.75Å; I7-L82 HydrophobicContact CG2-CD2 4.06Å
8D93.3Very high88.6Confident18 Ų1840.3 Ų40.310%0.09619%0.192CC..EExtended strand (participates in β ladder)trans-96119.6173.8-58.5-18.5000108.6Q6 V80 A81 R83Q6-D8 PolarHBondContact NE2-OD1 2.89Å; D8-V80 CarbonylContact O-C 3.46Å; D8-V80 WeakPolarHBondContact O-CA 3.06Å; D8-A81 HydrophobicContact CB-CB 4.27Å; D8-A81 PolarHBondContact N-O 2.98Å; D8-A81 PolarHBondContact O-N 3.09Å; D8-R83 IonicContact OD1-NE 2.65Å; D8-R83 IonicContact OD2-CZ 3.24Å; D8-R83 IonicContact OD2-NE 3.28Å; D8-R83 PolarHBondContact OD2-NE 2.99Å; D8-R83 IonicContact OD2-NH2 3.07Å; D8-R83 PolarHBondContact OD2-NH2 2.93Å
9I94.3Very high88.7Confident1 Ų140.4 Ų40.41%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-116137.4-178.8-57.6-172.9000109.7I7 F12 W15 K18 Q19 I21 A44 V80I7-I9 HydrophobicContact CG2-CD1 4.21Å; I7-I9 HydrophobicContact CG2-CG1 3.76Å; I9-F12 HydrophobicContact CG2-CB 3.51Å; I9-F12 HydrophobicContact CG2-CG 4.37Å; I9-W15 HydrophobicContact CD1-CG 4.44Å; I9-W15 HydrophobicContact CG2-CB 3.75Å; I9-W15 HydrophobicContact CG2-CG 3.99Å; I9-K18 CarbonylContact O-C 3.5Å; I9-K18 WeakPolarHBondContact O-CA 3.22Å; I9-Q19 PolarHBondContact N-O 3.01Å; I9-Q19 PolarHBondContact O-N 3.26Å; I9-I21 HydrophobicContact CD1-CD1 3.43Å; I9-I21 VanDerWaalsContact CD1-CD1 3.43Å; I9-I21 HydrophobicContact CD1-CG1 4.25Å; I9-I21 HydrophobicContact CG1-CD1 4.31Å; I9-A44 HydrophobicContact CD1-CB 3.56Å; I9-A44 HydrophobicContact CG1-CB 4.34Å; I9-V80 HydrophobicContact CG1-CG1 4.34Å
10E93.2Very high88.9Confident76 Ų7641.5 Ų41.536%0.35520%0.202SC..EExtended strand (participates in β ladder)trans-135.1120176.4-173.8171.8-161.300111.4F12 G17 A78 R79E10-F12 VanDerWaalsContact C-N 3.26Å; E10-F12 PolarHBondContact O-N 2.99Å; E10-G17 WeakPolarHBondContact CA-O 3.44Å; E10-A78 WeakPolarHBondContact O-CA 3.21Å; E10-R79 HydrophobicContact CB-CB 4.26Å; E10-R79 PolarHBondContact N-O 3.05Å; E10-R79 PolarHBondContact O-N 3.08Å
11N91.4Very high89Confident20 Ų2039.5 Ų39.511%0.10719%0.192CC..EExtended strand (participates in β ladder)trans51.636.2175.6-62.8-39000115W15 G17 H66 A78N11-W15 CarbonylContact C-O 3.46Å; N11-W15 WeakPolarHBondContact CA-O 3.16Å; N11-W15 PolarHBondContact N-O 3.34Å; N11-G17 PolarHBondContact N-O 3.32Å; N11-G17 VanDerWaalsContact N-O 3.13Å; N11-G17 WeakPolarHBondContact OD1-CA 3.48Å; N11-G17 PolarHBondContact OD1-N 2.89Å; N11-H66 PolarHBondContact O-N 3.16Å; N11-A78 VanDerWaalsContact O-CB 3.3Å; N11-A78 WeakPolarHBondContact O-CB 3.19Å
12F90.6Very high89.9Confident0 Ų034.3 Ų34.30%017%0.169CC..EExtended strand (participates in β ladder)trans-107.6122.6-174.7-174.9-92.9000111.9I9 E10 S14 W15 D43 A44 F47 L64 V80I9-F12 HydrophobicContact CG2-CB 3.51Å; I9-F12 HydrophobicContact CG2-CG 4.37Å; E10-F12 VanDerWaalsContact C-N 3.26Å; E10-F12 PolarHBondContact O-N 2.99Å; F12-S14 PolarHBondContact O-N 3.24Å; F12-W15 PolarHBondContact N-O 3.43Å; F12-W15 VanDerWaalsContact N-O 3.08Å; F12-W15 WeakPolarHBondContact O-CB 3.38Å; F12-W15 PolarHBondContact O-N 2.69Å; F12-D43 HydrophobicContact CE1-CB 4.32Å; F12-A44 HydrophobicContact CD1-CB 3.85Å; F12-A44 VanDerWaalsContact CE1-CA 3.45Å; F12-A44 HydrophobicContact CE1-CB 3.62Å; F12-A44 HydrophobicContact CZ-CB 4.3Å; F12-F47 HydrophobicContact CD2-CD1 4.44Å; F12-F47 HydrophobicContact CE2-CB 4.15Å; F12-F47 AromaticContact CE2-CD1 3.76Å; F12-F47 HydrophobicContact CE2-CD1 3.76Å; F12-F47 HydrophobicContact CE2-CE1 4.31Å; F12-F47 AromaticContact CE2-CG 3.88Å; F12-F47 HydrophobicContact CE2-CG 3.88Å; F12-F47 HydrophobicContact CZ-CB 4.02Å; F12-F47 HydrophobicContact CZ-CD1 4.43Å; F12-F47 HydrophobicContact CZ-CG 4.26Å; F12-L64 CarbonylContact C-O 3.5Å; F12-L64 WeakPolarHBondContact CA-O 3.47Å; F12-L64 HydrophobicContact CD2-CB 4.34Å; F12-L64 HydrophobicContact CE2-CB 3.96Å; F12-L64 HydrophobicContact CE2-CD1 4.31Å; F12-L64 HydrophobicContact CE2-CD2 4.06Å; F12-L64 HydrophobicContact CE2-CG 4.35Å; F12-L64 HydrophobicContact CZ-CD2 3.9Å; F12-V80 HydrophobicContact CB-CG2 4.25Å; F12-V80 HydrophobicContact CD1-CG2 4.4Å; F12-V80 HydrophobicContact CD2-CG2 3.7Å; F12-V80 HydrophobicContact CE2-CG2 4.07Å; F12-V80 HydrophobicContact CG-CG2 3.87Å
13K89.7Confident90.4Very high22 Ų2237.4 Ų37.410%0.09619%0.188CC..THydrogen-bonded Turntrans49.8-105.1-179.5-72.8-167.7168.7-159.30113.7N40 D43 L64 H66K13-N40 HydrophobicContact CB-CB 4.48Å; K13-N40 HydrophobicContact CD-CB 4.24Å; K13-N40 WeakPolarHBondContact CD-OD1 3.29Å; K13-D43 HydrophobicContact CD-CB 4.34Å; K13-D43 VanDerWaalsContact NZ-CG 3.3Å; K13-D43 IonicContact NZ-OD1 2.64Å; K13-D43 IonicContact NZ-OD2 3.87Å; K13-D43 PolarHBondContact NZ-OD2 3.22Å; K13-L64 HydrophobicContact CD-CD2 4.38Å; K13-L64 VanDerWaalsContact CE-CD2 3.48Å; K13-L64 HydrophobicContact CG-CD2 4.18Å; K13-L64 PolarHBondContact N-O 3.3Å; K13-H66 VanDerWaalsContact O-CA 3.3Å; K13-H66 WeakPolarHBondContact O-CA 3.49Å; K13-H66 WeakPolarHBondContact O-CB 3.42Å; K13-H66 PolarHBondContact O-ND1 3.46Å
14S88.5Confident90.6Very high14 Ų1434.4 Ų34.410%0.09818%0.176CC..THydrogen-bonded Turntrans-91.3-6.9178.260.80000112.8F12 R16 N40 F1208 S1209F12-S14 PolarHBondContact O-N 3.24Å; S14-R16 PolarHBondContact O-N 3.21Å; S14-N40 PolarHBondContact OG-ND2 3.03Å; S14-F1208 CarbonylContact O-C 3.45Å; S14-F1208 WeakPolarHBondContact O-CA 3.49Å; S14-F1208 WeakPolarHBondContact O-CB 3.49Å; S14-S1209 WeakPolarHBondContact CB-OG 3.27Å; S14-S1209 PolarHBondContact O-N 3.39Å; S14-S1209 PolarHBondContact OG-OG 3.26Å
15W89.7Confident90.5Very high0 Ų036.7 Ų36.70%019%0.187CC..EExtended strand (participates in β ladder)trans-88.6106.4-178.6-57.2101.1000110.5I9 N11 F12 Q19 I21 V41 V1199 S1209 I1211I9-W15 HydrophobicContact CD1-CG 4.44Å; I9-W15 HydrophobicContact CG2-CB 3.75Å; I9-W15 HydrophobicContact CG2-CG 3.99Å; N11-W15 CarbonylContact C-O 3.46Å; N11-W15 WeakPolarHBondContact CA-O 3.16Å; N11-W15 PolarHBondContact N-O 3.34Å; F12-W15 PolarHBondContact N-O 3.43Å; F12-W15 VanDerWaalsContact N-O 3.08Å; F12-W15 WeakPolarHBondContact O-CB 3.38Å; F12-W15 PolarHBondContact O-N 2.69Å; W15-Q19 HydrophobicContact CB-CG 4.4Å; W15-Q19 HydrophobicContact CE3-CB 4.09Å; W15-Q19 HydrophobicContact CE3-CG 3.96Å; W15-I21 HydrophobicContact CH2-CD1 4.37Å; W15-I21 HydrophobicContact CZ2-CD1 4.05Å; W15-V41 HydrophobicContact CZ2-CG2 3.68Å; W15-V1199 HydrophobicContact CH2-CG1 3.91Å; W15-V1199 HydrophobicContact CH2-CG2 4.38Å; W15-V1199 HydrophobicContact CZ2-CG1 4.23Å; W15-S1209 WeakPolarHBondContact CZ3-O 3.35Å; W15-I1211 HydrophobicContact CH2-CB 4.06Å; W15-I1211 HydrophobicContact CZ3-CB 4.14Å
16R88.2Confident90.4Very high99 Ų9937.8 Ų37.837%0.37419%0.189SC..EExtended strand (participates in β ladder)trans-88.8135.5176.4-172.6176.6173.9-164.1-2.4110.8S14 Q19 D1204 F1208S14-R16 PolarHBondContact O-N 3.21Å; R16-Q19 PolarHBondContact O-NE2 3.31Å; R16-D1204 IonicContact CZ-OD2 2.78Å; R16-D1204 IonicContact NH1-OD2 2.64Å; R16-D1204 PolarHBondContact NH1-OD2 3.32Å; R16-F1208 HydrophobicContact CB-CB 3.9Å; R16-F1208 HydrophobicContact CB-CD2 4.39Å; R16-F1208 HydrophobicContact CB-CG 4.24Å
17G88.6Confident90.4Very high27 Ų2735.9 Ų35.928%0.27818%0.181SC..EExtended strand (participates in β ladder)trans66.7-161.6-177.300000112.2E10 N11E10-G17 WeakPolarHBondContact CA-O 3.44Å; N11-G17 PolarHBondContact N-O 3.32Å; N11-G17 VanDerWaalsContact N-O 3.13Å; N11-G17 WeakPolarHBondContact OD1-CA 3.48Å; N11-G17 PolarHBondContact OD1-N 2.89Å
18K90.3Very high90.3Very high139 Ų13935.8 Ų35.860%0.60418%0.18SC*.EExtended strand (participates in β ladder)trans-87.6123.3178.2-171.6177.8-179.1-178.80110.6I9I9-K18 CarbonylContact O-C 3.5Å; I9-K18 WeakPolarHBondContact O-CA 3.22Å
19Q90.5Very high90.2Very high42 Ų4234.9 Ų34.920%0.19618%0.175CC..EExtended strand (participates in β ladder)trans-127.9142.1-179.3-58-63-25.100109.2I9 W15 R16I9-Q19 PolarHBondContact N-O 3.01Å; I9-Q19 PolarHBondContact O-N 3.26Å; W15-Q19 HydrophobicContact CB-CG 4.4Å; W15-Q19 HydrophobicContact CE3-CB 4.09Å; W15-Q19 HydrophobicContact CE3-CG 3.96Å; R16-Q19 PolarHBondContact O-NE2 3.31Å
20V91.9Very high90.1Very high62 Ų6235 Ų3538%0.37618%0.176SC..EExtended strand (participates in β ladder)trans-116.7120.3179-179.10000108.3Q6 I1211Q6-V20 HydrophobicContact CB-CG1 4.32Å; Q6-V20 HydrophobicContact CG-CG1 4.41Å; V20-I1211 WeakPolarHBondContact O-CG2 3.26Å
21I90.7Very high90Very high0 Ų033.3 Ų33.30%017%0.169CC..EExtended strand (participates in β ladder)trans-101.1109.7176.9-59.1-174.5000107.8Q6 I7 I9 W15 F24 V41 L1197 I1211Q6-I21 CarbonylContact C-O 3.58Å; Q6-I21 VanDerWaalsContact CA-O 3.3Å; Q6-I21 WeakPolarHBondContact CA-O 3.33Å; Q6-I21 WeakPolarHBondContact CB-O 3.5Å; I7-I21 HydrophobicContact CB-CB 4.23Å; I7-I21 PolarHBondContact N-O 3.34Å; I7-I21 PolarHBondContact O-N 3.12Å; I9-I21 HydrophobicContact CD1-CD1 3.43Å; I9-I21 VanDerWaalsContact CD1-CD1 3.43Å; I9-I21 HydrophobicContact CD1-CG1 4.25Å; I9-I21 HydrophobicContact CG1-CD1 4.31Å; W15-I21 HydrophobicContact CH2-CD1 4.37Å; W15-I21 HydrophobicContact CZ2-CD1 4.05Å; I21-F24 HydrophobicContact CG2-CE1 4.31Å; I21-F24 HydrophobicContact CG2-CE2 4.15Å; I21-F24 HydrophobicContact CG2-CZ 3.53Å; I21-F24 WeakPolarHBondContact O-CE2 3.49Å; I21-V41 HydrophobicContact CD1-CB 4.27Å; I21-V41 HydrophobicContact CD1-CG1 3.8Å; I21-V41 HydrophobicContact CD1-CG2 3.7Å; I21-V41 HydrophobicContact CG2-CG1 4.3Å; I21-L1197 HydrophobicContact CG2-CD2 3.93Å; I21-I1211 HydrophobicContact CB-CD1 4.09Å; I21-I1211 HydrophobicContact CD1-CD1 4.4Å; I21-I1211 HydrophobicContact CG1-CD1 3.9Å; I21-I1211 HydrophobicContact CG2-CD1 3.64Å
22G85.5Confident89.8Confident10 Ų1033.5 Ų33.510%0.10318%0.176CC..  trans142.4-174.8-17700000111.7T1213G22-T1213 WeakPolarHBondContact O-CG2 3.23Å
23P88.9Confident89.5Confident73 Ų7338.1 Ų38.147%0.47420%0.204SC..  cis-72142.3629.1-34.8000112.9
24F90.9Very high89.2Confident6 Ų643.1 Ų43.13%0.02623%0.232CC..  trans-88.2135.9172.6-66-74.8000111.2L4 K5 I7 I21 N28 Q1179 I1181 L1197L4-F24 HydrophobicContact CD2-CD2 4.24Å; L4-F24 HydrophobicContact CD2-CE2 4.09Å; L4-F24 HydrophobicContact CG-CD2 4.19Å; L4-F24 HydrophobicContact CG-CE2 4.42Å; L4-F24 WeakPolarHBondContact O-CB 3.42Å; K5-F24 PolarHBondContact O-N 3.26Å; I7-F24 HydrophobicContact CD1-CE2 3.93Å; I7-F24 HydrophobicContact CD1-CZ 4.03Å; I7-F24 HydrophobicContact CG1-CE2 3.94Å; I21-F24 HydrophobicContact CG2-CE1 4.31Å; I21-F24 HydrophobicContact CG2-CE2 4.15Å; I21-F24 HydrophobicContact CG2-CZ 3.53Å; I21-F24 WeakPolarHBondContact O-CE2 3.49Å; F24-N28 WeakPolarHBondContact CA-OD1 3.32Å; F24-N28 HydrophobicContact CD1-CB 4.14Å; F24-Q1179 VanDerWaalsContact CB-NE2 3.34Å; F24-I1181 HydrophobicContact CD1-CD1 3.85Å; F24-I1181 HydrophobicContact CD1-CG1 4.22Å; F24-I1181 HydrophobicContact CE1-CD1 3.88Å; F24-I1181 HydrophobicContact CE1-CG1 4.42Å; F24-I1181 HydrophobicContact CE1-CG2 4.12Å; F24-I1181 HydrophobicContact CG-CD1 4.22Å; F24-I1181 HydrophobicContact CZ-CD1 4.28Å; F24-L1197 HydrophobicContact CD1-CD1 4.2Å; F24-L1197 HydrophobicContact CD1-CD2 4.25Å; F24-L1197 HydrophobicContact CE1-CD1 4.15Å; F24-L1197 HydrophobicContact CE1-CD2 3.78Å; F24-L1197 HydrophobicContact CZ-CD2 4.32Å
25M88.7Confident88.6Confident49 Ų4945.4 Ų45.424%0.24126%0.257CS..  trans-95.8-163.1173.4-59.9-59.3179.200110.9N28 Q1179 D1194 A1195M25-N28 PolarHBondContact N-ND2 3.38Å; M25-N28 PolarHBondContact N-OD1 3.41Å; M25-N28 PolarHBondContact O-ND2 3.42Å; M25-Q1179 WeakPolarHBondContact O-CG 3.33Å; M25-Q1179 PolarHBondContact O-NE2 3.46Å; M25-D1194 HydrophobicContact CB-CB 4.07Å; M25-A1195 HydrophobicContact CB-CB 4.27Å; M25-A1195 HydrophobicContact CG-CB 3.84Å
26R88.3Confident88.2Confident93 Ų9345.4 Ų45.435%0.35126%0.257SS..SBendtrans-71.5-47.9179.6-70.4-70.5179-162.4-6.1112.3Q1179 I1180R26-Q1179 CarbonylContact O-C 3.57Å; R26-Q1179 WeakPolarHBondContact O-CA 3.27Å; R26-Q1179 WeakPolarHBondContact O-CG 3.48Å; R26-I1180 PolarHBondContact O-N 3.42Å
27F91.3Very high87.9Confident0 Ų041.2 Ų41.20%025%0.245CC..EExtended strand (participates in β ladder)trans-119.7117172-179.1-149.1000111.5T1167 I1170 R1171 I1180 V1182 F1189 K1192 A1193 D1194 A1195F27-T1167 HydrophobicContact CE1-CG2 4.4Å; F27-T1167 HydrophobicContact CZ-CG2 4.48Å; F27-I1170 HydrophobicContact CD2-CG2 4Å; F27-I1170 HydrophobicContact CE1-CG2 4.42Å; F27-I1170 HydrophobicContact CE2-CG2 3.66Å; F27-I1170 HydrophobicContact CZ-CG2 3.92Å; F27-R1171 HydrophobicContact CD1-CG 4.49Å; F27-I1180 WeakPolarHBondContact CA-O 3.26Å; F27-I1180 HydrophobicContact CD2-CB 4.27Å; F27-I1180 HydrophobicContact CD2-CG2 4.45Å; F27-V1182 HydrophobicContact CE2-CG2 3.99Å; F27-F1189 HydrophobicContact CE2-CE1 4.06Å; F27-F1189 HydrophobicContact CZ-CD1 4.28Å; F27-F1189 AromaticContact CZ-CE1 3.84Å; F27-F1189 HydrophobicContact CZ-CE1 3.84Å; F27-K1192 VanDerWaalsContact CD1-O 3.3Å; F27-K1192 WeakPolarHBondContact CD1-O 3.07Å; F27-K1192 WeakPolarHBondContact CE1-O 3.29Å; F27-A1193 VanDerWaalsContact CD1-CA 3.48Å; F27-A1193 HydrophobicContact CD1-CB 4.21Å; F27-A1193 HydrophobicContact CE1-CB 4.1Å; F27-A1193 HydrophobicContact CZ-CB 4.4Å; F27-D1194 PolarHBondContact N-OD2 2.69Å; F27-D1194 WeakPolarHBondContact O-CA 3.18Å; F27-D1194 WeakPolarHBondContact O-CB 3.16Å; F27-D1194 PolarHBondContact O-N 2.96Å; F27-A1195 PolarHBondContact O-N 2.96Å
28N91.5Very high87.8Confident0 Ų040.3 Ų40.30%023%0.234CC..EExtended strand (participates in β ladder)trans-121143.1-176.6-54.7-92.8000110.8F24 M25 I1180 I1181 V1182 A1195 L1197F24-N28 WeakPolarHBondContact CA-OD1 3.32Å; F24-N28 HydrophobicContact CD1-CB 4.14Å; M25-N28 PolarHBondContact N-ND2 3.38Å; M25-N28 PolarHBondContact N-OD1 3.41Å; M25-N28 PolarHBondContact O-ND2 3.42Å; N28-I1180 PolarHBondContact N-O 3.36Å; N28-I1181 HydrophobicContact CB-CG1 4.37Å; N28-I1181 HydrophobicContact CB-CG2 4.37Å; N28-I1181 WeakPolarHBondContact O-CA 3.12Å; N28-V1182 PolarHBondContact O-N 3.3Å; N28-A1195 WeakPolarHBondContact CA-O 3.15Å; N28-L1197 HydrophobicContact CB-CD1 3.81Å
29C91.9Very high87.4Confident0 Ų034.6 Ų34.60%021%0.211CC..EExtended strand (participates in β ladder)trans-122.6127.9170.1-160.30000112.2V1182 F1190 A1193 A1195 L1196 L1197C29-V1182 CarbonylContact C-O 3.58Å; C29-V1182 VanDerWaalsContact CA-O 3.22Å; C29-V1182 WeakPolarHBondContact CA-O 3.33Å; C29-V1182 PolarHBondContact SG-O 3.18Å; C29-F1190 HydrophobicContact CB-CB 3.69Å; C29-F1190 WeakPolarHBondContact SG-CB 3.46Å; C29-A1193 HydrophobicContact CB-CB 3.91Å; C29-A1195 PolarHBondContact N-O 3.38Å; C29-L1196 HydrophobicContact CB-CD2 4Å; C29-L1196 CarbonylContact O-C 3.56Å; C29-L1196 WeakPolarHBondContact O-CA 3.43Å; C29-L1197 PolarHBondContact O-N 3.16Å
30I92.1Very high87.3Confident3 Ų334 Ų342%0.01521%0.209CC..EExtended strand (participates in β ladder)trans-95.4117.2176-54177.2000108.1V41 I1181 V1182 I1183 L1197 V1199I30-V41 HydrophobicContact CD1-CB 4.46Å; I30-V41 HydrophobicContact CD1-CG1 3.96Å; I30-I1181 HydrophobicContact CD1-CG2 3.88Å; I30-I1181 HydrophobicContact CG1-CG2 4.12Å; I30-V1182 PolarHBondContact N-O 2.97Å; I30-I1183 HydrophobicContact CB-CG1 4.1Å; I30-I1183 HydrophobicContact CD1-CG1 4.16Å; I30-L1197 CarbonylContact C-O 3.57Å; I30-L1197 WeakPolarHBondContact CA-O 3.38Å; I30-L1197 HydrophobicContact CG1-CB 4.13Å; I30-L1197 HydrophobicContact CG1-CD1 4.3Å; I30-V1199 HydrophobicContact CG2-CG2 3.75Å
31I91.6Very high87.1Confident40 Ų4031.4 Ų31.421%0.20519%0.193CC..EExtended strand (participates in β ladder)trans-120.1164.4-176.163.6169.6000110.9F1190 L1196 L1197 G1198 V1199I31-F1190 HydrophobicContact CG2-CB 3.99Å; I31-F1190 HydrophobicContact CG2-CD1 3.76Å; I31-F1190 HydrophobicContact CG2-CE1 4.35Å; I31-F1190 HydrophobicContact CG2-CG 3.89Å; I31-L1196 HydrophobicContact CD1-CB 4.44Å; I31-L1196 HydrophobicContact CD1-CD1 4.17Å; I31-L1196 HydrophobicContact CD1-CD2 4.45Å; I31-L1196 HydrophobicContact CG2-CD2 4.37Å; I31-L1197 PolarHBondContact N-O 3.17Å; I31-G1198 WeakPolarHBondContact O-CA 3.5Å; I31-V1199 PolarHBondContact O-N 3.32Å
32G87.4Confident86.9Confident24 Ų2431.6 Ų31.625%0.24719%0.194CC..  trans155.1166.2178.600000112.9K38 L1185 V1199G32-K38 PolarHBondContact O-NZ 3.42Å; G32-L1185 WeakPolarHBondContact O-CD2 3.26Å; G32-V1199 WeakPolarHBondContact CA-O 3.42Å
33T83.8Confident87Confident97 Ų9731.1 Ų31.160%0.59519%0.19SC*.  trans-67.3156.2-179.3550000112.3G35 S36 K38T33-G35 PolarHBondContact O-N 3.29Å; T33-S36 WeakPolarHBondContact O-CB 3.34Å; T33-S36 PolarHBondContact O-N 3.4Å; T33-S36 VanDerWaalsContact O-N 3.12Å; T33-S36 PolarHBondContact O-OG 2.86Å; T33-K38 VanDerWaalsContact C-NZ 3.29Å; T33-K38 PolarHBondContact O-NZ 3.48Å
34N82.9Confident87Confident127 Ų12727.7 Ų27.768%0.67917%0.167SC*.THydrogen-bonded Turntrans-60.8130.9177.6-71.7-13.6000110.5L1185N34-L1185 VanDerWaalsContact OD1-CD1 3.26Å; N34-L1185 WeakPolarHBondContact OD1-CD1 3.36Å
35G76.4Confident86.9Confident62 Ų6227.5 Ų27.564%0.63917%0.166SC*.THydrogen-bonded Turntrans82.22.3-175.700000116T33 G37T33-G35 PolarHBondContact O-N 3.29Å; G35-G37 PolarHBondContact O-N 3.42Å
36S81.8Confident86.8Confident0 Ų025.1 Ų25.10%016%0.155CC..SBendtrans-71.3-8.5-179.670.90000115.3T33 K38 V1199 S1209T33-S36 WeakPolarHBondContact O-CB 3.34Å; T33-S36 PolarHBondContact O-N 3.4Å; T33-S36 VanDerWaalsContact O-N 3.12Å; T33-S36 PolarHBondContact O-OG 2.86Å; S36-K38 WeakPolarHBondContact OG-CG 3.43Å; S36-V1199 VanDerWaalsContact CB-O 3.29Å; S36-V1199 WeakPolarHBondContact CB-O 3.38Å; S36-V1199 WeakPolarHBondContact O-CG1 3.48Å; S36-V1199 PolarHBondContact OG-O 3.16Å; S36-S1209 PolarHBondContact O-OG 3.25Å
37G80.6Confident86.9Confident11 Ų1120.7 Ų20.711%0.11314%0.138CC..SBendtrans100.612.2-179.300000115.2G35 S39 N40G35-G37 PolarHBondContact O-N 3.42Å; G37-S39 PolarHBondContact O-N 2.74Å; G37-N40 VanDerWaalsContact O-CB 3.28Å; G37-N40 WeakPolarHBondContact O-CB 3.49Å; G37-N40 PolarHBondContact O-N 3.42Å
38K86.2Confident86.8Confident9 Ų920.7 Ų20.74%0.03914%0.138CC..Hα-helixtrans-48.6-54.4176.8-58.2-175.9-65.4-84.80113.4G32 T33 S36 N40 V41 I1183 V1199G32-K38 PolarHBondContact O-NZ 3.42Å; T33-K38 VanDerWaalsContact C-NZ 3.29Å; T33-K38 PolarHBondContact O-NZ 3.48Å; S36-K38 WeakPolarHBondContact OG-CG 3.43Å; K38-N40 PolarHBondContact O-N 3.08Å; K38-N40 VanDerWaalsContact O-N 3.12Å; K38-V41 VanDerWaalsContact O-CB 3.27Å; K38-V41 WeakPolarHBondContact O-CB 3.12Å; K38-V41 VanDerWaalsContact O-CG2 3.3Å; K38-V41 WeakPolarHBondContact O-CG2 3.16Å; K38-V41 PolarHBondContact O-N 3.45Å; K38-I1183 HydrophobicContact CB-CG2 4.08Å; K38-I1183 HydrophobicContact CD-CG2 4.31Å; K38-V1199 HydrophobicContact CG-CB 4.12Å; K38-V1199 HydrophobicContact CG-CG2 4.49Å
39S82.7Confident86.6Confident19 Ų1921 Ų2113%0.13314%0.139CC..Hα-helixtrans-67.3-16.2-178-43.20000112.9G37 V41 M42 D43 R57G37-S39 PolarHBondContact O-N 2.74Å; S39-V41 PolarHBondContact O-N 2.65Å; S39-M42 WeakPolarHBondContact O-CB 3.14Å; S39-M42 PolarHBondContact O-N 3.37Å; S39-M42 VanDerWaalsContact O-N 3.17Å; S39-D43 PolarHBondContact O-N 2.95Å; S39-R57 VanDerWaalsContact CB-CZ 3.44Å; S39-R57 PolarHBondContact O-NH2 3.22Å
40N87.7Confident86.2Confident30 Ų3021.3 Ų21.316%0.1614%0.143CC..Hα-helixtrans-70.6-21173.8-65.7-22000112.1K13 S14 G37 K38 M42 A44K13-N40 HydrophobicContact CB-CB 4.48Å; K13-N40 HydrophobicContact CD-CB 4.24Å; K13-N40 WeakPolarHBondContact CD-OD1 3.29Å; S14-N40 PolarHBondContact OG-ND2 3.03Å; G37-N40 VanDerWaalsContact O-CB 3.28Å; G37-N40 WeakPolarHBondContact O-CB 3.49Å; G37-N40 PolarHBondContact O-N 3.42Å; K38-N40 PolarHBondContact O-N 3.08Å; K38-N40 VanDerWaalsContact O-N 3.12Å; N40-M42 VanDerWaalsContact C-N 3.27Å; N40-A44 WeakPolarHBondContact O-CB 3.31Å; N40-A44 PolarHBondContact O-N 2.76Å
41V87.8Confident85.7Confident6 Ų622.4 Ų22.44%0.03615%0.148CC..Hα-helixtrans-62.6-41.2169.6-1780000110.1W15 I21 I30 K38 S39 A44 L45W15-V41 HydrophobicContact CZ2-CG2 3.68Å; I21-V41 HydrophobicContact CD1-CB 4.27Å; I21-V41 HydrophobicContact CD1-CG1 3.8Å; I21-V41 HydrophobicContact CD1-CG2 3.7Å; I21-V41 HydrophobicContact CG2-CG1 4.3Å; I30-V41 HydrophobicContact CD1-CB 4.46Å; I30-V41 HydrophobicContact CD1-CG1 3.96Å; K38-V41 VanDerWaalsContact O-CB 3.27Å; K38-V41 WeakPolarHBondContact O-CB 3.12Å; K38-V41 VanDerWaalsContact O-CG2 3.3Å; K38-V41 WeakPolarHBondContact O-CG2 3.16Å; K38-V41 PolarHBondContact O-N 3.45Å; S39-V41 PolarHBondContact O-N 2.65Å; V41-A44 PolarHBondContact O-N 2.78Å; V41-L45 PolarHBondContact O-N 2.64Å
42M86.1Confident85.2Confident5 Ų530.2 Ų30.23%0.02518%0.175CC..Hα-helixtrans-69.4-40.5179.8-146.7-77.6-109.800111.7S39 N40 A44 L45 S46 V134 F136 I1150 D1152 I1183S39-M42 WeakPolarHBondContact O-CB 3.14Å; S39-M42 PolarHBondContact O-N 3.37Å; S39-M42 VanDerWaalsContact O-N 3.17Å; N40-M42 VanDerWaalsContact C-N 3.27Å; M42-A44 VanDerWaalsContact C-N 3.34Å; M42-A44 PolarHBondContact O-N 2.78Å; M42-L45 PolarHBondContact O-N 3.44Å; M42-S46 WeakPolarHBondContact O-CB 3.48Å; M42-S46 PolarHBondContact O-N 2.91Å; M42-S46 PolarHBondContact O-OG 3.45Å; M42-V134 HydrophobicContact CE-CG1 3.58Å; M42-V134 HydrophobicContact SD-CG1 3.27Å; M42-V134 WeakPolarHBondContact SD-CG1 3.39Å; M42-F136 VanDerWaalsContact CE-CA 3.49Å; M42-F136 HydrophobicContact CE-CB 3.97Å; M42-F136 HydrophobicContact CE-CD1 3.03Å; M42-F136 HydrophobicContact CE-CD2 4.12Å; M42-F136 HydrophobicContact CE-CE1 3.33Å; M42-F136 HydrophobicContact CE-CE2 4.36Å; M42-F136 HydrophobicContact CE-CG 3.45Å; M42-F136 VanDerWaalsContact CE-CG 3.45Å; M42-F136 HydrophobicContact CE-CZ 3.99Å; M42-F136 HydrophobicContact SD-CD1 4.06Å; M42-F136 HydrophobicContact SD-CE1 3.71Å; M42-F136 HydrophobicContact SD-CZ 4.17Å; M42-I1150 HydrophobicContact CG-CG2 4.36Å; M42-D1152 HydrophobicContact CE-CB 4.18Å; M42-I1183 HydrophobicContact CB-CD1 4.19Å; M42-I1183 HydrophobicContact CG-CD1 4.5Å
43D87.8Confident84.7Confident0 Ų030.7 Ų30.70%017%0.173CC..Hα-helixtrans-62.8-38.7171.3-68.8-50.7000112.5F12 K13 S39 F47 L56 R57F12-D43 HydrophobicContact CE1-CB 4.32Å; K13-D43 HydrophobicContact CD-CB 4.34Å; K13-D43 VanDerWaalsContact NZ-CG 3.3Å; K13-D43 IonicContact NZ-OD1 2.64Å; K13-D43 IonicContact NZ-OD2 3.87Å; K13-D43 PolarHBondContact NZ-OD2 3.22Å; S39-D43 PolarHBondContact O-N 2.95Å; D43-F47 WeakPolarHBondContact O-CB 3.34Å; D43-F47 PolarHBondContact O-N 3.05Å; D43-L56 HydrophobicContact CB-CD2 4.28Å; D43-R57 IonicContact OD1-NE 3.77Å; D43-R57 PolarHBondContact OD1-NE 3.48Å; D43-R57 IonicContact OD1-NH2 3.59Å; D43-R57 IonicContact OD2-CZ 3.46Å; D43-R57 IonicContact OD2-NE 3.43Å; D43-R57 PolarHBondContact OD2-NE 3.31Å; D43-R57 IonicContact OD2-NH2 2.79Å; D43-R57 PolarHBondContact OD2-NH2 2.71Å
44A89.2Confident84.4Confident0 Ų030.8 Ų30.80%018%0.184CC..Hα-helixtrans-64.8-44.717900000111.3I9 F12 N40 V41 M42 F47 A48 V80I9-A44 HydrophobicContact CD1-CB 3.56Å; I9-A44 HydrophobicContact CG1-CB 4.34Å; F12-A44 HydrophobicContact CD1-CB 3.85Å; F12-A44 VanDerWaalsContact CE1-CA 3.45Å; F12-A44 HydrophobicContact CE1-CB 3.62Å; F12-A44 HydrophobicContact CZ-CB 4.3Å; N40-A44 WeakPolarHBondContact O-CB 3.31Å; N40-A44 PolarHBondContact O-N 2.76Å; V41-A44 PolarHBondContact O-N 2.78Å; M42-A44 VanDerWaalsContact C-N 3.34Å; M42-A44 PolarHBondContact O-N 2.78Å; A44-F47 WeakPolarHBondContact O-CB 3.36Å; A44-F47 PolarHBondContact O-N 3.08Å; A44-A48 PolarHBondContact O-N 3.06Å; A44-V80 HydrophobicContact CB-CG1 4.16Å; A44-V80 HydrophobicContact CB-CG2 4.18Å; A44-V80 WeakPolarHBondContact O-CG1 3.4Å
45L88.4Confident83.9Confident2 Ų226.4 Ų26.41%0.0116%0.163CC..Hα-helixtrans-64.9-48.1175.7-178.5110.3000111.9L4 I7 V41 M42 F47 A48 I49 L82 V134 F1148 I1150L4-L45 HydrophobicContact CD2-CD1 3.81Å; I7-L45 HydrophobicContact CD1-CB 4.44Å; I7-L45 HydrophobicContact CD1-CD1 3.76Å; I7-L45 HydrophobicContact CG1-CD1 4.47Å; V41-L45 PolarHBondContact O-N 2.64Å; M42-L45 PolarHBondContact O-N 3.44Å; L45-F47 VanDerWaalsContact C-N 3.26Å; L45-F47 PolarHBondContact O-N 2.96Å; L45-A48 PolarHBondContact O-N 3.09Å; L45-A48 VanDerWaalsContact O-N 3.09Å; L45-I49 HydrophobicContact CD1-CD1 4.46Å; L45-I49 HydrophobicContact CD2-CD1 3.61Å; L45-I49 HydrophobicContact CG-CD1 3.74Å; L45-I49 HydrophobicContact CG-CG1 4.41Å; L45-I49 WeakPolarHBondContact O-CG1 3.32Å; L45-I49 PolarHBondContact O-N 2.81Å; L45-L82 HydrophobicContact CD1-CD2 3.81Å; L45-L82 HydrophobicContact CG-CD2 4.44Å; L45-V134 HydrophobicContact CD2-CG2 3.92Å; L45-F1148 HydrophobicContact CD1-CE2 4.12Å; L45-F1148 HydrophobicContact CD1-CZ 4.34Å; L45-F1148 HydrophobicContact CD2-CE2 4.23Å; L45-I1150 HydrophobicContact CD1-CD1 3.93Å; L45-I1150 HydrophobicContact CD2-CD1 3.36Å; L45-I1150 HydrophobicContact CD2-CG1 4.46Å; L45-I1150 HydrophobicContact CG-CD1 4.22Å
46S87.8Confident84Confident0 Ų023.8 Ų23.80%013%0.134CC..Hα-helixtrans-56.8-43.5176.5-63.80000111.2M42 A48 I49 G50 E51M42-S46 WeakPolarHBondContact O-CB 3.48Å; M42-S46 PolarHBondContact O-N 2.91Å; M42-S46 PolarHBondContact O-OG 3.45Å; S46-A48 PolarHBondContact O-N 3.03Å; S46-I49 PolarHBondContact O-N 3.4Å; S46-G50 PolarHBondContact O-N 3.07Å; S46-E51 VanDerWaalsContact O-CB 3.29Å; S46-E51 WeakPolarHBondContact O-CB 3.11Å; S46-E51 PolarHBondContact O-N 2.84Å
47F89.8Confident84Confident0 Ų029.7 Ų29.70%016%0.157CC..Hα-helixtrans-58.6-45.9175.2175.9-106.6000112F12 D43 A44 L45 G50 L56 L61 L64 V80 R96 I98F12-F47 HydrophobicContact CD2-CD1 4.44Å; F12-F47 HydrophobicContact CE2-CB 4.15Å; F12-F47 AromaticContact CE2-CD1 3.76Å; F12-F47 HydrophobicContact CE2-CD1 3.76Å; F12-F47 HydrophobicContact CE2-CE1 4.31Å; F12-F47 AromaticContact CE2-CG 3.88Å; F12-F47 HydrophobicContact CE2-CG 3.88Å; F12-F47 HydrophobicContact CZ-CB 4.02Å; F12-F47 HydrophobicContact CZ-CD1 4.43Å; F12-F47 HydrophobicContact CZ-CG 4.26Å; D43-F47 WeakPolarHBondContact O-CB 3.34Å; D43-F47 PolarHBondContact O-N 3.05Å; A44-F47 WeakPolarHBondContact O-CB 3.36Å; A44-F47 PolarHBondContact O-N 3.08Å; L45-F47 VanDerWaalsContact C-N 3.26Å; L45-F47 PolarHBondContact O-N 2.96Å; F47-G50 PolarHBondContact O-N 3.47Å; F47-L56 HydrophobicContact CB-CD1 4.04Å; F47-L56 HydrophobicContact CD2-CD1 3.97Å; F47-L56 HydrophobicContact CG-CD1 4.48Å; F47-L61 HydrophobicContact CE2-CD1 4.11Å; F47-L64 HydrophobicContact CD2-CD1 3.98Å; F47-L64 HydrophobicContact CE2-CD1 4.09Å; F47-V80 HydrophobicContact CD1-CB 4.14Å; F47-V80 HydrophobicContact CD1-CG2 3.88Å; F47-V80 HydrophobicContact CE1-CG2 4.38Å; F47-R96 HydrophobicContact CD1-CB 4.31Å; F47-R96 HydrophobicContact CD1-CG 4.49Å; F47-R96 HydrophobicContact CE1-CB 3.78Å; F47-R96 HydrophobicContact CE1-CG 3.76Å; F47-R96 HydrophobicContact CE2-CG 4.18Å; F47-R96 HydrophobicContact CZ-CB 4.12Å; F47-R96 VanDerWaalsContact CZ-CD 3.44Å; F47-R96 HydrophobicContact CZ-CG 3.55Å; F47-R96 WeakPolarHBondContact O-CD 3.49Å; F47-R96 PolarHBondContact O-NH1 2.96Å; F47-I98 HydrophobicContact CE1-CD1 4.27Å; F47-I98 HydrophobicContact CE1-CG1 4.09Å; F47-I98 HydrophobicContact CE2-CD1 3.99Å; F47-I98 HydrophobicContact CE2-CG1 4.01Å; F47-I98 HydrophobicContact CZ-CD1 3.66Å; F47-I98 HydrophobicContact CZ-CG1 3.34Å
48A89.4Confident84.1Confident0 Ų030.5 Ų30.50%016%0.16CC..Hα-helixtrans-71.2-31.3179.900000113.7A44 L45 S46 G50 V80 L82 Y117A44-A48 PolarHBondContact O-N 3.06Å; L45-A48 PolarHBondContact O-N 3.09Å; L45-A48 VanDerWaalsContact O-N 3.09Å; S46-A48 PolarHBondContact O-N 3.03Å; A48-G50 PolarHBondContact O-N 3.21Å; A48-V80 HydrophobicContact CB-CB 4.21Å; A48-V80 HydrophobicContact CB-CG1 3.84Å; A48-L82 HydrophobicContact CB-CD1 3.73Å; A48-L82 HydrophobicContact CB-CD2 3.97Å; A48-L82 HydrophobicContact CB-CG 3.61Å; A48-Y117 WeakPolarHBondContact O-CE1 2.85Å; A48-Y117 PolarHBondContact O-OH 3.22Å
49I87.3Confident83.8Confident5 Ų539 Ų393%0.02620%0.196CC..Hα-helixtrans-70.1-13.1173.2-69171.5000111.7L45 S46 L82 L121 I126 T128 V134 F1148L45-I49 HydrophobicContact CD1-CD1 4.46Å; L45-I49 HydrophobicContact CD2-CD1 3.61Å; L45-I49 HydrophobicContact CG-CD1 3.74Å; L45-I49 HydrophobicContact CG-CG1 4.41Å; L45-I49 WeakPolarHBondContact O-CG1 3.32Å; L45-I49 PolarHBondContact O-N 2.81Å; S46-I49 PolarHBondContact O-N 3.4Å; I49-L82 HydrophobicContact CG1-CD1 3.87Å; I49-L121 VanDerWaalsContact O-CD1 3.26Å; I49-L121 WeakPolarHBondContact O-CD1 3.37Å; I49-I126 HydrophobicContact CG2-CG2 3.79Å; I49-T128 HydrophobicContact CG2-CG2 3.82Å; I49-T128 WeakPolarHBondContact O-CG2 3.37Å; I49-V134 HydrophobicContact CD1-CG2 4.3Å; I49-F1148 HydrophobicContact CD1-CE2 4.25Å; I49-F1148 HydrophobicContact CD1-CZ 4.05Å
50G82.8Confident83.8Confident8 Ų843.9 Ų43.98%0.08222%0.217CC..THydrogen-bonded Turntrans9921.4174.400000114.1S46 F47 A48S46-G50 PolarHBondContact O-N 3.07Å; F47-G50 PolarHBondContact O-N 3.47Å; A48-G50 PolarHBondContact O-N 3.21Å
51E83Confident83.7Confident26 Ų2643.5 Ų43.512%0.12122%0.215CC..  trans-61.9155.8172.9-81.7-69.8164.200112.6S46 S55 R96 Q131S46-E51 VanDerWaalsContact O-CB 3.29Å; S46-E51 WeakPolarHBondContact O-CB 3.11Å; S46-E51 PolarHBondContact O-N 2.84Å; E51-S55 PolarHBondContact OE2-OG 3.38Å; E51-R96 PolarHBondContact O-NH1 2.67Å; E51-Q131 VanDerWaalsContact OE1-CG 3.22Å; E51-Q131 WeakPolarHBondContact OE1-CG 3.35Å; E51-Q131 PolarHBondContact OE1-NE2 3.21Å; E51-Q131 PolarHBondContact OE2-NE2 2.91Å
52R80.4Confident83.5Confident203 Ų20349.2 Ų49.277%0.76624%0.235SC*.  trans-74.9154.4178.1-67.8-175.6178.5-177.3-1.2110.2A54 S55 L56R52-A54 PolarHBondContact O-N 2.89Å; R52-S55 PolarHBondContact N-OG 3.29Å; R52-S55 PolarHBondContact O-N 2.94Å; R52-S55 VanDerWaalsContact O-N 3.09Å; R52-S55 PolarHBondContact O-OG 3.26Å; R52-L56 PolarHBondContact O-N 3.26Å
53V77.6Confident83.5Confident34 Ų3451.6 Ų51.621%0.20625%0.248CC..G310 helixtrans-60.5-32.8178.3-174.50000111.9S55 L56 L61V53-S55 VanDerWaalsContact C-N 3.3Å; V53-S55 PolarHBondContact O-N 3.34Å; V53-L56 WeakPolarHBondContact O-CB 3.26Å; V53-L56 PolarHBondContact O-N 3.47Å; V53-L56 VanDerWaalsContact O-N 3.09Å; V53-L56 VanDerWaalsContact O-O 3.07Å; V53-L61 HydrophobicContact CG2-CB 4.32Å; V53-L61 HydrophobicContact CG2-CD1 3.43Å; V53-L61 VanDerWaalsContact CG2-CD1 3.43Å; V53-L61 HydrophobicContact CG2-CG 4.49Å
54A76.4Confident83.5Confident100 Ų10051.6 Ų51.683%0.82625%0.248SC*.G310 helixtrans-68.1-22.5178.100000114.6R52R52-A54 PolarHBondContact O-N 2.89Å
55S72.7Confident83.5Confident34 Ų3451.9 Ų51.924%0.23825%0.25CS..G310 helixtrans-85.8-15.1172.3410000112.2E51 R52 V53E51-S55 PolarHBondContact OE2-OG 3.38Å; R52-S55 PolarHBondContact N-OG 3.29Å; R52-S55 PolarHBondContact O-N 2.94Å; R52-S55 VanDerWaalsContact O-N 3.09Å; R52-S55 PolarHBondContact O-OG 3.26Å; V53-S55 VanDerWaalsContact C-N 3.3Å; V53-S55 PolarHBondContact O-N 3.34Å
56L78.7Confident83.4Confident7 Ų752 Ų524%0.03725%0.251CS..THydrogen-bonded Turntrans-83.1151.7168.4-56174.4000109.1D43 F47 R52 V53 V58 L64D43-L56 HydrophobicContact CB-CD2 4.28Å; F47-L56 HydrophobicContact CB-CD1 4.04Å; F47-L56 HydrophobicContact CD2-CD1 3.97Å; F47-L56 HydrophobicContact CG-CD1 4.48Å; R52-L56 PolarHBondContact O-N 3.26Å; V53-L56 WeakPolarHBondContact O-CB 3.26Å; V53-L56 PolarHBondContact O-N 3.47Å; V53-L56 VanDerWaalsContact O-N 3.09Å; V53-L56 VanDerWaalsContact O-O 3.07Å; L56-V58 PolarHBondContact O-N 3.39Å; L56-L64 HydrophobicContact CD1-CD1 3.9Å; L56-L64 HydrophobicContact CD1-CD2 4.25Å
57R81.4Confident83.1Confident124 Ų12452 Ų5247%0.46825%0.251SS..THydrogen-bonded Turntrans-74.946.8-178.5-63.7172.9-66.9163.712113.1S39 D43S39-R57 VanDerWaalsContact CB-CZ 3.44Å; S39-R57 PolarHBondContact O-NH2 3.22Å; D43-R57 IonicContact OD1-NE 3.77Å; D43-R57 PolarHBondContact OD1-NE 3.48Å; D43-R57 IonicContact OD1-NH2 3.59Å; D43-R57 IonicContact OD2-CZ 3.46Å; D43-R57 IonicContact OD2-NE 3.43Å; D43-R57 PolarHBondContact OD2-NE 3.31Å; D43-R57 IonicContact OD2-NH2 2.79Å; D43-R57 PolarHBondContact OD2-NH2 2.71Å
58V82Confident82.7Confident29 Ų2953 Ų5318%0.17626%0.26CS..  trans-151.9145-170.5-174.80000110.7L56 H60 D63 L64L56-V58 PolarHBondContact O-N 3.39Å; V58-H60 WeakPolarHBondContact CG1-O 3.1Å; V58-D63 HydrophobicContact CG1-CB 3.32Å; V58-L64 HydrophobicContact CB-CD2 4.21Å; V58-L64 HydrophobicContact CG1-CD2 4.47Å; V58-L64 HydrophobicContact CG1-CG 4.46Å; V58-L64 HydrophobicContact CG2-CD2 3.69Å
59K80.8Confident82Confident187 Ų18758.7 Ų58.781%0.81329%0.286SS*.SBendtrans-84.9-43.4-179.9-68.2-174.3-179.6179.40113.7
60H83.1Confident81.5Confident121 Ų12163.2 Ų63.256%0.5631%0.309SS*.SBendtrans-117.6149.4-178-57.1-71.2000112V58 R62 D63V58-H60 WeakPolarHBondContact CG1-O 3.1Å; H60-R62 VanDerWaalsContact C-N 3.26Å; H60-R62 PolarHBondContact O-N 3.21Å; H60-D63 WeakPolarHBondContact CB-OD2 3.41Å; H60-D63 IonicContact CD2-OD2 2.79Å; H60-D63 IonicContact CG-OD2 2.95Å; H60-D63 PolarHBondContact N-OD2 3.48Å; H60-D63 WeakPolarHBondContact O-CB 3.3Å; H60-D63 PolarHBondContact O-N 3.48Å
61L84.6Confident81.2Confident22 Ų2265.9 Ų65.912%0.11534%0.337CS..G310 helixtrans-61-35.8179.8-165.288000111.9F47 V53 D63 L64 I98 S102F47-L61 HydrophobicContact CE2-CD1 4.11Å; V53-L61 HydrophobicContact CG2-CB 4.32Å; V53-L61 HydrophobicContact CG2-CD1 3.43Å; V53-L61 VanDerWaalsContact CG2-CD1 3.43Å; V53-L61 HydrophobicContact CG2-CG 4.49Å; L61-D63 VanDerWaalsContact C-N 3.27Å; L61-D63 PolarHBondContact O-N 3.02Å; L61-L64 HydrophobicContact CD1-CD1 4.21Å; L61-L64 VanDerWaalsContact O-CB 3.3Å; L61-L64 WeakPolarHBondContact O-CB 3.43Å; L61-L64 PolarHBondContact O-N 3.03Å; L61-I98 HydrophobicContact CD2-CG1 4.4Å; L61-I98 HydrophobicContact CD2-CG2 3.82Å; L61-I98 HydrophobicContact CG-CD1 4.27Å; L61-I98 HydrophobicContact CG-CG1 4.36Å; L61-I98 HydrophobicContact CG-CG2 4.16Å; L61-S102 VanDerWaalsContact CD2-C 3.49Å; L61-S102 WeakPolarHBondContact CD2-O 3.34Å
62R84.3Confident81.1Confident126 Ų12672.6 Ų72.648%0.47537%0.365SS..G310 helixtrans-62.4-31.4178.3-74.2-173.8178.1169.78.8113.7H60 L64 V65 A68 G100 D101H60-R62 VanDerWaalsContact C-N 3.26Å; H60-R62 PolarHBondContact O-N 3.21Å; R62-L64 PolarHBondContact O-N 3.25Å; R62-L64 VanDerWaalsContact O-N 3.16Å; R62-V65 WeakPolarHBondContact O-CB 3.36Å; R62-V65 WeakPolarHBondContact O-CG2 3.39Å; R62-V65 PolarHBondContact O-N 3.41Å; R62-A68 VanDerWaalsContact O-CB 3.26Å; R62-A68 WeakPolarHBondContact O-CB 2.92Å; R62-G100 VanDerWaalsContact CG-O 3.28Å; R62-G100 WeakPolarHBondContact CG-O 2.91Å; R62-D101 VanDerWaalsContact CD-OD1 3.25Å; R62-D101 WeakPolarHBondContact CD-OD1 3.35Å; R62-D101 WeakPolarHBondContact CG-OD1 3.42Å; R62-D101 IonicContact CZ-OD1 3.96Å; R62-D101 IonicContact CZ-OD2 2.81Å; R62-D101 VanDerWaalsContact CZ-OD2 3.24Å; R62-D101 VanDerWaalsContact NE-CG 3.35Å; R62-D101 IonicContact NE-OD1 2.69Å; R62-D101 PolarHBondContact NE-OD1 3.15Å; R62-D101 IonicContact NE-OD2 3.89Å; R62-D101 IonicContact NH1-OD1 3.41Å; R62-D101 IonicContact NH1-OD2 3.77Å; R62-D101 IonicContact NH2-OD1 3.45Å; R62-D101 PolarHBondContact NH2-OD1 3.09Å; R62-D101 IonicContact NH2-OD2 3.02Å; R62-D101 PolarHBondContact NH2-OD2 3.41Å
63D86.1Confident81.2Confident55 Ų5566.4 Ų66.429%0.29435%0.351SS..G310 helixtrans-69.8-11.5-179.3-59.3-24.6000112.1V58 H60 L61 V65V58-D63 HydrophobicContact CG1-CB 3.32Å; H60-D63 WeakPolarHBondContact CB-OD2 3.41Å; H60-D63 IonicContact CD2-OD2 2.79Å; H60-D63 IonicContact CG-OD2 2.95Å; H60-D63 PolarHBondContact N-OD2 3.48Å; H60-D63 WeakPolarHBondContact O-CB 3.3Å; H60-D63 PolarHBondContact O-N 3.48Å; L61-D63 VanDerWaalsContact C-N 3.27Å; L61-D63 PolarHBondContact O-N 3.02Å; D63-V65 VanDerWaalsContact C-N 3.25Å
64L87.9Confident81.3Confident0 Ų068.2 Ų68.20%036%0.363CS..G310 helixtrans-75.7-13.3171.4-64.3168.6000112.7F12 K13 F47 L56 V58 L61 R62 I98F12-L64 CarbonylContact C-O 3.5Å; F12-L64 WeakPolarHBondContact CA-O 3.47Å; F12-L64 HydrophobicContact CD2-CB 4.34Å; F12-L64 HydrophobicContact CE2-CB 3.96Å; F12-L64 HydrophobicContact CE2-CD1 4.31Å; F12-L64 HydrophobicContact CE2-CD2 4.06Å; F12-L64 HydrophobicContact CE2-CG 4.35Å; F12-L64 HydrophobicContact CZ-CD2 3.9Å; K13-L64 HydrophobicContact CD-CD2 4.38Å; K13-L64 VanDerWaalsContact CE-CD2 3.48Å; K13-L64 HydrophobicContact CG-CD2 4.18Å; K13-L64 PolarHBondContact N-O 3.3Å; F47-L64 HydrophobicContact CD2-CD1 3.98Å; F47-L64 HydrophobicContact CE2-CD1 4.09Å; L56-L64 HydrophobicContact CD1-CD1 3.9Å; L56-L64 HydrophobicContact CD1-CD2 4.25Å; V58-L64 HydrophobicContact CB-CD2 4.21Å; V58-L64 HydrophobicContact CG1-CD2 4.47Å; V58-L64 HydrophobicContact CG1-CG 4.46Å; V58-L64 HydrophobicContact CG2-CD2 3.69Å; L61-L64 HydrophobicContact CD1-CD1 4.21Å; L61-L64 VanDerWaalsContact O-CB 3.3Å; L61-L64 WeakPolarHBondContact O-CB 3.43Å; L61-L64 PolarHBondContact O-N 3.03Å; R62-L64 PolarHBondContact O-N 3.25Å; R62-L64 VanDerWaalsContact O-N 3.16Å; L64-I98 HydrophobicContact CB-CD1 3.61Å; L64-I98 HydrophobicContact CD1-CD1 3.86Å; L64-I98 HydrophobicContact CG-CD1 4.38Å
65V88.6Confident81.5Confident7 Ų765.1 Ų65.14%0.04234%0.335CS..BIsolated β-bridgetrans-77.9136.4174.7-177.70000109.7R62 D63 G67 A68 S75 A78 I98R62-V65 WeakPolarHBondContact O-CB 3.36Å; R62-V65 WeakPolarHBondContact O-CG2 3.39Å; R62-V65 PolarHBondContact O-N 3.41Å; D63-V65 VanDerWaalsContact C-N 3.25Å; V65-G67 PolarHBondContact O-N 2.75Å; V65-A68 HydrophobicContact CB-CB 4.28Å; V65-A68 VanDerWaalsContact O-CB 3.23Å; V65-A68 WeakPolarHBondContact O-CB 3.09Å; V65-A68 PolarHBondContact O-N 3.43Å; V65-A68 VanDerWaalsContact O-N 3.11Å; V65-S75 VanDerWaalsContact CG1-O 3.24Å; V65-S75 WeakPolarHBondContact CG1-O 3.5Å; V65-A78 HydrophobicContact CG2-CB 4.01Å; V65-I98 HydrophobicContact CG2-CG2 4.31Å
66H86.8Confident82Confident3 Ų370 Ų701%0.01436%0.358CS..THydrogen-bonded Turntrans-57.9130-179.7-179.568.8000111.9N11 K13 A68 P73 V74N11-H66 PolarHBondContact O-N 3.16Å; K13-H66 VanDerWaalsContact O-CA 3.3Å; K13-H66 WeakPolarHBondContact O-CA 3.49Å; K13-H66 WeakPolarHBondContact O-CB 3.42Å; K13-H66 PolarHBondContact O-ND1 3.46Å; H66-A68 VanDerWaalsContact C-N 3.3Å; H66-A68 PolarHBondContact O-N 3.45Å; H66-P73 WeakPolarHBondContact O-CA 2.86Å; H66-V74 PolarHBondContact O-N 3.45Å
67G80.4Confident82.4Confident2 Ų272.3 Ų72.32%0.02137%0.373CS..THydrogen-bonded Turntrans82.6-9.8-17800000115.9V65 H69 I70 G71 K72V65-G67 PolarHBondContact O-N 2.75Å; G67-H69 PolarHBondContact O-N 3.43Å; G67-I70 PolarHBondContact O-N 3.38Å; G67-G71 PolarHBondContact O-N 2.97Å; G67-K72 CarbonylContact C-O 3.48Å; G67-K72 VanDerWaalsContact CA-O 3.29Å; G67-K72 WeakPolarHBondContact CA-O 3.48Å; G67-K72 CarbonylContact O-C 3.45Å; G67-K72 PolarHBondContact O-N 3.18Å
68A82Confident82.9Confident21 Ų2166.4 Ų66.417%0.17435%0.351CS..G310 helixtrans-63.2-38.2-179.100000113.2R62 V65 H66 I70 G71 P73R62-A68 VanDerWaalsContact O-CB 3.26Å; R62-A68 WeakPolarHBondContact O-CB 2.92Å; V65-A68 HydrophobicContact CB-CB 4.28Å; V65-A68 VanDerWaalsContact O-CB 3.23Å; V65-A68 WeakPolarHBondContact O-CB 3.09Å; V65-A68 PolarHBondContact O-N 3.43Å; V65-A68 VanDerWaalsContact O-N 3.11Å; H66-A68 VanDerWaalsContact C-N 3.3Å; H66-A68 PolarHBondContact O-N 3.45Å; A68-I70 PolarHBondContact O-N 3.18Å; A68-G71 PolarHBondContact O-N 2.66Å; A68-P73 HydrophobicContact CB-CB 4.34Å
69H74.4Confident83.5Confident119 Ų11969.5 Ų69.555%0.55136%0.359SS*.G310 helixtrans-65.7-17.2178.464.2-76.7000114.7G67G67-H69 PolarHBondContact O-N 3.43Å
70I77.6Confident84.1Confident100 Ų10060.6 Ų60.651%0.51332%0.32SS..G310 helixtrans-105.19.3175.9-39.8-177.4000110.3G67 A68 K72 C1206G67-I70 PolarHBondContact O-N 3.38Å; A68-I70 PolarHBondContact O-N 3.18Å; I70-K72 VanDerWaalsContact C-N 3.25Å; I70-K72 PolarHBondContact O-N 3.34Å; I70-C1206 HydrophobicContact CD1-CB 4.32Å; I70-C1206 WeakPolarHBondContact CD1-SG 3.48Å
71G77.3Confident84.6Confident64 Ų6455 Ų5566%0.6630%0.295SS*.THydrogen-bonded Turntrans71.813.5-178.500000114.7G67 A68G67-G71 PolarHBondContact O-N 2.97Å; A68-G71 PolarHBondContact O-N 2.66Å
72K80.9Confident85Confident166 Ų16654.2 Ų54.272%0.72229%0.291SS*.  trans-129.770.2179.3-65.3-175-178.4179.10110.6G67 I70 V74G67-K72 CarbonylContact C-O 3.48Å; G67-K72 VanDerWaalsContact CA-O 3.29Å; G67-K72 WeakPolarHBondContact CA-O 3.48Å; G67-K72 CarbonylContact O-C 3.45Å; G67-K72 PolarHBondContact O-N 3.18Å; I70-K72 VanDerWaalsContact C-N 3.25Å; I70-K72 PolarHBondContact O-N 3.34Å; K72-V74 PolarHBondContact O-N 2.89Å
73P81.2Confident85.4Confident73 Ų7351.4 Ų51.447%0.47428%0.281SS..  trans-62.4134.7178.527.4-33.8000110.7H66 A68 S75H66-P73 WeakPolarHBondContact O-CA 2.86Å; A68-P73 HydrophobicContact CB-CB 4.34Å; P73-S75 VanDerWaalsContact C-N 3.33Å
74V79.8Confident85.6Confident73 Ų7349.4 Ų49.444%0.44227%0.269SS..SBendtrans-81.3-16.3-178.41790000112.2H66 K72H66-V74 PolarHBondContact O-N 3.45Å; K72-V74 PolarHBondContact O-N 2.89Å
75S81.6Confident85.7Confident35 Ų3550.7 Ų50.725%0.24528%0.276CS..  trans-156.2165.3178.7-177.10000109.8V65 P73 T77V65-S75 VanDerWaalsContact CG1-O 3.24Å; V65-S75 WeakPolarHBondContact CG1-O 3.5Å; P73-S75 VanDerWaalsContact C-N 3.33Å; S75-T77 VanDerWaalsContact C-N 3.34Å; S75-T77 PolarHBondContact OG-N 2.89Å; S75-T77 PolarHBondContact OG-O 3.37Å; S75-T77 PolarHBondContact OG-OG1 3.2Å
76D82.2Confident85.4Confident135 Ų13552.6 Ų52.672%0.72229%0.286SS*.SBendtrans-88.7-4.7169.4-69.9-34000112.9
77T88.3Confident85Confident56 Ų5657.7 Ų57.734%0.34431%0.313SS..EExtended strand (participates in β ladder)trans-132.4139.8-17864.50000112.4S75 I98 T99S75-T77 VanDerWaalsContact C-N 3.34Å; S75-T77 PolarHBondContact OG-N 2.89Å; S75-T77 PolarHBondContact OG-O 3.37Å; S75-T77 PolarHBondContact OG-OG1 3.2Å; T77-I98 VanDerWaalsContact CA-O 3.26Å; T77-I98 WeakPolarHBondContact CA-O 3.36Å; T77-I98 WeakPolarHBondContact CB-O 3.22Å; T77-T99 HydrophobicContact CG2-CG2 4.41Å
78A91.8Very high85Confident1 Ų163.7 Ų63.71%0.00835%0.345CS..EExtended strand (participates in β ladder)trans-128.9143.6168.600000109.4E10 N11 V65 T97 I98E10-A78 WeakPolarHBondContact O-CA 3.21Å; N11-A78 VanDerWaalsContact O-CB 3.3Å; N11-A78 WeakPolarHBondContact O-CB 3.19Å; V65-A78 HydrophobicContact CG2-CB 4.01Å; A78-T97 CarbonylContact O-C 3.54Å; A78-T97 WeakPolarHBondContact O-CA 3.5Å; A78-I98 HydrophobicContact CB-CB 4.45Å; A78-I98 HydrophobicContact CB-CD1 4.31Å; A78-I98 PolarHBondContact N-O 3.49Å; A78-I98 PolarHBondContact O-N 3.18Å
79R92.8Very high84.7Confident93 Ų9370.6 Ų70.635%0.35137%0.373SS..EExtended strand (participates in β ladder)trans-134.9138.9-176.4-179179.2-179.6-167.61.6110.5E10 S95 T97E10-R79 HydrophobicContact CB-CB 4.26Å; E10-R79 PolarHBondContact N-O 3.05Å; E10-R79 PolarHBondContact O-N 3.08Å; R79-S95 PolarHBondContact NH2-OG 2.81Å; R79-T97 HydrophobicContact CB-CG2 4.31Å
80V94.8Very high85.1Confident0 Ų073.5 Ų73.50%038%0.38CS..EExtended strand (participates in β ladder)trans-127133167.9-174.40000108.6I7 D8 I9 F12 A44 F47 A48 S95 R96I7-V80 HydrophobicContact CG2-CG1 3.94Å; D8-V80 CarbonylContact O-C 3.46Å; D8-V80 WeakPolarHBondContact O-CA 3.06Å; I9-V80 HydrophobicContact CG1-CG1 4.34Å; F12-V80 HydrophobicContact CB-CG2 4.25Å; F12-V80 HydrophobicContact CD1-CG2 4.4Å; F12-V80 HydrophobicContact CD2-CG2 3.7Å; F12-V80 HydrophobicContact CE2-CG2 4.07Å; F12-V80 HydrophobicContact CG-CG2 3.87Å; A44-V80 HydrophobicContact CB-CG1 4.16Å; A44-V80 HydrophobicContact CB-CG2 4.18Å; A44-V80 WeakPolarHBondContact O-CG1 3.4Å; F47-V80 HydrophobicContact CD1-CB 4.14Å; F47-V80 HydrophobicContact CD1-CG2 3.88Å; F47-V80 HydrophobicContact CE1-CG2 4.38Å; A48-V80 HydrophobicContact CB-CB 4.21Å; A48-V80 HydrophobicContact CB-CG1 3.84Å; V80-S95 CarbonylContact O-C 3.57Å; V80-S95 VanDerWaalsContact O-CA 3.23Å; V80-S95 WeakPolarHBondContact O-CA 3.46Å; V80-S95 WeakPolarHBondContact O-CB 3.43Å; V80-R96 PolarHBondContact N-O 2.71Å; V80-R96 PolarHBondContact O-N 3.35Å
81A93.4Very high85.6Confident4 Ų471.9 Ų71.93%0.03337%0.37CS..EExtended strand (participates in β ladder)trans-129.5129.9177.300000111.5I7 D8 I93 F94I7-A81 CarbonylContact C-O 3.59Å; I7-A81 WeakPolarHBondContact CA-O 3.45Å; D8-A81 HydrophobicContact CB-CB 4.27Å; D8-A81 PolarHBondContact N-O 2.98Å; D8-A81 PolarHBondContact O-N 3.09Å; A81-I93 HydrophobicContact CB-CG2 4.13Å; A81-F94 CarbonylContact C-O 3.55Å; A81-F94 VanDerWaalsContact CA-O 3.29Å; A81-F94 WeakPolarHBondContact CA-O 3.44Å
82L92.7Very high86.2Confident5 Ų569.9 Ų69.93%0.02635%0.345CS..EExtended strand (participates in β ladder)trans-98.1126.9173.6-51.9175.7000108.5L4 I7 L45 A48 I49 I93 F94L4-L82 HydrophobicContact CD1-CB 4.12Å; L4-L82 HydrophobicContact CD1-CD2 4.47Å; I7-L82 HydrophobicContact CB-CD2 4.43Å; I7-L82 HydrophobicContact CD1-CD2 4.3Å; I7-L82 HydrophobicContact CG1-CD2 3.75Å; I7-L82 HydrophobicContact CG2-CD2 4.06Å; L45-L82 HydrophobicContact CD1-CD2 3.81Å; L45-L82 HydrophobicContact CG-CD2 4.44Å; A48-L82 HydrophobicContact CB-CD1 3.73Å; A48-L82 HydrophobicContact CB-CD2 3.97Å; A48-L82 HydrophobicContact CB-CG 3.61Å; I49-L82 HydrophobicContact CG1-CD1 3.87Å; L82-I93 WeakPolarHBondContact O-CA 3.06Å; L82-F94 HydrophobicContact CB-CB 4.3Å; L82-F94 PolarHBondContact N-O 3.32Å; L82-F94 PolarHBondContact O-N 3.46Å
83R92.4Very high86.8Confident68 Ų6864 Ų6426%0.25732%0.321SS..EExtended strand (participates in β ladder)trans-101.3106.5171.5-68.5178.1-177.4-120.611.1109K5 Q6 D8 E91 I93K5-R83 WeakPolarHBondContact CB-O 3.49Å; K5-R83 PolarHBondContact N-O 3.48Å; Q6-R83 HydrophobicContact CG-CB 4.09Å; Q6-R83 HydrophobicContact CG-CG 4.27Å; Q6-R83 PolarHBondContact O-N 2.57Å; D8-R83 IonicContact OD1-NE 2.65Å; D8-R83 IonicContact OD2-CZ 3.24Å; D8-R83 IonicContact OD2-NE 3.28Å; D8-R83 PolarHBondContact OD2-NE 2.99Å; D8-R83 IonicContact OD2-NH2 3.07Å; D8-R83 PolarHBondContact OD2-NH2 2.93Å; R83-E91 VanDerWaalsContact CD-OE1 3.24Å; R83-E91 WeakPolarHBondContact CD-OE1 2.95Å; R83-E91 IonicContact CZ-OE1 3.84Å; R83-E91 IonicContact NE-OE1 3.85Å; R83-E91 IonicContact NH1-OE1 2.7Å; R83-E91 PolarHBondContact NH1-OE1 3.16Å; R83-I93 HydrophobicContact CG-CG1 4.23Å
84F90.6Very high87.4Confident12 Ų1260.7 Ų60.75%0.05330%0.299CS..EExtended strand (participates in β ladder)trans-102.9131.3179.7-175.7-110.8000109.7Y3 N86 E91 T92 F94 I124 P1147Y3-F84 WeakPolarHBondContact O-CD2 3.26Å; F84-N86 WeakPolarHBondContact CD1-OD1 3.33Å; F84-N86 WeakPolarHBondContact CE1-OD1 3.15Å; F84-E91 CarbonylContact O-C 3.6Å; F84-E91 WeakPolarHBondContact O-CA 3.42Å; F84-T92 PolarHBondContact N-O 3.43Å; F84-T92 PolarHBondContact O-N 3.47Å; F84-F94 HydrophobicContact CB-CD2 4.48Å; F84-F94 HydrophobicContact CB-CE2 4.47Å; F84-I124 HydrophobicContact CD1-CD1 3.93Å; F84-I124 HydrophobicContact CD1-CG2 4.05Å; F84-I124 HydrophobicContact CE1-CB 4.47Å; F84-I124 HydrophobicContact CE1-CD1 4.13Å; F84-I124 HydrophobicContact CE1-CG1 4.22Å; F84-I124 HydrophobicContact CE1-CG2 3.42Å; F84-I124 VanDerWaalsContact CE1-CG2 3.42Å; F84-I124 HydrophobicContact CE2-CG2 4.29Å; F84-I124 HydrophobicContact CZ-CG2 3.57Å; F84-P1147 HydrophobicContact CE2-CB 3.54Å; F84-P1147 HydrophobicContact CE2-CG 3.7Å; F84-P1147 HydrophobicContact CZ-CB 3.62Å; F84-P1147 HydrophobicContact CZ-CG 3.87Å
85L89.3Confident88Confident28 Ų2857.2 Ų57.215%0.14728%0.278CS..EExtended strand (participates in β ladder)trans-101.4121.5173.5-163.976.7000108.4G2 Y3 E89 E91G2-L85 CarbonylContact C-O 3.57Å; G2-L85 WeakPolarHBondContact CA-O 2.96Å; Y3-L85 HydrophobicContact CE1-CB 4.24Å; Y3-L85 HydrophobicContact CE1-CD2 3.59Å; Y3-L85 PolarHBondContact N-O 2.89Å; Y3-L85 PolarHBondContact O-N 3.08Å; L85-E89 WeakPolarHBondContact CD1-O 3.49Å; L85-E91 HydrophobicContact CD1-CB 4.23Å
86N83Confident88.5Confident46 Ų4656 Ų5625%0.24627%0.268CS..PPolyproline II helixtrans-76.2170.8176.7-69.1-1.9000111.6F84 D88 E89 R90F84-N86 WeakPolarHBondContact CD1-OD1 3.33Å; F84-N86 WeakPolarHBondContact CE1-OD1 3.15Å; N86-D88 PolarHBondContact O-N 3.35Å; N86-E89 PolarHBondContact O-N 3.14Å; N86-E89 VanDerWaalsContact O-N 3.08Å; N86-R90 PolarHBondContact N-O 3.4Å
87D78.9Confident89Confident111 Ų11150.8 Ų50.859%0.59424%0.241SC*.THydrogen-bonded Turntrans-56.2-32.2172.2-71.6-40000113.8M1 G2 E89M1-D87 WeakPolarHBondContact CA-OD1 3.33Å; M1-D87 PolarHBondContact N-OD1 3.5Å; G2-D87 PolarHBondContact N-OD1 3.03Å; D87-E89 PolarHBondContact O-N 3Å
88D79.4Confident89.1Confident128 Ų12848.1 Ų48.168%0.68422%0.224SC*.THydrogen-bonded Turntrans-83.217.1178.1-54.9-36.5000113.5N86 R90N86-D88 PolarHBondContact O-N 3.35Å; D88-R90 HydrophobicContact CB-CG 4.44Å; D88-R90 PolarHBondContact O-N 3.41Å
89E75.5Confident88.8Confident165 Ų16551.4 Ų51.477%0.77125%0.245SC*.SBendtrans5814.1-175.4-57.3-171.8159.200115.4L85 N86 D87L85-E89 WeakPolarHBondContact CD1-O 3.49Å; N86-E89 PolarHBondContact O-N 3.14Å; N86-E89 VanDerWaalsContact O-N 3.08Å; D87-E89 PolarHBondContact O-N 3Å
90R83.6Confident88.1Confident180 Ų18048.5 Ų48.568%0.67924%0.243SC*.  trans-82.1125.6175.7-66.9-177.1-179-177.61.8110.9N86 D88N86-R90 PolarHBondContact N-O 3.4Å; D88-R90 HydrophobicContact CB-CG 4.44Å; D88-R90 PolarHBondContact O-N 3.41Å
91E88.3Confident87.4Confident66 Ų6653.9 Ų53.931%0.30827%0.272SS..EExtended strand (participates in β ladder)trans-83.4120.1176.4-168.6172.3143.500110.4K5 R83 F84 L85K5-E91 IonicContact NZ-OE2 3.63Å; K5-E91 PolarHBondContact NZ-OE2 3.27Å; R83-E91 VanDerWaalsContact CD-OE1 3.24Å; R83-E91 WeakPolarHBondContact CD-OE1 2.95Å; R83-E91 IonicContact CZ-OE1 3.84Å; R83-E91 IonicContact NE-OE1 3.85Å; R83-E91 IonicContact NH1-OE1 2.7Å; R83-E91 PolarHBondContact NH1-OE1 3.16Å; F84-E91 CarbonylContact O-C 3.6Å; F84-E91 WeakPolarHBondContact O-CA 3.42Å; L85-E91 HydrophobicContact CD1-CB 4.23Å
92T90.3Very high86.9Confident22 Ų2257.1 Ų57.114%0.13530%0.295CS..EExtended strand (participates in β ladder)trans-111.4127.9174.4-51.90000109.6F84 F94 I107F84-T92 PolarHBondContact N-O 3.43Å; F84-T92 PolarHBondContact O-N 3.47Å; T92-F94 HydrophobicContact CG2-CD2 4.13Å; T92-F94 HydrophobicContact CG2-CE1 4.48Å; T92-F94 HydrophobicContact CG2-CE2 3.49Å; T92-F94 VanDerWaalsContact CG2-CE2 3.49Å; T92-F94 HydrophobicContact CG2-CZ 3.69Å; T92-I107 HydrophobicContact CG2-CG2 4.14Å
93I92.9Very high86.7Confident42 Ų4258.4 Ų58.422%0.21530%0.304CS..EExtended strand (participates in β ladder)trans-107.1109.3-177.2-50.4-177000109.8A81 L82 R83 I107 N108A81-I93 HydrophobicContact CB-CG2 4.13Å; L82-I93 WeakPolarHBondContact O-CA 3.06Å; R83-I93 HydrophobicContact CG-CG1 4.23Å; I93-I107 CarbonylContact O-C 3.55Å; I93-I107 WeakPolarHBondContact O-CA 3.16Å; I93-N108 PolarHBondContact N-OD1 2.87Å; I93-N108 PolarHBondContact O-N 3.24Å
94F93.1Very high86.6Confident4 Ų456.2 Ų56.22%0.01830%0.301CS..EExtended strand (participates in β ladder)trans-95.8117174.5-69.8-81.9000109A81 L82 F84 T92 I107 Y117 E120 L121 I124A81-F94 CarbonylContact C-O 3.55Å; A81-F94 VanDerWaalsContact CA-O 3.29Å; A81-F94 WeakPolarHBondContact CA-O 3.44Å; L82-F94 HydrophobicContact CB-CB 4.3Å; L82-F94 PolarHBondContact N-O 3.32Å; L82-F94 PolarHBondContact O-N 3.46Å; F84-F94 HydrophobicContact CB-CD2 4.48Å; F84-F94 HydrophobicContact CB-CE2 4.47Å; T92-F94 HydrophobicContact CG2-CD2 4.13Å; T92-F94 HydrophobicContact CG2-CE1 4.48Å; T92-F94 HydrophobicContact CG2-CE2 3.49Å; T92-F94 VanDerWaalsContact CG2-CE2 3.49Å; T92-F94 HydrophobicContact CG2-CZ 3.69Å; F94-I107 HydrophobicContact CD1-CG1 4.12Å; F94-I107 HydrophobicContact CE1-CD1 4.15Å; F94-I107 HydrophobicContact CE1-CG1 4.19Å; F94-Y117 HydrophobicContact CB-CE2 4.22Å; F94-Y117 WeakPolarHBondContact CB-OH 3.07Å; F94-Y117 HydrophobicContact CD1-CD2 4.37Å; F94-Y117 AromaticContact CD1-CE2 3.79Å; F94-Y117 HydrophobicContact CD1-CE2 3.79Å; F94-Y117 AromaticContact CD1-CZ 3.99Å; F94-E120 HydrophobicContact CE1-CB 4.08Å; F94-E120 HydrophobicContact CZ-CB 4.46Å; F94-L121 HydrophobicContact CD1-CD2 3.87Å; F94-L121 HydrophobicContact CD1-CG 4.24Å; F94-L121 HydrophobicContact CD2-CD2 4.35Å; F94-L121 HydrophobicContact CE1-CD2 3.89Å; F94-L121 HydrophobicContact CE1-CG 4.14Å; F94-L121 HydrophobicContact CE2-CD2 4.37Å; F94-L121 HydrophobicContact CG-CD2 4.11Å; F94-L121 HydrophobicContact CZ-CD2 4.16Å; F94-I124 HydrophobicContact CE2-CD1 3.44Å; F94-I124 VanDerWaalsContact CE2-CD1 3.44Å; F94-I124 HydrophobicContact CZ-CD1 3.36Å
95S93.1Very high86.8Confident0 Ų056.9 Ų56.90%030%0.303CS..EExtended strand (participates in β ladder)trans-135141.1-178.9650000114R79 V80 H106R79-S95 PolarHBondContact NH2-OG 2.81Å; V80-S95 CarbonylContact O-C 3.57Å; V80-S95 VanDerWaalsContact O-CA 3.23Å; V80-S95 WeakPolarHBondContact O-CA 3.46Å; V80-S95 WeakPolarHBondContact O-CB 3.43Å; S95-H106 PolarHBondContact N-O 3.27Å; S95-H106 PolarHBondContact O-N 3.42Å; S95-H106 WeakPolarHBondContact OG-CB 3.3Å
96R93Very high86.9Confident11 Ų1157.4 Ų57.44%0.04230%0.304CS..EExtended strand (participates in β ladder)trans-123.1128.1177.5-167.6-179.4179.7-177.7-1.8109F47 E51 V80 S103 A104 Y105F47-R96 HydrophobicContact CD1-CB 4.31Å; F47-R96 HydrophobicContact CD1-CG 4.49Å; F47-R96 HydrophobicContact CE1-CB 3.78Å; F47-R96 HydrophobicContact CE1-CG 3.76Å; F47-R96 HydrophobicContact CE2-CG 4.18Å; F47-R96 HydrophobicContact CZ-CB 4.12Å; F47-R96 VanDerWaalsContact CZ-CD 3.44Å; F47-R96 HydrophobicContact CZ-CG 3.55Å; F47-R96 WeakPolarHBondContact O-CD 3.49Å; F47-R96 PolarHBondContact O-NH1 2.96Å; E51-R96 PolarHBondContact O-NH1 2.67Å; V80-R96 PolarHBondContact N-O 2.71Å; V80-R96 PolarHBondContact O-N 3.35Å; R96-S103 PolarHBondContact NE-OG 3.07Å; R96-S103 PolarHBondContact NH2-OG 3.36Å; R96-S103 VanDerWaalsContact NH2-OG 3.17Å; R96-A104 WeakPolarHBondContact CA-O 2.84Å; R96-Y105 HydrophobicContact CG-CD1 4.05Å; R96-Y105 HydrophobicContact CG-CE1 3.97Å; R96-Y105 VanDerWaalsContact CZ-OH 3.26Å; R96-Y105 PolarHBondContact NE-OH 3.22Å; R96-Y105 PolarHBondContact NH2-OH 2.99Å; R96-Y105 VanDerWaalsContact NH2-OH 3.1Å
97T91.5Very high87.4Confident24 Ų2456 Ų5615%0.14730%0.297CS..EExtended strand (participates in β ladder)trans-118.2136.3-177.5-520000109.5A78 R79 S103 A104A78-T97 CarbonylContact O-C 3.54Å; A78-T97 WeakPolarHBondContact O-CA 3.5Å; R79-T97 HydrophobicContact CB-CG2 4.31Å; T97-S103 CarbonylContact O-C 3.59Å; T97-S103 VanDerWaalsContact O-CA 3.25Å; T97-S103 WeakPolarHBondContact O-CA 3.25Å; T97-A104 PolarHBondContact N-O 2.79Å; T97-A104 PolarHBondContact O-N 3.35Å
98I90.4Very high87.9Confident0 Ų055 Ų550%029%0.292CS..EExtended strand (participates in β ladder)trans-92.9129.6173.1-57.1178.8000107.5F47 L61 L64 V65 T77 A78F47-I98 HydrophobicContact CE1-CD1 4.27Å; F47-I98 HydrophobicContact CE1-CG1 4.09Å; F47-I98 HydrophobicContact CE2-CD1 3.99Å; F47-I98 HydrophobicContact CE2-CG1 4.01Å; F47-I98 HydrophobicContact CZ-CD1 3.66Å; F47-I98 HydrophobicContact CZ-CG1 3.34Å; L61-I98 HydrophobicContact CD2-CG1 4.4Å; L61-I98 HydrophobicContact CD2-CG2 3.82Å; L61-I98 HydrophobicContact CG-CD1 4.27Å; L61-I98 HydrophobicContact CG-CG1 4.36Å; L61-I98 HydrophobicContact CG-CG2 4.16Å; L64-I98 HydrophobicContact CB-CD1 3.61Å; L64-I98 HydrophobicContact CD1-CD1 3.86Å; L64-I98 HydrophobicContact CG-CD1 4.38Å; V65-I98 HydrophobicContact CG2-CG2 4.31Å; T77-I98 VanDerWaalsContact CA-O 3.26Å; T77-I98 WeakPolarHBondContact CA-O 3.36Å; T77-I98 WeakPolarHBondContact CB-O 3.22Å; A78-I98 HydrophobicContact CB-CB 4.45Å; A78-I98 HydrophobicContact CB-CD1 4.31Å; A78-I98 PolarHBondContact N-O 3.49Å; A78-I98 PolarHBondContact O-N 3.18Å
99T86.1Confident88.1Confident71 Ų7152.6 Ų52.644%0.43629%0.289SS..EExtended strand (participates in β ladder)trans-137.4106.1174.6-48.30000108T77 D101 S102T77-T99 HydrophobicContact CG2-CG2 4.41Å; T99-D101 PolarHBondContact O-N 2.87Å; T99-S102 PolarHBondContact N-O 2.79Å; T99-S102 PolarHBondContact O-N 3.39Å; T99-S102 VanDerWaalsContact O-N 3.12Å; T99-S102 PolarHBondContact O-OG 3.3Å
100G78.7Confident88.8Confident31 Ų3147.9 Ų47.932%0.3227%0.274SS..THydrogen-bonded Turntrans62.4-122.7-173.500000112.4R62R62-G100 VanDerWaalsContact CG-O 3.28Å; R62-G100 WeakPolarHBondContact CG-O 2.91Å
101D78.3Confident89.1Confident113 Ų11345.5 Ų45.560%0.60427%0.271SS*.THydrogen-bonded Turntrans-90.50.1176.5-73.5-38.3000114.1R62 T99R62-D101 VanDerWaalsContact CD-OD1 3.25Å; R62-D101 WeakPolarHBondContact CD-OD1 3.35Å; R62-D101 WeakPolarHBondContact CG-OD1 3.42Å; R62-D101 IonicContact CZ-OD1 3.96Å; R62-D101 IonicContact CZ-OD2 2.81Å; R62-D101 VanDerWaalsContact CZ-OD2 3.24Å; R62-D101 VanDerWaalsContact NE-CG 3.35Å; R62-D101 IonicContact NE-OD1 2.69Å; R62-D101 PolarHBondContact NE-OD1 3.15Å; R62-D101 IonicContact NE-OD2 3.89Å; R62-D101 IonicContact NH1-OD1 3.41Å; R62-D101 IonicContact NH1-OD2 3.77Å; R62-D101 IonicContact NH2-OD1 3.45Å; R62-D101 PolarHBondContact NH2-OD1 3.09Å; R62-D101 IonicContact NH2-OD2 3.02Å; R62-D101 PolarHBondContact NH2-OD2 3.41Å; T99-D101 PolarHBondContact O-N 2.87Å
102S84.1Confident89.4Confident73 Ų7343.1 Ų43.151%0.5126%0.261SS..EExtended strand (participates in β ladder)trans-114.6156.3-172.872.90000112.2L61 T99L61-S102 VanDerWaalsContact CD2-C 3.49Å; L61-S102 WeakPolarHBondContact CD2-O 3.34Å; T99-S102 PolarHBondContact N-O 2.79Å; T99-S102 PolarHBondContact O-N 3.39Å; T99-S102 VanDerWaalsContact O-N 3.12Å; T99-S102 PolarHBondContact O-OG 3.3Å
103S87.8Confident89.4Confident32 Ų3245.5 Ų45.522%0.22428%0.278CS..EExtended strand (participates in β ladder)trans-120.8131.5172.569.60000111.1R96 T97R96-S103 PolarHBondContact NE-OG 3.07Å; R96-S103 PolarHBondContact NH2-OG 3.36Å; R96-S103 VanDerWaalsContact NH2-OG 3.17Å; T97-S103 CarbonylContact O-C 3.59Å; T97-S103 VanDerWaalsContact O-CA 3.25Å; T97-S103 WeakPolarHBondContact O-CA 3.25Å
104A91.3Very high89.2Confident22 Ų2247.6 Ų47.618%0.18229%0.287CS..EExtended strand (participates in β ladder)trans-107.1138.517700000111.4R96 T97R96-A104 WeakPolarHBondContact CA-O 2.84Å; T97-A104 PolarHBondContact N-O 2.79Å; T97-A104 PolarHBondContact O-N 3.35Å
105Y93.4Very high88.9Confident25 Ų2550.8 Ų50.810%0.09831%0.314CS..EExtended strand (participates in β ladder)trans-104.2137.1-177.9-58.8-90.5000110.4R96 V112 H114 Y117R96-Y105 HydrophobicContact CG-CD1 4.05Å; R96-Y105 HydrophobicContact CG-CE1 3.97Å; R96-Y105 VanDerWaalsContact CZ-OH 3.26Å; R96-Y105 PolarHBondContact NE-OH 3.22Å; R96-Y105 PolarHBondContact NH2-OH 2.99Å; R96-Y105 VanDerWaalsContact NH2-OH 3.1Å; Y105-V112 PolarHBondContact O-N 3.4Å; Y105-H114 HydrophobicContact CD2-CB 4.14Å; Y105-H114 AromaticContact CE1-CD2 3.98Å; Y105-H114 HydrophobicContact CE2-CB 3.85Å; Y105-H114 AromaticContact CE2-CD2 3.83Å; Y105-H114 AromaticContact CZ-CD2 3.47Å; Y105-H114 VanDerWaalsContact CZ-CD2 3.47Å; Y105-H114 PolarHBondContact OH-CD2 3.15Å; Y105-Y117 AromaticContact CD1-CD1 3.78Å; Y105-Y117 HydrophobicContact CD1-CD1 3.78Å; Y105-Y117 HydrophobicContact CD1-CD2 4.31Å; Y105-Y117 AromaticContact CD1-CE1 3.94Å; Y105-Y117 HydrophobicContact CD1-CE1 3.94Å; Y105-Y117 HydrophobicContact CD1-CE2 4.46Å; Y105-Y117 AromaticContact CD1-CG 3.95Å; Y105-Y117 HydrophobicContact CD1-CG 3.95Å; Y105-Y117 HydrophobicContact CE1-CD1 4.4Å; Y105-Y117 HydrophobicContact CG-CD2 4.5Å; Y105-Y117 HydrophobicContact CG-CG 4.27Å
106H92.9Very high88.7Confident39 Ų3956.1 Ų56.118%0.18134%0.337CS..EExtended strand (participates in β ladder)trans-137137.4-178.4-55.377.2000111.5S95 S110 H111S95-H106 PolarHBondContact N-O 3.27Å; S95-H106 PolarHBondContact O-N 3.42Å; S95-H106 WeakPolarHBondContact OG-CB 3.3Å; H106-S110 CarbonylContact C-O 3.59Å; H106-S110 WeakPolarHBondContact CA-O 3.07Å; H106-H111 AromaticContact NE2-CD2 3.94Å
107I92.2Very high88.6Confident18 Ų1855.6 Ų55.69%0.09234%0.335CS..EExtended strand (participates in β ladder)trans-118124.1170.9-59.3174.9000107.6T92 I93 F94 A109 S110 V112 Y117 E120T92-I107 HydrophobicContact CG2-CG2 4.14Å; I93-I107 CarbonylContact O-C 3.55Å; I93-I107 WeakPolarHBondContact O-CA 3.16Å; F94-I107 HydrophobicContact CD1-CG1 4.12Å; F94-I107 HydrophobicContact CE1-CD1 4.15Å; F94-I107 HydrophobicContact CE1-CG1 4.19Å; I107-A109 PolarHBondContact O-N 2.72Å; I107-S110 PolarHBondContact N-O 3.39Å; I107-S110 WeakPolarHBondContact O-CB 3.42Å; I107-S110 PolarHBondContact O-N 2.73Å; I107-S110 PolarHBondContact O-OG 2.95Å; I107-V112 HydrophobicContact CD1-CG1 4.38Å; I107-V112 HydrophobicContact CD1-CG2 4.01Å; I107-V112 HydrophobicContact CG1-CG1 4.48Å; I107-V112 HydrophobicContact CG1-CG2 3.87Å; I107-Y117 HydrophobicContact CD1-CD2 4.08Å; I107-Y117 HydrophobicContact CG1-CD2 3.7Å; I107-Y117 HydrophobicContact CG1-CE2 4.05Å; I107-E120 HydrophobicContact CD1-CB 3.89Å; I107-E120 HydrophobicContact CD1-CG 3.77Å
108N89.8Confident88.5Confident90 Ų9055.4 Ų55.448%0.48133%0.333SS..THydrogen-bonded Turntrans49.742.7-176.9-62.4-25.4000112.5I93 S110I93-N108 PolarHBondContact N-OD1 2.87Å; I93-N108 PolarHBondContact O-N 3.24Å; N108-S110 PolarHBondContact O-N 2.7Å
109A84.4Confident88.3Confident77 Ų7760.2 Ų60.264%0.63636%0.356SS*.THydrogen-bonded Turntrans661.2-174.600000116.8I107I107-A109 PolarHBondContact O-N 2.72Å
110S89.7Confident88.4Confident65 Ų6559.7 Ų59.746%0.45535%0.348SS..EExtended strand (participates in β ladder)trans-87.4132.4172.370.50000111.6H106 I107 N108H106-S110 CarbonylContact C-O 3.59Å; H106-S110 WeakPolarHBondContact CA-O 3.07Å; I107-S110 PolarHBondContact N-O 3.39Å; I107-S110 WeakPolarHBondContact O-CB 3.42Å; I107-S110 PolarHBondContact O-N 2.73Å; I107-S110 PolarHBondContact O-OG 2.95Å; N108-S110 PolarHBondContact O-N 2.7Å
111H91.1Very high88.8Confident131 Ų13158.3 Ų58.361%0.60633%0.334SS*.EExtended strand (participates in β ladder)trans-70.7130.2178.2-179.3-89.6000111H106H106-H111 AromaticContact NE2-CD2 3.94Å
112V92.8Very high89.1Confident15 Ų1555.7 Ų55.79%0.09132%0.317CS..EExtended strand (participates in β ladder)trans-132.4155.7-178.5-65.80000112Y105 I107 K116 Y117Y105-V112 PolarHBondContact O-N 3.4Å; I107-V112 HydrophobicContact CD1-CG1 4.38Å; I107-V112 HydrophobicContact CD1-CG2 4.01Å; I107-V112 HydrophobicContact CG1-CG1 4.48Å; I107-V112 HydrophobicContact CG1-CG2 3.87Å; V112-K116 HydrophobicContact CG1-CD 4.45Å; V112-Y117 HydrophobicContact CG2-CD2 3.85Å; V112-Y117 HydrophobicContact CG2-CG 4.43Å
113S91.3Very high89.1Confident73 Ų7358.3 Ų58.351%0.5132%0.32SS..  trans-69.8153171.271.40000110.8A115 K116 Y117S113-A115 PolarHBondContact O-N 3.03Å; S113-K116 PolarHBondContact O-N 2.91Å; S113-K116 PolarHBondContact OG-N 2.66Å; S113-Y117 PolarHBondContact O-N 2.69Å
114H87.5Confident88.9Confident86 Ų8658.5 Ų58.540%0.39832%0.318SS..Hα-helixtrans-55.4-37.7176.9173.7-102.9000113Y105 Y117 I118Y105-H114 HydrophobicContact CD2-CB 4.14Å; Y105-H114 AromaticContact CE1-CD2 3.98Å; Y105-H114 HydrophobicContact CE2-CB 3.85Å; Y105-H114 AromaticContact CE2-CD2 3.83Å; Y105-H114 AromaticContact CZ-CD2 3.47Å; Y105-H114 VanDerWaalsContact CZ-CD2 3.47Å; Y105-H114 PolarHBondContact OH-CD2 3.15Å; H114-Y117 PolarHBondContact O-N 2.98Å; H114-I118 WeakPolarHBondContact CE1-CD1 3.31Å; H114-I118 WeakPolarHBondContact NE2-CD1 3.3Å; H114-I118 WeakPolarHBondContact O-CG1 3.45Å; H114-I118 PolarHBondContact O-N 3.09Å
115A88.1Confident88.3Confident70 Ų7058.1 Ų58.158%0.57932%0.316SS*.Hα-helixtrans-64-47178.600000111.9S113 Y117 I118 E119S113-A115 PolarHBondContact O-N 3.03Å; A115-Y117 VanDerWaalsContact C-N 3.32Å; A115-Y117 PolarHBondContact O-N 3.39Å; A115-I118 PolarHBondContact O-N 2.65Å; A115-E119 PolarHBondContact O-N 2.77Å
116K88.6Confident87.9Confident113 Ų11357.1 Ų57.149%0.49131%0.313SS..Hα-helixtrans-66.8-34.9177.3-172.2171.6-176.4178.20111.8V112 S113 E119 E120V112-K116 HydrophobicContact CG1-CD 4.45Å; S113-K116 PolarHBondContact O-N 2.91Å; S113-K116 PolarHBondContact OG-N 2.66Å; K116-E119 PolarHBondContact O-N 3.3Å; K116-E120 WeakPolarHBondContact O-CG 2.98Å; K116-E120 PolarHBondContact O-N 3.44Å; K116-E120 VanDerWaalsContact O-N 3.15Å
117Y91Very high87.4Confident0 Ų055.6 Ų55.60%031%0.306CS..Hα-helixtrans-63.3-45.2175.3-169.7-94.7000112.5A48 F94 Y105 I107 V112 S113 H114 A115 E120 L121A48-Y117 WeakPolarHBondContact O-CE1 2.85Å; A48-Y117 PolarHBondContact O-OH 3.22Å; F94-Y117 HydrophobicContact CB-CE2 4.22Å; F94-Y117 WeakPolarHBondContact CB-OH 3.07Å; F94-Y117 HydrophobicContact CD1-CD2 4.37Å; F94-Y117 AromaticContact CD1-CE2 3.79Å; F94-Y117 HydrophobicContact CD1-CE2 3.79Å; F94-Y117 AromaticContact CD1-CZ 3.99Å; Y105-Y117 AromaticContact CD1-CD1 3.78Å; Y105-Y117 HydrophobicContact CD1-CD1 3.78Å; Y105-Y117 HydrophobicContact CD1-CD2 4.31Å; Y105-Y117 AromaticContact CD1-CE1 3.94Å; Y105-Y117 HydrophobicContact CD1-CE1 3.94Å; Y105-Y117 HydrophobicContact CD1-CE2 4.46Å; Y105-Y117 AromaticContact CD1-CG 3.95Å; Y105-Y117 HydrophobicContact CD1-CG 3.95Å; Y105-Y117 HydrophobicContact CE1-CD1 4.4Å; Y105-Y117 HydrophobicContact CG-CD2 4.5Å; Y105-Y117 HydrophobicContact CG-CG 4.27Å; I107-Y117 HydrophobicContact CD1-CD2 4.08Å; I107-Y117 HydrophobicContact CG1-CD2 3.7Å; I107-Y117 HydrophobicContact CG1-CE2 4.05Å; V112-Y117 HydrophobicContact CG2-CD2 3.85Å; V112-Y117 HydrophobicContact CG2-CG 4.43Å; S113-Y117 PolarHBondContact O-N 2.69Å; H114-Y117 PolarHBondContact O-N 2.98Å; A115-Y117 VanDerWaalsContact C-N 3.32Å; A115-Y117 PolarHBondContact O-N 3.39Å; Y117-E120 PolarHBondContact O-N 3.48Å; Y117-L121 HydrophobicContact CD1-CD1 3.76Å; Y117-L121 HydrophobicContact CD1-CG 4.49Å; Y117-L121 HydrophobicContact CE1-CD1 3.53Å; Y117-L121 HydrophobicContact CE1-CG 4.37Å; Y117-L121 WeakPolarHBondContact O-CG 3.27Å; Y117-L121 PolarHBondContact O-N 3.34Å
118I88.4Confident86.5Confident20 Ų2055.3 Ų55.310%0.10331%0.305CS..Hα-helixtrans-65.1-41.1175.3-71.2-179.1000111.2H114 A115 E120 L121 E122 T128H114-I118 WeakPolarHBondContact CE1-CD1 3.31Å; H114-I118 WeakPolarHBondContact NE2-CD1 3.3Å; H114-I118 WeakPolarHBondContact O-CG1 3.45Å; H114-I118 PolarHBondContact O-N 3.09Å; A115-I118 PolarHBondContact O-N 2.65Å; I118-E120 VanDerWaalsContact C-N 3.32Å; I118-E120 PolarHBondContact O-N 3Å; I118-L121 PolarHBondContact O-N 3.17Å; I118-L121 VanDerWaalsContact O-N 3.15Å; I118-E122 HydrophobicContact CG2-CG 4.04Å; I118-E122 WeakPolarHBondContact O-CB 3.22Å; I118-E122 WeakPolarHBondContact O-CG 3.36Å; I118-E122 PolarHBondContact O-N 3.5Å; I118-T128 HydrophobicContact CG1-CG2 4.4Å
119E87.3Confident85.6Confident101 Ų10159 Ų5947%0.47232%0.317SS..Hα-helixtrans-58.4-43.6178.7-169.2-166.7147.900112A115 K116 E122 K123A115-E119 PolarHBondContact O-N 2.77Å; K116-E119 PolarHBondContact O-N 3.3Å; E119-E122 PolarHBondContact O-N 3.26Å; E119-K123 WeakPolarHBondContact O-CG 3.17Å; E119-K123 PolarHBondContact O-N 3.36Å; E119-K123 IonicContact OE1-NZ 2.79Å; E119-K123 PolarHBondContact OE1-NZ 3.37Å
120E87.6Confident84.7Confident60 Ų6056.4 Ų56.428%0.2830%0.295SS..Hα-helixtrans-68.1-33.3176.3-67.1-60140.300112.9F94 I107 K116 Y117 I118 K123F94-E120 HydrophobicContact CE1-CB 4.08Å; F94-E120 HydrophobicContact CZ-CB 4.46Å; I107-E120 HydrophobicContact CD1-CB 3.89Å; I107-E120 HydrophobicContact CD1-CG 3.77Å; K116-E120 WeakPolarHBondContact O-CG 2.98Å; K116-E120 PolarHBondContact O-N 3.44Å; K116-E120 VanDerWaalsContact O-N 3.15Å; Y117-E120 PolarHBondContact O-N 3.48Å; I118-E120 VanDerWaalsContact C-N 3.32Å; I118-E120 PolarHBondContact O-N 3Å; E120-K123 IonicContact OE1-NZ 3.29Å; E120-K123 PolarHBondContact OE1-NZ 2.99Å; E120-K123 IonicContact OE2-NZ 2.71Å
121L87Confident83.9Confident2 Ų257.1 Ų57.11%0.0129%0.291CS..Hα-helixtrans-69.2-38.1171.6-73.2173.6000112.3I49 F94 Y117 I118 K123 I124 G125 I126 T128I49-L121 VanDerWaalsContact O-CD1 3.26Å; I49-L121 WeakPolarHBondContact O-CD1 3.37Å; F94-L121 HydrophobicContact CD1-CD2 3.87Å; F94-L121 HydrophobicContact CD1-CG 4.24Å; F94-L121 HydrophobicContact CD2-CD2 4.35Å; F94-L121 HydrophobicContact CE1-CD2 3.89Å; F94-L121 HydrophobicContact CE1-CG 4.14Å; F94-L121 HydrophobicContact CE2-CD2 4.37Å; F94-L121 HydrophobicContact CG-CD2 4.11Å; F94-L121 HydrophobicContact CZ-CD2 4.16Å; Y117-L121 HydrophobicContact CD1-CD1 3.76Å; Y117-L121 HydrophobicContact CD1-CG 4.49Å; Y117-L121 HydrophobicContact CE1-CD1 3.53Å; Y117-L121 HydrophobicContact CE1-CG 4.37Å; Y117-L121 WeakPolarHBondContact O-CG 3.27Å; Y117-L121 PolarHBondContact O-N 3.34Å; I118-L121 PolarHBondContact O-N 3.17Å; I118-L121 VanDerWaalsContact O-N 3.15Å; L121-K123 VanDerWaalsContact C-N 3.33Å; L121-K123 PolarHBondContact O-N 2.72Å; L121-I124 PolarHBondContact O-N 3.45Å; L121-I124 VanDerWaalsContact O-N 3.14Å; L121-G125 PolarHBondContact O-N 3.44Å; L121-I126 CarbonylContact C-O 3.56Å; L121-I126 HydrophobicContact CB-CB 4.37Å; L121-I126 HydrophobicContact CD2-CD1 4.34Å; L121-I126 PolarHBondContact O-N 2.82Å; L121-T128 HydrophobicContact CD1-CG2 4.31Å
122E85.4Confident83.2Confident57 Ų5751.8 Ų51.827%0.26627%0.267SS..Hα-helixtrans-66.2-34.5176.9-76-177.7179.500111.7I118 E119 I124 G125 I126I118-E122 HydrophobicContact CG2-CG 4.04Å; I118-E122 WeakPolarHBondContact O-CB 3.22Å; I118-E122 WeakPolarHBondContact O-CG 3.36Å; I118-E122 PolarHBondContact O-N 3.5Å; E119-E122 PolarHBondContact O-N 3.26Å; E122-I124 PolarHBondContact O-N 3.37Å; E122-G125 PolarHBondContact O-N 3.27Å; E122-I126 PolarHBondContact N-O 3.5Å
123K84.6Confident82.6Confident129 Ų12951.2 Ų51.256%0.56126%0.264SS*.Hα-helixtrans-60.7-30.6172-73.9173.6-169.9168.50112.8E119 E120 L121 G125E119-K123 WeakPolarHBondContact O-CG 3.17Å; E119-K123 PolarHBondContact O-N 3.36Å; E119-K123 IonicContact OE1-NZ 2.79Å; E119-K123 PolarHBondContact OE1-NZ 3.37Å; E120-K123 IonicContact OE1-NZ 3.29Å; E120-K123 PolarHBondContact OE1-NZ 2.99Å; E120-K123 IonicContact OE2-NZ 2.71Å; L121-K123 VanDerWaalsContact C-N 3.33Å; L121-K123 PolarHBondContact O-N 2.72Å; K123-G125 VanDerWaalsContact C-N 3.27Å
124I82.3Confident82.3Confident35 Ų3548.4 Ų48.418%0.17924%0.243CC..THydrogen-bonded Turntrans-84.9-3.4177-64167.7000111.3F84 F94 L121 E122 I126 P1147F84-I124 HydrophobicContact CD1-CD1 3.93Å; F84-I124 HydrophobicContact CD1-CG2 4.05Å; F84-I124 HydrophobicContact CE1-CB 4.47Å; F84-I124 HydrophobicContact CE1-CD1 4.13Å; F84-I124 HydrophobicContact CE1-CG1 4.22Å; F84-I124 HydrophobicContact CE1-CG2 3.42Å; F84-I124 VanDerWaalsContact CE1-CG2 3.42Å; F84-I124 HydrophobicContact CE2-CG2 4.29Å; F84-I124 HydrophobicContact CZ-CG2 3.57Å; F94-I124 HydrophobicContact CE2-CD1 3.44Å; F94-I124 VanDerWaalsContact CE2-CD1 3.44Å; F94-I124 HydrophobicContact CZ-CD1 3.36Å; L121-I124 PolarHBondContact O-N 3.45Å; L121-I124 VanDerWaalsContact O-N 3.14Å; E122-I124 PolarHBondContact O-N 3.37Å; I124-I126 HydrophobicContact CG2-CD1 4.42Å; I124-P1147 HydrophobicContact CG2-CG 3.82Å; I124-P1147 WeakPolarHBondContact O-CD 3.04Å
125G79.9Confident82.1Confident14 Ų1444.5 Ų44.514%0.14423%0.225CC..THydrogen-bonded Turntrans91.66.8179.800000114.5L121 E122 K123 N132L121-G125 PolarHBondContact O-N 3.44Å; E122-G125 PolarHBondContact O-N 3.27Å; K123-G125 VanDerWaalsContact C-N 3.27Å; G125-N132 PolarHBondContact O-ND2 3.36Å
126I84.6Confident81.8Confident5 Ų543 Ų433%0.02621%0.206CC..  trans-92.9109.6178.3-60.9174.6000109.5I49 L121 E122 I124 P1147 F1148I49-I126 HydrophobicContact CG2-CG2 3.79Å; L121-I126 CarbonylContact C-O 3.56Å; L121-I126 HydrophobicContact CB-CB 4.37Å; L121-I126 HydrophobicContact CD2-CD1 4.34Å; L121-I126 PolarHBondContact O-N 2.82Å; E122-I126 PolarHBondContact N-O 3.5Å; I124-I126 HydrophobicContact CG2-CD1 4.42Å; I126-P1147 HydrophobicContact CD1-CG 4.28Å; I126-P1147 HydrophobicContact CG1-CG 4.3Å; I126-F1148 HydrophobicContact CD1-CE1 3.74Å; I126-F1148 HydrophobicContact CD1-CZ 3.87Å
127V81.3Confident81.3Confident7 Ų742.6 Ų42.64%0.04221%0.206CC..  trans-10395.1179.7-175.30000109.4K129 A130 Q131 N132V127-K129 VanDerWaalsContact C-N 3.31Å; V127-K129 PolarHBondContact O-N 3.41Å; V127-A130 HydrophobicContact CB-CB 4.17Å; V127-A130 HydrophobicContact CG1-CB 3.79Å; V127-A130 PolarHBondContact O-N 3.23Å; V127-Q131 PolarHBondContact O-N 3.08Å; V127-N132 PolarHBondContact N-OD1 3.33Å; V127-N132 PolarHBondContact O-OD1 3.46Å
128T74.2Confident80.4Confident11 Ų1145.2 Ų45.27%0.06723%0.233CC..G310 helixtrans-53.5-43.4-17656.50000113.2I49 I118 L121 A130 Q131I49-T128 HydrophobicContact CG2-CG2 3.82Å; I49-T128 WeakPolarHBondContact O-CG2 3.37Å; I118-T128 HydrophobicContact CG1-CG2 4.4Å; L121-T128 HydrophobicContact CD1-CG2 4.31Å; T128-A130 VanDerWaalsContact C-N 3.26Å; T128-A130 PolarHBondContact O-N 2.77Å; T128-Q131 PolarHBondContact O-N 2.64Å
129K70.9Confident79.7Confident169 Ų16945.7 Ų45.774%0.73524%0.24SC*.G310 helixtrans-67.1-22.3-179.7-68177.5-177.1165.10114.6V127V127-K129 VanDerWaalsContact C-N 3.31Å; V127-K129 PolarHBondContact O-N 3.41Å
130A65.9Low79.1Confident21 Ų2141.3 Ų41.317%0.17422%0.22CC..G310 helixtrans-101.8-8.9-176.600000112.8V127 T128 N132 C157 I158V127-A130 HydrophobicContact CB-CB 4.17Å; V127-A130 HydrophobicContact CG1-CB 3.79Å; V127-A130 PolarHBondContact O-N 3.23Å; T128-A130 VanDerWaalsContact C-N 3.26Å; T128-A130 PolarHBondContact O-N 2.77Å; A130-N132 PolarHBondContact O-N 3.16Å; A130-C157 HydrophobicContact CB-CB 4.19Å; A130-I158 HydrophobicContact CB-CG1 3.98Å
131Q72.4Confident78.4Confident81 Ų8142.1 Ų42.138%0.37922%0.224SC..THydrogen-bonded Turntrans49.941.9-176.5-66.6179.1-10.500112.5E51 V127 T128 C133E51-Q131 VanDerWaalsContact OE1-CG 3.22Å; E51-Q131 WeakPolarHBondContact OE1-CG 3.35Å; E51-Q131 PolarHBondContact OE1-NE2 3.21Å; E51-Q131 PolarHBondContact OE2-NE2 2.91Å; V127-Q131 PolarHBondContact O-N 3.08Å; T128-Q131 PolarHBondContact O-N 2.64Å; Q131-C133 PolarHBondContact O-N 3.05Å; Q131-C133 VanDerWaalsContact O-N 3.14Å
132N76.8Confident77.9Confident19 Ų1944.4 Ų44.410%0.10224%0.243CC..THydrogen-bonded Turntrans-72.4-5.3-171.769.6-37.8000114.8G125 V127 A130 F1149G125-N132 PolarHBondContact O-ND2 3.36Å; V127-N132 PolarHBondContact N-OD1 3.33Å; V127-N132 PolarHBondContact O-OD1 3.46Å; A130-N132 PolarHBondContact O-N 3.16Å; N132-F1149 WeakPolarHBondContact O-CE2 3.39Å
133C80Confident77.6Confident3 Ų343 Ų432%0.0224%0.237CC..THydrogen-bonded Turntrans-124.1-6.5-177.254.60000114.7Q131 A1146 F1148 I1150Q131-C133 PolarHBondContact O-N 3.05Å; Q131-C133 VanDerWaalsContact O-N 3.14Å; C133-A1146 HydrophobicContact CB-CB 3.97Å; C133-F1148 WeakPolarHBondContact CB-O 3.43Å; C133-I1150 PolarHBondContact O-N 3.34Å
134V83.7Confident77.1Confident13 Ų1336.9 Ų36.98%0.07921%0.21CC..EExtended strand (participates in β ladder)trans-130.3128.2-172.2179.70000110.6M42 L45 I49 F136M42-V134 HydrophobicContact CE-CG1 3.58Å; M42-V134 HydrophobicContact SD-CG1 3.27Å; M42-V134 WeakPolarHBondContact SD-CG1 3.39Å; L45-V134 HydrophobicContact CD2-CG2 3.92Å; I49-V134 HydrophobicContact CD1-CG2 4.3Å; V134-F136 HydrophobicContact CG1-CD2 4.47Å; V134-F136 HydrophobicContact CG1-CE2 4.05Å; V134-F136 HydrophobicContact CG1-CZ 4.16Å
135V84.5Confident77Confident4 Ų438.7 Ų38.72%0.02422%0.22CC..EExtended strand (participates in β ladder)trans-122.3115.6175.2-173.20000109.9A139 V140 L1137 F1149 I1150 L1151 D1152V135-A139 HydrophobicContact CG1-CB 4.31Å; V135-V140 HydrophobicContact CG1-CG2 3.58Å; V135-L1137 HydrophobicContact CG2-CD1 3.42Å; V135-L1137 VanDerWaalsContact CG2-CD1 3.42Å; V135-F1149 HydrophobicContact CG2-CE1 4.25Å; V135-F1149 HydrophobicContact CG2-CZ 3.6Å; V135-I1150 PolarHBondContact N-O 3Å; V135-L1151 HydrophobicContact CB-CD2 3.87Å; V135-L1151 HydrophobicContact CG1-CD2 4.49Å; V135-L1151 HydrophobicContact CG2-CD2 3.73Å; V135-D1152 WeakPolarHBondContact O-CB 3.47Å; V135-D1152 PolarHBondContact O-N 3.39Å
136F82.5Confident77.3Confident38 Ų3841.2 Ų41.217%0.16723%0.227CC..  trans-75.8156176.3-65.4-87.8000112M42 V134 G138 A139M42-F136 VanDerWaalsContact CE-CA 3.49Å; M42-F136 HydrophobicContact CE-CB 3.97Å; M42-F136 HydrophobicContact CE-CD1 3.03Å; M42-F136 HydrophobicContact CE-CD2 4.12Å; M42-F136 HydrophobicContact CE-CE1 3.33Å; M42-F136 HydrophobicContact CE-CE2 4.36Å; M42-F136 HydrophobicContact CE-CG 3.45Å; M42-F136 VanDerWaalsContact CE-CG 3.45Å; M42-F136 HydrophobicContact CE-CZ 3.99Å; M42-F136 HydrophobicContact SD-CD1 4.06Å; M42-F136 HydrophobicContact SD-CE1 3.71Å; M42-F136 HydrophobicContact SD-CZ 4.17Å; V134-F136 HydrophobicContact CG1-CD2 4.47Å; V134-F136 HydrophobicContact CG1-CE2 4.05Å; V134-F136 HydrophobicContact CG1-CZ 4.16Å; F136-G138 PolarHBondContact O-N 2.94Å; F136-A139 HydrophobicContact CB-CB 4.18Å; F136-A139 WeakPolarHBondContact O-CB 3.31Å; F136-A139 PolarHBondContact O-N 3.15Å
137Q77.6Confident77.4Confident105 Ų10546 Ų4649%0.49125%0.253SS..THydrogen-bonded Turntrans-49129.4170-172.7-174.813.600111.1A139 E1153Q137-A139 PolarHBondContact O-N 3.02Å; Q137-E1153 VanDerWaalsContact CD-OE2 3.23Å; Q137-E1153 HydrophobicContact CG-CB 4.18Å; Q137-E1153 PolarHBondContact NE2-OE2 2.89Å
138G72.4Confident77.8Confident55 Ų5547.4 Ų47.457%0.56726%0.262SS*.THydrogen-bonded Turntrans73.9-7.7-178.200000115.7F136 V140F136-G138 PolarHBondContact O-N 2.94Å; G138-V140 VanDerWaalsContact C-N 3.32Å; G138-V140 PolarHBondContact O-N 3.46Å
139A72.4Confident78.5Confident30 Ų3053.3 Ų53.325%0.24829%0.287CS..Hα-helixtrans-74.3-22.8178.400000113V135 F136 Q137 A142 I143V135-A139 HydrophobicContact CG1-CB 4.31Å; F136-A139 HydrophobicContact CB-CB 4.18Å; F136-A139 WeakPolarHBondContact O-CB 3.31Å; F136-A139 PolarHBondContact O-N 3.15Å; Q137-A139 PolarHBondContact O-N 3.02Å; A139-A142 PolarHBondContact O-N 3.09Å; A139-I143 VanDerWaalsContact O-CG1 3.27Å; A139-I143 WeakPolarHBondContact O-CG1 3.25Å; A139-I143 PolarHBondContact O-N 2.68Å
140V75.3Confident79.3Confident10 Ų1049.8 Ų49.86%0.06127%0.273CS..Hα-helixtrans-58.2-54.1178.8-178.60000110.8V135 G138 A142 I143 A1130 A1133 L1134 V1154V135-V140 HydrophobicContact CG1-CG2 3.58Å; G138-V140 VanDerWaalsContact C-N 3.32Å; G138-V140 PolarHBondContact O-N 3.46Å; V140-A142 VanDerWaalsContact C-N 3.29Å; V140-A142 PolarHBondContact O-N 3.28Å; V140-I143 PolarHBondContact O-N 2.7Å; V140-A1130 HydrophobicContact CG1-CB 4.26Å; V140-A1133 HydrophobicContact CG1-CB 3.7Å; V140-A1133 WeakPolarHBondContact O-CB 3.11Å; V140-L1134 HydrophobicContact CG1-CG 4.27Å; V140-V1154 HydrophobicContact CG2-CB 4.29Å; V140-V1154 HydrophobicContact CG2-CG1 3.69Å
141E72.7Confident80.3Confident76 Ų7649.3 Ų49.336%0.35527%0.267SS..Hα-helixtrans-64-37.4180-62.9-174.2171.400111.7I143 A144 L145 A1157E141-I143 VanDerWaalsContact C-N 3.32Å; E141-I143 PolarHBondContact O-N 3.2Å; E141-A144 PolarHBondContact O-N 3.43Å; E141-L145 WeakPolarHBondContact O-CG 3.19Å; E141-L145 PolarHBondContact O-N 2.96Å; E141-L145 VanDerWaalsContact O-N 3.15Å; E141-A1157 WeakPolarHBondContact OE1-CB 3.28Å
142A76.4Confident81.2Confident50 Ų5045.6 Ų45.641%0.41325%0.25SC..Hα-helixtrans-62.7-36.3178.500000112.5A139 V140 A144 L145 K146A139-A142 PolarHBondContact O-N 3.09Å; V140-A142 VanDerWaalsContact C-N 3.29Å; V140-A142 PolarHBondContact O-N 3.28Å; A142-A144 VanDerWaalsContact C-N 3.32Å; A142-A144 PolarHBondContact O-N 3.18Å; A142-L145 CarbonylContact O-C 3.51Å; A142-L145 PolarHBondContact O-N 3.28Å; A142-K146 WeakPolarHBondContact O-CG 3.5Å; A142-K146 PolarHBondContact O-N 2.79Å
143I78.3Confident81.7Confident27 Ų2750.1 Ų50.114%0.13827%0.268CS..Hα-helixtrans-62.7-39.6178.7-70.5162.3000111.4A139 V140 E141 M154 L1136 L1137A139-I143 VanDerWaalsContact O-CG1 3.27Å; A139-I143 WeakPolarHBondContact O-CG1 3.25Å; A139-I143 PolarHBondContact O-N 2.68Å; V140-I143 PolarHBondContact O-N 2.7Å; E141-I143 VanDerWaalsContact C-N 3.32Å; E141-I143 PolarHBondContact O-N 3.2Å; I143-M154 HydrophobicContact CG2-CE 4.43Å; I143-L1136 HydrophobicContact CG2-CD2 4.36Å; I143-L1137 HydrophobicContact CD1-CD1 4.13Å
144A74.3Confident82Confident1 Ų151.3 Ų51.31%0.00827%0.274CS..Hα-helixtrans-67.8-39.2174.700000112.2E141 A142 R151 M1121 A1133E141-A144 PolarHBondContact O-N 3.43Å; A142-A144 VanDerWaalsContact C-N 3.32Å; A142-A144 PolarHBondContact O-N 3.18Å; A144-R151 PolarHBondContact O-NH2 3.37Å; A144-M1121 HydrophobicContact CB-CE 3.55Å; A144-A1133 HydrophobicContact CB-CB 3.91Å
145L81.4Confident82.1Confident74 Ų7450.8 Ų50.839%0.38727%0.271SS..Hα-helixtrans-85.61.2-176-67.2169.5000114.9E141 A142 D147 K1129E141-L145 WeakPolarHBondContact O-CG 3.19Å; E141-L145 PolarHBondContact O-N 2.96Å; E141-L145 VanDerWaalsContact O-N 3.15Å; A142-L145 CarbonylContact O-C 3.51Å; A142-L145 PolarHBondContact O-N 3.28Å; L145-D147 PolarHBondContact O-N 3.11Å; L145-K1129 HydrophobicContact CD2-CD 4.48Å
146K84.9Confident82.3Confident66 Ų6651.2 Ų51.229%0.28727%0.273SS..SBendtrans-56.8141.3175.5-78-174.3-177.4178.80111.3A142 E150 R151 M154A142-K146 WeakPolarHBondContact O-CG 3.5Å; A142-K146 PolarHBondContact O-N 2.79Å; K146-E150 HydrophobicContact CB-CB 4.22Å; K146-E150 HydrophobicContact CD-CB 4.44Å; K146-R151 PolarHBondContact O-NH2 3.46Å; K146-M154 HydrophobicContact CD-SD 4.3Å
147D87.4Confident82.4Confident105 Ų10550.6 Ų50.656%0.56127%0.273SS*.  trans-56.4146.7171.1-77.6-24.1000110.3L145 K149 E150 R151L145-D147 PolarHBondContact O-N 3.11Å; D147-K149 PolarHBondContact O-N 3.11Å; D147-E150 HydrophobicContact CB-CB 4.45Å; D147-E150 HydrophobicContact CB-CG 4.2Å; D147-E150 WeakPolarHBondContact O-CA 3.23Å; D147-E150 WeakPolarHBondContact O-CB 3.43Å; D147-E150 PolarHBondContact O-N 2.79Å; D147-R151 PolarHBondContact O-N 2.89Å
148P89.5Confident82.7Confident38 Ų3846 Ų4625%0.24725%0.251CS..Hα-helixtrans-50.6-37180-30.436.3000114.1T152 I1107 N1108P148-T152 PolarHBondContact O-N 3.45Å; P148-T152 PolarHBondContact O-OG1 3.25Å; P148-I1107 WeakPolarHBondContact CA-O 3.46Å; P148-I1107 PolarHBondContact O-N 3.29Å; P148-I1107 VanDerWaalsContact O-N 3.14Å; P148-N1108 VanDerWaalsContact CG-OD1 3.24Å; P148-N1108 WeakPolarHBondContact CG-OD1 3.4Å
149K89.4Confident83.3Confident134 Ų13443.6 Ų43.658%0.58323%0.226SC*.Hα-helixtrans-72.4-33.4176.5-73-175.4176.6175.60113.6D147 T152 K153D147-K149 PolarHBondContact O-N 3.11Å; K149-T152 PolarHBondContact O-N 2.99Å; K149-K153 WeakPolarHBondContact O-CG 3.15Å; K149-K153 PolarHBondContact O-N 3.22Å
150E88Confident83.8Confident95 Ų9544.5 Ų44.544%0.44423%0.225SC..Hα-helixtrans-71.9-35.8175.4-66.5-167.1158.600111.3K146 D147 K153 M154K146-E150 HydrophobicContact CB-CB 4.22Å; K146-E150 HydrophobicContact CD-CB 4.44Å; D147-E150 HydrophobicContact CB-CB 4.45Å; D147-E150 HydrophobicContact CB-CG 4.2Å; D147-E150 WeakPolarHBondContact O-CA 3.23Å; D147-E150 WeakPolarHBondContact O-CB 3.43Å; D147-E150 PolarHBondContact O-N 2.79Å; E150-K153 PolarHBondContact O-N 3.28Å; E150-M154 WeakPolarHBondContact O-CB 3.07Å; E150-M154 PolarHBondContact O-N 2.6Å
151R87.5Confident84.4Confident11 Ų1144 Ų444%0.04222%0.222CC..Hα-helixtrans-61.8-43.3170.7-164.3178.2-65.1104.24111.4A144 K146 D147 K153 M154 L155 I1107A144-R151 PolarHBondContact O-NH2 3.37Å; K146-R151 PolarHBondContact O-NH2 3.46Å; D147-R151 PolarHBondContact O-N 2.89Å; R151-K153 PolarHBondContact O-N 3.49Å; R151-M154 HydrophobicContact CG-CE 4.47Å; R151-M154 WeakPolarHBondContact O-CB 3.21Å; R151-M154 PolarHBondContact O-N 2.89Å; R151-L155 PolarHBondContact O-N 3.25Å; R151-I1107 PolarHBondContact NH1-O 3.38Å
152T90.2Very high85Confident4 Ų445.6 Ų45.63%0.02523%0.228CC..Hα-helixtrans-57.6-48.7171.7-540000111.4P148 K149 M154 L155 E156 F1066 G1105 I1107P148-T152 PolarHBondContact O-N 3.45Å; P148-T152 PolarHBondContact O-OG1 3.25Å; K149-T152 PolarHBondContact O-N 2.99Å; T152-M154 VanDerWaalsContact C-N 3.27Å; T152-M154 PolarHBondContact O-N 3.42Å; T152-L155 PolarHBondContact O-N 3.4Å; T152-E156 HydrophobicContact CG2-CG 4.49Å; T152-E156 WeakPolarHBondContact O-CG 3.39Å; T152-E156 PolarHBondContact O-N 3.38Å; T152-F1066 HydrophobicContact CG2-CE2 4Å; T152-F1066 HydrophobicContact CG2-CZ 3.93Å; T152-G1105 PolarHBondContact OG1-O 3.5Å; T152-I1107 PolarHBondContact OG1-N 2.73Å
153K87.8Confident85.4Confident113 Ų11349.3 Ų49.349%0.49124%0.237SC..Hα-helixtrans-60.2-36.9177.5-73.3171.9-175171.20112.6K149 E150 R151 C157K149-K153 WeakPolarHBondContact O-CG 3.15Å; K149-K153 PolarHBondContact O-N 3.22Å; E150-K153 PolarHBondContact O-N 3.28Å; R151-K153 PolarHBondContact O-N 3.49Å; K153-C157 PolarHBondContact O-N 3.34Å; K153-C157 PolarHBondContact O-SG 3.48Å
154M85.2Confident85.9Confident28 Ų2851.1 Ų51.114%0.13824%0.242CC..Hα-helixtrans-63.8-50.5177.1-173.7177.577.200110.3I143 K146 E150 R151 T152 E156 C157 I158 I1140I143-M154 HydrophobicContact CG2-CE 4.43Å; K146-M154 HydrophobicContact CD-SD 4.3Å; E150-M154 WeakPolarHBondContact O-CB 3.07Å; E150-M154 PolarHBondContact O-N 2.6Å; R151-M154 HydrophobicContact CG-CE 4.47Å; R151-M154 WeakPolarHBondContact O-CB 3.21Å; R151-M154 PolarHBondContact O-N 2.89Å; T152-M154 VanDerWaalsContact C-N 3.27Å; T152-M154 PolarHBondContact O-N 3.42Å; M154-E156 VanDerWaalsContact C-N 3.34Å; M154-E156 PolarHBondContact O-N 2.69Å; M154-C157 WeakPolarHBondContact O-CB 3.19Å; M154-C157 PolarHBondContact O-N 3.17Å; M154-C157 VanDerWaalsContact O-N 3.09Å; M154-I158 HydrophobicContact CG-CD1 4.14Å; M154-I158 WeakPolarHBondContact O-CD1 3.42Å; M154-I158 WeakPolarHBondContact O-CG1 3.49Å; M154-I158 PolarHBondContact O-N 3.34Å; M154-I158 VanDerWaalsContact O-N 3.14Å; M154-I1140 HydrophobicContact CE-CD1 3.61Å
155L87.3Confident86.6Confident3 Ų352.4 Ų52.42%0.01625%0.253CS..Hα-helixtrans-61.3-39.8175.8-70.9168.6000112.1R151 T152 C157 I158 C159 F1066 F1070 I1107 I1140R151-L155 PolarHBondContact O-N 3.25Å; T152-L155 PolarHBondContact O-N 3.4Å; L155-C157 VanDerWaalsContact C-N 3.28Å; L155-C157 PolarHBondContact O-N 2.81Å; L155-I158 HydrophobicContact CD2-CD1 4.43Å; L155-I158 PolarHBondContact O-N 3.46Å; L155-I158 VanDerWaalsContact O-N 3.17Å; L155-C159 PolarHBondContact O-N 3.06Å; L155-C159 PolarHBondContact O-SG 3.47Å; L155-F1066 HydrophobicContact CB-CE2 4.25Å; L155-F1070 HydrophobicContact CD1-CD2 4.44Å; L155-I1107 HydrophobicContact CD1-CD1 3.42Å; L155-I1107 VanDerWaalsContact CD1-CD1 3.42Å; L155-I1140 HydrophobicContact CD2-CD1 4.23Å; L155-I1140 HydrophobicContact CD2-CG1 4.05Å
156E88.4Confident87Confident12 Ų1252.1 Ų52.16%0.05626%0.261CS..Hα-helixtrans-61.6-32.1173.6-76.8-164.3111.100113.3T152 M154 Q160 S161 K162 R1062 F1066 Y1103T152-E156 HydrophobicContact CG2-CG 4.49Å; T152-E156 WeakPolarHBondContact O-CG 3.39Å; T152-E156 PolarHBondContact O-N 3.38Å; M154-E156 VanDerWaalsContact C-N 3.34Å; M154-E156 PolarHBondContact O-N 2.69Å; E156-Q160 CarbonylContact O-C 3.5Å; E156-Q160 PolarHBondContact O-N 3.01Å; E156-S161 WeakPolarHBondContact CG-OG 3.4Å; E156-S161 PolarHBondContact O-N 2.84Å; E156-K162 HydrophobicContact CB-CB 4.14Å; E156-K162 PolarHBondContact O-N 3.1Å; E156-R1062 IonicContact OE1-CZ 3.34Å; E156-R1062 IonicContact OE1-NE 2.76Å; E156-R1062 PolarHBondContact OE1-NE 3.46Å; E156-R1062 IonicContact OE1-NH2 3.09Å; E156-R1062 PolarHBondContact OE1-NH2 3.02Å; E156-R1062 IonicContact OE2-NH2 3.07Å; E156-F1066 HydrophobicContact CG-CD2 3.69Å; E156-F1066 HydrophobicContact CG-CE2 3.63Å; E156-Y1103 WeakPolarHBondContact OE1-CB 3.2Å
157C84.8Confident87.3Confident25 Ų2553.8 Ų53.817%0.16927%0.27CS..Hα-helixtrans-72.1-38.8175.2-66.20000111.2A130 K153 M154 L155 Q160 K162A130-C157 HydrophobicContact CB-CB 4.19Å; K153-C157 PolarHBondContact O-N 3.34Å; K153-C157 PolarHBondContact O-SG 3.48Å; M154-C157 WeakPolarHBondContact O-CB 3.19Å; M154-C157 PolarHBondContact O-N 3.17Å; M154-C157 VanDerWaalsContact O-N 3.09Å; L155-C157 VanDerWaalsContact C-N 3.28Å; L155-C157 PolarHBondContact O-N 2.81Å; C157-Q160 PolarHBondContact O-N 3.08Å; C157-K162 WeakPolarHBondContact SG-CD 3.03Å; C157-K162 PolarHBondContact SG-NZ 3.21Å
158I83.8Confident87.6Confident8 Ų849.2 Ų49.24%0.04125%0.245CC..Hα-helixtrans-69.1-45.2-179.1-66.2153.5000111A130 M154 L155 Q160 I1140 F1143A130-I158 HydrophobicContact CB-CG1 3.98Å; M154-I158 HydrophobicContact CG-CD1 4.14Å; M154-I158 WeakPolarHBondContact O-CD1 3.42Å; M154-I158 WeakPolarHBondContact O-CG1 3.49Å; M154-I158 PolarHBondContact O-N 3.34Å; M154-I158 VanDerWaalsContact O-N 3.14Å; L155-I158 HydrophobicContact CD2-CD1 4.43Å; L155-I158 PolarHBondContact O-N 3.46Å; L155-I158 VanDerWaalsContact O-N 3.17Å; I158-Q160 PolarHBondContact O-N 3.32Å; I158-I1140 HydrophobicContact CD1-CB 4.44Å; I158-I1140 HydrophobicContact CD1-CD1 4.01Å; I158-I1140 HydrophobicContact CD1-CG1 4.23Å; I158-I1140 HydrophobicContact CD1-CG2 3.41Å; I158-I1140 VanDerWaalsContact CD1-CG2 3.41Å; I158-I1140 HydrophobicContact CG1-CG2 4.17Å; I158-I1140 HydrophobicContact CG2-CG2 4.2Å; I158-F1143 HydrophobicContact CG2-CD1 4.37Å
159C83.8Confident87.7Confident5 Ų553.8 Ų53.83%0.03426%0.261CS..SBendtrans-81.90.8177.369.90000113.9L155 S161 L1065 C1069 F1143L155-C159 PolarHBondContact O-N 3.06Å; L155-C159 PolarHBondContact O-SG 3.47Å; C159-S161 PolarHBondContact O-N 3.04Å; C159-S161 VanDerWaalsContact O-N 3.07Å; C159-S161 VanDerWaalsContact SG-CB 3.58Å; C159-S161 PolarHBondContact SG-OG 3.48Å; C159-L1065 WeakPolarHBondContact CB-O 3.22Å; C159-C1069 HydrophobicContact CB-CB 3.52Å; C159-F1143 HydrophobicContact CB-CE1 4.33Å
160Q83.1Confident87.8Confident49 Ų4951.7 Ų51.723%0.22926%0.26CS..SBendtrans61.28.9-178.6-59.3175.1-31.100115E156 C157 I158 K162 Q163 R1144E156-Q160 CarbonylContact O-C 3.5Å; E156-Q160 PolarHBondContact O-N 3.01Å; C157-Q160 PolarHBondContact O-N 3.08Å; I158-Q160 PolarHBondContact O-N 3.32Å; Q160-K162 PolarHBondContact O-N 2.59Å; Q160-Q163 PolarHBondContact O-N 3.48Å; Q160-R1144 VanDerWaalsContact NE2-NH1 3.12Å
161S88.1Confident88.1Confident0 Ų050.4 Ų50.40%025%0.252CS..G310 helixtrans-64.7-21.517872.50000113E156 C159 Q163 Y164E156-S161 WeakPolarHBondContact CG-OG 3.4Å; E156-S161 PolarHBondContact O-N 2.84Å; C159-S161 PolarHBondContact O-N 3.04Å; C159-S161 VanDerWaalsContact O-N 3.07Å; C159-S161 VanDerWaalsContact SG-CB 3.58Å; C159-S161 PolarHBondContact SG-OG 3.48Å; S161-Q163 PolarHBondContact O-N 3.02Å; S161-Q163 VanDerWaalsContact O-N 3.13Å; S161-Y164 PolarHBondContact O-N 3.22Å; S161-Y164 VanDerWaalsContact O-N 3.09Å
162K85.2Confident88.3Confident110 Ų11054.1 Ų54.148%0.47827%0.269SS..G310 helixtrans-56.8-27.2177.4-171.2170.1179.2178.10113.9E156 C157 Q160 Y164 A165E156-K162 HydrophobicContact CB-CB 4.14Å; E156-K162 PolarHBondContact O-N 3.1Å; C157-K162 WeakPolarHBondContact SG-CD 3.03Å; C157-K162 PolarHBondContact SG-NZ 3.21Å; Q160-K162 PolarHBondContact O-N 2.59Å; K162-Y164 VanDerWaalsContact C-N 3.26Å; K162-Y164 PolarHBondContact O-N 3.25Å; K162-A165 VanDerWaalsContact O-CB 3.27Å; K162-A165 WeakPolarHBondContact O-CB 3.21Å; K162-A165 PolarHBondContact O-N 2.77Å; K162-A165 VanDerWaalsContact O-N 3.16Å
163Q85.7Confident88.4Confident127 Ų12759.4 Ų59.459%0.59329%0.293SS*.G310 helixtrans-62.7-36.1178.7-60.4-177.811.300111.5Q160 S161 A165Q160-Q163 PolarHBondContact O-N 3.48Å; S161-Q163 PolarHBondContact O-N 3.02Å; S161-Q163 VanDerWaalsContact O-N 3.13Å; Q163-A165 VanDerWaalsContact C-N 3.28Å; Q163-A165 PolarHBondContact O-N 3.28Å
164Y89.3Confident88.6Confident65 Ų6556 Ų5626%0.25529%0.286SS..Hα-helixtrans-78.4-7.8178.3-62.2-79.7000113.7S161 K162 A166 E167 Y168 V1058 L1065S161-Y164 PolarHBondContact O-N 3.22Å; S161-Y164 VanDerWaalsContact O-N 3.09Å; K162-Y164 VanDerWaalsContact C-N 3.26Å; K162-Y164 PolarHBondContact O-N 3.25Å; Y164-A166 PolarHBondContact O-N 2.73Å; Y164-E167 PolarHBondContact O-N 3.35Å; Y164-Y168 WeakPolarHBondContact O-CB 3.39Å; Y164-Y168 PolarHBondContact O-N 3.15Å; Y164-V1058 HydrophobicContact CD1-CG1 4.43Å; Y164-L1065 HydrophobicContact CD2-CD1 4.19Å; Y164-L1065 HydrophobicContact CE2-CD1 3.67Å
165A88.5Confident89.1Confident29 Ų2955.1 Ų55.124%0.2428%0.282CS..Hα-helixtrans-65.8-37.3-177.600000112.6K162 Q163 K169K162-A165 VanDerWaalsContact O-CB 3.27Å; K162-A165 WeakPolarHBondContact O-CB 3.21Å; K162-A165 PolarHBondContact O-N 2.77Å; K162-A165 VanDerWaalsContact O-N 3.16Å; Q163-A165 VanDerWaalsContact C-N 3.28Å; Q163-A165 PolarHBondContact O-N 3.28Å; A165-K169 PolarHBondContact O-N 3.36Å
166A89.4Confident89.3Confident67 Ų6759.9 Ų59.955%0.55431%0.306SS*.Hα-helixtrans-68.2-49.9176.800000111Y164 Y168 K169 T170Y164-A166 PolarHBondContact O-N 2.73Å; A166-Y168 VanDerWaalsContact C-N 3.35Å; A166-Y168 PolarHBondContact O-N 2.97Å; A166-K169 PolarHBondContact O-N 2.72Å; A166-T170 PolarHBondContact O-N 3.44Å; A166-T170 PolarHBondContact O-OG1 3.32Å
167E91.5Very high89.5Confident102 Ų10265.9 Ų65.948%0.47733%0.331SS..Hα-helixtrans-60.4-43.2177.5-67.3-174.3-179.400112Y164 K169 T170 K171 V1058Y164-E167 PolarHBondContact O-N 3.35Å; E167-K169 VanDerWaalsContact C-N 3.3Å; E167-K169 PolarHBondContact O-N 2.88Å; E167-T170 PolarHBondContact O-N 3.36Å; E167-K171 WeakPolarHBondContact O-CB 2.88Å; E167-K171 VanDerWaalsContact O-CG 3.24Å; E167-K171 WeakPolarHBondContact O-CG 2.99Å; E167-K171 PolarHBondContact O-N 2.95Å; E167-V1058 HydrophobicContact CB-CG1 4.19Å
168Y92.9Very high89.8Confident9 Ų965.2 Ų65.24%0.03533%0.328CS..Hα-helixtrans-54-47.3175174.3-82.5000111.1Y164 A166 K172 F1055 K1059 E1101 Y1103Y164-Y168 WeakPolarHBondContact O-CB 3.39Å; Y164-Y168 PolarHBondContact O-N 3.15Å; A166-Y168 VanDerWaalsContact C-N 3.35Å; A166-Y168 PolarHBondContact O-N 2.97Å; Y168-K172 HydrophobicContact CE1-CD 3.89Å; Y168-K172 VanDerWaalsContact O-CB 3.24Å; Y168-K172 WeakPolarHBondContact O-CB 3.28Å; Y168-K172 PolarHBondContact O-N 3.44Å; Y168-F1055 AromaticContact CD2-CE2 3.76Å; Y168-F1055 HydrophobicContact CD2-CE2 3.76Å; Y168-F1055 HydrophobicContact CD2-CZ 4.39Å; Y168-F1055 HydrophobicContact CE1-CE2 4.23Å; Y168-F1055 AromaticContact CE2-CE2 3.43Å; Y168-F1055 HydrophobicContact CE2-CE2 3.43Å; Y168-F1055 VanDerWaalsContact CE2-CE2 3.43Å; Y168-F1055 AromaticContact CE2-CZ 3.63Å; Y168-F1055 HydrophobicContact CE2-CZ 3.63Å; Y168-F1055 HydrophobicContact CG-CE2 4.3Å; Y168-F1055 AromaticContact CZ-CE2 3.68Å; Y168-F1055 AromaticContact CZ-CZ 3.79Å; Y168-K1059 HydrophobicContact CD2-CB 4.31Å; Y168-K1059 HydrophobicContact CE2-CB 4.12Å; Y168-K1059 HydrophobicContact CE2-CG 4.21Å; Y168-E1101 PolarHBondContact OH-OE2 3.41Å; Y168-Y1103 HydrophobicContact CE2-CE2 4.49Å
169K91.7Very high90.2Very high134 Ų13469.8 Ų69.858%0.58335%0.347SS*.Hα-helixtrans-65.5-47.2-179-168.3-178178.6-170.40111.2A165 A166 E167 K171 K172 E173A165-K169 PolarHBondContact O-N 3.36Å; A166-K169 PolarHBondContact O-N 2.72Å; E167-K169 VanDerWaalsContact C-N 3.3Å; E167-K169 PolarHBondContact O-N 2.88Å; K169-K171 PolarHBondContact O-N 3.35Å; K169-K172 PolarHBondContact O-N 3.44Å; K169-E173 WeakPolarHBondContact CE-OE1 3.46Å; K169-E173 WeakPolarHBondContact O-CG 3.2Å; K169-E173 PolarHBondContact O-N 3.37Å
170T92.7Very high90.6Very high90 Ų9075.5 Ų75.555%0.55237%0.373SS*.Hα-helixtrans-61.3-44.5178.6-55.50000112A166 E167 E173 A174A166-T170 PolarHBondContact O-N 3.44Å; A166-T170 PolarHBondContact O-OG1 3.32Å; E167-T170 PolarHBondContact O-N 3.36Å; T170-E173 PolarHBondContact O-N 3.49Å; T170-A174 WeakPolarHBondContact O-CB 3.25Å; T170-A174 PolarHBondContact O-N 3.3Å
171K92.7Very high91Very high67 Ų6776.6 Ų76.629%0.29138%0.381SS..Hα-helixtrans-67.6-36.7177.9-65.3-64.3-175.1179.50112.1E167 K169 A174 L175 E1054 F1055E167-K171 WeakPolarHBondContact O-CB 2.88Å; E167-K171 VanDerWaalsContact O-CG 3.24Å; E167-K171 WeakPolarHBondContact O-CG 2.99Å; E167-K171 PolarHBondContact O-N 2.95Å; K169-K171 PolarHBondContact O-N 3.35Å; K171-A174 PolarHBondContact O-N 3.32Å; K171-L175 WeakPolarHBondContact O-CB 3.44Å; K171-L175 PolarHBondContact O-N 3.27Å; K171-E1054 HydrophobicContact CD-CB 4.22Å; K171-E1054 IonicContact NZ-OE2 2.85Å; K171-E1054 PolarHBondContact NZ-OE2 3.05Å; K171-F1055 HydrophobicContact CB-CB 4.27Å; K171-F1055 HydrophobicContact CB-CD2 4.29Å
172K92.6Very high91.1Very high90 Ų9077.8 Ų77.839%0.39139%0.388SS..Hα-helixtrans-63.6-45.4175.1-171.6171.9-174.9167.20112.1Y168 K169 L175 M176 F1055Y168-K172 HydrophobicContact CE1-CD 3.89Å; Y168-K172 VanDerWaalsContact O-CB 3.24Å; Y168-K172 WeakPolarHBondContact O-CB 3.28Å; Y168-K172 PolarHBondContact O-N 3.44Å; K169-K172 PolarHBondContact O-N 3.44Å; K172-L175 PolarHBondContact O-N 3.07Å; K172-M176 WeakPolarHBondContact O-CG 3.31Å; K172-M176 PolarHBondContact O-N 3.17Å; K172-F1055 HydrophobicContact CB-CD2 4.03Å; K172-F1055 HydrophobicContact CB-CE2 3.72Å; K172-F1055 HydrophobicContact CD-CE2 4.29Å; K172-F1055 HydrophobicContact CD-CZ 4.48Å; K172-F1055 HydrophobicContact CG-CE2 4.09Å; K172-F1055 HydrophobicContact CG-CZ 4.45Å
173E92.6Very high91.3Very high114 Ų11479 Ų7953%0.53340%0.395SS..Hα-helixtrans-63.2-43.5176-72.5171.4-174.100111.4K169 T170 L175 M176 K177K169-E173 WeakPolarHBondContact CE-OE1 3.46Å; K169-E173 WeakPolarHBondContact O-CG 3.2Å; K169-E173 PolarHBondContact O-N 3.37Å; T170-E173 PolarHBondContact O-N 3.49Å; E173-L175 VanDerWaalsContact C-N 3.35Å; E173-L175 PolarHBondContact O-N 3.07Å; E173-M176 PolarHBondContact O-N 3.49Å; E173-K177 PolarHBondContact O-N 2.76Å; E173-K177 VanDerWaalsContact O-N 3.07Å
174A92.4Very high91.6Very high42 Ų4278.1 Ų78.135%0.34739%0.39SS..Hα-helixtrans-61.8-39.2175.600000112.9T170 K171 A178T170-A174 WeakPolarHBondContact O-CB 3.25Å; T170-A174 PolarHBondContact O-N 3.3Å; K171-A174 PolarHBondContact O-N 3.32Å; A174-A178 WeakPolarHBondContact O-CB 3.14Å; A174-A178 PolarHBondContact O-N 3.45Å
175L93.7Very high91.7Very high10 Ų1077.3 Ų77.35%0.05239%0.388CS..Hα-helixtrans-64.6-45175.5175.960.1000112.2K171 K172 E173 A178 K179 C1051 N1052 F1055K171-L175 WeakPolarHBondContact O-CB 3.44Å; K171-L175 PolarHBondContact O-N 3.27Å; K172-L175 PolarHBondContact O-N 3.07Å; E173-L175 VanDerWaalsContact C-N 3.35Å; E173-L175 PolarHBondContact O-N 3.07Å; L175-A178 PolarHBondContact O-N 2.89Å; L175-K179 HydrophobicContact CD1-CD 4.4Å; L175-K179 HydrophobicContact CD1-CG 4.34Å; L175-K179 HydrophobicContact CG-CD 4.45Å; L175-K179 WeakPolarHBondContact O-CG 3.47Å; L175-K179 PolarHBondContact O-N 3.47Å; L175-C1051 HydrophobicContact CB-CB 4.31Å; L175-C1051 HydrophobicContact CD1-CB 4.18Å; L175-N1052 HydrophobicContact CD1-CB 3.77Å; L175-F1055 HydrophobicContact CD2-CB 4.29Å; L175-F1055 HydrophobicContact CD2-CD1 3.91Å; L175-F1055 HydrophobicContact CD2-CG 4.18Å
176M92.3Very high91.8Very high103 Ų10381 Ų8151%0.50740%0.399SS..Hα-helixtrans-61.2-46.7178.7-70.8-63.2-72.500110.9K172 E173 A178 K179 E180K172-M176 WeakPolarHBondContact O-CG 3.31Å; K172-M176 PolarHBondContact O-N 3.17Å; E173-M176 PolarHBondContact O-N 3.49Å; M176-A178 PolarHBondContact O-N 3.12Å; M176-K179 PolarHBondContact O-N 2.94Å; M176-E180 WeakPolarHBondContact O-CG 3.46Å; M176-E180 PolarHBondContact O-N 3.19Å
177K92.4Very high91.7Very high137 Ų13782 Ų8260%0.59640%0.396SS*.Hα-helixtrans-59.8-45.2176.2-171.4176.2179.4179.50112.5E173 K179 E180 D181E173-K177 PolarHBondContact O-N 2.76Å; E173-K177 VanDerWaalsContact O-N 3.07Å; K177-K179 VanDerWaalsContact C-N 3.3Å; K177-K179 PolarHBondContact O-N 3.44Å; K177-E180 PolarHBondContact O-N 2.88Å; K177-D181 PolarHBondContact O-N 3.49Å
178A92.3Very high91.5Very high11 Ų1182.4 Ų82.49%0.09140%0.395CS..Hα-helixtrans-64.1-33.417800000113.1A174 L175 M176 T182 A1048A174-A178 WeakPolarHBondContact O-CB 3.14Å; A174-A178 PolarHBondContact O-N 3.45Å; L175-A178 PolarHBondContact O-N 2.89Å; M176-A178 PolarHBondContact O-N 3.12Å; A178-T182 WeakPolarHBondContact O-CB 3.44Å; A178-T182 PolarHBondContact O-N 3.2Å; A178-T182 PolarHBondContact O-OG1 3.22Å; A178-A1048 HydrophobicContact CB-CB 4.04Å
179K91.3Very high91.3Very high105 Ų10584.6 Ų84.646%0.45741%0.405SS..Hα-helixtrans-68-43.4174.3-76.8-179.3178.5177.40111.8L175 M176 K177 T182 Q183L175-K179 HydrophobicContact CD1-CD 4.4Å; L175-K179 HydrophobicContact CD1-CG 4.34Å; L175-K179 HydrophobicContact CG-CD 4.45Å; L175-K179 WeakPolarHBondContact O-CG 3.47Å; L175-K179 PolarHBondContact O-N 3.47Å; M176-K179 PolarHBondContact O-N 2.94Å; K177-K179 VanDerWaalsContact C-N 3.3Å; K177-K179 PolarHBondContact O-N 3.44Å; K179-T182 PolarHBondContact O-N 3.39Å; K179-Q183 PolarHBondContact O-N 2.94Å
180E91.8Very high91.1Very high124 Ų12484.8 Ų84.858%0.57941%0.406SS*.Hα-helixtrans-60.6-46.7175.3-70.5172.5-177.900111.5M176 K177 T182 Q183 F184M176-E180 WeakPolarHBondContact O-CG 3.46Å; M176-E180 PolarHBondContact O-N 3.19Å; K177-E180 PolarHBondContact O-N 2.88Å; E180-T182 VanDerWaalsContact C-N 3.34Å; E180-T182 PolarHBondContact O-N 3.46Å; E180-Q183 PolarHBondContact O-N 3.01Å; E180-F184 PolarHBondContact O-N 2.77Å
181D91.1Very high90.7Very high72 Ų7284.6 Ų84.639%0.38541%0.408SS..Hα-helixtrans-60.3-42.3176.8-71.2-23.7000111.7K177 Q183 F184 H185K177-D181 PolarHBondContact O-N 3.49Å; D181-Q183 VanDerWaalsContact C-N 3.34Å; D181-Q183 PolarHBondContact O-N 3.47Å; D181-F184 WeakPolarHBondContact O-CB 3.34Å; D181-F184 PolarHBondContact O-N 3.42Å; D181-H185 PolarHBondContact O-CD2 2.92Å; D181-H185 PolarHBondContact O-N 3.44Å
182T91.4Very high90.4Very high25 Ų2582 Ų8215%0.15340%0.399CS..Hα-helixtrans-62.1-42.4177.3-55.80000111.4A178 K179 E180 H185 F186 F1041 S1044A178-T182 WeakPolarHBondContact O-CB 3.44Å; A178-T182 PolarHBondContact O-N 3.2Å; A178-T182 PolarHBondContact O-OG1 3.22Å; K179-T182 PolarHBondContact O-N 3.39Å; E180-T182 VanDerWaalsContact C-N 3.34Å; E180-T182 PolarHBondContact O-N 3.46Å; T182-H185 PolarHBondContact O-N 3.49Å; T182-F186 WeakPolarHBondContact O-CB 3.32Å; T182-F186 PolarHBondContact O-N 2.95Å; T182-F1041 HydrophobicContact CG2-CD2 4.42Å; T182-F1041 HydrophobicContact CG2-CE2 3.89Å; T182-S1044 PolarHBondContact OG1-O 3.33Å
183Q89.6Confident89.9Confident135 Ų13579.9 Ų79.963%0.63139%0.394SS*.Hα-helixtrans-66.7-38.2178-171.8164.85.400111.9K179 E180 D181 F186 N187K179-Q183 PolarHBondContact O-N 2.94Å; E180-Q183 PolarHBondContact O-N 3.01Å; D181-Q183 VanDerWaalsContact C-N 3.34Å; D181-Q183 PolarHBondContact O-N 3.47Å; Q183-F186 PolarHBondContact O-N 3.48Å; Q183-N187 PolarHBondContact O-N 2.77Å; Q183-N187 PolarHBondContact O-ND2 3.2Å
184F91.5Very high89.6Confident110 Ų11079 Ų7948%0.48240%0.396SS..Hα-helixtrans-62.1-48.4173.4176.4-101.8000112.3E180 D181 F186 N187 K188E180-F184 PolarHBondContact O-N 2.77Å; D181-F184 WeakPolarHBondContact O-CB 3.34Å; D181-F184 PolarHBondContact O-N 3.42Å; F184-F186 PolarHBondContact O-N 3.23Å; F184-N187 PolarHBondContact O-N 3.47Å; F184-K188 HydrophobicContact CE1-CD 4.03Å; F184-K188 HydrophobicContact CZ-CD 4.15Å; F184-K188 PolarHBondContact O-N 2.84Å
185H91Very high89.1Confident47 Ų4781.5 Ų81.522%0.21840%0.401CS..Hα-helixtrans-66-35.1178.5-73.4-61.7000113D181 T182 N187 K188 K189 F1041D181-H185 PolarHBondContact O-CD2 2.92Å; D181-H185 PolarHBondContact O-N 3.44Å; T182-H185 PolarHBondContact O-N 3.49Å; H185-N187 PolarHBondContact O-N 3.07Å; H185-K188 PolarHBondContact O-N 2.93Å; H185-K189 PolarHBondContact O-N 2.76Å; H185-F1041 HydrophobicContact CB-CB 4.11Å; H185-F1041 HydrophobicContact CB-CD2 4.21Å
186F90.4Very high88.6Confident107 Ų10786.2 Ų86.247%0.46942%0.418SS..Hα-helixtrans-59.1-45.9174.3178.9-103.5000112.2T182 Q183 F184 K188 K189 K190 F1041T182-F186 WeakPolarHBondContact O-CB 3.32Å; T182-F186 PolarHBondContact O-N 2.95Å; Q183-F186 PolarHBondContact O-N 3.48Å; F184-F186 PolarHBondContact O-N 3.23Å; F186-K188 VanDerWaalsContact C-N 3.34Å; F186-K188 PolarHBondContact O-N 3.44Å; F186-K189 PolarHBondContact O-N 3.48Å; F186-K190 PolarHBondContact O-N 2.96Å; F186-F1041 HydrophobicContact CB-CD2 4.07Å; F186-F1041 HydrophobicContact CB-CE2 3.76Å; F186-F1041 AromaticContact CD2-CE2 3.99Å; F186-F1041 HydrophobicContact CD2-CE2 3.99Å; F186-F1041 HydrophobicContact CD2-CZ 4.17Å; F186-F1041 HydrophobicContact CG-CE2 4.36Å
187N87.9Confident88.1Confident89 Ų8988 Ų8848%0.47642%0.423SS..Hα-helixtrans-62.5-40.3178.6-72.5-21.5000111.8Q183 F184 H185 K190 S191Q183-N187 PolarHBondContact O-N 2.77Å; Q183-N187 PolarHBondContact O-ND2 3.2Å; F184-N187 PolarHBondContact O-N 3.47Å; H185-N187 PolarHBondContact O-N 3.07Å; N187-K190 PolarHBondContact O-N 3.42Å; N187-S191 PolarHBondContact O-N 3.46Å; N187-S191 PolarHBondContact O-OG 3.27Å
188K88.1Confident87.4Confident109 Ų10987.4 Ų87.447%0.47442%0.422SS..Hα-helixtrans-65-42.2174.6-76.5-168.4170.7-177.50112.9F184 H185 F186 K190 S191 A192 V1037F184-K188 HydrophobicContact CE1-CD 4.03Å; F184-K188 HydrophobicContact CZ-CD 4.15Å; F184-K188 PolarHBondContact O-N 2.84Å; H185-K188 PolarHBondContact O-N 2.93Å; F186-K188 VanDerWaalsContact C-N 3.34Å; F186-K188 PolarHBondContact O-N 3.44Å; K188-K190 VanDerWaalsContact C-N 3.3Å; K188-K190 PolarHBondContact O-N 3.05Å; K188-S191 PolarHBondContact O-N 2.96Å; K188-A192 PolarHBondContact O-N 3.01Å; K188-A192 VanDerWaalsContact O-N 3.11Å; K188-V1037 HydrophobicContact CB-CG1 3.88Å
189K88.6Confident86.8Confident56 Ų5687.6 Ų87.624%0.24342%0.422CS..Hα-helixtrans-60.1-41.2177.7-176.7178.3178.5174.80111.6H185 F186 T193 V1037 F1041H185-K189 PolarHBondContact O-N 2.76Å; F186-K189 PolarHBondContact O-N 3.48Å; K189-T193 WeakPolarHBondContact O-CB 2.91Å; K189-T193 PolarHBondContact O-N 3.31Å; K189-T193 VanDerWaalsContact O-N 3.1Å; K189-T193 PolarHBondContact O-OG1 3.43Å; K189-V1037 HydrophobicContact CB-CG1 3.92Å; K189-F1041 HydrophobicContact CD-CB 4.32Å; K189-F1041 HydrophobicContact CD-CD1 4.01Å; K189-F1041 HydrophobicContact CD-CG 4.16Å
190K87.4Confident86.1Confident138 Ų13885.5 Ų85.560%0.642%0.421SS*.Hα-helixtrans-60-47177-172.8177.7177.5-179.20111.5F186 N187 K188 T193 V194F186-K190 PolarHBondContact O-N 2.96Å; N187-K190 PolarHBondContact O-N 3.42Å; K188-K190 VanDerWaalsContact C-N 3.3Å; K188-K190 PolarHBondContact O-N 3.05Å; K190-T193 PolarHBondContact O-N 3.28Å; K190-V194 PolarHBondContact O-N 3.33Å
191S84.3Confident85.3Confident85 Ų8585.5 Ų85.559%0.59442%0.424SS*.Hα-helixtrans-63.5-47178.9-57.90000112.8N187 K188 T193 V194 E195N187-S191 PolarHBondContact O-N 3.46Å; N187-S191 PolarHBondContact O-OG 3.27Å; K188-S191 PolarHBondContact O-N 2.96Å; S191-T193 VanDerWaalsContact C-N 3.29Å; S191-T193 PolarHBondContact O-N 3.26Å; S191-V194 PolarHBondContact O-N 3.45Å; S191-E195 PolarHBondContact O-N 3.1Å
192A84.8Confident84.5Confident12 Ų1284.8 Ų84.810%0.09942%0.418CS..Hα-helixtrans-65.2-29.9-179.900000113.4K188 E195 R196 L1034K188-A192 PolarHBondContact O-N 3.01Å; K188-A192 VanDerWaalsContact O-N 3.11Å; A192-E195 PolarHBondContact O-N 3.11Å; A192-R196 PolarHBondContact O-N 3.28Å; A192-L1034 HydrophobicContact CB-CD1 3.85Å
193T84Confident83.7Confident47 Ų4787.5 Ų87.529%0.28843%0.428SS..Hα-helixtrans-70.1-34.8178-56.50000112.2K189 K190 S191K189-T193 WeakPolarHBondContact O-CB 2.91Å; K189-T193 PolarHBondContact O-N 3.31Å; K189-T193 VanDerWaalsContact O-N 3.1Å; K189-T193 PolarHBondContact O-OG1 3.43Å; K190-T193 PolarHBondContact O-N 3.28Å; S191-T193 VanDerWaalsContact C-N 3.29Å; S191-T193 PolarHBondContact O-N 3.26Å
194V84.6Confident82.9Confident96 Ų9685.5 Ų85.558%0.58243%0.425SS*.Hα-helixtrans-68.1-44176174.90000110K190 S191 R196 K197 Q198K190-V194 PolarHBondContact O-N 3.33Å; S191-V194 PolarHBondContact O-N 3.45Å; V194-R196 PolarHBondContact O-N 3.32Å; V194-K197 PolarHBondContact O-N 3.27Å; V194-Q198 PolarHBondContact O-N 3.36Å
195E83Confident81.9Confident93 Ų9384.5 Ų84.544%0.43542%0.421SS..Hα-helixtrans-58.9-44.6178-167.8177.6-179.800112.4S191 A192 K197 Q198 V199 V1030S191-E195 PolarHBondContact O-N 3.1Å; A192-E195 PolarHBondContact O-N 3.11Å; E195-K197 PolarHBondContact O-N 3.36Å; E195-Q198 PolarHBondContact O-N 2.82Å; E195-V199 PolarHBondContact O-N 2.69Å; E195-V1030 HydrophobicContact CB-CG1 4.4Å; E195-V1030 HydrophobicContact CG-CG1 4.2Å; E195-V1030 HydrophobicContact CG-CG2 4.27Å
196R83.6Confident80.8Confident109 Ų10982.4 Ų82.441%0.41141%0.413SS..Hα-helixtrans-59.8-41178.6-170.8-171.971.2174.16.5113.5A192 V194 Q198 S200 M1027 V1030 L1034A192-R196 PolarHBondContact O-N 3.28Å; V194-R196 PolarHBondContact O-N 3.32Å; R196-Q198 VanDerWaalsContact C-N 3.27Å; R196-Q198 PolarHBondContact O-N 3.09Å; R196-S200 PolarHBondContact O-N 3.07Å; R196-M1027 HydrophobicContact CG-SD 4.42Å; R196-V1030 HydrophobicContact CB-CG1 3.86Å; R196-V1030 HydrophobicContact CG-CG1 4.39Å; R196-L1034 HydrophobicContact CB-CD2 4.44Å
197K80.6Confident79.8Confident142 Ų14283.3 Ų83.362%0.61742%0.418SS*.Hα-helixtrans-65.1-35.7-177.8-76.8-174.5175.4-175.20111.5V194 E195V194-K197 PolarHBondContact O-N 3.27Å; E195-K197 PolarHBondContact O-N 3.36Å
198Q78.1Confident78.9Confident123 Ų12386 Ų8658%0.57543%0.426SS*.Hα-helixtrans-66.2-50.4178.8-171.9171-700111.5V194 E195 R196 S200 L201V194-Q198 PolarHBondContact O-N 3.36Å; E195-Q198 PolarHBondContact O-N 2.82Å; R196-Q198 VanDerWaalsContact C-N 3.27Å; R196-Q198 PolarHBondContact O-N 3.09Å; Q198-S200 VanDerWaalsContact C-N 3.25Å; Q198-S200 PolarHBondContact O-N 3.07Å; Q198-L201 PolarHBondContact O-N 3.25Å
199V79.5Confident78Confident15 Ų1583.3 Ų83.39%0.09141%0.413CS..Hα-helixtrans-67.2-22.7-176.4-174.30000113.1E195 K203 A1023 K1026 M1027 V1030E195-V199 PolarHBondContact O-N 2.69Å; V199-K203 PolarHBondContact O-N 2.86Å; V199-A1023 HydrophobicContact CG1-CB 4.45Å; V199-K1026 HydrophobicContact CG1-CB 4.21Å; V199-M1027 HydrophobicContact CB-CE 3.9Å; V199-M1027 HydrophobicContact CG1-CB 4.13Å; V199-M1027 HydrophobicContact CG1-CE 3.96Å; V199-V1030 HydrophobicContact CG2-CG2 4.45Å
200S76Confident77Confident61 Ų6185.4 Ų85.443%0.42742%0.424SS..Hα-helixtrans-75.1-30.3-178.6-169.80000114R196 Q198 M1027R196-S200 PolarHBondContact O-N 3.07Å; Q198-S200 VanDerWaalsContact C-N 3.25Å; Q198-S200 PolarHBondContact O-N 3.07Å; S200-M1027 VanDerWaalsContact CB-CE 3.43Å
201L75.6Confident76.1Confident124 Ų12486.7 Ų86.765%0.64943%0.432SS*.Hα-helixtrans-71.4-40.2176.3-69.1163.8000109.6Q198 K203 V204Q198-L201 PolarHBondContact O-N 3.25Å; L201-K203 VanDerWaalsContact C-N 3.29Å; L201-K203 PolarHBondContact O-N 3.12Å; L201-V204 PolarHBondContact O-N 3.02Å
202E73.8Confident75.4Confident58 Ų5884.7 Ų84.727%0.27141%0.414SS..Hα-helixtrans-61-31.2178.6-62.8176-16500113.8N1020 A1023E202-N1020 PolarHBondContact OE2-ND2 3.17Å; E202-A1023 HydrophobicContact CB-CB 3.79Å
203K75.4Confident74.7Confident82 Ų8285.8 Ų85.836%0.35742%0.419SS..Hα-helixtrans-70.1-42.8-179171.7179.71671760113.6V199 L201 E205 A206 L1024V199-K203 PolarHBondContact O-N 2.86Å; L201-K203 VanDerWaalsContact C-N 3.29Å; L201-K203 PolarHBondContact O-N 3.12Å; K203-E205 VanDerWaalsContact C-N 3.29Å; K203-E205 PolarHBondContact O-N 3.22Å; K203-A206 VanDerWaalsContact O-CB 3.28Å; K203-A206 WeakPolarHBondContact O-CB 2.92Å; K203-A206 PolarHBondContact O-N 2.92Å; K203-L1024 HydrophobicContact CD-CD2 3.65Å; K203-L1024 HydrophobicContact CG-CD2 3.63Å; K203-L1024 HydrophobicContact CG-CG 4.19Å
204V73.4Confident73.9Confident92 Ų9288.9 Ų88.956%0.55843%0.434SS*.Hα-helixtrans-71.6-31.6-172172.80000111L201 A206L201-V204 PolarHBondContact O-N 3.02Å; V204-A206 VanDerWaalsContact C-N 3.3Å; V204-A206 PolarHBondContact O-N 3.31Å
205E69.9Low73.2Confident89 Ų8989.8 Ų89.842%0.41644%0.436SS..Hα-helixtrans-63.7-39.7174.6-66.5172.1-179.100109.8K203 Q207 K208 P1019K203-E205 VanDerWaalsContact C-N 3.29Å; K203-E205 PolarHBondContact O-N 3.22Å; E205-Q207 VanDerWaalsContact C-N 3.32Å; E205-Q207 PolarHBondContact O-N 3.41Å; E205-K208 PolarHBondContact O-N 3.45Å; E205-P1019 HydrophobicContact CB-CB 3.78Å; E205-P1019 HydrophobicContact CB-CG 3.66Å; E205-P1019 VanDerWaalsContact O-CG 3.25Å; E205-P1019 WeakPolarHBondContact O-CG 3.18Å
206A68.4Low72.5Confident4 Ų485.4 Ų85.43%0.03342%0.415CS..Hα-helixtrans-51.5-40.8-173.500000115.4K203 V204 P1019 L1021K203-A206 VanDerWaalsContact O-CB 3.28Å; K203-A206 WeakPolarHBondContact O-CB 2.92Å; K203-A206 PolarHBondContact O-N 2.92Å; V204-A206 VanDerWaalsContact C-N 3.3Å; V204-A206 PolarHBondContact O-N 3.31Å; A206-P1019 HydrophobicContact CB-CB 3.7Å; A206-P1019 HydrophobicContact CB-CG 4.22Å; A206-L1021 HydrophobicContact CB-CD2 4.43Å
207Q68.9Low71.9Confident126 Ų12683.1 Ų83.159%0.58941%0.411SS*.Hα-helixtrans-79-31.8-169.6-66.9-179.1-51.400113.1E205 Y209E205-Q207 VanDerWaalsContact C-N 3.32Å; E205-Q207 PolarHBondContact O-N 3.41Å; Q207-Y209 VanDerWaalsContact C-N 3.31Å; Q207-Y209 PolarHBondContact O-N 3.28Å
208K68.9Low71.3Confident146 Ų14683.8 Ų83.864%0.63542%0.417SS*.Hα-helixtrans-76.6-21.1-178.7-69-177.3177.2-177.70113.3E205 Q210E205-K208 PolarHBondContact O-N 3.45Å; K208-Q210 VanDerWaalsContact C-N 3.35Å
209Y68.4Low71.1Confident51 Ų5182.4 Ų82.420%0.241%0.409CS..Hα-helixtrans-70.4-30.5-179.3-173.1-95.9000112.4Q207 V213 L1013 T1016 P1018Q207-Y209 VanDerWaalsContact C-N 3.31Å; Q207-Y209 PolarHBondContact O-N 3.28Å; Y209-V213 HydrophobicContact CD1-CG2 4.47Å; Y209-V213 HydrophobicContact CE1-CG2 4.32Å; Y209-V213 WeakPolarHBondContact O-CG2 3.46Å; Y209-L1013 HydrophobicContact CD2-CG 4.31Å; Y209-L1013 HydrophobicContact CE2-CD1 4.46Å; Y209-L1013 HydrophobicContact CE2-CD2 4.23Å; Y209-L1013 HydrophobicContact CE2-CG 3.81Å; Y209-L1013 WeakPolarHBondContact CE2-O 3.44Å; Y209-L1013 WeakPolarHBondContact O-CD1 3.05Å; Y209-T1016 VanDerWaalsContact CD2-O 3.28Å; Y209-T1016 WeakPolarHBondContact CD2-O 3.46Å; Y209-T1016 WeakPolarHBondContact CE2-O 3.35Å; Y209-P1018 HydrophobicContact CE1-CB 4.24Å; Y209-P1018 HydrophobicContact CE2-CB 3.94Å
210Q67.7Low70.6Confident101 Ų10184.4 Ų84.447%0.47242%0.415SS..Hα-helixtrans-73.3-40.5-171.1-166.465.738.100114.2K208 L212 V213K208-Q210 VanDerWaalsContact C-N 3.35Å; Q210-L212 VanDerWaalsContact C-N 3.28Å; Q210-L212 PolarHBondContact O-N 3.49Å; Q210-V213 PolarHBondContact O-N 3.18Å
211E70.1Confident70.3Confident164 Ų16484.1 Ų84.177%0.76641%0.408SS*.Hα-helixtrans-67-26.7-176.4-69174.4172.300113.3
212L69.1Low70.1Confident44 Ų4482.9 Ų82.923%0.2340%0.399CS..Hα-helixtrans-80.5-13.9179.1-86.8140.6000113.4Q210 V1012 L1013Q210-L212 VanDerWaalsContact C-N 3.28Å; Q210-L212 PolarHBondContact O-N 3.49Å; L212-V1012 HydrophobicContact CD1-CG1 3.96Å; L212-V1012 HydrophobicContact CD2-CB 3.91Å; L212-V1012 HydrophobicContact CD2-CG1 3.41Å; L212-V1012 VanDerWaalsContact CD2-CG1 3.41Å; L212-V1012 HydrophobicContact CG-CG1 4.35Å; L212-L1013 VanDerWaalsContact C-CD1 3.44Å; L212-L1013 HydrophobicContact CB-CD1 3.21Å; L212-L1013 HydrophobicContact CB-CG 4.49Å; L212-L1013 HydrophobicContact CG-CD1 4.49Å
213V68.8Low70Confident34 Ų3480.9 Ų80.921%0.20639%0.39CS..Hα-helixtrans-73.1-31.6-178.3177.40000112.1Y209 Q210 L216 L1013Y209-V213 HydrophobicContact CD1-CG2 4.47Å; Y209-V213 HydrophobicContact CE1-CG2 4.32Å; Y209-V213 WeakPolarHBondContact O-CG2 3.46Å; Q210-V213 PolarHBondContact O-N 3.18Å; V213-L216 WeakPolarHBondContact O-CB 3.47Å; V213-L1013 HydrophobicContact CG2-CD1 3.75Å; V213-L1013 HydrophobicContact CG2-CD2 4.21Å
214D67.5Low69.7Low112 Ų11277.5 Ų77.560%0.59938%0.377SS*.Hα-helixtrans-76.9-42.3-169.3-67.1-23.8000113L216 N217D214-L216 PolarHBondContact O-N 3.48Å; D214-N217 PolarHBondContact O-N 3.32Å
215D69.9Low69.6Low115 Ų11573.8 Ų73.862%0.61535%0.354SS*.Hα-helixtrans-64.4-25.6177.4-100.6-3.4000113.1N217D215-N217 VanDerWaalsContact C-N 3.35Å; D215-N217 PolarHBondContact O-N 2.78Å
216L69.7Low69.9Low1 Ų169.8 Ų69.81%0.00534%0.335CS..Hα-helixtrans-70.4-28.6-177.2-179.463.8000112.9V213 D214 R220 V1006 L1009 E1010 L1013V213-L216 WeakPolarHBondContact O-CB 3.47Å; D214-L216 PolarHBondContact O-N 3.48Å; L216-R220 VanDerWaalsContact CD2-CZ 3.46Å; L216-R220 VanDerWaalsContact CD2-NH2 3.28Å; L216-R220 WeakPolarHBondContact O-CG 3.4Å; L216-V1006 HydrophobicContact CD1-CG1 3.87Å; L216-V1006 WeakPolarHBondContact CD1-O 3.41Å; L216-L1009 HydrophobicContact CD1-CB 4.09Å; L216-E1010 HydrophobicContact CD1-CB 4.04Å; L216-E1010 HydrophobicContact CD1-CG 3.6Å; L216-E1010 HydrophobicContact CD2-CG 3.77Å; L216-E1010 HydrophobicContact CG-CG 4.26Å; L216-L1013 HydrophobicContact CD2-CD2 4.04Å
217N70.6Confident70Confident61 Ų6171.5 Ų71.533%0.32634%0.342SS..Hα-helixtrans-74.7-32.9-171.8-69.7-32.7000114.1D214 D215 K219 R220D214-N217 PolarHBondContact O-N 3.32Å; D215-N217 VanDerWaalsContact C-N 3.35Å; D215-N217 PolarHBondContact O-N 2.78Å; N217-K219 PolarHBondContact O-N 3.16Å; N217-R220 PolarHBondContact O-N 3.01Å; N217-R220 PolarHBondContact OD1-NH1 3.33Å
218Q68.6Low70.3Confident157 Ų15765.5 Ų65.573%0.73431%0.314SS*.Hα-helixtrans-69.5-34.2-179.4-171177.88.500113
219K71.9Confident70.6Confident94 Ų9463.2 Ų63.241%0.40930%0.302SS..Hα-helixtrans-78.1-20.7178.7-68.5-67.9-178.2-177.60113N217 V1006N217-K219 PolarHBondContact O-N 3.16Å; K219-V1006 HydrophobicContact CB-CG2 3.61Å; K219-V1006 WeakPolarHBondContact O-CG2 2.74Å
220R69.1Low70.9Confident56 Ų5663.5 Ų63.521%0.21131%0.305CS..Hα-helixtrans-68-34.8175.4-76.5169.6169174.7-9.8113.3L216 N217 Q222 L223 S224 V1006 E1010L216-R220 VanDerWaalsContact CD2-CZ 3.46Å; L216-R220 VanDerWaalsContact CD2-NH2 3.28Å; L216-R220 WeakPolarHBondContact O-CG 3.4Å; N217-R220 PolarHBondContact O-N 3.01Å; N217-R220 PolarHBondContact OD1-NH1 3.33Å; R220-Q222 PolarHBondContact O-N 3.03Å; R220-L223 PolarHBondContact O-N 3.41Å; R220-S224 PolarHBondContact O-N 3.27Å; R220-S224 VanDerWaalsContact O-N 3.09Å; R220-S224 PolarHBondContact O-OG 2.96Å; R220-V1006 HydrophobicContact CG-CG1 4.03Å; R220-E1010 IonicContact CZ-OE1 3.98Å; R220-E1010 VanDerWaalsContact CZ-OE1 3.29Å; R220-E1010 IonicContact NE-OE1 2.76Å; R220-E1010 PolarHBondContact NE-OE1 3.2Å; R220-E1010 IonicContact NH2-OE1 3.48Å; R220-E1010 PolarHBondContact NH2-OE1 3.36Å
221L71.4Confident71.4Confident55 Ų5559 Ų5929%0.28829%0.285SS..Hα-helixtrans-55.5-51.2-178.3-174.955000113.6L223 S224 L938L221-L223 VanDerWaalsContact C-N 3.28Å; L221-L223 PolarHBondContact O-N 3Å; L221-S224 PolarHBondContact O-N 3.4Å; L221-L938 HydrophobicContact CB-CD2 3.54Å; L221-L938 HydrophobicContact CD1-CB 3.61Å; L221-L938 HydrophobicContact CD1-CD1 4.35Å; L221-L938 HydrophobicContact CD1-CD2 3.51Å; L221-L938 HydrophobicContact CD1-CG 4.01Å; L221-L938 HydrophobicContact CD2-CD2 4.33Å; L221-L938 HydrophobicContact CG-CD2 3.93Å
222Q70.7Confident71.6Confident99 Ų9954.4 Ų54.446%0.46326%0.263SS..Hα-helixtrans-69.3-28.7-177.7-68.6-170.8-46.600112.4R220 L1002R220-Q222 PolarHBondContact O-N 3.03Å; Q222-L1002 HydrophobicContact CB-CD2 4.41Å
223L71.1Confident71.9Confident16 Ų1659.6 Ų59.68%0.08428%0.284CS..Hα-helixtrans-71.4-42.4177.4178.760.5000111.3R220 L221 L225 F226 E227 L1002 K1003 V1006R220-L223 PolarHBondContact O-N 3.41Å; L221-L223 VanDerWaalsContact C-N 3.28Å; L221-L223 PolarHBondContact O-N 3Å; L223-L225 PolarHBondContact O-N 2.88Å; L223-F226 PolarHBondContact O-N 3.44Å; L223-E227 HydrophobicContact CD1-CG 4.15Å; L223-E227 HydrophobicContact CG-CG 4.41Å; L223-E227 WeakPolarHBondContact O-CG 3.05Å; L223-E227 PolarHBondContact O-N 3.26Å; L223-L1002 HydrophobicContact CD1-CB 4.31Å; L223-K1003 HydrophobicContact CD1-CD 4.44Å; L223-K1003 HydrophobicContact CD1-CG 3.62Å; L223-K1003 HydrophobicContact CD2-CG 3.95Å; L223-K1003 HydrophobicContact CG-CG 4.45Å; L223-V1006 HydrophobicContact CD2-CB 4.34Å; L223-V1006 HydrophobicContact CD2-CG1 4.45Å; L223-V1006 HydrophobicContact CD2-CG2 4.1Å
224S70.3Confident72.1Confident10 Ų1059 Ų597%0.0728%0.284CS..Hα-helixtrans-66-35.4-174-600000114.5R220 L221 F226 E227 L228 C933R220-S224 PolarHBondContact O-N 3.27Å; R220-S224 VanDerWaalsContact O-N 3.09Å; R220-S224 PolarHBondContact O-OG 2.96Å; L221-S224 PolarHBondContact O-N 3.4Å; S224-F226 VanDerWaalsContact C-N 3.34Å; S224-F226 PolarHBondContact O-N 3.47Å; S224-E227 PolarHBondContact O-N 2.68Å; S224-L228 WeakPolarHBondContact O-CG 3.11Å; S224-L228 PolarHBondContact O-N 3.34Å; S224-C933 VanDerWaalsContact CB-SG 3.5Å
225L71Confident72.7Confident14 Ų1454.3 Ų54.37%0.07326%0.259CS..Hα-helixtrans-67.4-32.9177.5-72.4169.7000112.8L223 I940 L982L223-L225 PolarHBondContact O-N 2.88Å; L225-I940 HydrophobicContact CD2-CD1 3.78Å; L225-I940 HydrophobicContact CD2-CG1 4.17Å; L225-I940 HydrophobicContact CD2-CG2 3.89Å; L225-I940 HydrophobicContact CG-CD1 4.3Å; L225-L982 HydrophobicContact CB-CD1 3.5Å; L225-L982 VanDerWaalsContact CB-CD1 3.5Å
226F74.9Confident72.9Confident5 Ų554.7 Ų54.72%0.02226%0.261CS..Hα-helixtrans-74.8-36.2178.3-177.6-92.4000112.3L223 S224 L982 L986 L995 M999L223-F226 PolarHBondContact O-N 3.44Å; S224-F226 VanDerWaalsContact C-N 3.34Å; S224-F226 PolarHBondContact O-N 3.47Å; F226-L982 HydrophobicContact CB-CD1 4.35Å; F226-L982 HydrophobicContact CD2-CD2 4.42Å; F226-L986 HydrophobicContact CD2-CB 4.1Å; F226-L986 HydrophobicContact CD2-CD2 4.28Å; F226-L986 HydrophobicContact CE2-CB 4.13Å; F226-L986 HydrophobicContact CE2-CD2 4.01Å; F226-L995 HydrophobicContact CE1-CD1 4.25Å; F226-L995 HydrophobicContact CE1-CG 4.43Å; F226-L995 HydrophobicContact CE2-CD1 4.13Å; F226-L995 HydrophobicContact CZ-CD1 3.46Å; F226-L995 VanDerWaalsContact CZ-CD1 3.46Å; F226-L995 HydrophobicContact CZ-CG 4Å; F226-M999 HydrophobicContact CD1-CB 4.29Å; F226-M999 HydrophobicContact CD1-CG 4.11Å; F226-M999 HydrophobicContact CE1-CB 3.62Å; F226-M999 HydrophobicContact CE1-CG 3.83Å; F226-M999 HydrophobicContact CE1-SD 4.3Å; F226-M999 HydrophobicContact CZ-CB 4.41Å
227E71Confident73.2Confident40 Ų4058.1 Ų58.119%0.18729%0.29CS..Hα-helixtrans-72-33-177.5-69.5-175.1134.700114L223 S224 Y229 N231 M929 K1003L223-E227 HydrophobicContact CD1-CG 4.15Å; L223-E227 HydrophobicContact CG-CG 4.41Å; L223-E227 WeakPolarHBondContact O-CG 3.05Å; L223-E227 PolarHBondContact O-N 3.26Å; S224-E227 PolarHBondContact O-N 2.68Å; E227-Y229 PolarHBondContact O-N 3.47Å; E227-N231 WeakPolarHBondContact O-CB 3.32Å; E227-N231 PolarHBondContact O-N 2.84Å; E227-M929 HydrophobicContact CB-CE 3.71Å; E227-M929 HydrophobicContact CB-CG 4.44Å; E227-M929 HydrophobicContact CB-SD 3.82Å; E227-M929 HydrophobicContact CG-CE 4.46Å; E227-K1003 WeakPolarHBondContact OE1-CE 3.43Å; E227-K1003 IonicContact OE1-NZ 3.8Å; E227-K1003 PolarHBondContact OE1-NZ 3.41Å
228L75.2Confident73.6Confident1 Ų157.1 Ų57.11%0.00528%0.284CS..Hα-helixtrans-61-42.6-178.8-80.2166.6000113S224 H230 N231 M929 L930 Y979S224-L228 WeakPolarHBondContact O-CG 3.11Å; S224-L228 PolarHBondContact O-N 3.34Å; L228-H230 PolarHBondContact O-N 2.72Å; L228-N231 PolarHBondContact O-N 2.96Å; L228-M929 HydrophobicContact CD1-CB 4.41Å; L228-M929 HydrophobicContact CD2-CB 3.27Å; L228-M929 HydrophobicContact CD2-CG 4.32Å; L228-M929 HydrophobicContact CD2-SD 4.29Å; L228-M929 HydrophobicContact CG-CB 3.67Å; L228-L930 HydrophobicContact CD1-CD2 3.78Å; L228-L930 HydrophobicContact CD2-CD2 3.77Å; L228-L930 HydrophobicContact CD2-CG 3.68Å; L228-L930 HydrophobicContact CG-CD2 4.45Å; L228-Y979 HydrophobicContact CB-CE1 4.2Å
229Y75.1Confident74.1Confident97 Ų9751.9 Ų51.938%0.3827%0.265SS..Hα-helixtrans-65.2-36.9-174.5-179.4-102.2000113.9E227 Y979E227-Y229 PolarHBondContact O-N 3.47Å; Y229-Y979 HydrophobicContact CD2-CD2 4.39Å; Y229-Y979 HydrophobicContact CD2-CE2 4.16Å
230H74.7Confident74.3Confident58 Ų5852.3 Ų52.327%0.26927%0.271SS..Hα-helixtrans-89.4-17.4-178.3-77.7-79.4000114.2L228 L995L228-H230 PolarHBondContact O-N 2.72Å; H230-L995 HydrophobicContact CB-CD2 4.44Å; H230-L995 VanDerWaalsContact CE1-CD1 3.45Å; H230-L995 WeakPolarHBondContact CE1-CD1 3.29Å; H230-L995 WeakPolarHBondContact ND1-CD2 3.37Å; H230-L995 WeakPolarHBondContact NE2-CD1 3.47Å
231N77.9Confident74.7Confident7 Ų753.3 Ų53.34%0.03728%0.284CS..Hα-helixtrans-67.3-43.1178.4-167.5-35.7000112.3E227 L228 K233 G234 K922 A925 R926 M929E227-N231 WeakPolarHBondContact O-CB 3.32Å; E227-N231 PolarHBondContact O-N 2.84Å; L228-N231 PolarHBondContact O-N 2.96Å; N231-K233 VanDerWaalsContact C-N 3.27Å; N231-K233 PolarHBondContact O-N 3.23Å; N231-G234 PolarHBondContact O-N 3.5Å; N231-K922 PolarHBondContact ND2-O 3.39Å; N231-K922 PolarHBondContact OD1-O 3.07Å; N231-A925 WeakPolarHBondContact ND2-CB 3.34Å; N231-R926 PolarHBondContact ND2-N 3.24Å; N231-M929 HydrophobicContact CB-SD 4.24Å; N231-M929 PolarHBondContact ND2-SD 2.98Å; N231-M929 VanDerWaalsContact ND2-SD 3.43Å
232E75.1Confident75.2Confident67 Ų6751.5 Ų51.531%0.31328%0.275SS..Hα-helixtrans-54.8-38.9-176.7-73.9-172.5158.100113.3G234 R926E232-G234 VanDerWaalsContact C-N 3.33Å; E232-G234 PolarHBondContact O-N 3.44Å; E232-R926 HydrophobicContact CG-CG 4.47Å; E232-R926 VanDerWaalsContact CG-NE 3.32Å; E232-R926 IonicContact OE1-CZ 3.68Å; E232-R926 IonicContact OE1-NE 2.66Å; E232-R926 PolarHBondContact OE1-NE 3.42Å; E232-R926 IonicContact OE1-NH2 3.15Å; E232-R926 PolarHBondContact OE1-NH2 3.34Å
233K75.9Confident75.6Confident152 Ų15254.6 Ų54.666%0.66128%0.282SS*.Hα-helixtrans-70.1-23.9177.9-72.4-174176174.90114.6N231N231-K233 VanDerWaalsContact C-N 3.27Å; N231-K233 PolarHBondContact O-N 3.23Å
234G73.4Confident75.9Confident21 Ų2155.9 Ų55.922%0.21630%0.299CS..Hα-helixtrans-83.2-24-176.100000114.3N231 E232 D236N231-G234 PolarHBondContact O-N 3.5Å; E232-G234 VanDerWaalsContact C-N 3.33Å; E232-G234 PolarHBondContact O-N 3.44Å; G234-D236 VanDerWaalsContact C-N 3.34Å; G234-D236 PolarHBondContact O-N 2.67Å
235I78.7Confident76.4Confident14 Ų1459.7 Ų59.77%0.07231%0.312CS..Hα-helixtrans-63-41-179-68.8169.1000111.1A237 L919 K922 R923 R926I235-A237 PolarHBondContact O-N 3.18Å; I235-L919 HydrophobicContact CG2-CD1 4.07Å; I235-L919 WeakPolarHBondContact O-CD1 3.31Å; I235-K922 HydrophobicContact CB-CB 4.47Å; I235-K922 HydrophobicContact CD1-CB 4.47Å; I235-K922 HydrophobicContact CG1-CB 3.47Å; I235-K922 VanDerWaalsContact CG1-CB 3.47Å; I235-R923 HydrophobicContact CD1-CB 4.5Å; I235-R923 HydrophobicContact CD1-CG 3.92Å; I235-R923 HydrophobicContact CG1-CG 4.09Å; I235-R923 HydrophobicContact CG2-CG 3.65Å; I235-R926 HydrophobicContact CD1-CB 4.21Å
236D74.9Confident76.8Confident123 Ų12363.7 Ų63.766%0.65833%0.329SS*.Hα-helixtrans-67.6-36.8-171.4-68-23.4000113.5G234 I238G234-D236 VanDerWaalsContact C-N 3.34Å; G234-D236 PolarHBondContact O-N 2.67Å; D236-I238 PolarHBondContact O-N 3.03Å
237A76.5Confident77.1Confident73 Ų7370.5 Ų70.560%0.60336%0.361SS*.Hα-helixtrans-72.6-29.9-176.300000114.2I235I235-A237 PolarHBondContact O-N 3.18Å
238I78.5Confident77.6Confident40 Ų4073.6 Ų73.621%0.20538%0.378CS..Hα-helixtrans-81.4-30.9-172.5-60.7168.4000111.3D236 D240 T241 L242 A915 A918 L919 K922D236-I238 PolarHBondContact O-N 3.03Å; I238-D240 VanDerWaalsContact C-N 3.29Å; I238-D240 PolarHBondContact O-N 3.44Å; I238-T241 PolarHBondContact O-N 3.36Å; I238-L242 PolarHBondContact O-N 3.05Å; I238-A915 WeakPolarHBondContact CG2-O 3.33Å; I238-A918 HydrophobicContact CD1-CB 4.16Å; I238-A918 HydrophobicContact CG2-CB 3.89Å; I238-L919 HydrophobicContact CB-CB 4.42Å; I238-L919 HydrophobicContact CB-CD1 4.26Å; I238-L919 HydrophobicContact CG2-CB 3.85Å; I238-K922 HydrophobicContact CD1-CG 3.86Å
239S79.4Confident77.9Confident48 Ų4874.2 Ų74.234%0.33638%0.383SS..Hα-helixtrans-57.2-39.2-178.5-175.80000112.9
240D74.5Confident78.3Confident102 Ų10272.8 Ų72.855%0.54539%0.391SS..Hα-helixtrans-71.8-30.5-178.6-84.3-37.2000114.1I238 R243I238-D240 VanDerWaalsContact C-N 3.29Å; I238-D240 PolarHBondContact O-N 3.44Å; D240-R243 IonicContact OD1-CZ 3.55Å; D240-R243 IonicContact OD1-NH2 2.78Å; D240-R243 PolarHBondContact OD1-NH2 3.26Å
241T78.2Confident78.6Confident78 Ų7874.8 Ų74.848%0.47940%0.4SS..Hα-helixtrans-74.1-30.7-178.6-59.50000112.2I238I238-T241 PolarHBondContact O-N 3.36Å
242L81.7Confident78.8Confident17 Ų1776.3 Ų76.39%0.08941%0.408CS..Hα-helixtrans-66.3-38.8-176.1173.258.9000113.4I238 G244 R245 K246 V912 A915 E916 L919I238-L242 PolarHBondContact O-N 3.05Å; L242-G244 PolarHBondContact O-N 3.37Å; L242-R245 PolarHBondContact O-N 2.97Å; L242-K246 HydrophobicContact CD1-CG 4.46Å; L242-V912 HydrophobicContact CD1-CG1 4.13Å; L242-V912 WeakPolarHBondContact CD1-O 3.49Å; L242-A915 HydrophobicContact CB-CB 4.09Å; L242-A915 HydrophobicContact CD1-CB 3.81Å; L242-E916 HydrophobicContact CD1-CB 4.2Å; L242-E916 HydrophobicContact CD1-CG 3.55Å; L242-E916 HydrophobicContact CD2-CB 4.34Å; L242-E916 HydrophobicContact CD2-CG 3.45Å; L242-E916 VanDerWaalsContact CD2-CG 3.45Å; L242-E916 HydrophobicContact CG-CG 4.07Å; L242-L919 HydrophobicContact CD2-CD2 4.28Å
243R80.5Confident79.2Confident163 Ų16377.1 Ų77.162%0.61541%0.414SS*.Hα-helixtrans-57.5-44.1-174.5-178.7171.751.8-137-16.7112.9D240 R245D240-R243 IonicContact OD1-CZ 3.55Å; D240-R243 IonicContact OD1-NH2 2.78Å; D240-R243 PolarHBondContact OD1-NH2 3.26Å; R243-R245 PolarHBondContact O-N 3.41Å
244G77.2Confident79.6Confident44 Ų4478.5 Ų78.545%0.45442%0.415SS..Hα-helixtrans-71.1-24.6-177.900000115.1L242L242-G244 PolarHBondContact O-N 3.37Å
245R80.3Confident80Confident90 Ų9082.4 Ų82.434%0.3443%0.428SS..Hα-helixtrans-81-27.9-177.6-67.6-173.6173.1173.81.7113.3L242 R243 E247 E911 V912L242-R245 PolarHBondContact O-N 2.97Å; R243-R245 PolarHBondContact O-N 3.41Å; R245-E247 PolarHBondContact O-N 3.34Å; R245-E911 PolarHBondContact NH1-O 2.91Å; R245-V912 HydrophobicContact CB-CG2 3.56Å; R245-V912 VanDerWaalsContact O-CG2 3.22Å; R245-V912 WeakPolarHBondContact O-CG2 2.98Å
246K80.1Confident80.3Confident97 Ų9782.3 Ų82.342%0.42243%0.428SS..Hα-helixtrans-64-37.7-178.9-76.3-174.6176.6-170.20113.3L242 I248 A249 V912 E916L242-K246 HydrophobicContact CD1-CG 4.46Å; K246-I248 PolarHBondContact O-N 2.96Å; K246-A249 PolarHBondContact O-N 3.29Å; K246-V912 HydrophobicContact CG-CG1 3.66Å; K246-V912 HydrophobicContact CG-CG2 4.45Å; K246-E916 WeakPolarHBondContact CE-OE1 3.32Å; K246-E916 IonicContact NZ-OE1 3.05Å; K246-E916 PolarHBondContact NZ-OE1 3.17Å
247E80.2Confident80.7Confident149 Ų14977.9 Ų77.970%0.69641%0.411SS*.Hα-helixtrans-66-39-177-67.5177.7171.900112.3R245 A250R245-E247 PolarHBondContact O-N 3.34Å; E247-A250 PolarHBondContact O-N 2.96Å
248I81.8Confident81.1Confident105 Ų10577.4 Ų77.454%0.53841%0.407SS..Hα-helixtrans-71.8-33.7-178.5-54.7174.7000111.5K246 A250 L908K246-I248 PolarHBondContact O-N 2.96Å; I248-A250 VanDerWaalsContact C-N 3.3Å; I248-A250 PolarHBondContact O-N 3.21Å; I248-L908 HydrophobicContact CB-CD2 3.86Å; I248-L908 HydrophobicContact CG2-CD1 4.28Å; I248-L908 HydrophobicContact CG2-CD2 3.47Å; I248-L908 VanDerWaalsContact CG2-CD2 3.47Å
249A81.8Confident81.3Confident13 Ų1376.7 Ų76.711%0.10741%0.407CS..Hα-helixtrans-68.6-26.9178.900000113.2K246 N253 L905 L908 V912K246-A249 PolarHBondContact O-N 3.29Å; A249-N253 PolarHBondContact O-N 3.45Å; A249-L905 WeakPolarHBondContact O-CD1 3.49Å; A249-L908 HydrophobicContact CB-CB 4.32Å; A249-V912 HydrophobicContact CB-CG2 4.24Å
250A82.1Confident81.5Confident67 Ų6779.4 Ų79.455%0.55441%0.414SS*.Hα-helixtrans-69.7-42-178.600000113E247 I248 N253E247-A250 PolarHBondContact O-N 2.96Å; I248-A250 VanDerWaalsContact C-N 3.3Å; I248-A250 PolarHBondContact O-N 3.21Å; A250-N253 PolarHBondContact O-N 3.2Å
251E82.4Confident82Confident100 Ų10081.6 Ų81.647%0.46742%0.422SS..Hα-helixtrans-66.5-42.8-179.6-17259.1-151.800111.7N253 R254E251-N253 VanDerWaalsContact C-N 3.27Å; E251-N253 PolarHBondContact O-N 3.24Å; E251-R254 WeakPolarHBondContact O-CB 3.37Å; E251-R254 PolarHBondContact O-N 2.95Å; E251-R254 IonicContact OE1-CZ 3.42Å; E251-R254 IonicContact OE1-NE 3.61Å; E251-R254 PolarHBondContact OE1-NE 3.48Å; E251-R254 IonicContact OE1-NH2 2.97Å; E251-R254 PolarHBondContact OE1-NH2 3.04Å
252M82.2Confident82.3Confident39 Ų3979.6 Ų79.619%0.19241%0.411CS..Hα-helixtrans-65.2-28.7179.7-169.767.773.700112.8R254 E255 L256 E904 L905 L908M252-R254 VanDerWaalsContact C-N 3.32Å; M252-R254 PolarHBondContact O-N 2.93Å; M252-E255 PolarHBondContact O-N 2.92Å; M252-L256 PolarHBondContact O-N 2.95Å; M252-E904 HydrophobicContact CE-CB 4.31Å; M252-E904 HydrophobicContact SD-CB 4.45Å; M252-L905 HydrophobicContact CB-CD1 3.87Å; M252-L905 HydrophobicContact CG-CB 3.88Å; M252-L905 HydrophobicContact CG-CD1 4.04Å; M252-L908 HydrophobicContact CE-CD1 4.4Å
253N82.6Confident82.5Confident85 Ų8579.7 Ų79.746%0.45541%0.412SS..Hα-helixtrans-69.2-31.5177.7-163.625000112A249 A250 E251 L256 G257 L905A249-N253 PolarHBondContact O-N 3.45Å; A250-N253 PolarHBondContact O-N 3.2Å; E251-N253 VanDerWaalsContact C-N 3.27Å; E251-N253 PolarHBondContact O-N 3.24Å; N253-L256 PolarHBondContact O-N 3.33Å; N253-G257 PolarHBondContact O-N 3.42Å; N253-L905 HydrophobicContact CB-CD1 3.94Å; N253-L905 HydrophobicContact CB-CD2 4.08Å; N253-L905 WeakPolarHBondContact OD1-CD2 3.48Å
254R83.9Confident82.8Confident180 Ų18079.8 Ų79.868%0.67942%0.417SS*.Hα-helixtrans-67.7-38.5177.1-166.9175.668.2128.9-0.9111.8E251 M252E251-R254 WeakPolarHBondContact O-CB 3.37Å; E251-R254 PolarHBondContact O-N 2.95Å; E251-R254 IonicContact OE1-CZ 3.42Å; E251-R254 IonicContact OE1-NE 3.61Å; E251-R254 PolarHBondContact OE1-NE 3.48Å; E251-R254 IonicContact OE1-NH2 2.97Å; E251-R254 PolarHBondContact OE1-NH2 3.04Å; M252-R254 VanDerWaalsContact C-N 3.32Å; M252-R254 PolarHBondContact O-N 2.93Å
255E82.9Confident83.3Confident104 Ų10480.7 Ų80.749%0.48642%0.42SS..Hα-helixtrans-68.4-36.4176.7-63.2-171.1164.500112.6M252 A258 A259M252-E255 PolarHBondContact O-N 2.92Å; E255-A258 PolarHBondContact O-N 3.45Å; E255-A259 PolarHBondContact O-N 3.11Å
256L84.8Confident83.6Confident12 Ų1278.7 Ų78.76%0.06341%0.414CS..Hα-helixtrans-61.2-44.7175.8-175.168.1000111.8M252 N253 A258 A259 E260 L898 T901 N902 L905M252-L256 PolarHBondContact O-N 2.95Å; N253-L256 PolarHBondContact O-N 3.33Å; L256-A258 VanDerWaalsContact C-N 3.3Å; L256-A258 PolarHBondContact O-N 3.12Å; L256-A259 PolarHBondContact O-N 3.16Å; L256-A259 VanDerWaalsContact O-N 3.1Å; L256-E260 WeakPolarHBondContact O-CG 3.07Å; L256-E260 PolarHBondContact O-N 2.94Å; L256-L898 HydrophobicContact CD1-CD1 3.49Å; L256-L898 VanDerWaalsContact CD1-CD1 3.49Å; L256-L898 HydrophobicContact CD1-CG 4.39Å; L256-L898 HydrophobicContact CG-CD1 4.38Å; L256-T901 WeakPolarHBondContact CD1-OG1 3.17Å; L256-N902 HydrophobicContact CD1-CB 3.7Å; L256-N902 HydrophobicContact CD2-CB 4.47Å; L256-L905 HydrophobicContact CB-CD2 4.29Å; L256-L905 HydrophobicContact CD2-CD2 3.46Å; L256-L905 VanDerWaalsContact CD2-CD2 3.46Å; L256-L905 HydrophobicContact CG-CD2 4.48Å
257G83.5Confident83.9Confident29 Ų2981 Ų8130%0.29942%0.424SS..Hα-helixtrans-59.5-36.8179.600000113.8N253 Q261N253-G257 PolarHBondContact O-N 3.42Å; G257-Q261 WeakPolarHBondContact O-CG 3.42Å; G257-Q261 PolarHBondContact O-N 3.12Å
258A84.1Confident84.2Confident64 Ų6482.1 Ų82.153%0.52943%0.427SS..Hα-helixtrans-68-38.4175.500000112.2E255 L256 S262E255-A258 PolarHBondContact O-N 3.45Å; L256-A258 VanDerWaalsContact C-N 3.3Å; L256-A258 PolarHBondContact O-N 3.12Å; A258-S262 PolarHBondContact O-N 3.28Å
259A83.1Confident84.5Confident25 Ų2580.4 Ų80.421%0.20742%0.417CS..Hα-helixtrans-68.9-37177.400000112.7E255 L256 S262 V263 L898E255-A259 PolarHBondContact O-N 3.11Å; L256-A259 PolarHBondContact O-N 3.16Å; L256-A259 VanDerWaalsContact O-N 3.1Å; A259-S262 PolarHBondContact O-N 2.65Å; A259-V263 WeakPolarHBondContact O-CG2 3.18Å; A259-V263 PolarHBondContact O-N 3.31Å; A259-V263 VanDerWaalsContact O-N 3.12Å; A259-L898 HydrophobicContact CB-CB 4.45Å; A259-L898 HydrophobicContact CB-CD1 3.65Å
260E82.9Confident84.9Confident104 Ų10481.9 Ų81.949%0.48642%0.421SS..Hα-helixtrans-64.4-41.8178.2-72.5-171.915900112.4L256 S262 V263 K264 L898L256-E260 WeakPolarHBondContact O-CG 3.07Å; L256-E260 PolarHBondContact O-N 2.94Å; E260-S262 VanDerWaalsContact C-N 3.3Å; E260-S262 PolarHBondContact O-N 3.02Å; E260-V263 PolarHBondContact O-N 3.42Å; E260-K264 WeakPolarHBondContact O-CB 3.37Å; E260-K264 PolarHBondContact O-N 3.3Å; E260-L898 HydrophobicContact CB-CD1 4.28Å; E260-L898 HydrophobicContact CG-CD1 3.41Å; E260-L898 VanDerWaalsContact CG-CD1 3.41Å; E260-L898 HydrophobicContact CG-CD2 4.15Å; E260-L898 HydrophobicContact CG-CG 4.4Å
261Q84.9Confident85.1Confident149 Ų14979.9 Ų79.970%0.69641%0.407SS*.Hα-helixtrans-61.7-39.9176.6-69.4179.810.200111.6G257 K264 A265G257-Q261 WeakPolarHBondContact O-CG 3.42Å; G257-Q261 PolarHBondContact O-N 3.12Å; Q261-K264 PolarHBondContact O-N 2.97Å; Q261-A265 PolarHBondContact O-N 3.43Å; Q261-A265 VanDerWaalsContact O-N 3.1Å
262S85.8Confident85.5Confident36 Ų3680.5 Ų80.525%0.25241%0.405SS..Hα-helixtrans-63.4-44.1175.8-175.80000112.2A258 A259 E260 K264 A265 H266A258-S262 PolarHBondContact O-N 3.28Å; A259-S262 PolarHBondContact O-N 2.65Å; E260-S262 VanDerWaalsContact C-N 3.3Å; E260-S262 PolarHBondContact O-N 3.02Å; S262-K264 VanDerWaalsContact C-N 3.35Å; S262-K264 PolarHBondContact O-N 3.29Å; S262-A265 PolarHBondContact O-N 3.33Å; S262-H266 PolarHBondContact O-CD2 3.1Å; S262-H266 VanDerWaalsContact O-CD2 3.26Å; S262-H266 PolarHBondContact O-N 3.01Å
263V86.1Confident85.8Confident19 Ų1979 Ų7912%0.11540%0.397CS..Hα-helixtrans-64.1-40.1176.8173.30000111.3A259 E260 A265 H266 K267 L891 K894 L898A259-V263 WeakPolarHBondContact O-CG2 3.18Å; A259-V263 PolarHBondContact O-N 3.31Å; A259-V263 VanDerWaalsContact O-N 3.12Å; E260-V263 PolarHBondContact O-N 3.42Å; V263-A265 VanDerWaalsContact C-N 3.35Å; V263-A265 PolarHBondContact O-N 3.29Å; V263-H266 PolarHBondContact O-N 3.45Å; V263-K267 VanDerWaalsContact O-CB 3.27Å; V263-K267 WeakPolarHBondContact O-CB 3.19Å; V263-K267 PolarHBondContact O-N 3.37Å; V263-L891 HydrophobicContact CG1-CD1 4.06Å; V263-K894 HydrophobicContact CG2-CB 4.04Å; V263-L898 HydrophobicContact CB-CD2 4.39Å; V263-L898 HydrophobicContact CG2-CB 4.12Å; V263-L898 HydrophobicContact CG2-CD2 3.95Å
264K85.9Confident86Confident165 Ų16576.9 Ų76.972%0.71739%0.388SS*.Hα-helixtrans-63-39.9178.2-167.1175.8-1781780112.1E260 Q261 S262 K268E260-K264 WeakPolarHBondContact O-CB 3.37Å; E260-K264 PolarHBondContact O-N 3.3Å; Q261-K264 PolarHBondContact O-N 2.97Å; S262-K264 VanDerWaalsContact C-N 3.35Å; S262-K264 PolarHBondContact O-N 3.29Å; K264-K268 PolarHBondContact O-N 2.76Å; K264-K268 VanDerWaalsContact O-N 3.11Å
265A87.3Confident86.2Confident62 Ų6277.1 Ų77.151%0.51239%0.389SS..Hα-helixtrans-62.5-50.7175.700000112Q261 S262 V263 K267 K268 E269Q261-A265 PolarHBondContact O-N 3.43Å; Q261-A265 VanDerWaalsContact O-N 3.1Å; S262-A265 PolarHBondContact O-N 3.33Å; V263-A265 VanDerWaalsContact C-N 3.35Å; V263-A265 PolarHBondContact O-N 3.29Å; A265-K267 VanDerWaalsContact C-N 3.35Å; A265-K267 PolarHBondContact O-N 3.4Å; A265-K268 WeakPolarHBondContact O-CB 3.44Å; A265-K268 PolarHBondContact O-N 3.02Å; A265-E269 PolarHBondContact O-N 3.21Å; A265-E269 VanDerWaalsContact O-N 3.15Å
266H87.2Confident86.5Confident48 Ų4874.8 Ų74.822%0.22238%0.378CS..Hα-helixtrans-67.8-31.3178.9-72.2-69.5000113.3S262 V263 E269 H270 E890 L891S262-H266 PolarHBondContact O-CD2 3.1Å; S262-H266 VanDerWaalsContact O-CD2 3.26Å; S262-H266 PolarHBondContact O-N 3.01Å; V263-H266 PolarHBondContact O-N 3.45Å; H266-E269 PolarHBondContact O-N 3.05Å; H266-H270 WeakPolarHBondContact O-CB 3.31Å; H266-H270 PolarHBondContact O-N 3.03Å; H266-E890 IonicContact CE1-OE2 3.67Å; H266-E890 IonicContact ND1-OE2 3.97Å; H266-L891 HydrophobicContact CB-CB 4.41Å; H266-L891 HydrophobicContact CB-CD1 3.9Å
267K85.9Confident86.7Confident146 Ų14674.9 Ų74.964%0.63538%0.379SS*.Hα-helixtrans-67.2-37.3174.5-169.8174.9-177.7177.80112.1V263 A265 G271 L891V263-K267 VanDerWaalsContact O-CB 3.27Å; V263-K267 WeakPolarHBondContact O-CB 3.19Å; V263-K267 PolarHBondContact O-N 3.37Å; A265-K267 VanDerWaalsContact C-N 3.35Å; A265-K267 PolarHBondContact O-N 3.4Å; K267-G271 PolarHBondContact O-N 3.02Å; K267-L891 HydrophobicContact CB-CD1 4.15Å; K267-L891 HydrophobicContact CB-CD2 4.47Å
268K87.6Confident86.8Confident173 Ų17379.1 Ų79.175%0.75239%0.391SS*.Hα-helixtrans-64.5-43.6174.2-171.9-179.7177.8-175.10110.9K264 A265 G271 R272K264-K268 PolarHBondContact O-N 2.76Å; K264-K268 VanDerWaalsContact O-N 3.11Å; A265-K268 WeakPolarHBondContact O-CB 3.44Å; A265-K268 PolarHBondContact O-N 3.02Å; K268-G271 PolarHBondContact O-N 3.3Å; K268-R272 PolarHBondContact O-N 2.92Å
269E87.6Confident87.1Confident69 Ų6981.4 Ų81.432%0.32239%0.39SS..Hα-helixtrans-68.2-43.8179.7-172.360.2-171.900112.7A265 H266 G271 R272 L273 V887A265-E269 PolarHBondContact O-N 3.21Å; A265-E269 VanDerWaalsContact O-N 3.15Å; H266-E269 PolarHBondContact O-N 3.05Å; E269-G271 VanDerWaalsContact C-N 3.28Å; E269-G271 PolarHBondContact O-N 2.91Å; E269-R272 WeakPolarHBondContact O-CB 3.42Å; E269-R272 PolarHBondContact O-N 2.82Å; E269-R272 IonicContact OE1-CZ 3.92Å; E269-R272 IonicContact OE1-NE 3.24Å; E269-R272 PolarHBondContact OE1-NE 3Å; E269-R272 IonicContact OE1-NH2 3.88Å; E269-R272 PolarHBondContact OE1-NH2 3.17Å; E269-R272 IonicContact OE2-CZ 3.91Å; E269-R272 IonicContact OE2-NE 2.92Å; E269-R272 PolarHBondContact OE2-NE 3.24Å; E269-R272 IonicContact OE2-NH2 3.87Å; E269-L273 HydrophobicContact CG-CD1 4.49Å; E269-L273 PolarHBondContact O-N 3.44Å; E269-V887 HydrophobicContact CB-CG1 4.49Å; E269-V887 HydrophobicContact CG-CG1 4.4Å
270H89.8Confident87.3Confident44 Ų4481.4 Ų81.420%0.20439%0.386CS..Hα-helixtrans-56.5-43.5170.8176.6-83.5000111.6H266 T274 V887 L891H266-H270 WeakPolarHBondContact O-CB 3.31Å; H266-H270 PolarHBondContact O-N 3.03Å; H270-T274 PolarHBondContact CE1-OG1 3.38Å; H270-T274 WeakPolarHBondContact O-CB 3.31Å; H270-T274 PolarHBondContact O-N 3.36Å; H270-T274 PolarHBondContact O-OG1 2.93Å; H270-V887 HydrophobicContact CB-CG1 4.06Å; H270-L891 HydrophobicContact CB-CD2 4.26Å
271G85.8Confident87.3Confident24 Ų2478.9 Ų78.925%0.24738%0.376CS..Hα-helixtrans-63.5-38.3177.100000113.5K267 K268 E269 R275K267-G271 PolarHBondContact O-N 3.02Å; K268-G271 PolarHBondContact O-N 3.3Å; E269-G271 VanDerWaalsContact C-N 3.28Å; E269-G271 PolarHBondContact O-N 2.91Å; G271-R275 WeakPolarHBondContact O-CG 3.44Å; G271-R275 PolarHBondContact O-N 3.31Å
272R92.1Very high87.5Confident114 Ų11479.3 Ų79.343%0.4338%0.376SS..Hα-helixtrans-63.3-54.6175.5-173.8-17772.896-9.5111.2K268 E269 T274 R275 E276K268-R272 PolarHBondContact O-N 2.92Å; E269-R272 WeakPolarHBondContact O-CB 3.42Å; E269-R272 PolarHBondContact O-N 2.82Å; E269-R272 IonicContact OE1-CZ 3.92Å; E269-R272 IonicContact OE1-NE 3.24Å; E269-R272 PolarHBondContact OE1-NE 3Å; E269-R272 IonicContact OE1-NH2 3.88Å; E269-R272 PolarHBondContact OE1-NH2 3.17Å; E269-R272 IonicContact OE2-CZ 3.91Å; E269-R272 IonicContact OE2-NE 2.92Å; E269-R272 PolarHBondContact OE2-NE 3.24Å; E269-R272 IonicContact OE2-NH2 3.87Å; R272-T274 VanDerWaalsContact C-N 3.3Å; R272-T274 PolarHBondContact O-N 3.46Å; R272-R275 WeakPolarHBondContact O-CB 3.36Å; R272-R275 PolarHBondContact O-N 2.72Å; R272-R275 VanDerWaalsContact O-N 3.11Å; R272-E276 IonicContact CZ-OE1 3.58Å; R272-E276 IonicContact NH1-OE1 3.72Å; R272-E276 PolarHBondContact NH1-OE1 2.93Å; R272-E276 PolarHBondContact O-N 2.95Å; R272-E276 VanDerWaalsContact O-N 3.08Å
273L88.8Confident87.6Confident6 Ų681.8 Ų81.83%0.03138%0.383CS..Hα-helixtrans-63.5-34.7-179.3-67.3172.5000112.5E269 R275 E276 V277 Q883 V884 V887E269-L273 HydrophobicContact CG-CD1 4.49Å; E269-L273 PolarHBondContact O-N 3.44Å; L273-R275 VanDerWaalsContact C-N 3.34Å; L273-R275 PolarHBondContact O-N 3.33Å; L273-E276 PolarHBondContact O-N 3.18Å; L273-V277 WeakPolarHBondContact O-CG2 3.33Å; L273-V277 PolarHBondContact O-N 2.99Å; L273-Q883 HydrophobicContact CD1-CB 4.44Å; L273-V884 HydrophobicContact CB-CG2 3.59Å; L273-V887 HydrophobicContact CD1-CB 4.46Å; L273-V887 HydrophobicContact CD1-CG2 3.88Å
274T85.7Confident87.7Confident42 Ų4281.3 Ų81.326%0.25838%0.38SS..Hα-helixtrans-64.4-38175.1-56.70000111.8H270 R272 V277 Q278H270-T274 PolarHBondContact CE1-OG1 3.38Å; H270-T274 WeakPolarHBondContact O-CB 3.31Å; H270-T274 PolarHBondContact O-N 3.36Å; H270-T274 PolarHBondContact O-OG1 2.93Å; R272-T274 VanDerWaalsContact C-N 3.3Å; R272-T274 PolarHBondContact O-N 3.46Å; T274-V277 PolarHBondContact O-N 3Å; T274-Q278 WeakPolarHBondContact O-CG 3.33Å; T274-Q278 PolarHBondContact O-N 3.19Å
275R89.4Confident87.7Confident185 Ų18581.6 Ų81.670%0.69838%0.377SS*.Hα-helixtrans-69.4-38.2175.7-70.6171.3-171.71651.4111.9G271 R272 L273 Q278 H279G271-R275 WeakPolarHBondContact O-CG 3.44Å; G271-R275 PolarHBondContact O-N 3.31Å; R272-R275 WeakPolarHBondContact O-CB 3.36Å; R272-R275 PolarHBondContact O-N 2.72Å; R272-R275 VanDerWaalsContact O-N 3.11Å; L273-R275 VanDerWaalsContact C-N 3.34Å; L273-R275 PolarHBondContact O-N 3.33Å; R275-Q278 PolarHBondContact O-N 2.88Å; R275-H279 WeakPolarHBondContact O-CB 3.16Å; R275-H279 PolarHBondContact O-N 3.4Å
276E88.9Confident87.7Confident54 Ų5480.1 Ų80.125%0.25237%0.367SS..Hα-helixtrans-60.9-44173.6-70.9174.7-159.700111.4R272 L273 Q278 H279 M280 K880R272-E276 IonicContact CZ-OE1 3.58Å; R272-E276 IonicContact NH1-OE1 3.72Å; R272-E276 PolarHBondContact NH1-OE1 2.93Å; R272-E276 PolarHBondContact O-N 2.95Å; R272-E276 VanDerWaalsContact O-N 3.08Å; L273-E276 PolarHBondContact O-N 3.18Å; E276-Q278 PolarHBondContact O-N 3.15Å; E276-H279 WeakPolarHBondContact O-CB 3.46Å; E276-H279 PolarHBondContact O-N 3.41Å; E276-M280 PolarHBondContact O-N 2.85Å; E276-K880 IonicContact OE2-NZ 2.65Å; E276-K880 PolarHBondContact OE2-NZ 2.83Å
277V89.2Confident87.7Confident15 Ų1580.6 Ų80.69%0.09137%0.37CS..Hα-helixtrans-60.7-43.9174169.70000111.5L273 T274 H279 M280 D281 L877 K880 K881 V884L273-V277 WeakPolarHBondContact O-CG2 3.33Å; L273-V277 PolarHBondContact O-N 2.99Å; T274-V277 PolarHBondContact O-N 3Å; V277-H279 VanDerWaalsContact C-N 3.32Å; V277-H279 PolarHBondContact O-N 3.01Å; V277-M280 PolarHBondContact O-N 2.85Å; V277-D281 WeakPolarHBondContact O-CB 3.35Å; V277-D281 PolarHBondContact O-N 2.94Å; V277-L877 HydrophobicContact CG1-CD1 3.93Å; V277-K880 HydrophobicContact CG2-CB 3.91Å; V277-K881 HydrophobicContact CG1-CG 4.04Å; V277-K881 HydrophobicContact CG2-CG 4.31Å; V277-V884 HydrophobicContact CG2-CG2 3.93Å
278Q85Confident87.7Confident118 Ų11877.2 Ų77.255%0.55136%0.356SS*.Hα-helixtrans-65.7-33.2176.9-73.3177.5-3.800113.2T274 R275 E276 K282T274-Q278 WeakPolarHBondContact O-CG 3.33Å; T274-Q278 PolarHBondContact O-N 3.19Å; R275-Q278 PolarHBondContact O-N 2.88Å; E276-Q278 PolarHBondContact O-N 3.15Å; Q278-K282 WeakPolarHBondContact O-CG 3.33Å; Q278-K282 PolarHBondContact O-N 3.49Å
279H89.3Confident87.6Confident112 Ų11275.8 Ų75.852%0.51935%0.352SS..Hα-helixtrans-67-50.7175.2-170.9-86.4000110.9R275 E276 V277 D281 K282 E283R275-H279 WeakPolarHBondContact O-CB 3.16Å; R275-H279 PolarHBondContact O-N 3.4Å; E276-H279 WeakPolarHBondContact O-CB 3.46Å; E276-H279 PolarHBondContact O-N 3.41Å; V277-H279 VanDerWaalsContact C-N 3.32Å; V277-H279 PolarHBondContact O-N 3.01Å; H279-D281 VanDerWaalsContact C-N 3.35Å; H279-D281 PolarHBondContact O-N 3.34Å; H279-K282 WeakPolarHBondContact O-CA 3.37Å; H279-K282 WeakPolarHBondContact O-CB 3.22Å; H279-K282 PolarHBondContact O-N 3.48Å; H279-E283 IonicContact CE1-OE1 2.69Å; H279-E283 PolarHBondContact CE1-OE1 3.28Å; H279-E283 IonicContact CE1-OE2 3.41Å; H279-E283 VanDerWaalsContact ND1-CD 3.28Å; H279-E283 IonicContact ND1-OE1 3.66Å; H279-E283 IonicContact ND1-OE2 3.32Å; H279-E283 PolarHBondContact ND1-OE2 3.43Å; H279-E283 PolarHBondContact O-N 2.93Å
280M87.8Confident87.6Confident25 Ų2575.6 Ų75.612%0.12336%0.356CS..Hα-helixtrans-63.2-38.5177.3-69.5-170.5-63.200112.5E276 V277 K282 E283 I284 E876 L877 K880E276-M280 PolarHBondContact O-N 2.85Å; V277-M280 PolarHBondContact O-N 2.85Å; M280-K282 PolarHBondContact O-N 3.02Å; M280-E283 PolarHBondContact O-N 3.44Å; M280-I284 WeakPolarHBondContact O-CB 3.18Å; M280-I284 VanDerWaalsContact O-CG1 3.29Å; M280-I284 WeakPolarHBondContact O-CG1 3.38Å; M280-I284 PolarHBondContact O-N 3.48Å; M280-E876 HydrophobicContact SD-CB 4.36Å; M280-L877 HydrophobicContact CB-CD1 4.04Å; M280-L877 HydrophobicContact CE-CD1 4.11Å; M280-K880 HydrophobicContact CE-CB 3.44Å; M280-K880 VanDerWaalsContact CE-CB 3.44Å; M280-K880 HydrophobicContact CE-CD 4.38Å; M280-K880 HydrophobicContact CE-CG 3.43Å; M280-K880 VanDerWaalsContact CE-CG 3.43Å; M280-K880 HydrophobicContact SD-CG 4.42Å
281D83.7Confident87.5Confident51 Ų5174.2 Ų74.227%0.27335%0.349SS..Hα-helixtrans-61-31.5173.4-89.7-40.2000111.7V277 H279 R285 L877 K881V277-D281 WeakPolarHBondContact O-CB 3.35Å; V277-D281 PolarHBondContact O-N 2.94Å; H279-D281 VanDerWaalsContact C-N 3.35Å; H279-D281 PolarHBondContact O-N 3.34Å; D281-R285 VanDerWaalsContact O-CG 3.28Å; D281-R285 WeakPolarHBondContact O-CG 3.46Å; D281-R285 PolarHBondContact O-N 3.3Å; D281-L877 VanDerWaalsContact OD1-CD2 3.24Å; D281-L877 WeakPolarHBondContact OD1-CD2 3.33Å; D281-K881 IonicContact OD1-NZ 3.73Å; D281-K881 IonicContact OD2-NZ 2.74Å
282K87.8Confident87.5Confident158 Ų15877.8 Ų77.869%0.68737%0.366SS*.Hα-helixtrans-74.6-42.1173.3-74.7178-178.1-178.20112.1Q278 H279 M280 R285 G286Q278-K282 WeakPolarHBondContact O-CG 3.33Å; Q278-K282 PolarHBondContact O-N 3.49Å; H279-K282 WeakPolarHBondContact O-CA 3.37Å; H279-K282 WeakPolarHBondContact O-CB 3.22Å; H279-K282 PolarHBondContact O-N 3.48Å; M280-K282 PolarHBondContact O-N 3.02Å; K282-R285 PolarHBondContact O-N 3.48Å; K282-G286 PolarHBondContact O-N 3.36Å
283E88.4Confident87.2Confident88 Ų8878 Ų7841%0.41137%0.373SS..Hα-helixtrans-63.6-41.8177.2-72.3176.2136.500111.7H279 M280 R285 G286 Q287H279-E283 IonicContact CE1-OE1 2.69Å; H279-E283 PolarHBondContact CE1-OE1 3.28Å; H279-E283 IonicContact CE1-OE2 3.41Å; H279-E283 VanDerWaalsContact ND1-CD 3.28Å; H279-E283 IonicContact ND1-OE1 3.66Å; H279-E283 IonicContact ND1-OE2 3.32Å; H279-E283 PolarHBondContact ND1-OE2 3.43Å; H279-E283 PolarHBondContact O-N 2.93Å; M280-E283 PolarHBondContact O-N 3.44Å; E283-R285 VanDerWaalsContact C-N 3.35Å; E283-R285 PolarHBondContact O-N 3.01Å; E283-G286 WeakPolarHBondContact O-CA 3.32Å; E283-G286 PolarHBondContact O-N 3.05Å; E283-G286 VanDerWaalsContact O-N 3.12Å; E283-Q287 WeakPolarHBondContact O-CG 3.32Å; E283-Q287 PolarHBondContact O-N 3Å
284I89.5Confident87Confident9 Ų978.3 Ų78.35%0.04638%0.375CS..Hα-helixtrans-59.6-45.4174.2-71.6164.2000110.5M280 G286 Q287 E288 M873 K874 L877M280-I284 WeakPolarHBondContact O-CB 3.18Å; M280-I284 VanDerWaalsContact O-CG1 3.29Å; M280-I284 WeakPolarHBondContact O-CG1 3.38Å; M280-I284 PolarHBondContact O-N 3.48Å; I284-G286 VanDerWaalsContact C-N 3.29Å; I284-G286 PolarHBondContact O-N 3.19Å; I284-Q287 PolarHBondContact O-N 3.07Å; I284-E288 HydrophobicContact CG2-CG 4.29Å; I284-E288 WeakPolarHBondContact O-CG 3.5Å; I284-E288 PolarHBondContact O-N 3.04Å; I284-M873 HydrophobicContact CD1-CB 4.27Å; I284-M873 HydrophobicContact CG1-CB 3.83Å; I284-K874 HydrophobicContact CD1-CG 4.22Å; I284-K874 HydrophobicContact CG2-CG 4.45Å; I284-L877 HydrophobicContact CD1-CB 3.98Å; I284-L877 HydrophobicContact CD1-CD2 3.69Å; I284-L877 HydrophobicContact CD1-CG 4.3Å
285R84.9Confident87.1Confident171 Ų17181.5 Ų81.565%0.64538%0.382SS*.Hα-helixtrans-61.6-38.1175.7-72.9173.9-169.9-137.32.4112.4D281 K282 E283 E288 Q289D281-R285 VanDerWaalsContact O-CG 3.28Å; D281-R285 WeakPolarHBondContact O-CG 3.46Å; D281-R285 PolarHBondContact O-N 3.3Å; K282-R285 PolarHBondContact O-N 3.48Å; E283-R285 VanDerWaalsContact C-N 3.35Å; E283-R285 PolarHBondContact O-N 3.01Å; R285-E288 PolarHBondContact O-N 3.33Å; R285-Q289 WeakPolarHBondContact O-CG 3.49Å; R285-Q289 PolarHBondContact O-N 2.78Å; R285-Q289 VanDerWaalsContact O-N 3.09Å
286G87.4Confident86.9Confident30 Ų3075.4 Ų75.431%0.30937%0.368SS..Hα-helixtrans-61-47.8173.500000111.8K282 E283 I284 Q289 V290K282-G286 PolarHBondContact O-N 3.36Å; E283-G286 WeakPolarHBondContact O-CA 3.32Å; E283-G286 PolarHBondContact O-N 3.05Å; E283-G286 VanDerWaalsContact O-N 3.12Å; I284-G286 VanDerWaalsContact C-N 3.29Å; I284-G286 PolarHBondContact O-N 3.19Å; G286-Q289 WeakPolarHBondContact O-CB 3.48Å; G286-Q289 PolarHBondContact O-N 2.64Å; G286-V290 WeakPolarHBondContact O-CG2 3.49Å; G286-V290 PolarHBondContact O-N 2.84Å
287Q88Confident86.8Confident59 Ų5977.3 Ų77.328%0.27638%0.377SS..Hα-helixtrans-68.2-33.1177.5-65.9-65.3-18.500112.8E283 I284 Q289 V290 L291 L870 M873E283-Q287 WeakPolarHBondContact O-CG 3.32Å; E283-Q287 PolarHBondContact O-N 3Å; I284-Q287 PolarHBondContact O-N 3.07Å; Q287-Q289 VanDerWaalsContact C-N 3.33Å; Q287-Q289 PolarHBondContact O-N 3.41Å; Q287-V290 PolarHBondContact O-N 3.38Å; Q287-L291 WeakPolarHBondContact O-CB 3.24Å; Q287-L291 PolarHBondContact O-N 3.48Å; Q287-L870 HydrophobicContact CB-CD1 3.63Å; Q287-M873 HydrophobicContact CG-SD 4.08Å
288E85.1Confident86.8Confident75 Ų7578.3 Ų78.335%0.3538%0.379SS..Hα-helixtrans-64.4-36.6172.9-74-178.1160.900111.8I284 R285 T292 L870 K874I284-E288 HydrophobicContact CG2-CG 4.29Å; I284-E288 WeakPolarHBondContact O-CG 3.5Å; I284-E288 PolarHBondContact O-N 3.04Å; R285-E288 PolarHBondContact O-N 3.33Å; E288-T292 WeakPolarHBondContact O-CB 3.29Å; E288-T292 PolarHBondContact O-N 3.04Å; E288-T292 PolarHBondContact O-OG1 2.78Å; E288-L870 HydrophobicContact CB-CD1 4.34Å; E288-L870 HydrophobicContact CG-CD1 3.57Å; E288-L870 HydrophobicContact CG-CD2 4.1Å; E288-L870 HydrophobicContact CG-CG 4.36Å; E288-K874 WeakPolarHBondContact OE1-CE 3.39Å; E288-K874 IonicContact OE1-NZ 2.83Å; E288-K874 PolarHBondContact OE1-NZ 2.83Å
289Q85.1Confident86.8Confident142 Ų14277.5 Ų77.566%0.66438%0.378SS*.Hα-helixtrans-66.9-45.2173-73.2178-1100111.6R285 G286 Q287 L291 T292 Q293R285-Q289 WeakPolarHBondContact O-CG 3.49Å; R285-Q289 PolarHBondContact O-N 2.78Å; R285-Q289 VanDerWaalsContact O-N 3.09Å; G286-Q289 WeakPolarHBondContact O-CB 3.48Å; G286-Q289 PolarHBondContact O-N 2.64Å; Q287-Q289 VanDerWaalsContact C-N 3.33Å; Q287-Q289 PolarHBondContact O-N 3.41Å; Q289-L291 VanDerWaalsContact C-N 3.33Å; Q289-L291 PolarHBondContact O-N 3.39Å; Q289-T292 PolarHBondContact O-N 3.16Å; Q289-Q293 PolarHBondContact O-N 2.93Å
290V88.1Confident86.6Confident66 Ų6678.7 Ų78.740%0.438%0.381SS..Hα-helixtrans-60-44175.4174.90000110.8G286 Q287 T292 Q293 S294 V866G286-V290 WeakPolarHBondContact O-CG2 3.49Å; G286-V290 PolarHBondContact O-N 2.84Å; Q287-V290 PolarHBondContact O-N 3.38Å; V290-T292 VanDerWaalsContact C-N 3.32Å; V290-T292 PolarHBondContact O-N 3.04Å; V290-Q293 PolarHBondContact O-N 3.1Å; V290-S294 PolarHBondContact O-N 3.36Å; V290-S294 PolarHBondContact O-OG 3.01Å; V290-V866 HydrophobicContact CG1-CG1 4.36Å; V290-V866 HydrophobicContact CG1-CG2 4.27Å
291L88.6Confident86.5Confident14 Ų1478.1 Ų78.17%0.07338%0.38CS..Hα-helixtrans-61.5-38.8175.9-176.162.9000112.4Q287 Q289 Q293 S294 R295 V863 V866 Q867Q287-L291 WeakPolarHBondContact O-CB 3.24Å; Q287-L291 PolarHBondContact O-N 3.48Å; Q289-L291 VanDerWaalsContact C-N 3.33Å; Q289-L291 PolarHBondContact O-N 3.39Å; L291-Q293 VanDerWaalsContact C-N 3.34Å; L291-S294 WeakPolarHBondContact CA-OG 3.35Å; L291-S294 PolarHBondContact O-OG 2.78Å; L291-R295 HydrophobicContact CD1-CG 4.32Å; L291-R295 VanDerWaalsContact O-CB 3.25Å; L291-R295 WeakPolarHBondContact O-CB 3.48Å; L291-R295 VanDerWaalsContact O-CG 3.25Å; L291-R295 WeakPolarHBondContact O-CG 3.37Å; L291-R295 PolarHBondContact O-N 2.83Å; L291-V863 HydrophobicContact CD1-CG1 4.08Å; L291-V866 HydrophobicContact CB-CG1 3.83Å; L291-V866 HydrophobicContact CD1-CB 4.29Å; L291-V866 HydrophobicContact CD1-CG1 4.11Å; L291-Q867 HydrophobicContact CD1-CB 4.2Å
292T84.1Confident86.7Confident99 Ų9980.6 Ų80.661%0.60739%0.389SS*.Hα-helixtrans-67.1-40.1177.4-56.20000110.8E288 Q289 V290 S296E288-T292 WeakPolarHBondContact O-CB 3.29Å; E288-T292 PolarHBondContact O-N 3.04Å; E288-T292 PolarHBondContact O-OG1 2.78Å; Q289-T292 PolarHBondContact O-N 3.16Å; V290-T292 VanDerWaalsContact C-N 3.32Å; V290-T292 PolarHBondContact O-N 3.04Å; T292-S296 WeakPolarHBondContact O-CB 3.37Å; T292-S296 PolarHBondContact O-N 3.4Å
293Q86.3Confident86.6Confident120 Ų12077.4 Ų77.456%0.56138%0.383SS*.Hα-helixtrans-67.7-46.5177.2-172.1174.60.600112.1Q289 V290 L291 S296 Q297Q289-Q293 PolarHBondContact O-N 2.93Å; V290-Q293 PolarHBondContact O-N 3.1Å; L291-Q293 VanDerWaalsContact C-N 3.34Å; Q293-S296 WeakPolarHBondContact O-CB 3.44Å; Q293-S296 PolarHBondContact O-N 3.45Å; Q293-Q297 WeakPolarHBondContact O-CG 3.39Å; Q293-Q297 PolarHBondContact O-N 3.45Å
294S85.7Confident86.4Confident11 Ų1177.7 Ų77.78%0.07739%0.387CS..Hα-helixtrans-66-40.5178.261.40000112V290 L291 S296 Q297 Y298V290-S294 PolarHBondContact O-N 3.36Å; V290-S294 PolarHBondContact O-OG 3.01Å; L291-S294 WeakPolarHBondContact CA-OG 3.35Å; L291-S294 PolarHBondContact O-OG 2.78Å; S294-S296 VanDerWaalsContact C-N 3.33Å; S294-S296 PolarHBondContact O-N 3.26Å; S294-Q297 PolarHBondContact O-N 2.91Å; S294-Y298 WeakPolarHBondContact O-CB 3.24Å; S294-Y298 PolarHBondContact O-N 3.44Å
295R86.4Confident86.3Confident110 Ų11077.5 Ų77.542%0.41539%0.386SS..Hα-helixtrans-61.2-40172.3-78177.7173.8-178.6-1.2112.5L291 Q297 Y298 I299 V863L291-R295 HydrophobicContact CD1-CG 4.32Å; L291-R295 VanDerWaalsContact O-CB 3.25Å; L291-R295 WeakPolarHBondContact O-CB 3.48Å; L291-R295 VanDerWaalsContact O-CG 3.25Å; L291-R295 WeakPolarHBondContact O-CG 3.37Å; L291-R295 PolarHBondContact O-N 2.83Å; R295-Q297 VanDerWaalsContact C-N 3.35Å; R295-Y298 PolarHBondContact O-N 3.17Å; R295-I299 WeakPolarHBondContact O-CD1 3.43Å; R295-I299 VanDerWaalsContact O-CG1 3.23Å; R295-I299 WeakPolarHBondContact O-CG1 3.39Å; R295-I299 PolarHBondContact O-N 3.3Å; R295-V863 HydrophobicContact CG-CG1 3.79Å; R295-V863 HydrophobicContact CG-CG2 4.15Å
296S85.6Confident86.4Confident57 Ų5772 Ų7240%0.39937%0.374SS..Hα-helixtrans-62.9-42.1175.5-175.40000111.8T292 Q293 S294 I299 K300T292-S296 WeakPolarHBondContact O-CB 3.37Å; T292-S296 PolarHBondContact O-N 3.4Å; Q293-S296 WeakPolarHBondContact O-CB 3.44Å; Q293-S296 PolarHBondContact O-N 3.45Å; S294-S296 VanDerWaalsContact C-N 3.33Å; S294-S296 PolarHBondContact O-N 3.26Å; S296-I299 PolarHBondContact O-N 3.19Å; S296-K300 WeakPolarHBondContact O-CG 3.41Å; S296-K300 PolarHBondContact O-N 3.48Å; S296-K300 VanDerWaalsContact O-N 3.14Å
297Q86.8Confident86.3Confident94 Ų9475.8 Ų75.844%0.43938%0.383SS..Hα-helixtrans-66.3-43.1176.2-71.1174.3-13.600112Q293 S294 R295 I299 K300 A301 L859Q293-Q297 WeakPolarHBondContact O-CG 3.39Å; Q293-Q297 PolarHBondContact O-N 3.45Å; S294-Q297 PolarHBondContact O-N 2.91Å; R295-Q297 VanDerWaalsContact C-N 3.35Å; Q297-I299 PolarHBondContact O-N 3.12Å; Q297-K300 WeakPolarHBondContact O-CB 3.46Å; Q297-K300 PolarHBondContact O-N 2.98Å; Q297-A301 PolarHBondContact O-N 2.95Å; Q297-L859 HydrophobicContact CB-CD1 4.41Å; Q297-L859 HydrophobicContact CB-CD2 4.3Å
298Y89.3Confident86.2Confident36 Ų3675.1 Ų75.114%0.14138%0.38CS..Hα-helixtrans-58.8-45.4174.1170.5-103.1000112.1S294 R295 K300 A301 K302 E856 L859 L860S294-Y298 WeakPolarHBondContact O-CB 3.24Å; S294-Y298 PolarHBondContact O-N 3.44Å; R295-Y298 PolarHBondContact O-N 3.17Å; Y298-K300 VanDerWaalsContact C-N 3.3Å; Y298-K300 PolarHBondContact O-N 3.21Å; Y298-A301 PolarHBondContact O-N 2.9Å; Y298-K302 HydrophobicContact CE1-CD 4.05Å; Y298-K302 WeakPolarHBondContact O-CB 3.36Å; Y298-K302 PolarHBondContact O-N 3.42Å; Y298-K302 PolarHBondContact OH-NZ 3.11Å; Y298-E856 HydrophobicContact CD2-CG 4.19Å; Y298-E856 HydrophobicContact CE2-CG 3.6Å; Y298-L859 HydrophobicContact CD2-CB 4.31Å; Y298-L860 HydrophobicContact CD2-CB 4.06Å; Y298-L860 HydrophobicContact CD2-CD1 4.42Å; Y298-L860 HydrophobicContact CE1-CD1 4.42Å; Y298-L860 HydrophobicContact CE2-CB 3.78Å; Y298-L860 HydrophobicContact CE2-CD1 3.88Å; Y298-L860 HydrophobicContact CE2-CG 4.3Å
299I84.9Confident86.2Confident100 Ų10073 Ų7351%0.51337%0.372SS..Hα-helixtrans-61-41.2177.5-69164.6000110.9R295 S296 Q297 K302 V303R295-I299 WeakPolarHBondContact O-CD1 3.43Å; R295-I299 VanDerWaalsContact O-CG1 3.23Å; R295-I299 WeakPolarHBondContact O-CG1 3.39Å; R295-I299 PolarHBondContact O-N 3.3Å; S296-I299 PolarHBondContact O-N 3.19Å; Q297-I299 PolarHBondContact O-N 3.12Å; I299-K302 PolarHBondContact O-N 3.46Å; I299-V303 HydrophobicContact CG2-CG2 4.49Å; I299-V303 VanDerWaalsContact O-CG2 3.29Å; I299-V303 WeakPolarHBondContact O-CG2 3.46Å; I299-V303 PolarHBondContact O-N 3.08Å
300K85.7Confident86.3Confident137 Ų13772.1 Ų72.160%0.59637%0.366SS*.Hα-helixtrans-62.8-45.7175.7-71.4174.8-178.2-178.20111.8S296 Q297 Y298 V303 N304S296-K300 WeakPolarHBondContact O-CG 3.41Å; S296-K300 PolarHBondContact O-N 3.48Å; S296-K300 VanDerWaalsContact O-N 3.14Å; Q297-K300 WeakPolarHBondContact O-CB 3.46Å; Q297-K300 PolarHBondContact O-N 2.98Å; Y298-K300 VanDerWaalsContact C-N 3.3Å; Y298-K300 PolarHBondContact O-N 3.21Å; K300-V303 PolarHBondContact O-N 3.45Å; K300-N304 PolarHBondContact O-N 2.69Å
301A85Confident86.1Confident13 Ų1372.6 Ų72.611%0.10736%0.363CS..Hα-helixtrans-61.5-45.8177.100000111.5Q297 Y298 V303 N304 T305 V855 E856 L859Q297-A301 PolarHBondContact O-N 2.95Å; Y298-A301 PolarHBondContact O-N 2.9Å; A301-V303 PolarHBondContact O-N 3.26Å; A301-N304 WeakPolarHBondContact O-CB 3.41Å; A301-N304 PolarHBondContact O-N 3.47Å; A301-N304 VanDerWaalsContact O-N 3.16Å; A301-T305 PolarHBondContact O-N 3.26Å; A301-T305 PolarHBondContact O-OG1 3.22Å; A301-T305 VanDerWaalsContact O-OG1 3.06Å; A301-V855 HydrophobicContact CB-CG1 4.42Å; A301-E856 HydrophobicContact CB-CB 4.44Å; A301-L859 HydrophobicContact CB-CD1 3.71Å
302K87.6Confident86Confident103 Ų10372.7 Ų72.745%0.44837%0.365SS..Hα-helixtrans-61.1-41177.8-176.2170.8-162.9160.20113.7Y298 I299 T305 S306 E856Y298-K302 HydrophobicContact CE1-CD 4.05Å; Y298-K302 WeakPolarHBondContact O-CB 3.36Å; Y298-K302 PolarHBondContact O-N 3.42Å; Y298-K302 PolarHBondContact OH-NZ 3.11Å; I299-K302 PolarHBondContact O-N 3.46Å; K302-T305 PolarHBondContact O-N 3.46Å; K302-S306 WeakPolarHBondContact O-CB 3.45Å; K302-S306 PolarHBondContact O-N 2.99Å; K302-E856 HydrophobicContact CB-CG 4.44Å; K302-E856 WeakPolarHBondContact CG-OE1 3.44Å
303V86.1Confident86Confident92 Ų9273.7 Ų73.756%0.55836%0.363SS*.Hα-helixtrans-65.9-41.5175.3171.50000110.6I299 K300 A301 S306 H307I299-V303 HydrophobicContact CG2-CG2 4.49Å; I299-V303 VanDerWaalsContact O-CG2 3.29Å; I299-V303 WeakPolarHBondContact O-CG2 3.46Å; I299-V303 PolarHBondContact O-N 3.08Å; K300-V303 PolarHBondContact O-N 3.45Å; A301-V303 PolarHBondContact O-N 3.26Å; V303-S306 PolarHBondContact O-N 3.36Å; V303-H307 WeakPolarHBondContact O-CB 3.12Å; V303-H307 PolarHBondContact O-N 3.1Å
304N85Confident85.9Confident93 Ų9374.7 Ų74.750%0.49737%0.368SS..Hα-helixtrans-62.9-45.7175-75.1-4.9000111.7K300 A301 S306 H307 H308K300-N304 PolarHBondContact O-N 2.69Å; A301-N304 WeakPolarHBondContact O-CB 3.41Å; A301-N304 PolarHBondContact O-N 3.47Å; A301-N304 VanDerWaalsContact O-N 3.16Å; N304-S306 VanDerWaalsContact C-N 3.34Å; N304-S306 PolarHBondContact O-N 3.37Å; N304-H307 WeakPolarHBondContact O-CB 3.09Å; N304-H307 PolarHBondContact O-N 2.79Å; N304-H308 PolarHBondContact O-CD2 3.41Å; N304-H308 PolarHBondContact O-N 3.12Å
305T87.1Confident85.9Confident6 Ų676 Ų764%0.03737%0.374CS..Hα-helixtrans-56.6-48.2173.8-55.40000111A301 K302 H307 H308 V309 S852 R853 E856A301-T305 PolarHBondContact O-N 3.26Å; A301-T305 PolarHBondContact O-OG1 3.22Å; A301-T305 VanDerWaalsContact O-OG1 3.06Å; K302-T305 PolarHBondContact O-N 3.46Å; T305-H307 VanDerWaalsContact C-N 3.28Å; T305-H307 PolarHBondContact O-N 3.35Å; T305-H308 PolarHBondContact O-N 3.34Å; T305-V309 HydrophobicContact CG2-CG2 4.33Å; T305-V309 VanDerWaalsContact O-CG2 3.26Å; T305-V309 WeakPolarHBondContact O-CG2 3.49Å; T305-V309 PolarHBondContact O-N 2.94Å; T305-S852 PolarHBondContact OG1-O 3.32Å; T305-R853 HydrophobicContact CG2-CG 3.5Å; T305-R853 VanDerWaalsContact CG2-CG 3.5Å; T305-E856 VanDerWaalsContact CB-OE2 3.23Å; T305-E856 WeakPolarHBondContact CB-OE2 3.43Å; T305-E856 WeakPolarHBondContact CG2-OE2 3.36Å; T305-E856 PolarHBondContact OG1-OE2 3.41Å
306S87.9Confident85.8Confident55 Ų5571.6 Ų71.639%0.38536%0.362SS..Hα-helixtrans-61.3-36.9178.8-177.90000112.5K302 V303 N304 K310K302-S306 WeakPolarHBondContact O-CB 3.45Å; K302-S306 PolarHBondContact O-N 2.99Å; V303-S306 PolarHBondContact O-N 3.36Å; N304-S306 VanDerWaalsContact C-N 3.34Å; N304-S306 PolarHBondContact O-N 3.37Å; S306-K310 WeakPolarHBondContact O-CG 3.12Å; S306-K310 PolarHBondContact O-N 3.41Å
307H85.2Confident85.8Confident110 Ų11072.8 Ų72.851%0.50936%0.364SS..Hα-helixtrans-65.3-48.2176.2175.4-90.9000111.8V303 N304 T305 V309 K310 K311V303-H307 WeakPolarHBondContact O-CB 3.12Å; V303-H307 PolarHBondContact O-N 3.1Å; N304-H307 WeakPolarHBondContact O-CB 3.09Å; N304-H307 PolarHBondContact O-N 2.79Å; T305-H307 VanDerWaalsContact C-N 3.28Å; T305-H307 PolarHBondContact O-N 3.35Å; H307-V309 PolarHBondContact O-N 3.47Å; H307-K310 PolarHBondContact O-N 3.23Å; H307-K311 WeakPolarHBondContact O-CB 3.5Å; H307-K311 PolarHBondContact O-N 2.93Å
308H84.2Confident85.6Confident45 Ų4570.3 Ų70.321%0.20836%0.36CS..Hα-helixtrans-64.7-38.8177.8-72.9-69.8000112.5N304 T305 K311 A312 E845 T849N304-H308 PolarHBondContact O-CD2 3.41Å; N304-H308 PolarHBondContact O-N 3.12Å; T305-H308 PolarHBondContact O-N 3.34Å; H308-K311 PolarHBondContact O-N 2.93Å; H308-A312 WeakPolarHBondContact O-CB 3.43Å; H308-A312 PolarHBondContact O-N 2.99Å; H308-E845 IonicContact CE1-OE2 3.7Å; H308-E845 IonicContact ND1-OE2 2.98Å; H308-E845 PolarHBondContact ND1-OE2 3.39Å; H308-T849 WeakPolarHBondContact CB-OG1 3.35Å
309V86.3Confident85.5Confident31 Ų3169.1 Ų69.119%0.18836%0.356CS..Hα-helixtrans-59.7-51.8174171.60000111.2T305 H307 K311 A312 E313 T849T305-V309 HydrophobicContact CG2-CG2 4.33Å; T305-V309 VanDerWaalsContact O-CG2 3.26Å; T305-V309 WeakPolarHBondContact O-CG2 3.49Å; T305-V309 PolarHBondContact O-N 2.94Å; H307-V309 PolarHBondContact O-N 3.47Å; V309-K311 VanDerWaalsContact C-N 3.31Å; V309-K311 PolarHBondContact O-N 2.78Å; V309-A312 PolarHBondContact O-N 3.43Å; V309-E313 WeakPolarHBondContact O-CG 3.48Å; V309-E313 PolarHBondContact O-N 2.98Å; V309-T849 HydrophobicContact CG2-CG2 3.5Å
310K86.4Confident85.5Confident122 Ų12270.2 Ų70.253%0.5336%0.357SS..Hα-helixtrans-61.4-41.3179.8-75.6-179.4-180-177.40112S306 H307 E313 E314S306-K310 WeakPolarHBondContact O-CG 3.12Å; S306-K310 PolarHBondContact O-N 3.41Å; H307-K310 PolarHBondContact O-N 3.23Å; K310-E313 PolarHBondContact O-N 3.07Å; K310-E314 WeakPolarHBondContact O-CG 3.27Å; K310-E314 PolarHBondContact O-N 2.74Å
311K83.8Confident85.4Confident77 Ų7771 Ų7134%0.33536%0.36SS..Hα-helixtrans-65.1-40.8178.1-167.5-179.6179.4-1600111.7H307 H308 V309 I315 E845H307-K311 WeakPolarHBondContact O-CB 3.5Å; H307-K311 PolarHBondContact O-N 2.93Å; H308-K311 PolarHBondContact O-N 2.93Å; V309-K311 VanDerWaalsContact C-N 3.31Å; V309-K311 PolarHBondContact O-N 2.78Å; K311-I315 HydrophobicContact CG-CD1 3.97Å; K311-I315 WeakPolarHBondContact O-CD1 3.5Å; K311-I315 WeakPolarHBondContact O-CG1 3.18Å; K311-I315 PolarHBondContact O-N 3.07Å; K311-I315 VanDerWaalsContact O-N 3.07Å; K311-E845 WeakPolarHBondContact CE-OE1 3.45Å; K311-E845 IonicContact NZ-OE1 3.87Å; K311-E845 PolarHBondContact NZ-OE1 3.1Å
312A86.1Confident85.3Confident15 Ų1574.4 Ų74.412%0.12437%0.373CS..Hα-helixtrans-63.9-40.7174.500000111.9H308 V309 G316 E845H308-A312 WeakPolarHBondContact O-CB 3.43Å; H308-A312 PolarHBondContact O-N 2.99Å; V309-A312 PolarHBondContact O-N 3.43Å; A312-G316 PolarHBondContact O-N 3.04Å; A312-E845 HydrophobicContact CB-CB 4.44Å
313E85.4Confident85.1Confident121 Ų12176.4 Ų76.457%0.56538%0.378SS*.Hα-helixtrans-63.7-47.7175.4-74176169.800112.4V309 K310 I315 G316 D317V309-E313 WeakPolarHBondContact O-CG 3.48Å; V309-E313 PolarHBondContact O-N 2.98Å; K310-E313 PolarHBondContact O-N 3.07Å; E313-I315 PolarHBondContact O-N 3.35Å; E313-G316 PolarHBondContact O-N 3.29Å; E313-D317 PolarHBondContact O-N 3.11Å
314E84.6Confident85.1Confident140 Ų14081.5 Ų81.565%0.65439%0.387SS*.Hα-helixtrans-60.6-44.9178.9-75174.9-17500112.1K310 D317 A318K310-E314 WeakPolarHBondContact O-CG 3.27Å; K310-E314 PolarHBondContact O-N 2.74Å; E314-D317 PolarHBondContact O-N 3.49Å; E314-A318 PolarHBondContact O-N 3.48Å; E314-A318 VanDerWaalsContact O-N 3.08Å
315I83.7Confident84.9Confident40 Ų4079.7 Ų79.721%0.20539%0.385CS..Hα-helixtrans-69.1-38.4177-58.7167.1000109.9K311 E313 D317 A318 V319 I842 E845K311-I315 HydrophobicContact CG-CD1 3.97Å; K311-I315 WeakPolarHBondContact O-CD1 3.5Å; K311-I315 WeakPolarHBondContact O-CG1 3.18Å; K311-I315 PolarHBondContact O-N 3.07Å; K311-I315 VanDerWaalsContact O-N 3.07Å; E313-I315 PolarHBondContact O-N 3.35Å; I315-D317 PolarHBondContact O-N 3.15Å; I315-A318 WeakPolarHBondContact O-CB 3.31Å; I315-A318 PolarHBondContact O-N 2.99Å; I315-V319 WeakPolarHBondContact O-CG2 3.26Å; I315-V319 PolarHBondContact O-N 3.22Å; I315-I842 HydrophobicContact CB-CG1 4Å; I315-I842 HydrophobicContact CG2-CD1 3.88Å; I315-I842 HydrophobicContact CG2-CG1 3.36Å; I315-E845 HydrophobicContact CD1-CG 4.44Å
316G86Confident84.8Confident16 Ų1680.2 Ų80.217%0.16539%0.387CS..Hα-helixtrans-58.5-44.117500000113.1A312 E313 V319 K320A312-G316 PolarHBondContact O-N 3.04Å; E313-G316 PolarHBondContact O-N 3.29Å; G316-V319 PolarHBondContact O-N 2.98Å; G316-K320 WeakPolarHBondContact O-CG 3.37Å; G316-K320 PolarHBondContact O-N 3.11Å
317D84.6Confident84.6Confident83 Ų8380.5 Ų80.544%0.44439%0.392SS..Hα-helixtrans-70.7-34.2176.8-78-12.8000112.6E313 E314 I315 K320 K321E313-D317 PolarHBondContact O-N 3.11Å; E314-D317 PolarHBondContact O-N 3.49Å; I315-D317 PolarHBondContact O-N 3.15Å; D317-K320 PolarHBondContact O-N 3.27Å; D317-K320 IonicContact OD1-NZ 2.77Å; D317-K320 PolarHBondContact OD1-NZ 2.82Å; D317-K320 VanDerWaalsContact OD1-NZ 3.12Å; D317-K321 WeakPolarHBondContact O-CG 3.47Å; D317-K321 PolarHBondContact O-N 3.37Å
318A82.5Confident84.6Confident42 Ų4278 Ų7835%0.34739%0.391SS..Hα-helixtrans-63.3-41.717100000112E314 I315 K321 K322E314-A318 PolarHBondContact O-N 3.48Å; E314-A318 VanDerWaalsContact O-N 3.08Å; I315-A318 WeakPolarHBondContact O-CB 3.31Å; I315-A318 PolarHBondContact O-N 2.99Å; A318-K321 PolarHBondContact O-N 3.31Å; A318-K322 WeakPolarHBondContact O-CB 3.49Å; A318-K322 PolarHBondContact O-N 3.35Å
319V86.8Confident84.4Confident10 Ų1080.6 Ų80.66%0.06140%0.402CS..Hα-helixtrans-65.1-40.8175.51650000111.6I315 G316 K321 K322 R323 L835 M838 E839 I842I315-V319 WeakPolarHBondContact O-CG2 3.26Å; I315-V319 PolarHBondContact O-N 3.22Å; G316-V319 PolarHBondContact O-N 2.98Å; V319-K321 PolarHBondContact O-N 3Å; V319-K322 PolarHBondContact O-N 3.48Å; V319-R323 WeakPolarHBondContact O-CB 3.32Å; V319-R323 PolarHBondContact O-N 3.47Å; V319-L835 HydrophobicContact CG1-CD1 4.09Å; V319-M838 HydrophobicContact CG2-CB 3.73Å; V319-E839 HydrophobicContact CG1-CG 4.18Å; V319-I842 HydrophobicContact CB-CD1 3.8Å; V319-I842 HydrophobicContact CG1-CD1 4.27Å; V319-I842 HydrophobicContact CG2-CD1 3.42Å; V319-I842 VanDerWaalsContact CG2-CD1 3.42Å; V319-I842 HydrophobicContact CG2-CG1 4.47Å
320K85.3Confident84.3Confident123 Ų12382.1 Ų82.154%0.53541%0.407SS..Hα-helixtrans-60.5-45173.7-72.7172.7-166.9157.40112.1G316 D317 R323 R324G316-K320 WeakPolarHBondContact O-CG 3.37Å; G316-K320 PolarHBondContact O-N 3.11Å; D317-K320 PolarHBondContact O-N 3.27Å; D317-K320 IonicContact OD1-NZ 2.77Å; D317-K320 PolarHBondContact OD1-NZ 2.82Å; D317-K320 VanDerWaalsContact OD1-NZ 3.12Å; K320-R323 PolarHBondContact O-N 3.49Å; K320-R324 WeakPolarHBondContact O-CG 3.1Å; K320-R324 PolarHBondContact O-N 3.12Å; K320-R324 VanDerWaalsContact O-N 3.14Å
321K84.3Confident84.2Confident153 Ų15381.7 Ų81.767%0.66541%0.407SS*.Hα-helixtrans-62.8-43.6176.7-73.4177-176.6175.60111.4D317 A318 V319 R324 A325D317-K321 WeakPolarHBondContact O-CG 3.47Å; D317-K321 PolarHBondContact O-N 3.37Å; A318-K321 PolarHBondContact O-N 3.31Å; V319-K321 PolarHBondContact O-N 3Å; K321-R324 PolarHBondContact O-N 3.01Å; K321-A325 PolarHBondContact O-N 3.02Å; K321-A325 VanDerWaalsContact O-N 3.07Å
322K82.5Confident84Confident85 Ų8581.9 Ų81.937%0.3741%0.409SS..Hα-helixtrans-66.3-38.1177.3-79.9-68.5-166.1167.60113.1A318 V319 R324 A325 M326 E831 L835A318-K322 WeakPolarHBondContact O-CB 3.49Å; A318-K322 PolarHBondContact O-N 3.35Å; V319-K322 PolarHBondContact O-N 3.48Å; K322-R324 VanDerWaalsContact C-N 3.35Å; K322-R324 PolarHBondContact O-N 3.42Å; K322-A325 PolarHBondContact O-N 3.01Å; K322-M326 WeakPolarHBondContact O-CB 3.2Å; K322-M326 WeakPolarHBondContact O-CG 3.34Å; K322-M326 PolarHBondContact O-N 2.86Å; K322-E831 IonicContact NZ-OE2 2.72Å; K322-E831 PolarHBondContact NZ-OE2 3.44Å; K322-L835 HydrophobicContact CB-CD1 3.97Å
323R84.4Confident84Confident145 Ų14581.9 Ų81.955%0.54741%0.407SS..Hα-helixtrans-59.6-41.9171.7-84.5-176.1174.7-161.1-1112.4V319 K320 M326 A327 L835 E839V319-R323 WeakPolarHBondContact O-CB 3.32Å; V319-R323 PolarHBondContact O-N 3.47Å; K320-R323 PolarHBondContact O-N 3.49Å; R323-M326 WeakPolarHBondContact O-CB 3.28Å; R323-M326 PolarHBondContact O-N 2.87Å; R323-A327 PolarHBondContact O-N 3.34Å; R323-L835 HydrophobicContact CG-CD1 4.22Å; R323-L835 HydrophobicContact CG-CD2 3.82Å; R323-E839 IonicContact CZ-OE1 3.23Å; R323-E839 IonicContact NE-OE1 3.26Å; R323-E839 PolarHBondContact NE-OE1 3.28Å; R323-E839 VanDerWaalsContact NE-OE1 3.12Å; R323-E839 IonicContact NH2-OE1 3.8Å; R323-E839 PolarHBondContact NH2-OE1 2.89Å
324R84.6Confident83.9Confident200 Ų20081.1 Ų81.176%0.75540%0.403SS*.Hα-helixtrans-64.7-45.1176.3-70.4178.2-177.9-179.10.3112.2K320 K321 K322 M326 A327 A328K320-R324 WeakPolarHBondContact O-CG 3.1Å; K320-R324 PolarHBondContact O-N 3.12Å; K320-R324 VanDerWaalsContact O-N 3.14Å; K321-R324 PolarHBondContact O-N 3.01Å; K322-R324 VanDerWaalsContact C-N 3.35Å; K322-R324 PolarHBondContact O-N 3.42Å; R324-M326 VanDerWaalsContact C-N 3.3Å; R324-M326 PolarHBondContact O-N 3.03Å; R324-A327 PolarHBondContact O-N 2.78Å; R324-A328 PolarHBondContact O-N 3.46Å; R324-A328 VanDerWaalsContact O-N 3.14Å
325A81.8Confident83.9Confident55 Ų5578.3 Ų78.346%0.45539%0.39SS..Hα-helixtrans-63.6-36.4176.300000112.4K321 K322 A328 K329K321-A325 PolarHBondContact O-N 3.02Å; K321-A325 VanDerWaalsContact O-N 3.07Å; K322-A325 PolarHBondContact O-N 3.01Å; A325-A328 PolarHBondContact O-N 3.03Å; A325-K329 PolarHBondContact O-N 3.49Å; A325-K329 VanDerWaalsContact O-N 3.16Å
326M84.3Confident83.7Confident17 Ų1777 Ų778%0.08438%0.384CS..Hα-helixtrans-64.7-42.5173.8-85.8-63.7-59.500112.9K322 R323 R324 A328 K329 Q330 L828 E831 K832K322-M326 WeakPolarHBondContact O-CB 3.2Å; K322-M326 WeakPolarHBondContact O-CG 3.34Å; K322-M326 PolarHBondContact O-N 2.86Å; R323-M326 WeakPolarHBondContact O-CB 3.28Å; R323-M326 PolarHBondContact O-N 2.87Å; R324-M326 VanDerWaalsContact C-N 3.3Å; R324-M326 PolarHBondContact O-N 3.03Å; M326-A328 VanDerWaalsContact C-N 3.34Å; M326-K329 PolarHBondContact O-N 2.99Å; M326-Q330 WeakPolarHBondContact O-CB 3.45Å; M326-Q330 PolarHBondContact O-N 3.01Å; M326-L828 HydrophobicContact CE-CD1 3.45Å; M326-L828 VanDerWaalsContact CE-CD1 3.45Å; M326-L828 HydrophobicContact CE-CG 3.76Å; M326-L828 HydrophobicContact SD-CD1 4.14Å; M326-E831 HydrophobicContact CG-CB 4.37Å; M326-E831 HydrophobicContact SD-CB 3.3Å; M326-E831 WeakPolarHBondContact SD-CB 3.49Å; M326-E831 HydrophobicContact SD-CG 4.32Å; M326-K832 HydrophobicContact CE-CD 4.24Å; M326-K832 HydrophobicContact CE-CG 3.45Å; M326-K832 VanDerWaalsContact CE-CG 3.45Å
327A84.6Confident83.5Confident60 Ų6081.1 Ų81.150%0.49640%0.398SS..Hα-helixtrans-62.5-41.1176.800000111.8R323 R324 Q330 Q331R323-A327 PolarHBondContact O-N 3.34Å; R324-A327 PolarHBondContact O-N 2.78Å; A327-Q330 PolarHBondContact O-N 3.2Å; A327-Q331 PolarHBondContact O-N 2.64Å
328A84.4Confident83.4Confident59 Ų5983.3 Ų83.349%0.48841%0.406SS..Hα-helixtrans-62.6-42.7175.700000112.5R324 A325 M326 Q331 Q332R324-A328 PolarHBondContact O-N 3.46Å; R324-A328 VanDerWaalsContact O-N 3.14Å; A325-A328 PolarHBondContact O-N 3.03Å; M326-A328 VanDerWaalsContact C-N 3.34Å; A328-Q331 PolarHBondContact O-N 2.58Å; A328-Q332 PolarHBondContact O-N 3.05Å
329K80.7Confident83.4Confident99 Ų9986.4 Ų86.443%0.4341%0.413SS..Hα-helixtrans-67.3-35.9175.3-76-169171.8-163.50113.5A325 M326 Q331 Q332 L333 L828A325-K329 PolarHBondContact O-N 3.49Å; A325-K329 VanDerWaalsContact O-N 3.16Å; M326-K329 PolarHBondContact O-N 2.99Å; K329-Q331 VanDerWaalsContact C-N 3.28Å; K329-Q332 PolarHBondContact O-N 3.28Å; K329-L333 PolarHBondContact O-N 2.82Å; K329-L333 VanDerWaalsContact O-N 3.11Å; K329-L828 HydrophobicContact CB-CD1 4.05Å
330Q83.4Confident83.2Confident62 Ų6286.5 Ų86.529%0.2941%0.414SS..Hα-helixtrans-63.7-38.3175.5-171.2845200110.6M326 A327 E334 L828M326-Q330 WeakPolarHBondContact O-CB 3.45Å; M326-Q330 PolarHBondContact O-N 3.01Å; A327-Q330 PolarHBondContact O-N 3.2Å; Q330-E334 PolarHBondContact O-N 3.2Å; Q330-L828 HydrophobicContact CB-CD1 4.21Å
331Q83.9Confident83.1Confident113 Ų11383.5 Ų83.553%0.52841%0.406SS..Hα-helixtrans-67.4-44175.4-172.6-176.4-19.100112.1A327 A328 K329 L333 E334 E335A327-Q331 PolarHBondContact O-N 2.64Å; A328-Q331 PolarHBondContact O-N 2.58Å; K329-Q331 VanDerWaalsContact C-N 3.28Å; Q331-L333 VanDerWaalsContact C-N 3.31Å; Q331-L333 PolarHBondContact O-N 2.92Å; Q331-E334 WeakPolarHBondContact O-CB 3.31Å; Q331-E334 PolarHBondContact O-N 2.81Å; Q331-E334 VanDerWaalsContact O-N 3.1Å; Q331-E335 PolarHBondContact NE2-OE1 3.48Å; Q331-E335 VanDerWaalsContact NE2-OE1 3.09Å; Q331-E335 PolarHBondContact O-N 3.31Å
332Q80.8Confident83.1Confident81 Ų8182.1 Ų82.138%0.37940%0.402SS..Hα-helixtrans-57.8-43.6175.6-170.665.645.300111.9A328 K329 E334 E335 D336A328-Q332 PolarHBondContact O-N 3.05Å; K329-Q332 PolarHBondContact O-N 3.28Å; Q332-E334 VanDerWaalsContact C-N 3.27Å; Q332-E334 PolarHBondContact O-N 3.18Å; Q332-E335 WeakPolarHBondContact O-CB 3.48Å; Q332-E335 PolarHBondContact O-N 2.81Å; Q332-E335 VanDerWaalsContact O-N 3.13Å; Q332-D336 PolarHBondContact NE2-OD1 3.16Å; Q332-D336 PolarHBondContact O-N 3.17Å
333L84.9Confident83.1Confident15 Ų1579.8 Ų79.88%0.07939%0.393CS..Hα-helixtrans-61.7-34.5177.3-169.776.5000112.5K329 Q331 Q337 L821 E824 A825 L828K329-L333 PolarHBondContact O-N 2.82Å; K329-L333 VanDerWaalsContact O-N 3.11Å; Q331-L333 VanDerWaalsContact C-N 3.31Å; Q331-L333 PolarHBondContact O-N 2.92Å; L333-Q337 WeakPolarHBondContact O-CB 3.44Å; L333-Q337 WeakPolarHBondContact O-CG 3.25Å; L333-Q337 PolarHBondContact O-N 3.09Å; L333-Q337 VanDerWaalsContact O-N 3.14Å; L333-L821 HydrophobicContact CD1-CD2 3.67Å; L333-L821 HydrophobicContact CG-CD2 4.35Å; L333-E824 HydrophobicContact CD1-CB 3.8Å; L333-A825 HydrophobicContact CD1-CB 4.35Å; L333-A825 HydrophobicContact CD2-CB 4.46Å; L333-L828 HydrophobicContact CD2-CD2 4.26Å
334E83.4Confident82.8Confident106 Ų10676.6 Ų76.650%0.49538%0.384SS..Hα-helixtrans-71.4-35.9175.6-75.4174.9-169.200112Q330 Q331 Q332 Q338Q330-E334 PolarHBondContact O-N 3.2Å; Q331-E334 WeakPolarHBondContact O-CB 3.31Å; Q331-E334 PolarHBondContact O-N 2.81Å; Q331-E334 VanDerWaalsContact O-N 3.1Å; Q332-E334 VanDerWaalsContact C-N 3.27Å; Q332-E334 PolarHBondContact O-N 3.18Å; E334-Q338 WeakPolarHBondContact O-CG 3.44Å; E334-Q338 PolarHBondContact O-N 3.15Å
335E84.8Confident82.6Confident81 Ų8174.2 Ų74.238%0.37938%0.375SS..Hα-helixtrans-66-49.8174.9-69.8171.9-169.100110.8Q331 Q332 Q337 Q338 E339Q331-E335 PolarHBondContact NE2-OE1 3.48Å; Q331-E335 VanDerWaalsContact NE2-OE1 3.09Å; Q331-E335 PolarHBondContact O-N 3.31Å; Q332-E335 WeakPolarHBondContact O-CB 3.48Å; Q332-E335 PolarHBondContact O-N 2.81Å; Q332-E335 VanDerWaalsContact O-N 3.13Å; E335-Q337 VanDerWaalsContact C-N 3.28Å; E335-Q337 PolarHBondContact O-N 3.39Å; E335-Q338 WeakPolarHBondContact O-CA 3.24Å; E335-Q338 WeakPolarHBondContact O-CB 3.38Å; E335-Q338 PolarHBondContact O-N 3.13Å; E335-E339 PolarHBondContact O-N 3.44Å
336D79.9Confident82.6Confident13 Ų1373.3 Ų73.37%0.0737%0.368CS..Hα-helixtrans-61.3-34.8178-70.713.6000112.2Q332 Q338 E339 V340 L821Q332-D336 PolarHBondContact NE2-OD1 3.16Å; Q332-D336 PolarHBondContact O-N 3.17Å; D336-Q338 VanDerWaalsContact C-N 3.34Å; D336-E339 PolarHBondContact O-N 3.33Å; D336-V340 PolarHBondContact O-N 3.39Å; D336-L821 HydrophobicContact CB-CD2 3.48Å; D336-L821 VanDerWaalsContact CB-CD2 3.48Å; D336-L821 HydrophobicContact CB-CG 4.23Å
337Q81.6Confident82.2Confident101 Ų10175.2 Ų75.247%0.47237%0.374SS..Hα-helixtrans-65.8-36.1173.6-80176.110.800112.4L333 E335 V341 L821L333-Q337 WeakPolarHBondContact O-CB 3.44Å; L333-Q337 WeakPolarHBondContact O-CG 3.25Å; L333-Q337 PolarHBondContact O-N 3.09Å; L333-Q337 VanDerWaalsContact O-N 3.14Å; E335-Q337 VanDerWaalsContact C-N 3.28Å; E335-Q337 PolarHBondContact O-N 3.39Å; Q337-V341 WeakPolarHBondContact O-CG2 3.48Å; Q337-V341 PolarHBondContact O-N 2.75Å; Q337-L821 HydrophobicContact CG-CD1 4.15Å; Q337-L821 HydrophobicContact CG-CD2 3.8Å
338Q83.1Confident81.9Confident129 Ų12981 Ų8160%0.60338%0.383SS*.Hα-helixtrans-68.4-40.6175.7-71174.619.500111E334 E335 D336 V340 V341 E342E334-Q338 WeakPolarHBondContact O-CG 3.44Å; E334-Q338 PolarHBondContact O-N 3.15Å; E335-Q338 WeakPolarHBondContact O-CA 3.24Å; E335-Q338 WeakPolarHBondContact O-CB 3.38Å; E335-Q338 PolarHBondContact O-N 3.13Å; D336-Q338 VanDerWaalsContact C-N 3.34Å; Q338-V340 VanDerWaalsContact C-N 3.35Å; Q338-V340 PolarHBondContact O-N 3.18Å; Q338-V341 WeakPolarHBondContact O-CB 3.41Å; Q338-V341 PolarHBondContact O-N 2.85Å; Q338-V341 VanDerWaalsContact O-N 3.13Å; Q338-E342 WeakPolarHBondContact O-CG 3.39Å; Q338-E342 PolarHBondContact O-N 3.44Å
339E82.1Confident81.6Confident107 Ų10786.1 Ų86.150%0.539%0.39SS..Hα-helixtrans-59.2-41.9177-68.6-169.7170.900112.6E335 D336 V341 E342 L343E335-E339 PolarHBondContact O-N 3.44Å; D336-E339 PolarHBondContact O-N 3.33Å; E339-V341 VanDerWaalsContact C-N 3.31Å; E339-V341 PolarHBondContact O-N 3.24Å; E339-E342 PolarHBondContact O-N 3.17Å; E339-L343 WeakPolarHBondContact O-CB 3.39Å; E339-L343 PolarHBondContact O-N 3.06Å
340V82.3Confident81.2Confident12 Ų1285.7 Ų85.77%0.07339%0.386CS..Hα-helixtrans-61.1-41.1175.5172.20000111.6D336 Q338 E342 L343 Q344 L817 L821D336-V340 PolarHBondContact O-N 3.39Å; Q338-V340 VanDerWaalsContact C-N 3.35Å; Q338-V340 PolarHBondContact O-N 3.18Å; V340-E342 VanDerWaalsContact C-N 3.35Å; V340-L343 PolarHBondContact O-N 3.04Å; V340-Q344 WeakPolarHBondContact O-CG 3.46Å; V340-Q344 PolarHBondContact O-N 2.83Å; V340-Q344 VanDerWaalsContact O-N 3.08Å; V340-L817 HydrophobicContact CG2-CB 3.76Å; V340-L817 HydrophobicContact CG2-CD1 4.38Å; V340-L821 HydrophobicContact CG2-CD1 3.75Å
341V84.2Confident80.6Confident60 Ų6086.5 Ų86.536%0.36439%0.39SS..Hα-helixtrans-66.8-37.8177.7173.40000111.1Q337 Q338 E339 R345Q337-V341 WeakPolarHBondContact O-CG2 3.48Å; Q337-V341 PolarHBondContact O-N 2.75Å; Q338-V341 WeakPolarHBondContact O-CB 3.41Å; Q338-V341 PolarHBondContact O-N 2.85Å; Q338-V341 VanDerWaalsContact O-N 3.13Å; E339-V341 VanDerWaalsContact C-N 3.31Å; E339-V341 PolarHBondContact O-N 3.24Å; V341-R345 VanDerWaalsContact CG1-NH2 3.35Å; V341-R345 WeakPolarHBondContact O-CG 3.2Å; V341-R345 PolarHBondContact O-N 2.82Å; V341-R345 VanDerWaalsContact O-N 3.17Å
342E83.4Confident80Confident124 Ų12487.4 Ų87.458%0.57939%0.392SS*.Hα-helixtrans-67-42.4175.7-68.5-160.7157.400112.5Q338 E339 V340 Q344 R345 A346Q338-E342 WeakPolarHBondContact O-CG 3.39Å; Q338-E342 PolarHBondContact O-N 3.44Å; E339-E342 PolarHBondContact O-N 3.17Å; V340-E342 VanDerWaalsContact C-N 3.35Å; E342-Q344 VanDerWaalsContact C-N 3.34Å; E342-Q344 PolarHBondContact O-N 3.17Å; E342-R345 PolarHBondContact O-N 2.94Å; E342-A346 PolarHBondContact O-N 2.91Å
343L82.3Confident79.4Confident36 Ų3690.2 Ų90.219%0.18841%0.405CS..Hα-helixtrans-59.7-43.6176.1-160.986.6000111.3E339 V340 R345 A346 W347 F810 Q813 Q814 L817E339-L343 WeakPolarHBondContact O-CB 3.39Å; E339-L343 PolarHBondContact O-N 3.06Å; V340-L343 PolarHBondContact O-N 3.04Å; L343-R345 VanDerWaalsContact C-N 3.35Å; L343-R345 PolarHBondContact O-N 2.65Å; L343-A346 WeakPolarHBondContact O-CB 3.48Å; L343-A346 PolarHBondContact O-N 3.3Å; L343-A346 VanDerWaalsContact O-N 3.16Å; L343-W347 PolarHBondContact O-N 3.26Å; L343-F810 HydrophobicContact CD1-CD1 4.47Å; L343-F810 HydrophobicContact CG-CD1 4.45Å; L343-Q813 HydrophobicContact CD2-CB 4.17Å; L343-Q814 HydrophobicContact CD2-CB 4.18Å; L343-L817 HydrophobicContact CD2-CD1 4.34Å
344Q78.5Confident78.3Confident79 Ų7991.3 Ų91.337%0.36941%0.413SS..Hα-helixtrans-63.3-37.9175.9-74.5178.6-2.400112.9V340 E342 A346 R348V340-Q344 WeakPolarHBondContact O-CG 3.46Å; V340-Q344 PolarHBondContact O-N 2.83Å; V340-Q344 VanDerWaalsContact O-N 3.08Å; E342-Q344 VanDerWaalsContact C-N 3.34Å; E342-Q344 PolarHBondContact O-N 3.17Å; Q344-A346 VanDerWaalsContact C-N 3.35Å; Q344-R348 PolarHBondContact O-N 2.98Å
345R81.3Confident77.1Confident150 Ų15092.4 Ų92.457%0.56642%0.418SS*.Hα-helixtrans-69.6-32.9174.2-69.9-180-154.9161.56.3112.1V341 E342 L343 R349V341-R345 VanDerWaalsContact CG1-NH2 3.35Å; V341-R345 WeakPolarHBondContact O-CG 3.2Å; V341-R345 PolarHBondContact O-N 2.82Å; V341-R345 VanDerWaalsContact O-N 3.17Å; E342-R345 PolarHBondContact O-N 2.94Å; L343-R345 VanDerWaalsContact C-N 3.35Å; L343-R345 PolarHBondContact O-N 2.65Å; R345-R349 WeakPolarHBondContact O-CG 3.42Å; R345-R349 PolarHBondContact O-N 3.17Å; R345-R349 PolarHBondContact O-NE 3.19Å
346A80.9Confident75.8Confident36 Ų3694.2 Ų94.230%0.29843%0.426SS..Hα-helixtrans-66.4-44.5175.100000111.3E342 L343 Q344 R349 Y350E342-A346 PolarHBondContact O-N 2.91Å; L343-A346 WeakPolarHBondContact O-CB 3.48Å; L343-A346 PolarHBondContact O-N 3.3Å; L343-A346 VanDerWaalsContact O-N 3.16Å; Q344-A346 VanDerWaalsContact C-N 3.35Å; A346-R349 PolarHBondContact O-N 3.21Å; A346-Y350 PolarHBondContact O-N 3.49Å; A346-Y350 VanDerWaalsContact O-N 3.07Å
347W76.6Confident74.6Confident56 Ų5695.7 Ų95.721%0.21245%0.445CS..Hα-helixtrans-57.5-51.1175.4171.9-110.1000112.7L343 R349 Y350 E351 R807 F810L343-W347 PolarHBondContact O-N 3.26Å; W347-R349 PolarHBondContact O-N 2.91Å; W347-Y350 HydrophobicContact CZ3-CD1 4.16Å; W347-Y350 WeakPolarHBondContact O-CB 3.42Å; W347-Y350 PolarHBondContact O-N 3.4Å; W347-E351 HydrophobicContact CZ2-CB 4.47Å; W347-E351 PolarHBondContact O-N 2.96Å; W347-R807 HydrophobicContact CH2-CB 3.7Å; W347-R807 HydrophobicContact CH2-CG 3.94Å; W347-R807 HydrophobicContact CZ2-CB 4.36Å; W347-R807 HydrophobicContact CZ2-CG 4.09Å; W347-R807 HydrophobicContact CZ3-CB 4.28Å; W347-F810 HydrophobicContact CE3-CB 4.27Å; W347-F810 AromaticContact CE3-CD2 3.53Å; W347-F810 HydrophobicContact CE3-CD2 3.53Å; W347-F810 HydrophobicContact CE3-CE2 4.14Å; W347-F810 HydrophobicContact CE3-CG 4.08Å; W347-F810 AromaticContact CZ3-CD2 3.87Å; W347-F810 HydrophobicContact CZ3-CD2 3.87Å; W347-F810 HydrophobicContact CZ3-CE2 4.49Å
348R76.7Confident73.2Confident183 Ų18395.4 Ų95.469%0.69145%0.45SS*.Hα-helixtrans-59.8-31.2179.3-74.2-174.2-174.6178.43.4113.5Q344 K352Q344-R348 PolarHBondContact O-N 2.98Å; R348-K352 WeakPolarHBondContact O-CB 3.45Å; R348-K352 PolarHBondContact O-N 3.33Å
349R78.6Confident71.6Confident166 Ų16693.4 Ų93.463%0.62646%0.455SS*.Hα-helixtrans-71.5-42175.3-77.6-176.4-77.7-175.9-0.6111.4R345 A346 W347 Q353R345-R349 WeakPolarHBondContact O-CG 3.42Å; R345-R349 PolarHBondContact O-N 3.17Å; R345-R349 PolarHBondContact O-NE 3.19Å; A346-R349 PolarHBondContact O-N 3.21Å; W347-R349 PolarHBondContact O-N 2.91Å; R349-Q353 WeakPolarHBondContact O-CG 3.3Å; R349-Q353 PolarHBondContact O-N 2.81Å
350Y72.3Confident69.9Low89 Ų8999.3 Ų99.335%0.34947%0.473SS..Hα-helixtrans-64.8-49.3177.9-169.3-102000111.5A346 W347 K352 Q353 T354 K806A346-Y350 PolarHBondContact O-N 3.49Å; A346-Y350 VanDerWaalsContact O-N 3.07Å; W347-Y350 HydrophobicContact CZ3-CD1 4.16Å; W347-Y350 WeakPolarHBondContact O-CB 3.42Å; W347-Y350 PolarHBondContact O-N 3.4Å; Y350-K352 VanDerWaalsContact C-N 3.29Å; Y350-K352 PolarHBondContact O-N 3.18Å; Y350-Q353 PolarHBondContact O-N 3.04Å; Y350-Q353 VanDerWaalsContact O-N 3.12Å; Y350-T354 PolarHBondContact O-N 3.35Å; Y350-T354 PolarHBondContact O-OG1 3.2Å; Y350-K806 HydrophobicContact CE1-CB 4.25Å; Y350-K806 HydrophobicContact CE1-CG 4.47Å
351E71.5Confident68.3Low80 Ų80101.4 Ų101.437%0.37450%0.497SS..Hα-helixtrans-55.2-42.9178-177.8176.4-142.900112.5W347 T354 Q355W347-E351 HydrophobicContact CZ2-CB 4.47Å; W347-E351 PolarHBondContact O-N 2.96Å; E351-T354 PolarHBondContact O-N 2.9Å; E351-Q355 PolarHBondContact O-N 3.35Å
352K70.8Confident66.4Low132 Ų132108 Ų10857%0.57452%0.521SS*.Hα-helixtrans-68.1-38.7179.4-159.5177.5-177.3-175.10112.6R348 Y350 T354 E356R348-K352 WeakPolarHBondContact O-CB 3.45Å; R348-K352 PolarHBondContact O-N 3.33Å; Y350-K352 VanDerWaalsContact C-N 3.29Å; Y350-K352 PolarHBondContact O-N 3.18Å; K352-T354 VanDerWaalsContact C-N 3.35Å; K352-E356 WeakPolarHBondContact O-CG 3.25Å; K352-E356 PolarHBondContact O-N 3.12Å
353Q67.4Low64.4Low139 Ų139108.8 Ų108.865%0.6553%0.529SS*.Hα-helixtrans-65.4-37.3175.3-78.8-179.9-20.800112.2R349 Y350 G357R349-Q353 WeakPolarHBondContact O-CG 3.3Å; R349-Q353 PolarHBondContact O-N 2.81Å; Y350-Q353 PolarHBondContact O-N 3.04Å; Y350-Q353 VanDerWaalsContact O-N 3.12Å; Q353-G357 PolarHBondContact O-N 2.92Å
354T62Low63Low39 Ų39111.2 Ų111.224%0.23954%0.542CS..Hα-helixtrans-74.6-38179.8-27.70000112.1Y350 E351 K352 E356 G357 V358 L803Y350-T354 PolarHBondContact O-N 3.35Å; Y350-T354 PolarHBondContact O-OG1 3.2Å; E351-T354 PolarHBondContact O-N 2.9Å; K352-T354 VanDerWaalsContact C-N 3.35Å; T354-E356 VanDerWaalsContact C-N 3.33Å; T354-E356 PolarHBondContact O-N 3.13Å; T354-G357 PolarHBondContact O-N 3.44Å; T354-G357 VanDerWaalsContact O-N 3.15Å; T354-V358 WeakPolarHBondContact O-CG2 3.46Å; T354-V358 PolarHBondContact O-N 2.89Å; T354-L803 HydrophobicContact CG2-CD1 3.78Å; T354-L803 HydrophobicContact CG2-CD2 3.82Å; T354-L803 HydrophobicContact CG2-CG 3.92Å
355Q58.9Low61.7Low129 Ų129112.4 Ų112.460%0.60356%0.559SS**Hα-helixtrans-61.6-38.4173.9-78.1-179.6-800112.9E351 G357 V358 A359E351-Q355 PolarHBondContact O-N 3.35Å; Q355-G357 VanDerWaalsContact C-N 3.3Å; Q355-G357 PolarHBondContact O-N 3.41Å; Q355-V358 PolarHBondContact O-N 3.36Å; Q355-A359 PolarHBondContact O-N 2.65Å
356E56.6Low60.4Low118 Ų118106.9 Ų106.955%0.55154%0.54SS*.Hα-helixtrans-69.6-26.9175.5-72.5175.1-175.300112.7K352 T354K352-E356 WeakPolarHBondContact O-CG 3.25Å; K352-E356 PolarHBondContact O-N 3.12Å; T354-E356 VanDerWaalsContact C-N 3.33Å; T354-E356 PolarHBondContact O-N 3.13Å
357G56.1Low59.2Low45 Ų45110 Ų11046%0.46455%0.552SS.*Hα-helixtrans-73.4-40.9172.900000113.6Q353 T354 Q355 A359 R360Q353-G357 PolarHBondContact O-N 2.92Å; T354-G357 PolarHBondContact O-N 3.44Å; T354-G357 VanDerWaalsContact O-N 3.15Å; Q355-G357 VanDerWaalsContact C-N 3.3Å; Q355-G357 PolarHBondContact O-N 3.41Å; G357-A359 VanDerWaalsContact C-N 3.27Å; G357-A359 PolarHBondContact O-N 2.9Å; G357-R360 PolarHBondContact O-N 3.34Å
358V52.2Low58.2Low95 Ų95112.4 Ų112.458%0.57657%0.573SS**Hα-helixtrans-63.2-31.6179.1173.10000112.1T354 Q355 R360T354-V358 WeakPolarHBondContact O-CG2 3.46Å; T354-V358 PolarHBondContact O-N 2.89Å; Q355-V358 PolarHBondContact O-N 3.36Å; V358-R360 PolarHBondContact O-N 3.46Å
359A48.7Very low57.2Low87 Ų87109.2 Ų109.272%0.71957%0.569SS**THydrogen-bonded Turntrans-71.6-7.2177.900000114.9Q355 G357Q355-A359 PolarHBondContact O-N 2.65Å; G357-A359 VanDerWaalsContact C-N 3.27Å; G357-A359 PolarHBondContact O-N 2.9Å
360R47.5Very low56.3Low230 Ų230104.4 Ų104.487%0.86855%0.554SS**THydrogen-bonded Turntrans-102.6-11.9-178.3-74-178.3176176.70.9114.7G357 V358G357-R360 PolarHBondContact O-N 3.34Å; V358-R360 PolarHBondContact O-N 3.46Å
361G46.8Very low55.8Low57 Ų57103.7 Ų103.759%0.58856%0.556SS**SBendtrans-81.2133.8174.800000111.5D363G361-D363 PolarHBondContact O-N 2.99Å
362K44.2Very low55.3Low198 Ų198105.1 Ų105.186%0.86156%0.562SS**  trans-68.1120.4174.9-83.2176.4174.1175.80109.8I364K362-I364 PolarHBondContact O-N 3.43Å
363D43Very low55Low141 Ų141102.8 Ų102.875%0.75455%0.553SS**  trans-58103.3171.2-98-30.5000111.1G361 S365G361-D363 PolarHBondContact O-N 2.99Å; D363-S365 PolarHBondContact O-N 3.32Å
364I52.8Low54.9Low86 Ų8698 Ų9844%0.44153%0.529SS..  trans-91.986.7159.5-56.3173.1000106K362 I784 F792K362-I364 PolarHBondContact O-N 3.43Å; I364-I784 HydrophobicContact CG2-CG2 3.84Å; I364-F792 HydrophobicContact CB-CE2 4.43Å; I364-F792 HydrophobicContact CG2-CE2 4.15Å
365S51.3Low54.9Low105 Ų105101.3 Ų101.373%0.73454%0.541SS*.PPolyproline II helixtrans-88.5120.217151.70000109.4D363D363-S365 PolarHBondContact O-N 3.32Å
366L53.4Low55.4Low33 Ų33101.1 Ų101.117%0.17354%0.54CS..PPolyproline II helixtrans-72.1137177-68.8170.6000110.5Q370 L371 I784 F792L366-Q370 HydrophobicContact CB-CB 4.38Å; L366-Q370 HydrophobicContact CD2-CB 4.21Å; L366-L371 HydrophobicContact CB-CD1 4.22Å; L366-I784 HydrophobicContact CD2-CD1 3.45Å; L366-I784 VanDerWaalsContact CD2-CD1 3.45Å; L366-I784 HydrophobicContact CD2-CG1 3.78Å; L366-I784 HydrophobicContact CD2-CG2 4.09Å; L366-F792 HydrophobicContact CD1-CE1 3.6Å; L366-F792 HydrophobicContact CD1-CE2 4.43Å; L366-F792 HydrophobicContact CD1-CZ 3.44Å; L366-F792 VanDerWaalsContact CD1-CZ 3.44Å; L366-F792 HydrophobicContact CG-CE1 4.43Å; L366-F792 HydrophobicContact CG-CE2 4.42Å; L366-F792 HydrophobicContact CG-CZ 3.79Å
367D55Low56Low102 Ų10297.7 Ų97.755%0.54553%0.525SS..PPolyproline II helixtrans-70.5157.7174.1-160.74.2000111.3D369 Q370 L371D367-D369 PolarHBondContact O-N 3.11Å; D367-Q370 HydrophobicContact CB-CG 4.23Å; D367-Q370 VanDerWaalsContact N-OE1 3.15Å; D367-Q370 WeakPolarHBondContact O-CA 3.26Å; D367-Q370 WeakPolarHBondContact O-CB 3.44Å; D367-Q370 PolarHBondContact O-N 3.16Å; D367-L371 PolarHBondContact O-N 3.21Å
368V55.4Low56.6Low107 Ų10799 Ų9965%0.64852%0.518SS*.Hα-helixtrans-58.1-36.1-174.2178.40000112L371 H372V368-L371 PolarHBondContact O-N 3.32Å; V368-H372 PolarHBondContact O-N 3.36Å; V368-H372 VanDerWaalsContact O-N 3.09Å
369D57Low57.3Low115 Ų11599.7 Ų99.762%0.61552%0.515SS*.Hα-helixtrans-72.1-34.8176-76.5-12.3000112.7D367 L371 H372 Q373D367-D369 PolarHBondContact O-N 3.11Å; D369-L371 VanDerWaalsContact C-N 3.31Å; D369-H372 PolarHBondContact O-N 3.02Å; D369-Q373 PolarHBondContact O-N 3.04Å
370Q58.4Low58.4Low66 Ų6699.5 Ų99.531%0.30850%0.501SS..Hα-helixtrans-70.2-32174.5-64.6179.9-33.200111.2L366 D367 Q373 Y374 F780L366-Q370 HydrophobicContact CB-CB 4.38Å; L366-Q370 HydrophobicContact CD2-CB 4.21Å; D367-Q370 HydrophobicContact CB-CG 4.23Å; D367-Q370 VanDerWaalsContact N-OE1 3.15Å; D367-Q370 WeakPolarHBondContact O-CA 3.26Å; D367-Q370 WeakPolarHBondContact O-CB 3.44Å; D367-Q370 PolarHBondContact O-N 3.16Å; Q370-Q373 PolarHBondContact O-N 3.35Å; Q370-Y374 VanDerWaalsContact O-CB 3.29Å; Q370-Y374 WeakPolarHBondContact O-CB 3.28Å; Q370-Y374 PolarHBondContact O-N 3.29Å; Q370-F780 WeakPolarHBondContact O-CE2 3.46Å; Q370-F780 WeakPolarHBondContact O-CZ 3.38Å
371L61.6Low59.5Low73 Ų7388.6 Ų88.638%0.38246%0.461SS..Hα-helixtrans-70.9-32.8174.6-144.3115.8000112L366 D367 V368 D369 K375L366-L371 HydrophobicContact CB-CD1 4.22Å; D367-L371 PolarHBondContact O-N 3.21Å; V368-L371 PolarHBondContact O-N 3.32Å; D369-L371 VanDerWaalsContact C-N 3.31Å; L371-K375 VanDerWaalsContact O-CG 3.27Å; L371-K375 WeakPolarHBondContact O-CG 3.49Å; L371-K375 PolarHBondContact O-N 2.98Å; L371-K375 VanDerWaalsContact O-N 3.13Å
372H61.6Low60.4Low110 Ų11091.4 Ų91.451%0.50946%0.458SS..Hα-helixtrans-69.5-45.9171.2-109.8-75.8000111.8V368 D369 Y374 K375 E376V368-H372 PolarHBondContact O-N 3.36Å; V368-H372 VanDerWaalsContact O-N 3.09Å; D369-H372 PolarHBondContact O-N 3.02Å; H372-Y374 VanDerWaalsContact C-N 3.34Å; H372-Y374 PolarHBondContact O-N 3.41Å; H372-K375 WeakPolarHBondContact O-CB 3.43Å; H372-K375 PolarHBondContact O-N 2.88Å; H372-K375 VanDerWaalsContact O-N 3.14Å; H372-E376 PolarHBondContact O-N 2.96Å
373Q63.9Low61.7Low83 Ų8389.3 Ų89.339%0.38845%0.449SS..Hα-helixtrans-62.6-39.8175-76.2-179.10.100112.4D369 Q370 K375 E376 L377 F780D369-Q373 PolarHBondContact O-N 3.04Å; Q370-Q373 PolarHBondContact O-N 3.35Å; Q373-K375 VanDerWaalsContact C-N 3.33Å; Q373-K375 PolarHBondContact O-N 3.45Å; Q373-E376 PolarHBondContact O-N 2.99Å; Q373-L377 WeakPolarHBondContact O-CB 3.28Å; Q373-L377 VanDerWaalsContact O-CG 3.26Å; Q373-L377 WeakPolarHBondContact O-CG 3.25Å; Q373-L377 PolarHBondContact O-N 3.22Å; Q373-F780 HydrophobicContact CB-CD2 4.4Å; Q373-F780 HydrophobicContact CB-CE2 4.06Å
374Y65.6Low63Low38 Ų3888 Ų8815%0.14944%0.439CS..Hα-helixtrans-59-43.4172.1173.6-104000111.9Q370 H372 K378 F777 F780 I789 E793Q370-Y374 VanDerWaalsContact O-CB 3.29Å; Q370-Y374 WeakPolarHBondContact O-CB 3.28Å; Q370-Y374 PolarHBondContact O-N 3.29Å; H372-Y374 VanDerWaalsContact C-N 3.34Å; H372-Y374 PolarHBondContact O-N 3.41Å; Y374-K378 HydrophobicContact CE1-CD 4.04Å; Y374-K378 WeakPolarHBondContact O-CB 3.48Å; Y374-K378 PolarHBondContact O-N 3.47Å; Y374-K378 PolarHBondContact OH-NZ 3.21Å; Y374-F777 AromaticContact CD2-CE1 3.88Å; Y374-F777 HydrophobicContact CD2-CE1 3.88Å; Y374-F777 HydrophobicContact CE2-CE1 4.16Å; Y374-F780 HydrophobicContact CD2-CD1 4.47Å; Y374-F780 AromaticContact CD2-CE1 3.72Å; Y374-F780 HydrophobicContact CD2-CE1 3.72Å; Y374-F780 HydrophobicContact CD2-CZ 4.29Å; Y374-F780 HydrophobicContact CG-CE1 4.24Å; Y374-F780 HydrophobicContact CG-CZ 4.35Å; Y374-I789 HydrophobicContact CD2-CD1 4.13Å; Y374-I789 HydrophobicContact CE2-CD1 3.95Å; Y374-I789 HydrophobicContact CE2-CG1 4.25Å; Y374-E793 PolarHBondContact OH-OE1 3.3Å
375K63.7Low64Low109 Ų10984.1 Ų84.147%0.47442%0.419SS..Hα-helixtrans-65.9-41.7177.7-76.5171.7-178.8176.10112.3L371 H372 Q373 K378 E379L371-K375 VanDerWaalsContact O-CG 3.27Å; L371-K375 WeakPolarHBondContact O-CG 3.49Å; L371-K375 PolarHBondContact O-N 2.98Å; L371-K375 VanDerWaalsContact O-N 3.13Å; H372-K375 WeakPolarHBondContact O-CB 3.43Å; H372-K375 PolarHBondContact O-N 2.88Å; H372-K375 VanDerWaalsContact O-N 3.14Å; Q373-K375 VanDerWaalsContact C-N 3.33Å; Q373-K375 PolarHBondContact O-N 3.45Å; K375-K378 PolarHBondContact O-N 3.4Å; K375-E379 WeakPolarHBondContact O-CG 3.27Å; K375-E379 PolarHBondContact O-N 2.96Å
376E69.3Low65.1Low125 Ų12581 Ų8158%0.58440%0.399SS*.Hα-helixtrans-65.9-43.2177-73.4-178.8169.300112.1H372 Q373 K378 E379 L380H372-E376 PolarHBondContact O-N 2.96Å; Q373-E376 PolarHBondContact O-N 2.99Å; E376-K378 VanDerWaalsContact C-N 3.32Å; E376-E379 PolarHBondContact O-N 3.35Å; E376-L380 WeakPolarHBondContact O-CB 3.24Å; E376-L380 PolarHBondContact O-N 3.17Å
377L68.5Low66.3Low46 Ų4684 Ų8424%0.24142%0.419CS..Hα-helixtrans-66.6-35.6175.7-70.2170.3000111.6Q373 L380 A381 V776 F777 F780Q373-L377 WeakPolarHBondContact O-CB 3.28Å; Q373-L377 VanDerWaalsContact O-CG 3.26Å; Q373-L377 WeakPolarHBondContact O-CG 3.25Å; Q373-L377 PolarHBondContact O-N 3.22Å; L377-L380 PolarHBondContact O-N 2.92Å; L377-A381 VanDerWaalsContact O-CB 3.26Å; L377-A381 WeakPolarHBondContact O-CB 3.42Å; L377-A381 PolarHBondContact O-N 3.42Å; L377-V776 HydrophobicContact CB-CG1 4.46Å; L377-V776 HydrophobicContact CD2-CG1 4.25Å; L377-V776 WeakPolarHBondContact O-CG1 3.33Å; L377-F777 HydrophobicContact CB-CD1 3.97Å; L377-F777 HydrophobicContact CB-CE1 3.54Å; L377-F777 HydrophobicContact CB-CZ 4.01Å; L377-F777 HydrophobicContact CD1-CD1 4.31Å; L377-F780 HydrophobicContact CD1-CB 3.52Å; L377-F780 HydrophobicContact CD1-CD2 3.84Å; L377-F780 HydrophobicContact CD1-CG 3.74Å
378K68.6Low67.5Low74 Ų7480.9 Ų80.932%0.32240%0.402SS..Hα-helixtrans-67.3-39.2173.5-164.1162.1-169.2155.50112.2Y374 K375 E376 L380 Q382 F777 E793Y374-K378 HydrophobicContact CE1-CD 4.04Å; Y374-K378 WeakPolarHBondContact O-CB 3.48Å; Y374-K378 PolarHBondContact O-N 3.47Å; Y374-K378 PolarHBondContact OH-NZ 3.21Å; K375-K378 PolarHBondContact O-N 3.4Å; E376-K378 VanDerWaalsContact C-N 3.32Å; K378-L380 VanDerWaalsContact C-N 3.32Å; K378-Q382 VanDerWaalsContact O-CB 3.27Å; K378-Q382 WeakPolarHBondContact O-CB 3.5Å; K378-Q382 WeakPolarHBondContact O-CG 3.18Å; K378-Q382 PolarHBondContact O-N 3.11Å; K378-F777 HydrophobicContact CB-CZ 3.91Å; K378-F777 HydrophobicContact CG-CZ 4.46Å; K378-E793 IonicContact NZ-OE1 3.44Å; K378-E793 PolarHBondContact NZ-OE1 2.99Å
379E66.7Low68.5Low108 Ų10877.6 Ų77.651%0.50538%0.383SS..Hα-helixtrans-65.2-36.1172-79.3-174.6-172.900112.2K375 E376 K383K375-E379 WeakPolarHBondContact O-CG 3.27Å; K375-E379 PolarHBondContact O-N 2.96Å; E376-E379 PolarHBondContact O-N 3.35Å; E379-K383 WeakPolarHBondContact O-CB 3.45Å; E379-K383 VanDerWaalsContact O-CG 3.26Å; E379-K383 WeakPolarHBondContact O-CG 3.44Å; E379-K383 PolarHBondContact O-N 3.26Å
380L72.3Confident69.5Low83 Ų8378.9 Ų78.944%0.43539%0.386SS..Hα-helixtrans-71.7-43.7178.2-163.7127.7000111.7E376 L377 K378 K383 Q384 V776E376-L380 WeakPolarHBondContact O-CB 3.24Å; E376-L380 PolarHBondContact O-N 3.17Å; L377-L380 PolarHBondContact O-N 2.92Å; K378-L380 VanDerWaalsContact C-N 3.32Å; L380-K383 PolarHBondContact O-N 3.4Å; L380-Q384 WeakPolarHBondContact O-CG 3.33Å; L380-Q384 PolarHBondContact O-N 3.15Å; L380-V776 HydrophobicContact CB-CG1 4.42Å; L380-V776 HydrophobicContact CD2-CG1 3.75Å; L380-V776 HydrophobicContact CD2-CG2 4.1Å
381A69.5Low70.6Confident2 Ų280.3 Ų80.32%0.01739%0.392CS..Hα-helixtrans-57.9-48.4171.800000110.8L377 K383 Q384 S385 D773 V776 F777L377-A381 VanDerWaalsContact O-CB 3.26Å; L377-A381 WeakPolarHBondContact O-CB 3.42Å; L377-A381 PolarHBondContact O-N 3.42Å; A381-K383 VanDerWaalsContact C-N 3.33Å; A381-K383 PolarHBondContact O-N 2.85Å; A381-Q384 PolarHBondContact O-N 3.07Å; A381-S385 WeakPolarHBondContact O-CB 3.5Å; A381-S385 PolarHBondContact O-N 2.74Å; A381-S385 PolarHBondContact O-OG 2.98Å; A381-D773 WeakPolarHBondContact CB-OD1 3.47Å; A381-V776 HydrophobicContact CB-CB 4.24Å; A381-V776 HydrophobicContact CB-CG1 3.96Å; A381-V776 HydrophobicContact CB-CG2 4.48Å; A381-F777 HydrophobicContact CB-CE2 3.78Å
382Q65.9Low71.6Confident116 Ų11677 Ų7754%0.54238%0.376SS..Hα-helixtrans-61.2-35.4175.8-78.5178.2-10.100113.5K378 A386K378-Q382 VanDerWaalsContact O-CB 3.27Å; K378-Q382 WeakPolarHBondContact O-CB 3.5Å; K378-Q382 WeakPolarHBondContact O-CG 3.18Å; K378-Q382 PolarHBondContact O-N 3.11Å; Q382-A386 WeakPolarHBondContact O-CA 3.4Å; Q382-A386 VanDerWaalsContact O-CB 3.25Å; Q382-A386 WeakPolarHBondContact O-CB 3.49Å; Q382-A386 PolarHBondContact O-N 2.89Å
383K72.1Confident72.5Confident154 Ų15476 Ų7667%0.6737%0.374SS*.Hα-helixtrans-69.7-38.4176-77.5168.6-171.7163.90112.3E379 L380 A381E379-K383 WeakPolarHBondContact O-CB 3.45Å; E379-K383 VanDerWaalsContact O-CG 3.26Å; E379-K383 WeakPolarHBondContact O-CG 3.44Å; E379-K383 PolarHBondContact O-N 3.26Å; L380-K383 PolarHBondContact O-N 3.4Å; A381-K383 VanDerWaalsContact C-N 3.33Å; A381-K383 PolarHBondContact O-N 2.85Å
384Q71Confident73.4Confident114 Ų11478.4 Ų78.453%0.53338%0.383SS..Hα-helixtrans-77.6-35.6179.9-70.1-176.1-900112.4L380 A381 I772 V776L380-Q384 WeakPolarHBondContact O-CG 3.33Å; L380-Q384 PolarHBondContact O-N 3.15Å; A381-Q384 PolarHBondContact O-N 3.07Å; Q384-I772 HydrophobicContact CB-CG2 3.98Å; Q384-V776 VanDerWaalsContact OE1-CG2 3.26Å
385S72.4Confident74.2Confident4 Ų477.8 Ų77.83%0.02838%0.383CS..Hα-helixtrans-87.9-7.2177.667.20000113.9A381 V387 L388 C389A381-S385 WeakPolarHBondContact O-CB 3.5Å; A381-S385 PolarHBondContact O-N 2.74Å; A381-S385 PolarHBondContact O-OG 2.98Å; S385-V387 VanDerWaalsContact C-N 3.31Å; S385-V387 PolarHBondContact O-N 3.29Å; S385-V387 VanDerWaalsContact O-N 3.08Å; S385-L388 CarbonylContact O-C 3.53Å; S385-L388 PolarHBondContact O-N 3.36Å; S385-C389 WeakPolarHBondContact O-CB 3.41Å; S385-C389 PolarHBondContact O-N 3.22Å; S385-C389 PolarHBondContact O-SG 2.88Å; S385-C389 VanDerWaalsContact O-SG 3.4Å; S385-C389 PolarHBondContact OG-SG 2.66Å; S385-C389 VanDerWaalsContact OG-SG 3.39Å
386A74.7Confident75.1Confident39 Ų3976 Ų7632%0.32238%0.375SS..Hα-helixtrans-46.9-45.2-172.700000115Q382 Q390Q382-A386 WeakPolarHBondContact O-CA 3.4Å; Q382-A386 VanDerWaalsContact O-CB 3.25Å; Q382-A386 WeakPolarHBondContact O-CB 3.49Å; Q382-A386 PolarHBondContact O-N 2.89Å; A386-Q390 WeakPolarHBondContact O-CG 3.34Å; A386-Q390 PolarHBondContact O-N 3.03Å
387V78.9Confident75.6Confident96 Ų9677.6 Ų77.658%0.58238%0.376SS*.Hα-helixtrans-69.2-42.8-178.81790000111.1S385 Q390 Q391S385-V387 VanDerWaalsContact C-N 3.31Å; S385-V387 PolarHBondContact O-N 3.29Å; S385-V387 VanDerWaalsContact O-N 3.08Å; V387-Q390 PolarHBondContact O-N 2.76Å; V387-Q391 WeakPolarHBondContact O-CG 3.39Å; V387-Q391 PolarHBondContact O-N 3.37Å; V387-Q391 VanDerWaalsContact O-N 3.11Å
388L79.8Confident76.3Confident37 Ų3778.6 Ų78.619%0.19438%0.38CS..Hα-helixtrans-70.1-36.8177.2-67.8170.7000111.2S385 Q391 A392 I765 Q768 I769 I772S385-L388 CarbonylContact O-C 3.53Å; S385-L388 PolarHBondContact O-N 3.36Å; L388-Q391 PolarHBondContact O-N 3.34Å; L388-A392 VanDerWaalsContact O-CB 3.31Å; L388-A392 WeakPolarHBondContact O-CB 3.16Å; L388-A392 PolarHBondContact O-N 3.08Å; L388-I765 HydrophobicContact CB-CG2 4.26Å; L388-I765 HydrophobicContact CD2-CG2 4.27Å; L388-Q768 HydrophobicContact CD1-CB 4.26Å; L388-I769 HydrophobicContact CB-CD1 4.06Å; L388-I769 HydrophobicContact CB-CG1 3.65Å; L388-I769 HydrophobicContact CD1-CG1 4.47Å; L388-I772 HydrophobicContact CD1-CD1 3.59Å
389C76.4Confident77.1Confident37 Ų3776 Ų7625%0.2537%0.37CS..Hα-helixtrans-61.9-44.5173.3-73.20000111.4S385 Q391 A392 D393S385-C389 WeakPolarHBondContact O-CB 3.41Å; S385-C389 PolarHBondContact O-N 3.22Å; S385-C389 PolarHBondContact O-SG 2.88Å; S385-C389 VanDerWaalsContact O-SG 3.4Å; S385-C389 PolarHBondContact OG-SG 2.66Å; S385-C389 VanDerWaalsContact OG-SG 3.39Å; C389-Q391 VanDerWaalsContact C-N 3.32Å; C389-Q391 PolarHBondContact O-N 2.71Å; C389-A392 PolarHBondContact O-N 3.3Å; C389-D393 VanDerWaalsContact O-CB 3.32Å; C389-D393 WeakPolarHBondContact O-CB 3.38Å; C389-D393 PolarHBondContact O-N 2.62Å
390Q78.7Confident77.9Confident143 Ų14375.2 Ų75.267%0.66837%0.365SS*.Hα-helixtrans-62.8-38174.8-75.8179.3-1.800112.6A386 V387 K394A386-Q390 WeakPolarHBondContact O-CG 3.34Å; A386-Q390 PolarHBondContact O-N 3.03Å; V387-Q390 PolarHBondContact O-N 2.76Å; Q390-K394 WeakPolarHBondContact O-CB 3.5Å; Q390-K394 PolarHBondContact O-N 3.23Å
391Q81.3Confident78.2Confident95 Ų9573.3 Ų73.344%0.44436%0.361SS..Hα-helixtrans-68.4-43.2175.1-72.1175.5-6.500111.8V387 L388 C389 D393 K394 L395 I765V387-Q391 WeakPolarHBondContact O-CG 3.39Å; V387-Q391 PolarHBondContact O-N 3.37Å; V387-Q391 VanDerWaalsContact O-N 3.11Å; L388-Q391 PolarHBondContact O-N 3.34Å; C389-Q391 VanDerWaalsContact C-N 3.32Å; C389-Q391 PolarHBondContact O-N 2.71Å; Q391-D393 VanDerWaalsContact C-N 3.35Å; Q391-K394 PolarHBondContact O-N 3.27Å; Q391-L395 PolarHBondContact O-N 3.31Å; Q391-I765 HydrophobicContact CB-CD1 4.48Å
392A81.8Confident78.9Confident5 Ų574.8 Ų74.84%0.04137%0.369CS..Hα-helixtrans-64.2-38.5175.500000111.9L388 C389 H396 I765 I769L388-A392 VanDerWaalsContact O-CB 3.31Å; L388-A392 WeakPolarHBondContact O-CB 3.16Å; L388-A392 PolarHBondContact O-N 3.08Å; C389-A392 PolarHBondContact O-N 3.3Å; A392-H396 WeakPolarHBondContact O-CB 3.3Å; A392-H396 PolarHBondContact O-N 3.37Å; A392-I765 HydrophobicContact CB-CG2 3.97Å; A392-I769 HydrophobicContact CB-CD1 4Å
393D80.6Confident79.7Confident87 Ų8770.3 Ų70.347%0.46535%0.353SS..Hα-helixtrans-67.5-44.1176.1-75.9-23.8000111C389 Q391 H396 W397C389-D393 VanDerWaalsContact O-CB 3.32Å; C389-D393 WeakPolarHBondContact O-CB 3.38Å; C389-D393 PolarHBondContact O-N 2.62Å; Q391-D393 VanDerWaalsContact C-N 3.35Å; D393-H396 WeakPolarHBondContact O-CB 3.3Å; D393-H396 PolarHBondContact O-N 2.91Å; D393-W397 PolarHBondContact O-N 2.97Å
394K83.3Confident80.3Confident135 Ų13568.7 Ų68.759%0.58735%0.348SS*.Hα-helixtrans-59.1-50.1174.5-175.4-176.6172.9-169.10111.1Q390 Q391 H396 W397 E398Q390-K394 WeakPolarHBondContact O-CB 3.5Å; Q390-K394 PolarHBondContact O-N 3.23Å; Q391-K394 PolarHBondContact O-N 3.27Å; K394-H396 VanDerWaalsContact C-N 3.28Å; K394-H396 PolarHBondContact O-N 3.14Å; K394-W397 PolarHBondContact O-N 3.07Å; K394-E398 WeakPolarHBondContact CE-OE1 3.17Å; K394-E398 WeakPolarHBondContact O-CG 3.26Å; K394-E398 PolarHBondContact O-N 2.85Å
395L83.4Confident80.9Confident25 Ų2568.6 Ų68.613%0.13135%0.346CS..Hα-helixtrans-62.3-36.2175.7-113.879.9000111.8Q391 E398 V399 E761 M762 I765Q391-L395 PolarHBondContact O-N 3.31Å; L395-E398 PolarHBondContact O-N 3.07Å; L395-V399 WeakPolarHBondContact O-CB 3.36Å; L395-V399 WeakPolarHBondContact O-CG2 3.45Å; L395-V399 PolarHBondContact O-N 2.94Å; L395-E761 HydrophobicContact CD2-CB 3.89Å; L395-E761 HydrophobicContact CD2-CG 3.95Å; L395-M762 HydrophobicContact CB-CG 4.49Å; L395-M762 HydrophobicContact CD2-CB 4.08Å; L395-I765 HydrophobicContact CD2-CD1 4.5Å
396H82.6Confident81.5Confident70 Ų7069 Ų6932%0.32435%0.348SS..Hα-helixtrans-64.6-43.2177.5-17961.3000111.9A392 D393 K394 K400 M762A392-H396 WeakPolarHBondContact O-CB 3.3Å; A392-H396 PolarHBondContact O-N 3.37Å; D393-H396 WeakPolarHBondContact O-CB 3.3Å; D393-H396 PolarHBondContact O-N 2.91Å; K394-H396 VanDerWaalsContact C-N 3.28Å; K394-H396 PolarHBondContact O-N 3.14Å; H396-K400 WeakPolarHBondContact O-CB 3.36Å; H396-K400 PolarHBondContact O-N 3Å; H396-M762 HydrophobicContact CB-CE 4.31Å; H396-M762 HydrophobicContact CB-SD 4.17Å
397W80.1Confident82Confident159 Ų15970.1 Ų70.160%0.60235%0.351SS*.Hα-helixtrans-65.9-37.5174.3-73116000112.1D393 K394 K400 A401D393-W397 PolarHBondContact O-N 2.97Å; K394-W397 PolarHBondContact O-N 3.07Å; W397-K400 HydrophobicContact CE3-CD 4.14Å; W397-K400 HydrophobicContact CZ3-CD 3.99Å; W397-K400 PolarHBondContact O-N 3.43Å; W397-A401 VanDerWaalsContact O-CB 3.28Å; W397-A401 WeakPolarHBondContact O-CB 3.41Å; W397-A401 PolarHBondContact O-N 2.93Å
398E82.9Confident82.3Confident67 Ų6771.7 Ų71.731%0.31335%0.351SS..Hα-helixtrans-66.3-46.6174.8-72.2176.4-170.400112K394 L395 K400 A401 D402K394-E398 WeakPolarHBondContact CE-OE1 3.17Å; K394-E398 WeakPolarHBondContact O-CG 3.26Å; K394-E398 PolarHBondContact O-N 2.85Å; L395-E398 PolarHBondContact O-N 3.07Å; E398-K400 VanDerWaalsContact C-N 3.31Å; E398-K400 PolarHBondContact O-N 3.45Å; E398-A401 PolarHBondContact O-N 2.92Å; E398-D402 WeakPolarHBondContact O-CB 3.25Å; E398-D402 PolarHBondContact O-N 3.37Å
399V84.9Confident82.6Confident19 Ų1970.8 Ų70.812%0.11535%0.346CS..Hα-helixtrans-63.5-37.6175.41680000111.4L395 G403 L755 K758 M762L395-V399 WeakPolarHBondContact O-CB 3.36Å; L395-V399 WeakPolarHBondContact O-CG2 3.45Å; L395-V399 PolarHBondContact O-N 2.94Å; V399-G403 WeakPolarHBondContact O-CA 3.45Å; V399-G403 PolarHBondContact O-N 3.09Å; V399-L755 HydrophobicContact CG1-CD1 4.41Å; V399-L755 HydrophobicContact CG1-CG 4.35Å; V399-L755 WeakPolarHBondContact O-CD1 3.49Å; V399-K758 HydrophobicContact CG2-CB 3.63Å; V399-M762 HydrophobicContact CB-CE 3.55Å; V399-M762 HydrophobicContact CG1-CE 3.81Å; V399-M762 HydrophobicContact CG2-CE 3.49Å; V399-M762 VanDerWaalsContact CG2-CE 3.49Å
400K83.2Confident83Confident92 Ų9272.4 Ų72.440%0.435%0.35SS..Hα-helixtrans-67.2-44.2175.4-174.6176.7177.2-176.70111.6H396 W397 E398 G403 E404H396-K400 WeakPolarHBondContact O-CB 3.36Å; H396-K400 PolarHBondContact O-N 3Å; W397-K400 HydrophobicContact CE3-CD 4.14Å; W397-K400 HydrophobicContact CZ3-CD 3.99Å; W397-K400 PolarHBondContact O-N 3.43Å; E398-K400 VanDerWaalsContact C-N 3.31Å; E398-K400 PolarHBondContact O-N 3.45Å; K400-G403 PolarHBondContact O-N 3.32Å; K400-E404 VanDerWaalsContact CE-OE1 3.31Å; K400-E404 WeakPolarHBondContact CE-OE1 3.35Å; K400-E404 WeakPolarHBondContact O-CB 3.47Å; K400-E404 WeakPolarHBondContact O-CG 3.44Å; K400-E404 PolarHBondContact O-N 3Å
401A79.8Confident83.3Confident43 Ų4373.3 Ų73.336%0.35535%0.347SS..Hα-helixtrans-64.8-4417800000112W397 E398 E404 K405W397-A401 VanDerWaalsContact O-CB 3.28Å; W397-A401 WeakPolarHBondContact O-CB 3.41Å; W397-A401 PolarHBondContact O-N 2.93Å; E398-A401 PolarHBondContact O-N 2.92Å; A401-E404 PolarHBondContact O-N 3.36Å; A401-K405 WeakPolarHBondContact O-CG 3.44Å; A401-K405 PolarHBondContact O-N 3.01Å
402D82.6Confident83.5Confident34 Ų3474.7 Ų74.718%0.18235%0.348CS..Hα-helixtrans-70.7-33.2177.1-68.6-22.5000111.2E398 K405 V406 L755 K758E398-D402 WeakPolarHBondContact O-CB 3.25Å; E398-D402 PolarHBondContact O-N 3.37Å; D402-K405 WeakPolarHBondContact O-CB 3.28Å; D402-K405 PolarHBondContact O-N 2.87Å; D402-K405 IonicContact OD1-NZ 3.1Å; D402-K405 PolarHBondContact OD1-NZ 3.27Å; D402-V406 WeakPolarHBondContact O-CG2 3.38Å; D402-V406 PolarHBondContact O-N 3.08Å; D402-L755 HydrophobicContact CB-CD1 4.07Å; D402-K758 IonicContact OD2-NZ 2.79Å; D402-K758 PolarHBondContact OD2-NZ 3.5Å
403G83.8Confident83.8Confident21 Ų2177 Ų7722%0.21636%0.357CS..Hα-helixtrans-65.3-40.4171.700000113.1V399 K400 K405 V406 V407 L755V399-G403 WeakPolarHBondContact O-CA 3.45Å; V399-G403 PolarHBondContact O-N 3.09Å; K400-G403 PolarHBondContact O-N 3.32Å; G403-K405 VanDerWaalsContact C-N 3.34Å; G403-V406 PolarHBondContact O-N 3.26Å; G403-V407 VanDerWaalsContact O-CG2 3.29Å; G403-V407 WeakPolarHBondContact O-CG2 3.4Å; G403-V407 PolarHBondContact O-N 3.13Å; G403-L755 VanDerWaalsContact CA-CD1 3.44Å
404E83.8Confident84.1Confident120 Ų12079.4 Ų79.456%0.56136%0.364SS*.Hα-helixtrans-65.1-36.8173.4-75.7174.4-170.200111.8K400 A401 V407 F408K400-E404 VanDerWaalsContact CE-OE1 3.31Å; K400-E404 WeakPolarHBondContact CE-OE1 3.35Å; K400-E404 WeakPolarHBondContact O-CB 3.47Å; K400-E404 WeakPolarHBondContact O-CG 3.44Å; K400-E404 PolarHBondContact O-N 3Å; A401-E404 PolarHBondContact O-N 3.36Å; E404-V407 PolarHBondContact O-N 3.39Å; E404-F408 WeakPolarHBondContact O-CB 3.49Å; E404-F408 PolarHBondContact O-N 3.15Å
405K83.6Confident84.3Confident112 Ų11279.3 Ų79.349%0.48737%0.365SS..Hα-helixtrans-64.6-46.6172.4-71.8174.3-168.4159.20112.4A401 D402 G403 V407 F408 D409A401-K405 WeakPolarHBondContact O-CG 3.44Å; A401-K405 PolarHBondContact O-N 3.01Å; D402-K405 WeakPolarHBondContact O-CB 3.28Å; D402-K405 PolarHBondContact O-N 2.87Å; D402-K405 IonicContact OD1-NZ 3.1Å; D402-K405 PolarHBondContact OD1-NZ 3.27Å; G403-K405 VanDerWaalsContact C-N 3.34Å; K405-V407 VanDerWaalsContact C-N 3.3Å; K405-V407 PolarHBondContact O-N 2.88Å; K405-F408 WeakPolarHBondContact O-CA 3.4Å; K405-F408 WeakPolarHBondContact O-CB 3.18Å; K405-F408 PolarHBondContact O-N 2.86Å; K405-F408 VanDerWaalsContact O-N 3.09Å; K405-D409 PolarHBondContact O-N 3.12Å
406V86.4Confident84.5Confident12 Ų1279.1 Ų79.17%0.07336%0.364CS..Hα-helixtrans-59.6-42.5175.8170.40000110.7D402 G403 F408 D409 Q410 I748 Q751 Q752D402-V406 WeakPolarHBondContact O-CG2 3.38Å; D402-V406 PolarHBondContact O-N 3.08Å; G403-V406 PolarHBondContact O-N 3.26Å; V406-F408 VanDerWaalsContact C-N 3.33Å; V406-F408 PolarHBondContact O-N 3.47Å; V406-D409 PolarHBondContact O-N 3.44Å; V406-Q410 HydrophobicContact CG1-CG 4.33Å; V406-Q410 VanDerWaalsContact O-CB 3.28Å; V406-Q410 WeakPolarHBondContact O-CB 3.24Å; V406-Q410 WeakPolarHBondContact O-CG 3.41Å; V406-Q410 PolarHBondContact O-N 2.97Å; V406-I748 HydrophobicContact CG1-CG2 4.44Å; V406-Q751 HydrophobicContact CG2-CB 3.64Å; V406-Q752 HydrophobicContact CG1-CG 4.01Å
407V85.1Confident84.7Confident63 Ų6378.2 Ų78.238%0.38236%0.36SS..Hα-helixtrans-64.8-37.9175.9170.70000111.6G403 E404 K405 R411G403-V407 VanDerWaalsContact O-CG2 3.29Å; G403-V407 WeakPolarHBondContact O-CG2 3.4Å; G403-V407 PolarHBondContact O-N 3.13Å; E404-V407 PolarHBondContact O-N 3.39Å; K405-V407 VanDerWaalsContact C-N 3.3Å; K405-V407 PolarHBondContact O-N 2.88Å; V407-R411 VanDerWaalsContact O-CG 3.31Å; V407-R411 WeakPolarHBondContact O-CG 3.5Å; V407-R411 PolarHBondContact O-N 3.14Å
408F85.6Confident85.2Confident130 Ų13073.9 Ų73.957%0.5735%0.351SS*.Hα-helixtrans-64-49.1174.9176.8-93.9000111.6E404 K405 V406 Q410 R411 R412E404-F408 WeakPolarHBondContact O-CB 3.49Å; E404-F408 PolarHBondContact O-N 3.15Å; K405-F408 WeakPolarHBondContact O-CA 3.4Å; K405-F408 WeakPolarHBondContact O-CB 3.18Å; K405-F408 PolarHBondContact O-N 2.86Å; K405-F408 VanDerWaalsContact O-N 3.09Å; V406-F408 VanDerWaalsContact C-N 3.33Å; V406-F408 PolarHBondContact O-N 3.47Å; F408-Q410 VanDerWaalsContact C-N 3.33Å; F408-Q410 PolarHBondContact O-N 3.38Å; F408-R411 WeakPolarHBondContact O-CB 3.24Å; F408-R411 PolarHBondContact O-N 3.31Å; F408-R411 VanDerWaalsContact O-N 3.11Å; F408-R412 PolarHBondContact O-N 3.17Å
409D84.9Confident85.4Confident18 Ų1872.2 Ų72.210%0.09635%0.349CS..Hα-helixtrans-67-33.6178.6-72.8-25.1000111.6K405 V406 R411 R412 K413 I748 Q751K405-D409 PolarHBondContact O-N 3.12Å; V406-D409 PolarHBondContact O-N 3.44Å; D409-R411 PolarHBondContact O-N 3.33Å; D409-R412 PolarHBondContact O-N 2.89Å; D409-K413 WeakPolarHBondContact O-CB 3.29Å; D409-K413 PolarHBondContact O-N 2.87Å; D409-I748 HydrophobicContact CB-CD1 4.15Å; D409-I748 HydrophobicContact CB-CG1 3.8Å; D409-Q751 PolarHBondContact OD2-NE2 2.99Å; D409-Q751 PolarHBondContact OD2-OE1 3.32Å
410Q84.2Confident85.6Confident70 Ų7071.9 Ų71.933%0.32735%0.346SS..Hα-helixtrans-65.7-34170.6-77.3175.51.400113.5V406 F408 K414 I748 Q752V406-Q410 HydrophobicContact CG1-CG 4.33Å; V406-Q410 VanDerWaalsContact O-CB 3.28Å; V406-Q410 WeakPolarHBondContact O-CB 3.24Å; V406-Q410 WeakPolarHBondContact O-CG 3.41Å; V406-Q410 PolarHBondContact O-N 2.97Å; F408-Q410 VanDerWaalsContact C-N 3.33Å; F408-Q410 PolarHBondContact O-N 3.38Å; Q410-K414 PolarHBondContact O-N 3.03Å; Q410-I748 HydrophobicContact CG-CD1 4.23Å; Q410-I748 HydrophobicContact CG-CG2 4.27Å; Q410-Q752 VanDerWaalsContact NE2-NE2 3.11Å
411R84.7Confident85.9Confident162 Ų16274.2 Ų74.261%0.61135%0.352SS*.Hα-helixtrans-67.8-45.6172.1-73.4171.9-171.7-177.44.5110.2V407 F408 D409 K413 K414 E415V407-R411 VanDerWaalsContact O-CG 3.31Å; V407-R411 WeakPolarHBondContact O-CG 3.5Å; V407-R411 PolarHBondContact O-N 3.14Å; F408-R411 WeakPolarHBondContact O-CB 3.24Å; F408-R411 PolarHBondContact O-N 3.31Å; F408-R411 VanDerWaalsContact O-N 3.11Å; D409-R411 PolarHBondContact O-N 3.33Å; R411-K413 VanDerWaalsContact C-N 3.3Å; R411-K413 PolarHBondContact O-N 3.47Å; R411-K414 PolarHBondContact O-N 3.07Å; R411-K414 VanDerWaalsContact O-N 3.11Å; R411-E415 WeakPolarHBondContact O-CG 3.26Å; R411-E415 PolarHBondContact O-N 3.24Å
412R85.9Confident86.3Confident124 Ų12476.1 Ų76.147%0.46836%0.357SS..Hα-helixtrans-59.8-38.7175.8-170.8177.6179.3-176-0.8112.2F408 D409 E415 I416 L744F408-R412 PolarHBondContact O-N 3.17Å; D409-R412 PolarHBondContact O-N 2.89Å; R412-E415 PolarHBondContact O-N 3.38Å; R412-I416 HydrophobicContact CG-CD1 4.35Å; R412-I416 WeakPolarHBondContact O-CG1 3.23Å; R412-I416 PolarHBondContact O-N 2.73Å; R412-L744 HydrophobicContact CB-CD2 4.07Å; R412-L744 HydrophobicContact CG-CD2 4.01Å
413K89Confident86.6Confident53 Ų5376.4 Ų76.423%0.2336%0.358CS..Hα-helixtrans-56.3-51.8171.1-177.1-176.4173.7166.90111.4D409 R411 E415 I416 E417 L741 L744 E745 I748D409-K413 WeakPolarHBondContact O-CB 3.29Å; D409-K413 PolarHBondContact O-N 2.87Å; R411-K413 VanDerWaalsContact C-N 3.3Å; R411-K413 PolarHBondContact O-N 3.47Å; K413-E415 VanDerWaalsContact C-N 3.31Å; K413-E415 PolarHBondContact O-N 2.85Å; K413-I416 PolarHBondContact O-N 2.93Å; K413-E417 WeakPolarHBondContact CE-OE1 3.15Å; K413-E417 WeakPolarHBondContact O-CG 3.35Å; K413-E417 PolarHBondContact O-N 3.18Å; K413-L741 HydrophobicContact CG-CD1 3.63Å; K413-L744 HydrophobicContact CB-CD2 3.99Å; K413-E745 HydrophobicContact CD-CG 4.07Å; K413-E745 WeakPolarHBondContact CE-OE1 3.35Å; K413-E745 IonicContact NZ-OE1 3.87Å; K413-E745 PolarHBondContact NZ-OE1 3.17Å; K413-I748 HydrophobicContact CB-CD1 4.14Å; K413-I748 HydrophobicContact CD-CD1 4.21Å
414K86.9Confident86.8Confident139 Ų13979 Ų7960%0.60436%0.364SS*.Hα-helixtrans-62.2-36.9178.5-71.9177.5-177.71760112.4Q410 R411 E417 V418Q410-K414 PolarHBondContact O-N 3.03Å; R411-K414 PolarHBondContact O-N 3.07Å; R411-K414 VanDerWaalsContact O-N 3.11Å; K414-E417 PolarHBondContact O-N 3.39Å; K414-V418 WeakPolarHBondContact O-CB 3.37Å; K414-V418 VanDerWaalsContact O-CG2 3.24Å; K414-V418 WeakPolarHBondContact O-CG2 3.19Å; K414-V418 PolarHBondContact O-N 3.48Å
415E87Confident87.1Confident133 Ų13376.3 Ų76.362%0.62136%0.357SS*.Hα-helixtrans-63.4-44.4175.3-71.6170.2-171.100111.7R411 R412 K413 V418 A419R411-E415 WeakPolarHBondContact O-CG 3.26Å; R411-E415 PolarHBondContact O-N 3.24Å; R412-E415 PolarHBondContact O-N 3.38Å; K413-E415 VanDerWaalsContact C-N 3.31Å; K413-E415 PolarHBondContact O-N 2.85Å; E415-V418 PolarHBondContact O-N 2.85Å; E415-A419 WeakPolarHBondContact O-CB 3.27Å; E415-A419 PolarHBondContact O-N 2.99Å
416I87.3Confident87.2Confident21 Ų2174.9 Ų74.911%0.10835%0.351CS..Hα-helixtrans-66.1-42.4176.1-65.5171.5000110.9R412 K413 V418 A419 I420 L737 L741 L744R412-I416 HydrophobicContact CG-CD1 4.35Å; R412-I416 WeakPolarHBondContact O-CG1 3.23Å; R412-I416 PolarHBondContact O-N 2.73Å; K413-I416 PolarHBondContact O-N 2.93Å; I416-V418 VanDerWaalsContact C-N 3.33Å; I416-V418 PolarHBondContact O-N 2.99Å; I416-A419 WeakPolarHBondContact O-CB 3.44Å; I416-A419 PolarHBondContact O-N 2.94Å; I416-A419 VanDerWaalsContact O-N 3.15Å; I416-I420 HydrophobicContact CG2-CD1 3.97Å; I416-I420 HydrophobicContact CG2-CG1 4.43Å; I416-I420 WeakPolarHBondContact O-CG1 3.33Å; I416-I420 PolarHBondContact O-N 3.14Å; I416-L737 HydrophobicContact CG2-CB 4.42Å; I416-L741 HydrophobicContact CB-CD1 4.34Å; I416-L741 HydrophobicContact CG2-CB 4.1Å; I416-L741 HydrophobicContact CG2-CD1 4.13Å; I416-L744 HydrophobicContact CD1-CD2 4.18Å
417E88.2Confident87.4Confident51 Ų5175.5 Ų75.524%0.23835%0.354CS..Hα-helixtrans-59.8-41.1174.9-74.6178-169.900112.6K413 K414 I420 R421 L741K413-E417 WeakPolarHBondContact CE-OE1 3.15Å; K413-E417 WeakPolarHBondContact O-CG 3.35Å; K413-E417 PolarHBondContact O-N 3.18Å; K414-E417 PolarHBondContact O-N 3.39Å; E417-I420 PolarHBondContact O-N 3.44Å; E417-R421 WeakPolarHBondContact O-CG 3.48Å; E417-R421 PolarHBondContact O-N 3.21Å; E417-R421 IonicContact OE2-NH2 3.75Å; E417-R421 PolarHBondContact OE2-NH2 3.38Å; E417-L741 HydrophobicContact CG-CD1 3.8Å; E417-L741 HydrophobicContact CG-CD2 4.1Å
418V89.8Confident87.6Confident68 Ų6879 Ų7941%0.41237%0.366SS..Hα-helixtrans-67-40175.3170.20000110.5K414 E415 I416 R421 N422K414-V418 WeakPolarHBondContact O-CB 3.37Å; K414-V418 VanDerWaalsContact O-CG2 3.24Å; K414-V418 WeakPolarHBondContact O-CG2 3.19Å; K414-V418 PolarHBondContact O-N 3.48Å; E415-V418 PolarHBondContact O-N 2.85Å; I416-V418 VanDerWaalsContact C-N 3.33Å; I416-V418 PolarHBondContact O-N 2.99Å; V418-R421 PolarHBondContact O-N 3.26Å; V418-N422 WeakPolarHBondContact O-CB 3.02Å; V418-N422 VanDerWaalsContact O-CG 3.22Å; V418-N422 PolarHBondContact O-N 3.24Å; V418-N422 PolarHBondContact O-ND2 2.72Å
419A86.5Confident87.8Confident32 Ų3278.4 Ų78.426%0.26437%0.366SS..Hα-helixtrans-63.3-39.9175.100000112.4E415 I416 N422 N423 L737E415-A419 WeakPolarHBondContact O-CB 3.27Å; E415-A419 PolarHBondContact O-N 2.99Å; I416-A419 WeakPolarHBondContact O-CB 3.44Å; I416-A419 PolarHBondContact O-N 2.94Å; I416-A419 VanDerWaalsContact O-N 3.15Å; A419-N422 PolarHBondContact O-N 3.25Å; A419-N423 WeakPolarHBondContact O-CB 3.2Å; A419-N423 PolarHBondContact O-N 3.01Å; A419-N423 PolarHBondContact O-ND2 2.85Å; A419-N423 VanDerWaalsContact O-ND2 3.13Å; A419-L737 HydrophobicContact CB-CD1 4.34Å
420I90.3Very high88Confident12 Ų1280.4 Ų80.46%0.06237%0.373CS..Hα-helixtrans-61.7-49.5173.4-69.8165.6000110.2I416 E417 N422 N423 Q424 I734 L737 E738 L741I416-I420 HydrophobicContact CG2-CD1 3.97Å; I416-I420 HydrophobicContact CG2-CG1 4.43Å; I416-I420 WeakPolarHBondContact O-CG1 3.33Å; I416-I420 PolarHBondContact O-N 3.14Å; E417-I420 PolarHBondContact O-N 3.44Å; I420-N422 VanDerWaalsContact C-N 3.33Å; I420-N422 PolarHBondContact O-N 3.09Å; I420-N423 PolarHBondContact O-N 3.47Å; I420-Q424 HydrophobicContact CG2-CG 4.31Å; I420-Q424 WeakPolarHBondContact O-CB 3.46Å; I420-Q424 VanDerWaalsContact O-CG 3.32Å; I420-Q424 WeakPolarHBondContact O-CG 3.37Å; I420-Q424 PolarHBondContact O-N 3.03Å; I420-I734 HydrophobicContact CG2-CG2 4.48Å; I420-L737 HydrophobicContact CD1-CB 4.08Å; I420-L737 HydrophobicContact CG1-CB 3.59Å; I420-L737 HydrophobicContact CG1-CD1 4.33Å; I420-E738 HydrophobicContact CD1-CG 4.03Å; I420-E738 HydrophobicContact CG2-CG 4.49Å; I420-L741 HydrophobicContact CD1-CB 4.29Å; I420-L741 HydrophobicContact CD1-CD2 4.03Å
421R89.6Confident88.2Confident140 Ų14081.1 Ų81.153%0.52838%0.378SS..Hα-helixtrans-59.7-42.3177.8-74-178.8-136.1161.36.5112.3E417 V418 Q424 T425E417-R421 WeakPolarHBondContact O-CG 3.48Å; E417-R421 PolarHBondContact O-N 3.21Å; E417-R421 IonicContact OE2-NH2 3.75Å; E417-R421 PolarHBondContact OE2-NH2 3.38Å; V418-R421 PolarHBondContact O-N 3.26Å; R421-Q424 PolarHBondContact O-N 3.46Å; R421-T425 WeakPolarHBondContact O-CG2 3.4Å; R421-T425 PolarHBondContact O-N 3.03Å; R421-T425 PolarHBondContact O-OG1 3.26Å
422N88.2Confident88.5Confident84 Ų8475.6 Ų75.645%0.44936%0.364SS..Hα-helixtrans-64.5-39.9176.9-70.6-16.6000112V418 A419 I420 T425 H426V418-N422 WeakPolarHBondContact O-CB 3.02Å; V418-N422 VanDerWaalsContact O-CG 3.22Å; V418-N422 PolarHBondContact O-N 3.24Å; V418-N422 PolarHBondContact O-ND2 2.72Å; A419-N422 PolarHBondContact O-N 3.25Å; I420-N422 VanDerWaalsContact C-N 3.33Å; I420-N422 PolarHBondContact O-N 3.09Å; N422-T425 PolarHBondContact O-OG1 3.44Å; N422-H426 PolarHBondContact O-CD2 2.88Å; N422-H426 VanDerWaalsContact O-CG 3.31Å; N422-H426 PolarHBondContact O-N 3Å
423N87Confident88.6Confident39 Ų3976.4 Ų76.421%0.20937%0.367CS..Hα-helixtrans-70.4-33.5175.7-77-45.3000112.3A419 I420 H426 L427 I734 L737A419-N423 WeakPolarHBondContact O-CB 3.2Å; A419-N423 PolarHBondContact O-N 3.01Å; A419-N423 PolarHBondContact O-ND2 2.85Å; A419-N423 VanDerWaalsContact O-ND2 3.13Å; I420-N423 PolarHBondContact O-N 3.47Å; N423-H426 PolarHBondContact O-N 2.96Å; N423-L427 WeakPolarHBondContact O-CB 3.3Å; N423-L427 PolarHBondContact O-N 3.17Å; N423-I734 HydrophobicContact CB-CD1 4.17Å; N423-I734 HydrophobicContact CB-CG1 3.64Å; N423-L737 WeakPolarHBondContact ND2-CD1 3.48Å
424Q89.6Confident88.7Confident75 Ų7574 Ų7435%0.3536%0.357SS..Hα-helixtrans-65-43.5173.1-74.3171.7-14.100111.9I420 R421 H426 L427 E428 I734I420-Q424 HydrophobicContact CG2-CG 4.31Å; I420-Q424 WeakPolarHBondContact O-CB 3.46Å; I420-Q424 VanDerWaalsContact O-CG 3.32Å; I420-Q424 WeakPolarHBondContact O-CG 3.37Å; I420-Q424 PolarHBondContact O-N 3.03Å; R421-Q424 PolarHBondContact O-N 3.46Å; Q424-H426 PolarHBondContact O-N 3.21Å; Q424-L427 WeakPolarHBondContact O-CB 3.46Å; Q424-L427 PolarHBondContact O-N 3.4Å; Q424-E428 PolarHBondContact O-N 2.87Å; Q424-I734 HydrophobicContact CG-CD1 4.05Å
425T89.2Confident88.9Confident65 Ų6572.8 Ų72.840%0.39935%0.354SS..Hα-helixtrans-64.7-40.5174.955.90000111.6R421 N422 L427 E428 E429R421-T425 WeakPolarHBondContact O-CG2 3.4Å; R421-T425 PolarHBondContact O-N 3.03Å; R421-T425 PolarHBondContact O-OG1 3.26Å; N422-T425 PolarHBondContact O-OG1 3.44Å; T425-L427 VanDerWaalsContact C-N 3.32Å; T425-L427 PolarHBondContact O-N 2.96Å; T425-E428 PolarHBondContact O-N 3.46Å; T425-E429 WeakPolarHBondContact O-CG 3.3Å; T425-E429 PolarHBondContact O-N 3.24Å
426H85.9Confident89Confident81 Ų8173.1 Ų73.138%0.37535%0.353SS..Hα-helixtrans-62.2-38173-72.8-41.7000112.9N422 N423 Q424 E429 F430N422-H426 PolarHBondContact O-CD2 2.88Å; N422-H426 VanDerWaalsContact O-CG 3.31Å; N422-H426 PolarHBondContact O-N 3Å; N423-H426 PolarHBondContact O-N 2.96Å; Q424-H426 PolarHBondContact O-N 3.21Å; H426-E429 IonicContact ND1-OE2 2.87Å; H426-E429 PolarHBondContact ND1-OE2 3.34Å; H426-E429 PolarHBondContact O-N 3.1Å; H426-F430 HydrophobicContact CB-CD2 4.49Å; H426-F430 HydrophobicContact CB-CE2 4.13Å; H426-F430 WeakPolarHBondContact O-CB 3.27Å; H426-F430 WeakPolarHBondContact O-CD2 3.47Å; H426-F430 VanDerWaalsContact O-CG 3.28Å; H426-F430 WeakPolarHBondContact O-CG 3.49Å; H426-F430 PolarHBondContact O-N 3.48Å
427L90.6Very high89.1Confident25 Ų2573.6 Ų73.613%0.13136%0.356CS..Hα-helixtrans-61.9-46.9175.1-18064.3000111.1N423 Q424 T425 E429 F430 M431 I727 C730 Q731 I734N423-L427 WeakPolarHBondContact O-CB 3.3Å; N423-L427 PolarHBondContact O-N 3.17Å; Q424-L427 WeakPolarHBondContact O-CB 3.46Å; Q424-L427 PolarHBondContact O-N 3.4Å; T425-L427 VanDerWaalsContact C-N 3.32Å; T425-L427 PolarHBondContact O-N 2.96Å; L427-E429 PolarHBondContact O-N 3.32Å; L427-F430 PolarHBondContact O-N 3.5Å; L427-M431 HydrophobicContact CD1-CG 4.43Å; L427-M431 HydrophobicContact CD1-SD 4.37Å; L427-M431 HydrophobicContact CG-SD 4.16Å; L427-M431 WeakPolarHBondContact O-CB 3.36Å; L427-M431 VanDerWaalsContact O-CG 3.28Å; L427-M431 WeakPolarHBondContact O-CG 3.46Å; L427-M431 PolarHBondContact O-N 2.85Å; L427-I727 HydrophobicContact CD1-CG2 3.9Å; L427-C730 HydrophobicContact CD1-CB 4.4Å; L427-Q731 HydrophobicContact CD1-CG 3.8Å; L427-Q731 HydrophobicContact CD2-CG 3.82Å; L427-Q731 HydrophobicContact CG-CG 4.5Å; L427-I734 HydrophobicContact CB-CD1 4.26Å; L427-I734 HydrophobicContact CD2-CD1 3.9Å
428E89.8Confident89.2Confident136 Ų13674.9 Ų74.964%0.63636%0.362SS*.Hα-helixtrans-60.8-42.7175.9-71.8178.3178.400112.1Q424 T425 M431 S432Q424-E428 PolarHBondContact O-N 2.87Å; T425-E428 PolarHBondContact O-N 3.46Å; E428-M431 PolarHBondContact O-N 2.82Å; E428-S432 WeakPolarHBondContact O-CB 3.23Å; E428-S432 PolarHBondContact O-N 3.35Å
429E89.3Confident89.2Confident119 Ų11977 Ų7756%0.55637%0.367SS*.Hα-helixtrans-61.2-45175.1-74178.1165.200112T425 H426 L427 R433T425-E429 WeakPolarHBondContact O-CG 3.3Å; T425-E429 PolarHBondContact O-N 3.24Å; H426-E429 IonicContact ND1-OE2 2.87Å; H426-E429 PolarHBondContact ND1-OE2 3.34Å; H426-E429 PolarHBondContact O-N 3.1Å; L427-E429 PolarHBondContact O-N 3.32Å; E429-R433 VanDerWaalsContact O-CB 3.29Å; E429-R433 WeakPolarHBondContact O-CB 3.26Å; E429-R433 PolarHBondContact O-N 3.09Å
430F88.9Confident89.2Confident60 Ų6080.6 Ų80.626%0.26337%0.374SS..Hα-helixtrans-67.4-36.6177.7-68.4-43.6000112.3H426 L427 R433 A434 L722 T726 I727H426-F430 HydrophobicContact CB-CD2 4.49Å; H426-F430 HydrophobicContact CB-CE2 4.13Å; H426-F430 WeakPolarHBondContact O-CB 3.27Å; H426-F430 WeakPolarHBondContact O-CD2 3.47Å; H426-F430 VanDerWaalsContact O-CG 3.28Å; H426-F430 WeakPolarHBondContact O-CG 3.49Å; H426-F430 PolarHBondContact O-N 3.48Å; L427-F430 PolarHBondContact O-N 3.5Å; F430-R433 PolarHBondContact O-N 2.78Å; F430-A434 WeakPolarHBondContact O-CB 3.21Å; F430-A434 PolarHBondContact O-N 2.85Å; F430-L722 HydrophobicContact CB-CD2 4.22Å; F430-L722 HydrophobicContact CD1-CD2 3.98Å; F430-L722 HydrophobicContact CG-CD2 4.35Å; F430-T726 HydrophobicContact CD2-CG2 4.18Å; F430-T726 HydrophobicContact CE2-CG2 4.13Å; F430-T726 HydrophobicContact CG-CG2 4.42Å; F430-T726 HydrophobicContact CZ-CG2 4.31Å; F430-I727 HydrophobicContact CB-CG1 4.12Å
431M89.3Confident89.2Confident85 Ų8581.1 Ų81.142%0.41938%0.379SS..Hα-helixtrans-65.7-49.3174.4-74.1-178.563.800111.4L427 E428 R433 A434 E435 I727L427-M431 HydrophobicContact CD1-CG 4.43Å; L427-M431 HydrophobicContact CD1-SD 4.37Å; L427-M431 HydrophobicContact CG-SD 4.16Å; L427-M431 WeakPolarHBondContact O-CB 3.36Å; L427-M431 VanDerWaalsContact O-CG 3.28Å; L427-M431 WeakPolarHBondContact O-CG 3.46Å; L427-M431 PolarHBondContact O-N 2.85Å; E428-M431 PolarHBondContact O-N 2.82Å; M431-R433 VanDerWaalsContact C-N 3.25Å; M431-R433 PolarHBondContact O-N 3.01Å; M431-A434 WeakPolarHBondContact O-CB 3.34Å; M431-A434 PolarHBondContact O-N 3.33Å; M431-E435 PolarHBondContact O-N 3.45Å; M431-I727 HydrophobicContact CG-CD1 4.16Å
432S89.7Confident89.2Confident45 Ų4580.3 Ų80.332%0.31538%0.38SS..Hα-helixtrans-59.8-36.8175.7-177.90000112.1E428 K436E428-S432 WeakPolarHBondContact O-CB 3.23Å; E428-S432 PolarHBondContact O-N 3.35Å; S432-K436 WeakPolarHBondContact O-CG 3.49Å; S432-K436 PolarHBondContact O-N 2.84Å; S432-K436 VanDerWaalsContact O-N 3.11Å
433R89.4Confident89.3Confident141 Ų14182.7 Ų82.753%0.53239%0.387SS..Hα-helixtrans-67.1-40.9174.6-176174.5177.3176.7-2.8112E429 F430 M431 K436 L437 L722E429-R433 VanDerWaalsContact O-CB 3.29Å; E429-R433 WeakPolarHBondContact O-CB 3.26Å; E429-R433 PolarHBondContact O-N 3.09Å; F430-R433 PolarHBondContact O-N 2.78Å; M431-R433 VanDerWaalsContact C-N 3.25Å; M431-R433 PolarHBondContact O-N 3.01Å; R433-K436 PolarHBondContact O-N 3.45Å; R433-L437 HydrophobicContact CG-CD1 4.13Å; R433-L437 WeakPolarHBondContact O-CB 3.4Å; R433-L437 VanDerWaalsContact O-CG 3.29Å; R433-L437 WeakPolarHBondContact O-CG 3.26Å; R433-L437 PolarHBondContact O-N 2.92Å; R433-L722 HydrophobicContact CG-CD1 4.36Å
434A90.7Very high89.2Confident4 Ų481.4 Ų81.43%0.03338%0.381CS..Hα-helixtrans-62.7-42.9176.900000111.5F430 M431 L437 E438 I727F430-A434 WeakPolarHBondContact O-CB 3.21Å; F430-A434 PolarHBondContact O-N 2.85Å; M431-A434 WeakPolarHBondContact O-CB 3.34Å; M431-A434 PolarHBondContact O-N 3.33Å; A434-L437 PolarHBondContact O-N 2.87Å; A434-E438 WeakPolarHBondContact O-CB 3.29Å; A434-E438 PolarHBondContact O-N 3.35Å; A434-I727 HydrophobicContact CB-CD1 4.22Å
435E90.3Very high89.3Confident113 Ų11383.3 Ų83.353%0.52839%0.388SS..Hα-helixtrans-60.7-47.5175.4-71.4174.6171.600112.1M431 L437 E438 E439M431-E435 PolarHBondContact O-N 3.45Å; E435-L437 VanDerWaalsContact C-N 3.31Å; E435-L437 PolarHBondContact O-N 3.04Å; E435-E438 WeakPolarHBondContact O-CB 3.5Å; E435-E438 PolarHBondContact O-N 3.47Å; E435-E439 PolarHBondContact O-N 3.29Å
436K90.1Very high89.3Confident139 Ų13986.2 Ų86.260%0.60440%0.395SS*.Hα-helixtrans-61-39177-72.4171.7-174.11670112.5S432 R433 E438 Y440S432-K436 WeakPolarHBondContact O-CG 3.49Å; S432-K436 PolarHBondContact O-N 2.84Å; S432-K436 VanDerWaalsContact O-N 3.11Å; R433-K436 PolarHBondContact O-N 3.45Å; K436-E438 VanDerWaalsContact C-N 3.32Å; K436-Y440 WeakPolarHBondContact O-CB 3.34Å; K436-Y440 PolarHBondContact O-N 3.46Å
437L88.4Confident89.4Confident31 Ų3185 Ų8516%0.16240%0.396CS..Hα-helixtrans-68.7-32.3175.6-72171.1000111.7R433 A434 E435 Y440 T441 T715 L719 L722R433-L437 HydrophobicContact CG-CD1 4.13Å; R433-L437 WeakPolarHBondContact O-CB 3.4Å; R433-L437 VanDerWaalsContact O-CG 3.29Å; R433-L437 WeakPolarHBondContact O-CG 3.26Å; R433-L437 PolarHBondContact O-N 2.92Å; A434-L437 PolarHBondContact O-N 2.87Å; E435-L437 VanDerWaalsContact C-N 3.31Å; E435-L437 PolarHBondContact O-N 3.04Å; L437-Y440 PolarHBondContact O-N 3.44Å; L437-T441 WeakPolarHBondContact O-CB 3.44Å; L437-T441 PolarHBondContact O-N 3.07Å; L437-T441 PolarHBondContact O-OG1 2.89Å; L437-T715 HydrophobicContact CB-CG2 4.22Å; L437-T715 HydrophobicContact CD2-CG2 3.71Å; L437-L719 HydrophobicContact CB-CB 4.41Å; L437-L719 HydrophobicContact CB-CD1 4.09Å; L437-L722 HydrophobicContact CD1-CD1 3.51Å
438E90.1Very high89.5Confident79 Ų7985.2 Ų85.237%0.36940%0.397SS..Hα-helixtrans-68.6-47.8176.3-161.2160.9-144.700111.2A434 E435 K436 Y440 T441 Q442 L719 R723A434-E438 WeakPolarHBondContact O-CB 3.29Å; A434-E438 PolarHBondContact O-N 3.35Å; E435-E438 WeakPolarHBondContact O-CB 3.5Å; E435-E438 PolarHBondContact O-N 3.47Å; K436-E438 VanDerWaalsContact C-N 3.32Å; E438-Y440 VanDerWaalsContact C-N 3.29Å; E438-Y440 PolarHBondContact O-N 2.69Å; E438-T441 WeakPolarHBondContact O-CB 3.47Å; E438-T441 PolarHBondContact O-N 3Å; E438-Q442 PolarHBondContact O-N 3.28Å; E438-L719 VanDerWaalsContact CA-CD1 3.48Å; E438-L719 HydrophobicContact CB-CD1 3.61Å; E438-L719 HydrophobicContact CG-CD1 4.1Å; E438-R723 VanDerWaalsContact CD-NH2 3.34Å; E438-R723 IonicContact OE1-CZ 2.73Å; E438-R723 IonicContact OE1-NH1 3.41Å; E438-R723 PolarHBondContact OE1-NH1 3.2Å; E438-R723 IonicContact OE1-NH2 3.6Å; E438-R723 PolarHBondContact OE1-NH2 2.99Å; E438-R723 IonicContact OE2-CZ 3.07Å; E438-R723 IonicContact OE2-NH1 2.85Å; E438-R723 IonicContact OE2-NH2 2.84Å; E438-R723 PolarHBondContact OE2-NH2 2.95Å
439E89.9Confident89.5Confident112 Ų11283.2 Ų83.252%0.52339%0.387SS..Hα-helixtrans-57.8-43.3173-72.4-173.6-176.800111.8E435 Q442 K443E435-E439 PolarHBondContact O-N 3.29Å; E439-Q442 PolarHBondContact O-N 2.79Å; E439-K443 WeakPolarHBondContact O-CG 3.49Å; E439-K443 PolarHBondContact O-N 2.93Å
440Y87.8Confident89.5Confident107 Ų10782 Ų8242%0.4239%0.385SS..Hα-helixtrans-65-41.5177.6-171.5-106000111.6K436 L437 E438 Q442 K443 C444 T715K436-Y440 WeakPolarHBondContact O-CB 3.34Å; K436-Y440 PolarHBondContact O-N 3.46Å; L437-Y440 PolarHBondContact O-N 3.44Å; E438-Y440 VanDerWaalsContact C-N 3.29Å; E438-Y440 PolarHBondContact O-N 2.69Å; Y440-Q442 VanDerWaalsContact C-N 3.29Å; Y440-Q442 PolarHBondContact O-N 2.89Å; Y440-K443 PolarHBondContact O-N 3.18Å; Y440-C444 VanDerWaalsContact CE1-SG 3.58Å; Y440-C444 PolarHBondContact O-N 3.43Å; Y440-C444 PolarHBondContact O-SG 3.46Å; Y440-T715 HydrophobicContact CD1-CG2 3.82Å
441T89.4Confident89.6Confident24 Ų2480 Ų8015%0.14738%0.377CS..Hα-helixtrans-60-41.1174.8-57.90000110.9L437 E438 C444 K445 M712 T715L437-T441 WeakPolarHBondContact O-CB 3.44Å; L437-T441 PolarHBondContact O-N 3.07Å; L437-T441 PolarHBondContact O-OG1 2.89Å; E438-T441 WeakPolarHBondContact O-CB 3.47Å; E438-T441 PolarHBondContact O-N 3Å; T441-C444 PolarHBondContact O-N 2.96Å; T441-K445 WeakPolarHBondContact O-CB 3.41Å; T441-K445 PolarHBondContact O-N 3.09Å; T441-M712 HydrophobicContact CG2-CG 4.17Å; T441-T715 WeakPolarHBondContact OG1-CG2 3.34Å
442Q89.8Confident89.5Confident122 Ų12278.9 Ų78.957%0.5737%0.372SS*.Hα-helixtrans-68.5-38.6178-158.8177.516.300112.5E438 E439 Y440 K445 K446E438-Q442 PolarHBondContact O-N 3.28Å; E439-Q442 PolarHBondContact O-N 2.79Å; Y440-Q442 VanDerWaalsContact C-N 3.29Å; Y440-Q442 PolarHBondContact O-N 2.89Å; Q442-K445 PolarHBondContact O-N 3.2Å; Q442-K446 PolarHBondContact O-N 2.77Å; Q442-K446 VanDerWaalsContact O-N 3.1Å
443K89.5Confident89.6Confident135 Ų13583.1 Ų83.159%0.58739%0.387SS*.Hα-helixtrans-63.7-45.6172.7-73.3172.7-175.1168.10111.8E439 Y440 K445 K446 S447E439-K443 WeakPolarHBondContact O-CG 3.49Å; E439-K443 PolarHBondContact O-N 2.93Å; Y440-K443 PolarHBondContact O-N 3.18Å; K443-K445 VanDerWaalsContact C-N 3.29Å; K443-K445 PolarHBondContact O-N 3.05Å; K443-K446 PolarHBondContact O-N 3.06Å; K443-S447 PolarHBondContact O-N 2.83Å
444C86.6Confident89.5Confident12 Ų1281.3 Ų81.38%0.08139%0.385CS..Hα-helixtrans-61.9-38.5175.5-72.70000111.9Y440 T441 S447 L448 M712Y440-C444 VanDerWaalsContact CE1-SG 3.58Å; Y440-C444 PolarHBondContact O-N 3.43Å; Y440-C444 PolarHBondContact O-SG 3.46Å; T441-C444 PolarHBondContact O-N 2.96Å; C444-S447 PolarHBondContact O-N 2.81Å; C444-L448 WeakPolarHBondContact O-CB 3.31Å; C444-L448 PolarHBondContact O-N 2.76Å; C444-M712 HydrophobicContact CB-CB 4.26Å; C444-M712 HydrophobicContact CB-CG 4.47Å
445K90.2Very high89.4Confident114 Ų11483 Ų8350%0.49639%0.392SS..Hα-helixtrans-61.5-48.9176.4-171.1-175.8178-162.50112T441 Q442 K443 S447 L448 E449 M712T441-K445 WeakPolarHBondContact O-CB 3.41Å; T441-K445 PolarHBondContact O-N 3.09Å; Q442-K445 PolarHBondContact O-N 3.2Å; K443-K445 VanDerWaalsContact C-N 3.29Å; K443-K445 PolarHBondContact O-N 3.05Å; K445-S447 PolarHBondContact O-N 3.44Å; K445-L448 WeakPolarHBondContact O-CB 3.07Å; K445-L448 PolarHBondContact O-N 3.09Å; K445-L448 VanDerWaalsContact O-N 3.12Å; K445-E449 WeakPolarHBondContact CE-OE1 3.21Å; K445-E449 IonicContact NZ-OE1 3.38Å; K445-E449 WeakPolarHBondContact O-CG 3.39Å; K445-E449 PolarHBondContact O-N 3.08Å; K445-M712 HydrophobicContact CB-SD 4.21Å
446K90Very high89.3Confident127 Ų12783.4 Ų83.455%0.55239%0.394SS*.Hα-helixtrans-59.6-46.8176.7-71.9-177.1178.1-175.40112.2Q442 K443 L448 E449 D450Q442-K446 PolarHBondContact O-N 2.77Å; Q442-K446 VanDerWaalsContact O-N 3.1Å; K443-K446 PolarHBondContact O-N 3.06Å; K446-L448 PolarHBondContact O-N 3.37Å; K446-E449 PolarHBondContact O-N 2.84Å; K446-D450 PolarHBondContact O-N 2.75Å
447S88.5Confident89.3Confident56 Ų5680 Ų8039%0.39239%0.387SS..Hα-helixtrans-61-29.6176.9-178.90000112.8K443 C444 K445 L451K443-S447 PolarHBondContact O-N 2.83Å; C444-S447 PolarHBondContact O-N 2.81Å; K445-S447 PolarHBondContact O-N 3.44Å; S447-L451 WeakPolarHBondContact O-CB 3.28Å; S447-L451 WeakPolarHBondContact O-CD1 3.24Å; S447-L451 WeakPolarHBondContact O-CG 3.33Å; S447-L451 PolarHBondContact O-N 3.45Å; S447-L451 VanDerWaalsContact O-N 3.16Å
448L91Very high89.2Confident29 Ų2979.5 Ų79.515%0.15239%0.385CS..Hα-helixtrans-77.2-38.4178.5-157147.2000111.2C444 K445 K446 L451 D452 A708 Q709C444-L448 WeakPolarHBondContact O-CB 3.31Å; C444-L448 PolarHBondContact O-N 2.76Å; K445-L448 WeakPolarHBondContact O-CB 3.07Å; K445-L448 PolarHBondContact O-N 3.09Å; K445-L448 VanDerWaalsContact O-N 3.12Å; K446-L448 PolarHBondContact O-N 3.37Å; L448-L451 PolarHBondContact O-N 3.36Å; L448-D452 WeakPolarHBondContact O-CB 3.28Å; L448-D452 PolarHBondContact O-N 2.88Å; L448-A708 HydrophobicContact CD1-CB 4.23Å; L448-Q709 VanDerWaalsContact CD1-CA 3.4Å; L448-Q709 HydrophobicContact CD1-CB 3.67Å; L448-Q709 HydrophobicContact CD1-CG 4.05Å
449E90.2Very high89.1Confident93 Ų9377.8 Ų77.844%0.43538%0.38SS..Hα-helixtrans-60-47.9171.3-70.1165.4179.900110.7K445 K446 L451 D452 E453K445-E449 WeakPolarHBondContact CE-OE1 3.21Å; K445-E449 IonicContact NZ-OE1 3.38Å; K445-E449 WeakPolarHBondContact O-CG 3.39Å; K445-E449 PolarHBondContact O-N 3.08Å; K446-E449 PolarHBondContact O-N 2.84Å; E449-L451 PolarHBondContact O-N 3.23Å; E449-D452 PolarHBondContact O-N 3.23Å; E449-E453 PolarHBondContact O-N 3.47Å
450D90.2Very high89Confident94 Ų9475 Ų7550%0.50338%0.377SS..Hα-helixtrans-60.4-42.7177.4-64.5-26.8000112.4K446 Q454K446-D450 PolarHBondContact O-N 2.75Å; D450-Q454 VanDerWaalsContact O-CG 3.31Å; D450-Q454 WeakPolarHBondContact O-CG 3.45Å; D450-Q454 PolarHBondContact O-N 3.47Å; D450-Q454 VanDerWaalsContact O-N 3.14Å
451L89.8Confident88.9Confident19 Ų1974.5 Ų74.510%0.09938%0.378CS..Hα-helixtrans-69-34.6178.8-75.4169.1000112.1S447 L448 E449 Q454 Q455 I701 E704S447-L451 WeakPolarHBondContact O-CB 3.28Å; S447-L451 WeakPolarHBondContact O-CD1 3.24Å; S447-L451 WeakPolarHBondContact O-CG 3.33Å; S447-L451 PolarHBondContact O-N 3.45Å; S447-L451 VanDerWaalsContact O-N 3.16Å; L448-L451 PolarHBondContact O-N 3.36Å; E449-L451 PolarHBondContact O-N 3.23Å; L451-Q454 PolarHBondContact O-N 3.11Å; L451-Q455 WeakPolarHBondContact O-CB 3.43Å; L451-Q455 PolarHBondContact O-N 3.23Å; L451-I701 HydrophobicContact CD2-CG2 4.19Å; L451-E704 HydrophobicContact CD1-CB 4.29Å
452D88.6Confident88.8Confident60 Ų6074.3 Ų74.332%0.32138%0.376SS..Hα-helixtrans-72-38.1179-154.830.4000111.2L448 E449 Q455 Q456L448-D452 WeakPolarHBondContact O-CB 3.28Å; L448-D452 PolarHBondContact O-N 2.88Å; E449-D452 PolarHBondContact O-N 3.23Å; D452-Q455 WeakPolarHBondContact O-CB 3.38Å; D452-Q455 PolarHBondContact O-N 3.49Å; D452-Q456 WeakPolarHBondContact O-CB 3.43Å; D452-Q456 VanDerWaalsContact O-CG 3.27Å; D452-Q456 WeakPolarHBondContact O-CG 3.27Å; D452-Q456 PolarHBondContact O-N 2.97Å
453E90.8Very high88.6Confident134 Ų13474.4 Ų74.463%0.62638%0.376SS*.Hα-helixtrans-61.8-42.8170.9-72.6-175179.700112.1E449 Q456 S457E449-E453 PolarHBondContact O-N 3.47Å; E453-Q456 PolarHBondContact O-N 3.35Å; E453-S457 WeakPolarHBondContact O-CB 3.44Å; E453-S457 PolarHBondContact O-N 3.27Å; E453-S457 PolarHBondContact O-OG 3.06Å
454Q87.7Confident88.5Confident103 Ų10374.1 Ų74.148%0.48138%0.377SS..Hα-helixtrans-65.1-39.7174.8-72.1178.310.900112.1D450 L451 S457 L458 I701D450-Q454 VanDerWaalsContact O-CG 3.31Å; D450-Q454 WeakPolarHBondContact O-CG 3.45Å; D450-Q454 PolarHBondContact O-N 3.47Å; D450-Q454 VanDerWaalsContact O-N 3.14Å; L451-Q454 PolarHBondContact O-N 3.11Å; Q454-S457 WeakPolarHBondContact CA-OG 3.47Å; Q454-S457 PolarHBondContact O-OG 3.3Å; Q454-L458 VanDerWaalsContact O-CB 3.26Å; Q454-L458 WeakPolarHBondContact O-CB 3.33Å; Q454-L458 PolarHBondContact O-N 3.48Å; Q454-L458 VanDerWaalsContact O-N 3.07Å; Q454-I701 HydrophobicContact CB-CD1 4.33Å
455Q89.3Confident88.5Confident41 Ų4174.1 Ų74.119%0.19238%0.377CS..Hα-helixtrans-62.4-47.5175.7-174.8-171.9-44.600111.1L451 D452 L458 T459 L698 I701 L702L451-Q455 WeakPolarHBondContact O-CB 3.43Å; L451-Q455 PolarHBondContact O-N 3.23Å; D452-Q455 WeakPolarHBondContact O-CB 3.38Å; D452-Q455 PolarHBondContact O-N 3.49Å; Q455-L458 PolarHBondContact O-N 3.43Å; Q455-T459 VanDerWaalsContact O-CB 3.25Å; Q455-T459 WeakPolarHBondContact O-CB 3.41Å; Q455-T459 PolarHBondContact O-N 2.69Å; Q455-T459 PolarHBondContact O-OG1 3.02Å; Q455-L698 HydrophobicContact CG-CD1 3.85Å; Q455-I701 HydrophobicContact CB-CG2 4.07Å; Q455-L702 HydrophobicContact CG-CD2 4.41Å; Q455-L702 HydrophobicContact CG-CG 4.48Å
456Q87.9Confident88.2Confident120 Ų12071.5 Ų71.556%0.56137%0.37SS*.Hα-helixtrans-64.4-46.3-178.1-72.4175.121.700111.8D452 E453 T459 A460D452-Q456 WeakPolarHBondContact O-CB 3.43Å; D452-Q456 VanDerWaalsContact O-CG 3.27Å; D452-Q456 WeakPolarHBondContact O-CG 3.27Å; D452-Q456 PolarHBondContact O-N 2.97Å; E453-Q456 PolarHBondContact O-N 3.35Å; Q456-T459 PolarHBondContact O-N 3.48Å; Q456-A460 WeakPolarHBondContact O-CB 3.47Å; Q456-A460 PolarHBondContact O-N 3.05Å
457S88.8Confident88.1Confident67 Ų6771.1 Ų71.147%0.46937%0.37SS..Hα-helixtrans-61.5-45.6177.5550000112.4E453 Q454 A460 E461E453-S457 WeakPolarHBondContact O-CB 3.44Å; E453-S457 PolarHBondContact O-N 3.27Å; E453-S457 PolarHBondContact O-OG 3.06Å; Q454-S457 WeakPolarHBondContact CA-OG 3.47Å; Q454-S457 PolarHBondContact O-OG 3.3Å; S457-A460 PolarHBondContact O-N 3.03Å; S457-E461 PolarHBondContact O-N 2.96Å
458L86.9Confident88.1Confident22 Ų2272.2 Ų72.212%0.11537%0.366CS..Hα-helixtrans-70.4-33.4-179.7-159.870.1000112.5Q454 Q455 L462 K694 N697 L698 I701Q454-L458 VanDerWaalsContact O-CB 3.26Å; Q454-L458 WeakPolarHBondContact O-CB 3.33Å; Q454-L458 PolarHBondContact O-N 3.48Å; Q454-L458 VanDerWaalsContact O-N 3.07Å; Q455-L458 PolarHBondContact O-N 3.43Å; L458-L462 WeakPolarHBondContact O-CB 3.42Å; L458-L462 WeakPolarHBondContact O-CG 3.34Å; L458-L462 PolarHBondContact O-N 3.33Å; L458-K694 HydrophobicContact CD1-CB 4.27Å; L458-K694 HydrophobicContact CD1-CD 4.1Å; L458-N697 HydrophobicContact CD2-CB 4.16Å; L458-L698 HydrophobicContact CB-CD1 4.36Å; L458-L698 HydrophobicContact CD2-CB 3.82Å; L458-L698 HydrophobicContact CD2-CD1 4.34Å; L458-I701 HydrophobicContact CD2-CD1 4.08Å
459T88.1Confident87.9Confident42 Ų4271.6 Ų71.626%0.25837%0.367SS..Hα-helixtrans-66.2-43.7174.1-57.10000111Q455 Q456 L462 Q463 L698Q455-T459 VanDerWaalsContact O-CB 3.25Å; Q455-T459 WeakPolarHBondContact O-CB 3.41Å; Q455-T459 PolarHBondContact O-N 2.69Å; Q455-T459 PolarHBondContact O-OG1 3.02Å; Q456-T459 PolarHBondContact O-N 3.48Å; T459-L462 PolarHBondContact O-N 2.89Å; T459-Q463 WeakPolarHBondContact O-CB 3.41Å; T459-Q463 WeakPolarHBondContact O-CG 2.95Å; T459-Q463 PolarHBondContact O-N 3.21Å; T459-L698 WeakPolarHBondContact OG1-CD1 3.4Å
460A88.2Confident87.7Confident55 Ų5573.3 Ų73.346%0.45538%0.375SS..Hα-helixtrans-63-42.8175.900000111.9Q456 S457 L462 Q463 H464Q456-A460 WeakPolarHBondContact O-CB 3.47Å; Q456-A460 PolarHBondContact O-N 3.05Å; S457-A460 PolarHBondContact O-N 3.03Å; A460-L462 PolarHBondContact O-N 3.04Å; A460-Q463 PolarHBondContact O-N 3.1Å; A460-H464 PolarHBondContact O-N 3.04Å
461E86.3Confident87.6Confident95 Ų9572.5 Ų72.544%0.44437%0.368SS..Hα-helixtrans-58.6-45.9173.4-78.4-171.9-173.600111.9S457 H464 V465 K694S457-E461 PolarHBondContact O-N 2.96Å; E461-H464 PolarHBondContact O-N 2.78Å; E461-V465 VanDerWaalsContact O-CG2 3.29Å; E461-V465 WeakPolarHBondContact O-CG2 3.47Å; E461-V465 PolarHBondContact O-N 2.68Å; E461-K694 IonicContact OE2-NZ 3.78Å; E461-K694 PolarHBondContact OE2-NZ 3.3Å
462L86.6Confident87.5Confident20 Ų2071.7 Ų71.711%0.10536%0.364CS..Hα-helixtrans-67.9-39-178.9-76.1167.8000112.5L458 T459 A460 V465 T466 E695 L698L458-L462 WeakPolarHBondContact O-CB 3.42Å; L458-L462 WeakPolarHBondContact O-CG 3.34Å; L458-L462 PolarHBondContact O-N 3.33Å; T459-L462 PolarHBondContact O-N 2.89Å; A460-L462 PolarHBondContact O-N 3.04Å; L462-V465 PolarHBondContact O-N 3.38Å; L462-T466 PolarHBondContact O-N 3.46Å; L462-T466 PolarHBondContact O-OG1 3.44Å; L462-T466 VanDerWaalsContact O-OG1 3.05Å; L462-E695 HydrophobicContact CD1-CB 4.24Å; L462-E695 HydrophobicContact CD2-CB 4.38Å; L462-L698 HydrophobicContact CD1-CB 4.1Å; L462-L698 HydrophobicContact CD1-CD2 3.78Å
463Q85.7Confident87.3Confident125 Ų12574.8 Ų74.858%0.58437%0.374SS*.Hα-helixtrans-61-45.3174.5-76.7178.1-6.200111.5T459 A460 V465 T466 Q467T459-Q463 WeakPolarHBondContact O-CB 3.41Å; T459-Q463 WeakPolarHBondContact O-CG 2.95Å; T459-Q463 PolarHBondContact O-N 3.21Å; A460-Q463 PolarHBondContact O-N 3.1Å; Q463-V465 PolarHBondContact O-N 3.08Å; Q463-T466 VanDerWaalsContact CA-OG1 3.29Å; Q463-T466 WeakPolarHBondContact CA-OG1 2.97Å; Q463-T466 PolarHBondContact O-N 2.99Å; Q463-T466 PolarHBondContact O-OG1 3.44Å; Q463-Q467 PolarHBondContact O-N 3.44Å
464H87.7Confident87.2Confident129 Ų12974.5 Ų74.560%0.59737%0.373SS*.Hα-helixtrans-62-42.5175.1-175.8-88.2000111.9A460 E461 T466 Q467 R468A460-H464 PolarHBondContact O-N 3.04Å; E461-H464 PolarHBondContact O-N 2.78Å; H464-T466 PolarHBondContact O-N 2.68Å; H464-Q467 PolarHBondContact O-N 3Å; H464-R468 WeakPolarHBondContact O-CB 3.42Å; H464-R468 PolarHBondContact O-N 3.42Å
465V86.6Confident87.2Confident12 Ų1272.7 Ų72.77%0.07336%0.364CS..Hα-helixtrans-63.4-38.4175.7166.10000112.1E461 L462 Q463 G469 L688 L691 K692E461-V465 VanDerWaalsContact O-CG2 3.29Å; E461-V465 WeakPolarHBondContact O-CG2 3.47Å; E461-V465 PolarHBondContact O-N 2.68Å; L462-V465 PolarHBondContact O-N 3.38Å; Q463-V465 PolarHBondContact O-N 3.08Å; V465-G469 PolarHBondContact O-N 3.17Å; V465-L688 HydrophobicContact CB-CD2 4.4Å; V465-L688 HydrophobicContact CG1-CB 4.35Å; V465-L688 HydrophobicContact CG1-CD2 4.05Å; V465-L688 HydrophobicContact CG2-CD2 4.1Å; V465-L691 HydrophobicContact CG1-CB 4.39Å; V465-L691 HydrophobicContact CG2-CB 4.11Å; V465-L691 HydrophobicContact CG2-CD1 4.35Å; V465-K692 HydrophobicContact CG1-CG 3.79Å
466T83.9Confident87.1Confident59 Ų5972.1 Ų72.136%0.36236%0.362SS..Hα-helixtrans-67.3-45.917641.80000112.2L462 Q463 H464 G469 E470L462-T466 PolarHBondContact O-N 3.46Å; L462-T466 PolarHBondContact O-OG1 3.44Å; L462-T466 VanDerWaalsContact O-OG1 3.05Å; Q463-T466 VanDerWaalsContact CA-OG1 3.29Å; Q463-T466 WeakPolarHBondContact CA-OG1 2.97Å; Q463-T466 PolarHBondContact O-N 2.99Å; Q463-T466 PolarHBondContact O-OG1 3.44Å; H464-T466 PolarHBondContact O-N 2.68Å; T466-G469 PolarHBondContact O-N 3.13Å; T466-E470 PolarHBondContact O-N 3.01Å
467Q87.3Confident86.9Confident119 Ų11970.8 Ų70.856%0.55636%0.359SS*.Hα-helixtrans-62.9-48.4179.6-171.8171.98.800111.1Q463 H464 G469 E470 E471Q463-Q467 PolarHBondContact O-N 3.44Å; H464-Q467 PolarHBondContact O-N 3Å; Q467-G469 VanDerWaalsContact C-N 3.26Å; Q467-G469 PolarHBondContact O-N 3.09Å; Q467-E470 PolarHBondContact O-N 3.07Å; Q467-E470 VanDerWaalsContact O-N 3.11Å; Q467-E471 WeakPolarHBondContact O-CG 2.99Å; Q467-E471 PolarHBondContact O-N 2.85Å
468R88.6Confident86.7Confident79 Ų7973.3 Ų73.330%0.29836%0.364SS..Hα-helixtrans-62.8-33.9176.1-172.960-176.6152.28.4112.6H464 E470 E471 L472 E475 L688H464-R468 WeakPolarHBondContact O-CB 3.42Å; H464-R468 PolarHBondContact O-N 3.42Å; R468-E470 VanDerWaalsContact C-N 3.35Å; R468-E471 VanDerWaalsContact CD-OE2 3.28Å; R468-E471 WeakPolarHBondContact CD-OE2 3.33Å; R468-E471 IonicContact CZ-OE2 2.67Å; R468-E471 IonicContact NH1-OE2 2.68Å; R468-E471 PolarHBondContact NH1-OE2 3.09Å; R468-E471 PolarHBondContact O-N 3.04Å; R468-L472 HydrophobicContact CG-CD1 4.11Å; R468-L472 WeakPolarHBondContact O-CB 3.49Å; R468-L472 WeakPolarHBondContact O-CG 3.16Å; R468-L472 PolarHBondContact O-N 3.22Å; R468-E475 IonicContact NH1-OE1 3.97Å; R468-L688 HydrophobicContact CB-CD1 4.37Å; R468-L688 HydrophobicContact CG-CD1 4.03Å
469G86.6Confident86.7Confident16 Ų1672.7 Ų72.717%0.16536%0.361CS..Hα-helixtrans-66.2-33.8174.900000113.6V465 T466 Q467 K473V465-G469 PolarHBondContact O-N 3.17Å; T466-G469 PolarHBondContact O-N 3.13Å; Q467-G469 VanDerWaalsContact C-N 3.26Å; Q467-G469 PolarHBondContact O-N 3.09Å; G469-K473 WeakPolarHBondContact O-CB 3.1Å; G469-K473 PolarHBondContact O-N 3.15Å
470E85.6Confident86.3Confident129 Ų12974 Ų7460%0.60336%0.364SS*.Hα-helixtrans-72.6-42.3174.3-71.7178.6174.300111.9T466 Q467 R468 K473 Q474T466-E470 PolarHBondContact O-N 3.01Å; Q467-E470 PolarHBondContact O-N 3.07Å; Q467-E470 VanDerWaalsContact O-N 3.11Å; R468-E470 VanDerWaalsContact C-N 3.35Å; E470-K473 WeakPolarHBondContact O-CB 3.43Å; E470-K473 PolarHBondContact O-N 3.04Å; E470-Q474 WeakPolarHBondContact O-CG 3.44Å; E470-Q474 PolarHBondContact O-N 2.95Å
471E88.2Confident85.9Confident76 Ų7676.6 Ų76.636%0.35537%0.367SS..Hα-helixtrans-57-52.4173.4-69.4171.2-174.200111.5Q467 R468 K473 Q474 E475Q467-E471 WeakPolarHBondContact O-CG 2.99Å; Q467-E471 PolarHBondContact O-N 2.85Å; R468-E471 VanDerWaalsContact CD-OE2 3.28Å; R468-E471 WeakPolarHBondContact CD-OE2 3.33Å; R468-E471 IonicContact CZ-OE2 2.67Å; R468-E471 IonicContact NH1-OE2 2.68Å; R468-E471 PolarHBondContact NH1-OE2 3.09Å; R468-E471 PolarHBondContact O-N 3.04Å; E471-K473 PolarHBondContact O-N 3.22Å; E471-Q474 WeakPolarHBondContact O-CB 3.49Å; E471-Q474 PolarHBondContact O-N 3.36Å; E471-Q474 VanDerWaalsContact O-N 3.1Å; E471-E475 WeakPolarHBondContact O-CG 3.38Å; E471-E475 PolarHBondContact O-N 2.85Å
472L87.8Confident85.4Confident3 Ų376.8 Ų76.82%0.01637%0.368CS..Hα-helixtrans-60.8-32.7178.2-80.4162.7000112.8R468 L476 L681 E684 L688R468-L472 HydrophobicContact CG-CD1 4.11Å; R468-L472 WeakPolarHBondContact O-CB 3.49Å; R468-L472 WeakPolarHBondContact O-CG 3.16Å; R468-L472 PolarHBondContact O-N 3.22Å; L472-L476 VanDerWaalsContact O-CB 3.24Å; L472-L476 WeakPolarHBondContact O-CB 3.45Å; L472-L476 PolarHBondContact O-N 3.41Å; L472-L681 HydrophobicContact CD2-CD2 3.33Å; L472-E684 HydrophobicContact CD1-CB 4.15Å; L472-E684 HydrophobicContact CD2-CB 4.35Å; L472-L688 HydrophobicContact CD1-CD1 3.29Å
473K85.5Confident84.8Confident125 Ų12576 Ų7654%0.54336%0.364SS..Hα-helixtrans-68.8-42.3176.2-171.8-179.3177.3-172.70111.1G469 E470 E471 L476 D477G469-K473 WeakPolarHBondContact O-CB 3.1Å; G469-K473 PolarHBondContact O-N 3.15Å; E470-K473 WeakPolarHBondContact O-CB 3.43Å; E470-K473 PolarHBondContact O-N 3.04Å; E471-K473 PolarHBondContact O-N 3.22Å; K473-L476 PolarHBondContact O-N 3.34Å; K473-D477 WeakPolarHBondContact O-CB 3.46Å; K473-D477 VanDerWaalsContact O-CG 3.31Å; K473-D477 PolarHBondContact O-N 3.18Å
474Q87.8Confident83.9Confident128 Ų12876.4 Ų76.460%0.59836%0.36SS*.Hα-helixtrans-63.2-43.7174.3-69178.97.700111.5E470 E471 D477 Q478E470-Q474 WeakPolarHBondContact O-CG 3.44Å; E470-Q474 PolarHBondContact O-N 2.95Å; E471-Q474 WeakPolarHBondContact O-CB 3.49Å; E471-Q474 PolarHBondContact O-N 3.36Å; E471-Q474 VanDerWaalsContact O-N 3.1Å; Q474-D477 PolarHBondContact O-N 3.44Å; Q474-Q478 WeakPolarHBondContact O-CG 3.23Å; Q474-Q478 PolarHBondContact O-N 2.94Å
475E87.7Confident82.8Confident65 Ų6573.8 Ų73.830%0.30436%0.356SS..Hα-helixtrans-60.7-44.6174.8-70.1174.5-165.900111.3R468 E471 Q478 V479 L681R468-E475 IonicContact NH1-OE1 3.97Å; E471-E475 WeakPolarHBondContact O-CG 3.38Å; E471-E475 PolarHBondContact O-N 2.85Å; E475-Q478 PolarHBondContact O-N 3.47Å; E475-V479 VanDerWaalsContact O-CG2 3.3Å; E475-V479 WeakPolarHBondContact O-CG2 3.48Å; E475-V479 PolarHBondContact O-N 3.35Å; E475-L681 HydrophobicContact CB-CD1 4.15Å; E475-L681 HydrophobicContact CB-CD2 4.25Å; E475-L681 VanDerWaalsContact OE2-CD2 3.29Å; E475-L681 WeakPolarHBondContact OE2-CD2 3.33Å
476L88.3Confident81.7Confident28 Ų2875 Ų7515%0.14737%0.368CS..Hα-helixtrans-65.1-40.8178.2-174.569.6000112.1L472 K473 V479 M480 R678 L681 M682L472-L476 VanDerWaalsContact O-CB 3.24Å; L472-L476 WeakPolarHBondContact O-CB 3.45Å; L472-L476 PolarHBondContact O-N 3.41Å; K473-L476 PolarHBondContact O-N 3.34Å; L476-V479 PolarHBondContact O-N 2.91Å; L476-M480 HydrophobicContact CD1-CG 4.44Å; L476-M480 HydrophobicContact CG-CG 4.31Å; L476-M480 VanDerWaalsContact O-CB 3.22Å; L476-M480 WeakPolarHBondContact O-CB 3.3Å; L476-M480 WeakPolarHBondContact O-CG 3.25Å; L476-M480 PolarHBondContact O-N 3.08Å; L476-R678 HydrophobicContact CD1-CB 4.49Å; L476-R678 HydrophobicContact CD1-CG 3.79Å; L476-L681 HydrophobicContact CD1-CB 4.14Å; L476-L681 HydrophobicContact CD1-CD1 4.5Å; L476-M682 HydrophobicContact CD1-CG 4Å; L476-M682 HydrophobicContact CD2-CG 4.28Å
477D82.4Confident80.3Confident92 Ų9279 Ų7949%0.49238%0.376SS..Hα-helixtrans-64.8-39.9177.8-76.4-25.2000111.1K473 Q474 M480 E481K473-D477 WeakPolarHBondContact O-CB 3.46Å; K473-D477 VanDerWaalsContact O-CG 3.31Å; K473-D477 PolarHBondContact O-N 3.18Å; Q474-D477 PolarHBondContact O-N 3.44Å; D477-M480 PolarHBondContact O-N 3.41Å; D477-E481 WeakPolarHBondContact O-CB 3.45Å; D477-E481 PolarHBondContact O-N 3.18Å
478Q85.9Confident78.3Confident121 Ų12179.7 Ų79.757%0.56538%0.383SS*.Hα-helixtrans-61.2-50.9172.9-72.3173.416.200111.6Q474 E475 M480 E481 E482Q474-Q478 WeakPolarHBondContact O-CG 3.23Å; Q474-Q478 PolarHBondContact O-N 2.94Å; E475-Q478 PolarHBondContact O-N 3.47Å; Q478-M480 VanDerWaalsContact C-N 3.28Å; Q478-M480 PolarHBondContact O-N 3.18Å; Q478-E481 PolarHBondContact O-N 3.45Å; Q478-E482 WeakPolarHBondContact O-CG 3.06Å; Q478-E482 PolarHBondContact O-N 2.91Å
479V86.4Confident76.5Confident9 Ų980.9 Ų80.96%0.05540%0.395CS..Hα-helixtrans-63.2-35.2179174.40000111.8E475 L476 L483 L674 R678 L681E475-V479 VanDerWaalsContact O-CG2 3.3Å; E475-V479 WeakPolarHBondContact O-CG2 3.48Å; E475-V479 PolarHBondContact O-N 3.35Å; L476-V479 PolarHBondContact O-N 2.91Å; V479-L483 HydrophobicContact CG1-CD1 4.16Å; V479-L483 WeakPolarHBondContact O-CB 3.43Å; V479-L483 WeakPolarHBondContact O-CG 3.43Å; V479-L483 PolarHBondContact O-N 3.1Å; V479-L674 HydrophobicContact CG1-CB 4.49Å; V479-L674 HydrophobicContact CG1-CD2 4.3Å; V479-L674 WeakPolarHBondContact CG1-O 3.21Å; V479-R678 HydrophobicContact CG1-CB 3.93Å; V479-L681 HydrophobicContact CG2-CD1 4.08Å
480M78.6Confident75Confident68 Ų6882.5 Ų82.534%0.33540%0.404SS..Hα-helixtrans-70.3-36.8176.7-78.3-73.9-73.100112.2L476 D477 Q478 L483 R484 R678L476-M480 HydrophobicContact CD1-CG 4.44Å; L476-M480 HydrophobicContact CG-CG 4.31Å; L476-M480 VanDerWaalsContact O-CB 3.22Å; L476-M480 WeakPolarHBondContact O-CB 3.3Å; L476-M480 WeakPolarHBondContact O-CG 3.25Å; L476-M480 PolarHBondContact O-N 3.08Å; D477-M480 PolarHBondContact O-N 3.41Å; Q478-M480 VanDerWaalsContact C-N 3.28Å; Q478-M480 PolarHBondContact O-N 3.18Å; M480-L483 PolarHBondContact O-N 3.36Å; M480-R484 WeakPolarHBondContact O-CB 3.29Å; M480-R484 VanDerWaalsContact O-CG 3.28Å; M480-R484 WeakPolarHBondContact O-CG 3.44Å; M480-R484 PolarHBondContact O-N 3.02Å; M480-R678 HydrophobicContact SD-CG 4.39Å
481E79.6Confident73.1Confident111 Ų11185.4 Ų85.452%0.51942%0.417SS..Hα-helixtrans-69.4-41.3175.4-160.861.3-161.900111.1D477 Q478 L483 R484 S485D477-E481 WeakPolarHBondContact O-CB 3.45Å; D477-E481 PolarHBondContact O-N 3.18Å; Q478-E481 PolarHBondContact O-N 3.45Å; E481-L483 VanDerWaalsContact C-N 3.35Å; E481-L483 PolarHBondContact O-N 3.34Å; E481-R484 PolarHBondContact O-N 3.03Å; E481-R484 IonicContact OE2-NH1 3.33Å; E481-R484 PolarHBondContact OE2-NH1 3.35Å; E481-S485 PolarHBondContact O-N 3.13Å
482E76.9Confident71.3Confident98 Ų9888.1 Ų88.146%0.45843%0.43SS..Hα-helixtrans-59-44.5170.4-70.9179.8-176.800111.4Q478 R484 S485 A486 L674Q478-E482 WeakPolarHBondContact O-CG 3.06Å; Q478-E482 PolarHBondContact O-N 2.91Å; E482-R484 PolarHBondContact O-N 3.44Å; E482-S485 PolarHBondContact O-N 2.59Å; E482-S485 PolarHBondContact O-OG 2.78Å; E482-A486 PolarHBondContact O-N 3.05Å; E482-A486 VanDerWaalsContact O-N 3.09Å; E482-L674 HydrophobicContact CB-CD1 4.35Å; E482-L674 WeakPolarHBondContact OE2-CD2 3.4Å
483L73.9Confident69.8Low3 Ų391.6 Ų91.62%0.01645%0.451CS..Hα-helixtrans-65.6-34.2174.6-88.5163.9000113.5V479 M480 E481 A486 R487 V671 L674 K675 R678V479-L483 HydrophobicContact CG1-CD1 4.16Å; V479-L483 WeakPolarHBondContact O-CB 3.43Å; V479-L483 WeakPolarHBondContact O-CG 3.43Å; V479-L483 PolarHBondContact O-N 3.1Å; M480-L483 PolarHBondContact O-N 3.36Å; E481-L483 VanDerWaalsContact C-N 3.35Å; E481-L483 PolarHBondContact O-N 3.34Å; L483-A486 PolarHBondContact O-N 3.46Å; L483-R487 WeakPolarHBondContact O-CB 3.37Å; L483-R487 VanDerWaalsContact O-CG 3.25Å; L483-R487 WeakPolarHBondContact O-CG 3.38Å; L483-R487 PolarHBondContact O-N 3.39Å; L483-V671 HydrophobicContact CD2-CG1 4.23Å; L483-L674 HydrophobicContact CD2-CB 4.43Å; L483-L674 HydrophobicContact CG-CB 4.23Å; L483-K675 HydrophobicContact CD2-CG 4.03Å; L483-R678 HydrophobicContact CD1-CB 4.32Å
484R66.6Low68.5Low135 Ų13595.2 Ų95.251%0.50946%0.462SS..Hα-helixtrans-69.6-44.1176.5-80.8173.8-172.91652.1111.2M480 E481 E482 A486 R487 L488M480-R484 WeakPolarHBondContact O-CB 3.29Å; M480-R484 VanDerWaalsContact O-CG 3.28Å; M480-R484 WeakPolarHBondContact O-CG 3.44Å; M480-R484 PolarHBondContact O-N 3.02Å; E481-R484 PolarHBondContact O-N 3.03Å; E481-R484 IonicContact OE2-NH1 3.33Å; E481-R484 PolarHBondContact OE2-NH1 3.35Å; E482-R484 PolarHBondContact O-N 3.44Å; R484-A486 PolarHBondContact O-N 3.31Å; R484-R487 PolarHBondContact O-N 2.98Å; R484-L488 WeakPolarHBondContact O-CG 3.19Å; R484-L488 PolarHBondContact O-N 2.88Å
485S65.6Low67.2Low74 Ų7495.9 Ų95.952%0.51746%0.459SS..Hα-helixtrans-59.2-37.9174.476.50000111.5E481 E482E481-S485 PolarHBondContact O-N 3.13Å; E482-S485 PolarHBondContact O-N 2.59Å; E482-S485 PolarHBondContact O-OG 2.78Å
486A61.5Low65.9Low38 Ų3897 Ų9731%0.31446%0.464SS..Hα-helixtrans-72.2-25.2173.700000114E482 L483 R484 S490 V671E482-A486 PolarHBondContact O-N 3.05Å; E482-A486 VanDerWaalsContact O-N 3.09Å; L483-A486 PolarHBondContact O-N 3.46Å; R484-A486 PolarHBondContact O-N 3.31Å; A486-S490 PolarHBondContact O-OG 3.48Å; A486-V671 HydrophobicContact CB-CG2 4.29Å
487R54.5Low64.7Low143 Ų143100.8 Ų100.854%0.5448%0.481SS..Hα-helixtrans-88.7-31.1-178.6-80.9-179.7-170.2-165.95.6114.4L483 R484 D489 S490L483-R487 WeakPolarHBondContact O-CB 3.37Å; L483-R487 VanDerWaalsContact O-CG 3.25Å; L483-R487 WeakPolarHBondContact O-CG 3.38Å; L483-R487 PolarHBondContact O-N 3.39Å; R484-R487 PolarHBondContact O-N 2.98Å; R487-D489 PolarHBondContact O-N 3.04Å; R487-S490 WeakPolarHBondContact O-CB 3.35Å; R487-S490 PolarHBondContact O-N 3.22Å
488L46.9Very low63.9Low132 Ų132101.9 Ų101.969%0.69148%0.483SS*.Hα-helixtrans-63.6-22.4-176.6-78.9161000113.1R484R484-L488 WeakPolarHBondContact O-CG 3.19Å; R484-L488 PolarHBondContact O-N 2.88Å
489D50Low63.1Low105 Ų10599.4 Ų99.456%0.56147%0.468SS*.THydrogen-bonded Turntrans-91.94.1175.5-66.7-28.2000113.8R487 H491 R664R487-D489 PolarHBondContact O-N 3.04Å; D489-H491 PolarHBondContact O-N 2.97Å; D489-R664 IonicContact OD2-CZ 3.98Å; D489-R664 IonicContact OD2-NH1 2.72Å; D489-R664 PolarHBondContact OD2-NH1 2.8Å
490S54.4Low62.4Low49 Ų49103.3 Ų103.334%0.34348%0.482SS..  trans-96.832.3-172.2-66.90000115A486 R487 E492 T493A486-S490 PolarHBondContact O-OG 3.48Å; R487-S490 WeakPolarHBondContact O-CB 3.35Å; R487-S490 PolarHBondContact O-N 3.22Å; S490-E492 PolarHBondContact O-N 2.71Å; S490-T493 WeakPolarHBondContact O-CB 3.45Å; S490-T493 PolarHBondContact O-N 3.32Å; S490-T493 PolarHBondContact O-OG1 3.22Å
491H46.8Very low62.3Low190 Ų190104.3 Ų104.388%0.8849%0.486SS*.THydrogen-bonded Turntrans-64.2-3.3177.2-94-76.7000114.9D489D489-H491 PolarHBondContact O-N 2.97Å
492E50.3Low62.2Low133 Ų133100.2 Ų100.262%0.62147%0.467SS*.THydrogen-bonded Turntrans-87.22.3169.3-71.3-167.6155.200114.9S490 R494 R495 Q496S490-E492 PolarHBondContact O-N 2.71Å; E492-R494 PolarHBondContact O-N 3.26Å; E492-R495 PolarHBondContact O-N 3.25Å; E492-Q496 HydrophobicContact CB-CG 4.24Å; E492-Q496 PolarHBondContact O-N 2.94Å; E492-Q496 PolarHBondContact OE2-NE2 2.86Å
493T57.3Low62.2Low77 Ų7796.5 Ų96.547%0.47245%0.451SS..Hα-helixtrans-58.4-38.6-163.2110000115.4S490 R495 Q497S490-T493 WeakPolarHBondContact O-CB 3.45Å; S490-T493 PolarHBondContact O-N 3.32Å; S490-T493 PolarHBondContact O-OG1 3.22Å; T493-R495 PolarHBondContact O-N 3.2Å; T493-Q497 WeakPolarHBondContact O-CB 3.45Å; T493-Q497 PolarHBondContact O-N 3.33Å
494R56.7Low62.4Low201 Ų201101.4 Ų101.476%0.75847%0.473SS*.Hα-helixtrans-68.3-38.5-175.2-163.8174.8-176.6-176.20.3112.1E492 Q498E492-R494 PolarHBondContact O-N 3.26Å; R494-Q498 VanDerWaalsContact O-CG 3.3Å; R494-Q498 WeakPolarHBondContact O-CG 3.46Å; R494-Q498 PolarHBondContact O-N 3.09Å; R494-Q498 VanDerWaalsContact O-N 3.14Å
495R60Low63Low142 Ų14299.9 Ų99.954%0.53647%0.471SS..Hα-helixtrans-73.9-42179.7-164178.3-175.3179.53111E492 T493 R499 E564E492-R495 PolarHBondContact O-N 3.25Å; T493-R495 PolarHBondContact O-N 3.2Å; R495-R499 WeakPolarHBondContact O-CG 3.5Å; R495-R499 PolarHBondContact O-N 3.06Å; R495-R499 VanDerWaalsContact O-N 3.09Å; R495-E564 IonicContact CZ-OE1 2.89Å; R495-E564 IonicContact CZ-OE2 2.6Å; R495-E564 VanDerWaalsContact NE-CD 3.32Å; R495-E564 IonicContact NE-OE1 3.67Å; R495-E564 PolarHBondContact NE-OE1 3.32Å; R495-E564 IonicContact NE-OE2 3.83Å; R495-E564 PolarHBondContact NE-OE2 3.48Å; R495-E564 VanDerWaalsContact NH2-CD 3.31Å; R495-E564 IonicContact NH2-OE1 3.75Å; R495-E564 PolarHBondContact NH2-OE1 3.41Å; R495-E564 IonicContact NH2-OE2 3.45Å; R495-E564 PolarHBondContact NH2-OE2 3.22Å
496Q60.5Low63.7Low88 Ų8896.4 Ų96.441%0.41145%0.446SS..Hα-helixtrans-69.2-34.3176.2-68.3-173.50.600113.1E492 R499 R500E492-Q496 HydrophobicContact CB-CG 4.24Å; E492-Q496 PolarHBondContact O-N 2.94Å; E492-Q496 PolarHBondContact OE2-NE2 2.86Å; Q496-R499 PolarHBondContact O-N 3.22Å; Q496-R500 WeakPolarHBondContact O-CB 3.29Å; Q496-R500 PolarHBondContact O-N 2.82Å
497Q64.3Low64.5Low108 Ų108102.2 Ų102.251%0.50546%0.46SS..Hα-helixtrans-67.3-44.3175.1-175174.1-12.500111.4T493 R499 R500 E501T493-Q497 WeakPolarHBondContact O-CB 3.45Å; T493-Q497 PolarHBondContact O-N 3.33Å; Q497-R499 PolarHBondContact O-N 3.41Å; Q497-R500 PolarHBondContact O-N 3.13Å; Q497-R500 VanDerWaalsContact O-N 3.17Å; Q497-E501 PolarHBondContact NE2-OE1 3.15Å; Q497-E501 WeakPolarHBondContact O-CG 3.22Å; Q497-E501 PolarHBondContact O-N 3.08Å
498Q65.6Low65.8Low114 Ų114104.9 Ų104.953%0.53347%0.47SS..Hα-helixtrans-59.4-43.2173.7-76.2175.5-2200112.3R494 R500 E501 L502R494-Q498 VanDerWaalsContact O-CG 3.3Å; R494-Q498 WeakPolarHBondContact O-CG 3.46Å; R494-Q498 PolarHBondContact O-N 3.09Å; R494-Q498 VanDerWaalsContact O-N 3.14Å; Q498-R500 VanDerWaalsContact C-N 3.33Å; Q498-R500 PolarHBondContact O-N 2.81Å; Q498-E501 PolarHBondContact O-N 2.84Å; Q498-L502 VanDerWaalsContact O-CB 3.25Å; Q498-L502 WeakPolarHBondContact O-CB 3.4Å; Q498-L502 PolarHBondContact O-N 3.42Å
499R69.6Low67.3Low70 Ų70103.3 Ų103.326%0.26446%0.462SS..Hα-helixtrans-63.6-35.1175.3-72.1-177.7-174.9-170.95.1112.9R495 Q496 Q497 L503 E564 E566R495-R499 WeakPolarHBondContact O-CG 3.5Å; R495-R499 PolarHBondContact O-N 3.06Å; R495-R499 VanDerWaalsContact O-N 3.09Å; Q496-R499 PolarHBondContact O-N 3.22Å; Q497-R499 PolarHBondContact O-N 3.41Å; R499-L503 WeakPolarHBondContact O-CB 3.41Å; R499-L503 PolarHBondContact O-N 3.17Å; R499-E564 IonicContact CZ-OE2 3.55Å; R499-E564 VanDerWaalsContact CZ-OE2 3.24Å; R499-E564 IonicContact NE-OE2 3.3Å; R499-E564 PolarHBondContact NE-OE2 3.36Å; R499-E564 IonicContact NH2-OE2 2.78Å; R499-E564 PolarHBondContact NH2-OE2 3.48Å; R499-E566 WeakPolarHBondContact CD-OE1 3.45Å; R499-E566 IonicContact CZ-OE1 3.97Å; R499-E566 IonicContact NE-OE1 2.68Å; R499-E566 IonicContact NH1-OE1 3.48Å
500R71.4Confident68.8Low90 Ų90101.2 Ų101.234%0.3445%0.447SS..Hα-helixtrans-70.1-46.1176.9-169.7-176.4-58.4-136.7-6.4112Q496 Q497 Q498 L502 L503 E504 E668Q496-R500 WeakPolarHBondContact O-CB 3.29Å; Q496-R500 PolarHBondContact O-N 2.82Å; Q497-R500 PolarHBondContact O-N 3.13Å; Q497-R500 VanDerWaalsContact O-N 3.17Å; Q498-R500 VanDerWaalsContact C-N 3.33Å; Q498-R500 PolarHBondContact O-N 2.81Å; R500-L502 VanDerWaalsContact C-N 3.27Å; R500-L502 PolarHBondContact O-N 2.99Å; R500-L503 PolarHBondContact O-N 3.27Å; R500-E504 PolarHBondContact O-N 3.32Å; R500-E668 IonicContact CZ-OE1 2.69Å; R500-E668 IonicContact CZ-OE2 2.78Å; R500-E668 IonicContact NH1-OE2 2.9Å; R500-E668 PolarHBondContact NH1-OE2 3.18Å; R500-E668 IonicContact NH2-OE1 2.96Å; R500-E668 PolarHBondContact NH2-OE1 3.04Å; R500-E668 IonicContact NH2-OE2 3.25Å; R500-E668 PolarHBondContact NH2-OE2 3.24Å
501E77Confident69.8Low89 Ų89104 Ų10442%0.41646%0.464SS..Hα-helixtrans-61.4-38.5175.9-71.8172.9-167.300111.5Q497 Q498 E504 K505Q497-E501 PolarHBondContact NE2-OE1 3.15Å; Q497-E501 WeakPolarHBondContact O-CG 3.22Å; Q497-E501 PolarHBondContact O-N 3.08Å; Q498-E501 PolarHBondContact O-N 2.84Å; E501-E504 PolarHBondContact O-N 2.85Å; E501-K505 VanDerWaalsContact O-CG 3.3Å; E501-K505 WeakPolarHBondContact O-CG 3.49Å; E501-K505 PolarHBondContact O-N 2.91Å
502L75.8Confident71.2Confident25 Ų25100.5 Ų100.513%0.13145%0.447CS..Hα-helixtrans-65.1-42.1175-171.976.1000112.4Q498 R500 K505 L506 F557 L558 Q561 A563Q498-L502 VanDerWaalsContact O-CB 3.25Å; Q498-L502 WeakPolarHBondContact O-CB 3.4Å; Q498-L502 PolarHBondContact O-N 3.42Å; R500-L502 VanDerWaalsContact C-N 3.27Å; R500-L502 PolarHBondContact O-N 2.99Å; L502-K505 PolarHBondContact O-N 3.21Å; L502-L506 WeakPolarHBondContact O-CB 3.42Å; L502-L506 WeakPolarHBondContact O-CG 3.47Å; L502-L506 PolarHBondContact O-N 2.97Å; L502-F557 HydrophobicContact CD1-CE1 4.34Å; L502-L558 HydrophobicContact CD1-CD2 4.1Å; L502-L558 HydrophobicContact CD2-CD2 3.29Å; L502-L558 HydrophobicContact CG-CD2 3.78Å; L502-Q561 HydrophobicContact CD1-CB 4.3Å; L502-A563 HydrophobicContact CD1-CB 4.14Å; L502-A563 HydrophobicContact CD2-CB 3.49Å; L502-A563 VanDerWaalsContact CD2-CB 3.49Å; L502-A563 HydrophobicContact CG-CB 4.46Å
503L77.2Confident72.8Confident21 Ų2194.2 Ų94.211%0.1142%0.418CS..Hα-helixtrans-64.9-39.8175.9-173.172.5000112R499 R500 L506 R507 R516 I543R499-L503 WeakPolarHBondContact O-CB 3.41Å; R499-L503 PolarHBondContact O-N 3.17Å; R500-L503 PolarHBondContact O-N 3.27Å; L503-L506 PolarHBondContact O-N 3.14Å; L503-R507 WeakPolarHBondContact O-CB 3.44Å; L503-R507 PolarHBondContact O-N 3.43Å; L503-R516 HydrophobicContact CD2-CG 3.97Å; L503-I543 HydrophobicContact CD1-CD1 3.76Å; L503-I543 HydrophobicContact CD1-CG1 3.95Å; L503-I543 HydrophobicContact CD1-CG2 4.14Å
504E78.4Confident73.8Confident105 Ų10593.5 Ų93.549%0.49141%0.409SS..Hα-helixtrans-64.8-39.7174.1-78.1-168.9179.300112.1R500 E501 R507 R508R500-E504 PolarHBondContact O-N 3.32Å; E501-E504 PolarHBondContact O-N 2.85Å; E504-R507 PolarHBondContact O-N 3.35Å; E504-R508 VanDerWaalsContact O-CG 3.3Å; E504-R508 WeakPolarHBondContact O-CG 3.4Å; E504-R508 PolarHBondContact O-N 3.25Å
505K79.1Confident75Confident104 Ų10484.3 Ų84.345%0.45238%0.376SS..Hα-helixtrans-62.9-45.1173.4-72.4172.2-175.6178.10111.5E501 L502 R507 R508 L509E501-K505 VanDerWaalsContact O-CG 3.3Å; E501-K505 WeakPolarHBondContact O-CG 3.49Å; E501-K505 PolarHBondContact O-N 2.91Å; L502-K505 PolarHBondContact O-N 3.21Å; K505-R507 VanDerWaalsContact C-N 3.34Å; K505-R507 PolarHBondContact O-N 3.28Å; K505-R508 PolarHBondContact O-N 3.31Å; K505-L509 WeakPolarHBondContact O-CB 3.18Å; K505-L509 WeakPolarHBondContact O-CG 3.32Å; K505-L509 PolarHBondContact O-N 3.07Å
506L81.1Confident76.2Confident1 Ų179.2 Ų79.21%0.00536%0.357CS..Hα-helixtrans-59.4-42.9175-80.9171.1000112L502 L503 R508 L509 Y510 I543 C554 F557 L558L502-L506 WeakPolarHBondContact O-CB 3.42Å; L502-L506 WeakPolarHBondContact O-CG 3.47Å; L502-L506 PolarHBondContact O-N 2.97Å; L503-L506 PolarHBondContact O-N 3.14Å; L506-R508 VanDerWaalsContact C-N 3.34Å; L506-R508 PolarHBondContact O-N 3.42Å; L506-L509 PolarHBondContact O-N 3Å; L506-Y510 HydrophobicContact CD2-CD2 4.19Å; L506-Y510 HydrophobicContact CD2-CE2 4.44Å; L506-Y510 WeakPolarHBondContact O-CA 3.41Å; L506-Y510 PolarHBondContact O-N 3.23Å; L506-I543 HydrophobicContact CD1-CD1 4.44Å; L506-C554 HydrophobicContact CD2-CB 3.92Å; L506-F557 HydrophobicContact CD2-CB 4.39Å; L506-F557 HydrophobicContact CD2-CD1 3.4Å; L506-F557 HydrophobicContact CD2-CE1 4Å; L506-F557 HydrophobicContact CD2-CG 4.17Å; L506-F557 HydrophobicContact CG-CD1 4.03Å; L506-F557 HydrophobicContact CG-CE1 4.19Å; L506-L558 HydrophobicContact CD1-CD2 4.05Å; L506-L558 HydrophobicContact CD1-CG 4.35Å
507R78.4Confident77.3Confident160 Ų16075.2 Ų75.260%0.60434%0.339SS*.Hα-helixtrans-67.4-32.5177.8-169.2175.3179.7172.81.3112.9L503 E504 K505L503-R507 WeakPolarHBondContact O-CB 3.44Å; L503-R507 PolarHBondContact O-N 3.43Å; E504-R507 PolarHBondContact O-N 3.35Å; K505-R507 VanDerWaalsContact C-N 3.34Å; K505-R507 PolarHBondContact O-N 3.28Å
508R81.1Confident77.9Confident199 Ų19971 Ų7175%0.75132%0.321SS*.Hα-helixtrans-72.5-39.8175.1-73.5176.6-170.9-170.65.9112.4E504 K505 L506E504-R508 VanDerWaalsContact O-CG 3.3Å; E504-R508 WeakPolarHBondContact O-CG 3.4Å; E504-R508 PolarHBondContact O-N 3.25Å; K505-R508 PolarHBondContact O-N 3.31Å; L506-R508 VanDerWaalsContact C-N 3.34Å; L506-R508 PolarHBondContact O-N 3.42Å
509L79.4Confident78.5Confident98 Ų9869.1 Ų69.151%0.51332%0.315SS..Hα-helixtrans-79.8-36.2-178.7-69.1166.5000112.3K505 L506 F557K505-L509 WeakPolarHBondContact O-CB 3.18Å; K505-L509 WeakPolarHBondContact O-CG 3.32Å; K505-L509 PolarHBondContact O-N 3.07Å; L506-L509 PolarHBondContact O-N 3Å; L509-F557 HydrophobicContact CD1-CD2 4Å; L509-F557 HydrophobicContact CD1-CE1 4.16Å; L509-F557 HydrophobicContact CD1-CE2 3.35Å; L509-F557 HydrophobicContact CD1-CZ 3.44Å; L509-F557 VanDerWaalsContact CD1-CZ 3.44Å
510Y81.2Confident79Confident62 Ų6267.1 Ų67.124%0.24331%0.309CS..  trans-128.288.2-178.6-55.5-78.6000109.8L506 Q512 T513 E553 F557L506-Y510 HydrophobicContact CD2-CD2 4.19Å; L506-Y510 HydrophobicContact CD2-CE2 4.44Å; L506-Y510 WeakPolarHBondContact O-CA 3.41Å; L506-Y510 PolarHBondContact O-N 3.23Å; Y510-Q512 PolarHBondContact O-N 3.03Å; Y510-T513 WeakPolarHBondContact O-CB 3.43Å; Y510-T513 PolarHBondContact O-N 3.11Å; Y510-T513 PolarHBondContact O-OG1 3.36Å; Y510-E553 HydrophobicContact CE1-CB 3.87Å; Y510-E553 WeakPolarHBondContact CE1-OE2 3.48Å; Y510-F557 HydrophobicContact CE2-CB 4.29Å
511P75.1Confident79.4Confident108 Ų10863.1 Ų63.170%0.70130%0.295SS*.THydrogen-bonded Turntrans-60.1-19.8-176.3-23.933000114.3T513P511-T513 PolarHBondContact O-N 3.27Å
512Q76.3Confident79.6Confident115 Ų11560.2 Ų60.254%0.53729%0.285SS..THydrogen-bonded Turntrans-79.89.4177.1-52.8-163.239.200114Y510 S546 V550Y510-Q512 PolarHBondContact O-N 3.03Å; Q512-S546 VanDerWaalsContact CB-OG 3.29Å; Q512-S546 WeakPolarHBondContact CB-OG 3.22Å; Q512-S546 PolarHBondContact O-N 3.06Å; Q512-S546 VanDerWaalsContact O-N 3.1Å; Q512-S546 PolarHBondContact OE1-OG 2.9Å; Q512-V550 HydrophobicContact CB-CG1 4.5Å; Q512-V550 HydrophobicContact CB-CG2 4.4Å
513T82.9Confident80.1Confident2 Ų260 Ų601%0.01229%0.285CS..EExtended strand (participates in β ladder)trans-91.5115.2170.2-51.30000109.3Y510 P511 I543 V545Y510-T513 WeakPolarHBondContact O-CB 3.43Å; Y510-T513 PolarHBondContact O-N 3.11Å; Y510-T513 PolarHBondContact O-OG1 3.36Å; P511-T513 PolarHBondContact O-N 3.27Å; T513-I543 HydrophobicContact CG2-CG2 3.54Å; T513-V545 HydrophobicContact CG2-CG1 4.02Å
514F79.4Confident80.4Confident61 Ų6163.1 Ų63.127%0.26830%0.304SS..EExtended strand (participates in β ladder)trans-78.5-35.1-175.4-67.4-83.7000112.5L520 V544 I571F514-L520 HydrophobicContact CB-CD1 3.99Å; F514-L520 HydrophobicContact CB-CD2 4.35Å; F514-V544 HydrophobicContact CB-CB 4.39Å; F514-V544 HydrophobicContact CD2-CG1 4.36Å; F514-V544 PolarHBondContact N-O 3.48Å; F514-I571 HydrophobicContact CD2-CD1 3.92Å; F514-I571 HydrophobicContact CE2-CD1 3.63Å; F514-I571 HydrophobicContact CZ-CD1 4.39Å
515G82.3Confident80.5Confident8 Ų863.2 Ų63.28%0.08231%0.305CS..EExtended strand (participates in β ladder)trans130.1-168.217900000112.9I543 V544G515-I543 CarbonylContact O-C 3.6Å; G515-I543 WeakPolarHBondContact O-CA 3.43Å; G515-V544 PolarHBondContact O-N 3.15Å
516R84.3Confident80.5Confident36 Ų3664.7 Ų64.714%0.13631%0.311CS..EExtended strand (participates in β ladder)trans-75.7148.4176.8-71.9176.8-77.2-158.2-10.7111.3L503 S518 D519 L520 S542 I543L503-R516 HydrophobicContact CD2-CG 3.97Å; R516-S518 PolarHBondContact O-N 3.25Å; R516-D519 IonicContact CZ-OD2 3.74Å; R516-D519 IonicContact NE-OD2 2.73Å; R516-D519 PolarHBondContact NE-OD2 3.06Å; R516-D519 VanDerWaalsContact NE-OD2 3.15Å; R516-D519 IonicContact NH2-OD2 2.96Å; R516-D519 PolarHBondContact O-N 3.39Å; R516-L520 VanDerWaalsContact O-CG 3.29Å; R516-L520 WeakPolarHBondContact O-CG 3.3Å; R516-L520 PolarHBondContact O-N 2.88Å; R516-S542 CarbonylContact C-O 3.55Å; R516-S542 WeakPolarHBondContact CA-O 3.41Å; R516-I543 HydrophobicContact CG-CG1 4.28Å
517L82.6Confident80.5Confident4 Ų469.2 Ų69.22%0.02133%0.331CS..Hα-helixtrans-57.2-38.6177.4-168.266.9000112.2D519 L520 C521 F536 Y539 S542 V544 V608 V612L517-D519 VanDerWaalsContact C-N 3.26Å; L517-D519 PolarHBondContact O-N 3.09Å; L517-L520 PolarHBondContact O-N 3.14Å; L517-C521 PolarHBondContact O-N 3.24Å; L517-C521 PolarHBondContact O-SG 3.22Å; L517-F536 HydrophobicContact CD2-CD2 3.65Å; L517-F536 HydrophobicContact CD2-CE2 3.57Å; L517-F536 HydrophobicContact CD2-CZ 4.42Å; L517-F536 HydrophobicContact CG-CD2 4.17Å; L517-F536 HydrophobicContact CG-CE2 3.79Å; L517-Y539 WeakPolarHBondContact CD2-O 3.44Å; L517-S542 PolarHBondContact N-O 2.95Å; L517-V544 HydrophobicContact CD1-CG2 4.32Å; L517-V608 HydrophobicContact CD1-CG1 3.94Å; L517-V612 HydrophobicContact CD2-CB 4.35Å; L517-V612 HydrophobicContact CD2-CG1 4.09Å; L517-V612 HydrophobicContact CD2-CG2 3.91Å
518S78.1Confident80.7Confident19 Ų1962.4 Ų62.413%0.13331%0.305CS..Hα-helixtrans-62.2-26.3174.461.70000114.9R516 M540 W666R516-S518 PolarHBondContact O-N 3.25Å; S518-M540 WeakPolarHBondContact CB-O 3.42Å; S518-M540 PolarHBondContact N-O 2.69Å; S518-W666 WeakPolarHBondContact O-CZ3 3.44Å
519D77.8Confident80.9Confident75 Ų7554.1 Ų54.140%0.40128%0.275SS..Hα-helixtrans-87.8-23.9-179.2-59.5-24.6000110.8R516 L517 N599R516-D519 IonicContact CZ-OD2 3.74Å; R516-D519 IonicContact NE-OD2 2.73Å; R516-D519 PolarHBondContact NE-OD2 3.06Å; R516-D519 VanDerWaalsContact NE-OD2 3.15Å; R516-D519 IonicContact NH2-OD2 2.96Å; R516-D519 PolarHBondContact O-N 3.39Å; L517-D519 VanDerWaalsContact C-N 3.26Å; L517-D519 PolarHBondContact O-N 3.09Å; D519-N599 PolarHBondContact O-ND2 3.43Å
520L80Confident81Confident28 Ų2851.1 Ų51.115%0.14726%0.259CS..Hα-helixtrans-92.2-21-173.1-66.8171.2000114.1F514 R516 L517 V544 N599 L605F514-L520 HydrophobicContact CB-CD1 3.99Å; F514-L520 HydrophobicContact CB-CD2 4.35Å; R516-L520 VanDerWaalsContact O-CG 3.29Å; R516-L520 WeakPolarHBondContact O-CG 3.3Å; R516-L520 PolarHBondContact O-N 2.88Å; L517-L520 PolarHBondContact O-N 3.14Å; L520-V544 HydrophobicContact CD1-CB 3.94Å; L520-V544 HydrophobicContact CD1-CG2 3.86Å; L520-N599 PolarHBondContact O-N 3.02Å; L520-L605 HydrophobicContact CD1-CD2 4.12Å; L520-L605 HydrophobicContact CD2-CD1 4.41Å
521C81.1Confident81.2Confident5 Ų548.1 Ų48.13%0.03425%0.247CC..EExtended strand (participates in β ladder)trans-128.9168178.969.60000111.9L517 F536 V596 Q597 W666L517-C521 PolarHBondContact O-N 3.24Å; L517-C521 PolarHBondContact O-SG 3.22Å; C521-F536 WeakPolarHBondContact SG-CE2 3.44Å; C521-V596 HydrophobicContact CB-CG1 3.71Å; C521-Q597 CarbonylContact C-O 3.48Å; C521-Q597 WeakPolarHBondContact CA-O 3.38Å; C521-Q597 WeakPolarHBondContact CB-O 3.46Å; C521-W666 WeakPolarHBondContact O-CZ3 3.26Å
522S81.1Confident81.7Confident29 Ų2943 Ų4320%0.20321%0.214CC..EExtended strand (participates in β ladder)trans-151.6141.7174.552.20000110.1V524 Q597S522-V524 PolarHBondContact O-N 2.9Å; S522-Q597 PolarHBondContact N-O 3.29Å; S522-Q597 WeakPolarHBondContact O-CB 3.41Å; S522-Q597 PolarHBondContact O-N 3.08Å
523P84.7Confident82.2Confident21 Ų2137.8 Ų37.814%0.13619%0.19CC..EExtended strand (participates in β ladder)trans-58.4138.1170-18.229.5000110.3H525 Q529 V532P523-H525 PolarHBondContact O-N 3.32Å; P523-Q529 HydrophobicContact CG-CB 4.41Å; P523-Q529 HydrophobicContact CG-CG 4.47Å; P523-V532 HydrophobicContact CB-CG2 4.35Å; P523-V532 HydrophobicContact CG-CB 4.26Å; P523-V532 HydrophobicContact CG-CG1 4.28Å; P523-V532 HydrophobicContact CG-CG2 4.45Å
524V83.3Confident82.3Confident85 Ų8539.7 Ų39.752%0.51520%0.198SC..SBendtrans-62-29.9-179.5175.90000111.8S522 V595 Q597S522-V524 PolarHBondContact O-N 2.9Å; V524-V595 WeakPolarHBondContact CG2-O 3.36Å; V524-V595 PolarHBondContact N-O 3.14Å; V524-Q597 HydrophobicContact CG2-CB 4.02Å
525H80.6Confident82.6Confident108 Ų10836.9 Ų36.950%0.519%0.186SC..SBendtrans-144.4144.6179.3-162.7-55.2000111P523 K527 Y528P523-H525 PolarHBondContact O-N 3.32Å; H525-K527 HydrophobicContact CB-CG 4.1Å; H525-K527 PolarHBondContact ND1-N 3.49Å; H525-K527 PolarHBondContact O-N 3.27Å; H525-Y528 HydrophobicContact CB-CD2 3.93Å; H525-Y528 HydrophobicContact CB-CE2 4.15Å; H525-Y528 PolarHBondContact O-N 3.03Å
526K79.4Confident82.8Confident134 Ų13436.6 Ų36.658%0.58318%0.182SC*.G310 helixtrans-49.7-32.6178.1-81-168172.4-167.30114.4Y528 Q529 E667K526-Y528 PolarHBondContact O-N 3.04Å; K526-Y528 VanDerWaalsContact O-N 3.15Å; K526-Q529 WeakPolarHBondContact O-CB 3.37Å; K526-Q529 PolarHBondContact O-N 3.3Å; K526-Q529 VanDerWaalsContact O-N 3.13Å; K526-E667 IonicContact NZ-OE1 3.71Å
527K80.8Confident82.7Confident97 Ų9737 Ų3742%0.42220%0.198SC..G310 helixtrans-61.2-24.8179.864.2177.7173165.30113.9H525H525-K527 HydrophobicContact CB-CG 4.1Å; H525-K527 PolarHBondContact ND1-N 3.49Å; H525-K527 PolarHBondContact O-N 3.27Å
528Y84.5Confident82.6Confident16 Ų1646.1 Ų46.16%0.06323%0.232CC..G310 helixtrans-98.1-0.2-179-54.5-66.4000113.5H525 K526 L530 A531 V532 V595 V618 L641H525-Y528 HydrophobicContact CB-CD2 3.93Å; H525-Y528 HydrophobicContact CB-CE2 4.15Å; H525-Y528 PolarHBondContact O-N 3.03Å; K526-Y528 PolarHBondContact O-N 3.04Å; K526-Y528 VanDerWaalsContact O-N 3.15Å; Y528-L530 VanDerWaalsContact C-N 3.34Å; Y528-L530 PolarHBondContact O-N 2.9Å; Y528-A531 PolarHBondContact O-N 3.39Å; Y528-V532 WeakPolarHBondContact O-CB 3.33Å; Y528-V532 VanDerWaalsContact O-CG2 3.29Å; Y528-V532 WeakPolarHBondContact O-CG2 3.16Å; Y528-V532 PolarHBondContact O-N 2.88Å; Y528-V595 HydrophobicContact CD1-CG1 3.99Å; Y528-V595 HydrophobicContact CD2-CB 4.41Å; Y528-V595 HydrophobicContact CD2-CG1 3.18Å; Y528-V595 HydrophobicContact CE1-CG1 4.12Å; Y528-V595 HydrophobicContact CE2-CG1 3.31Å; Y528-V595 HydrophobicContact CG-CB 4.43Å; Y528-V595 HydrophobicContact CG-CG1 3.5Å; Y528-V618 HydrophobicContact CD1-CG1 4.02Å; Y528-V618 HydrophobicContact CE1-CG1 4.23Å; Y528-L641 HydrophobicContact CD1-CD2 3.52Å; Y528-L641 HydrophobicContact CE1-CD2 3.78Å
529Q83.5Confident82.9Confident25 Ų2547.2 Ų47.212%0.11723%0.233CC..Hα-helixtrans-60.1-43.1-173.4-169.8176.5-17.100112.2P523 K526 T533 A663 W666P523-Q529 HydrophobicContact CG-CB 4.41Å; P523-Q529 HydrophobicContact CG-CG 4.47Å; K526-Q529 WeakPolarHBondContact O-CB 3.37Å; K526-Q529 PolarHBondContact O-N 3.3Å; K526-Q529 VanDerWaalsContact O-N 3.13Å; Q529-T533 WeakPolarHBondContact O-CB 3.5Å; Q529-T533 PolarHBondContact O-N 3.14Å; Q529-T533 PolarHBondContact O-OG1 3.26Å; Q529-A663 HydrophobicContact CG-CB 4.21Å; Q529-A663 PolarHBondContact NE2-O 3.35Å; Q529-W666 HydrophobicContact CG-CB 4.27Å; Q529-W666 VanDerWaalsContact CG-CD1 3.4Å; Q529-W666 HydrophobicContact CG-CG 4.07Å
530L83.1Confident83Confident35 Ų3544.6 Ų44.618%0.18322%0.219CC..Hα-helixtrans-65.7-46.4176.2-77.9154.6000111.9Y528 T533 K534 L641 L659 R660 A663Y528-L530 VanDerWaalsContact C-N 3.34Å; Y528-L530 PolarHBondContact O-N 2.9Å; L530-T533 PolarHBondContact O-N 3.06Å; L530-K534 WeakPolarHBondContact O-CB 3.4Å; L530-K534 PolarHBondContact O-N 3.25Å; L530-L641 WeakPolarHBondContact CB-O 3.44Å; L530-L659 HydrophobicContact CB-CD2 4.41Å; L530-L659 HydrophobicContact CD2-CB 4.32Å; L530-L659 HydrophobicContact CD2-CD2 3.87Å; L530-L659 HydrophobicContact CD2-CG 4.14Å; L530-R660 HydrophobicContact CD1-CG 4.49Å; L530-R660 HydrophobicContact CD2-CG 3.76Å; L530-A663 HydrophobicContact CD2-CB 4.19Å; L530-A663 HydrophobicContact CG-CB 4.48Å
531A84.1Confident83.1Confident0 Ų046.4 Ų46.40%023%0.229CC..Hα-helixtrans-60.8-47.3178.300000112.1Y528 K534 V535 V618 V639Y528-A531 PolarHBondContact O-N 3.39Å; A531-K534 PolarHBondContact O-N 3.47Å; A531-V535 WeakPolarHBondContact O-CG2 3.41Å; A531-V535 PolarHBondContact O-N 3.41Å; A531-V535 VanDerWaalsContact O-N 3.07Å; A531-V618 HydrophobicContact CB-CG1 4.27Å; A531-V639 HydrophobicContact CB-CG1 3.98Å; A531-V639 HydrophobicContact CB-CG2 4.24Å
532V86.3Confident83.4Confident1 Ų146.2 Ų46.21%0.00623%0.228CC..Hα-helixtrans-65.4-45.3178.6173.40000111P523 Y528 K534 V535 F536 V592 V596P523-V532 HydrophobicContact CB-CG2 4.35Å; P523-V532 HydrophobicContact CG-CB 4.26Å; P523-V532 HydrophobicContact CG-CG1 4.28Å; P523-V532 HydrophobicContact CG-CG2 4.45Å; Y528-V532 WeakPolarHBondContact O-CB 3.33Å; Y528-V532 VanDerWaalsContact O-CG2 3.29Å; Y528-V532 WeakPolarHBondContact O-CG2 3.16Å; Y528-V532 PolarHBondContact O-N 2.88Å; V532-K534 VanDerWaalsContact C-N 3.27Å; V532-K534 PolarHBondContact O-N 2.93Å; V532-V535 PolarHBondContact O-N 3.48Å; V532-V535 VanDerWaalsContact O-N 3.14Å; V532-F536 HydrophobicContact CG1-CD1 3.87Å; V532-F536 HydrophobicContact CG1-CE1 3.71Å; V532-F536 HydrophobicContact CG1-CG 4.4Å; V532-F536 HydrophobicContact CG1-CZ 4.12Å; V532-F536 WeakPolarHBondContact O-CB 3.5Å; V532-F536 VanDerWaalsContact O-CD1 3.28Å; V532-F536 WeakPolarHBondContact O-CD1 3.49Å; V532-F536 PolarHBondContact O-N 3.5Å; V532-V592 HydrophobicContact CG2-CG1 4.44Å; V532-V596 HydrophobicContact CG1-CG2 3.81Å; V532-V596 HydrophobicContact CG2-CG2 3.96Å
533T85.9Confident83.7Confident5 Ų545.1 Ų45.13%0.03122%0.219CC..Hα-helixtrans-57.2-41.7177-59.90000111.4Q529 L530 G537 M540 L659 K662 A663 W666Q529-T533 WeakPolarHBondContact O-CB 3.5Å; Q529-T533 PolarHBondContact O-N 3.14Å; Q529-T533 PolarHBondContact O-OG1 3.26Å; L530-T533 PolarHBondContact O-N 3.06Å; T533-G537 PolarHBondContact O-N 2.97Å; T533-M540 HydrophobicContact CG2-CE 4.42Å; T533-M540 HydrophobicContact CG2-SD 3.81Å; T533-L659 HydrophobicContact CG2-CD1 4.37Å; T533-K662 HydrophobicContact CG2-CB 4.19Å; T533-A663 HydrophobicContact CG2-CB 4.47Å; T533-W666 PolarHBondContact OG1-NE1 3.01Å
534K85.9Confident83.8Confident41 Ų4144.1 Ų44.118%0.17821%0.213CC..Hα-helixtrans-67-40.7177.3-169.870.5176.5-177.50112.8L530 A531 V532 V639 G643 L645 S653 L659L530-K534 WeakPolarHBondContact O-CB 3.4Å; L530-K534 PolarHBondContact O-N 3.25Å; A531-K534 PolarHBondContact O-N 3.47Å; V532-K534 VanDerWaalsContact C-N 3.27Å; V532-K534 PolarHBondContact O-N 2.93Å; K534-V639 HydrophobicContact CB-CG2 4.31Å; K534-V639 HydrophobicContact CG-CG2 4.45Å; K534-G643 WeakPolarHBondContact CD-O 3.38Å; K534-G643 VanDerWaalsContact CG-O 3.3Å; K534-G643 WeakPolarHBondContact CG-O 3.44Å; K534-L645 HydrophobicContact CG-CB 3.84Å; K534-L645 HydrophobicContact CG-CD2 4.49Å; K534-S653 WeakPolarHBondContact CE-OG 3.42Å; K534-S653 PolarHBondContact NZ-OG 3.02Å; K534-L659 HydrophobicContact CB-CD1 4.07Å; K534-L659 HydrophobicContact CB-CD2 4.04Å; K534-L659 HydrophobicContact CD-CD1 3.53Å; K534-L659 HydrophobicContact CD-CD2 4.14Å; K534-L659 HydrophobicContact CD-CG 4.5Å; K534-L659 HydrophobicContact CG-CD1 4.42Å
535V85.8Confident84.1Confident3 Ų340.1 Ų40.12%0.01819%0.188CC..Hα-helixtrans-68-40.5-179.6172.10000111.1A531 V532 V592 A616 R637 V639 L645A531-V535 WeakPolarHBondContact O-CG2 3.41Å; A531-V535 PolarHBondContact O-N 3.41Å; A531-V535 VanDerWaalsContact O-N 3.07Å; V532-V535 PolarHBondContact O-N 3.48Å; V532-V535 VanDerWaalsContact O-N 3.14Å; V535-V592 HydrophobicContact CB-CG1 4.27Å; V535-V592 HydrophobicContact CG1-CG1 4.05Å; V535-V592 HydrophobicContact CG2-CG1 4.35Å; V535-V592 HydrophobicContact CG2-CG2 4.01Å; V535-A616 HydrophobicContact CG1-CB 4.2Å; V535-R637 PolarHBondContact O-NH2 2.95Å; V535-V639 HydrophobicContact CG2-CB 4.02Å; V535-V639 HydrophobicContact CG2-CG1 3.75Å; V535-V639 HydrophobicContact CG2-CG2 4.27Å; V535-L645 HydrophobicContact CG2-CD1 4.32Å
536F85.4Confident84.3Confident1 Ų136.1 Ų36.10%0.00417%0.173CC..Hα-helixtrans-68.4-42.1178.9-8239.5000111.3L517 C521 V532 R538 Y539 M540 V596 V612 C613 W666L517-F536 HydrophobicContact CD2-CD2 3.65Å; L517-F536 HydrophobicContact CD2-CE2 3.57Å; L517-F536 HydrophobicContact CD2-CZ 4.42Å; L517-F536 HydrophobicContact CG-CD2 4.17Å; L517-F536 HydrophobicContact CG-CE2 3.79Å; C521-F536 WeakPolarHBondContact SG-CE2 3.44Å; V532-F536 HydrophobicContact CG1-CD1 3.87Å; V532-F536 HydrophobicContact CG1-CE1 3.71Å; V532-F536 HydrophobicContact CG1-CG 4.4Å; V532-F536 HydrophobicContact CG1-CZ 4.12Å; V532-F536 WeakPolarHBondContact O-CB 3.5Å; V532-F536 VanDerWaalsContact O-CD1 3.28Å; V532-F536 WeakPolarHBondContact O-CD1 3.49Å; V532-F536 PolarHBondContact O-N 3.5Å; F536-R538 PolarHBondContact O-N 2.83Å; F536-R538 VanDerWaalsContact O-N 3.12Å; F536-Y539 WeakPolarHBondContact O-CB 3.37Å; F536-Y539 PolarHBondContact O-N 3.29Å; F536-M540 HydrophobicContact CB-CB 4.36Å; F536-V596 HydrophobicContact CE1-CG2 4.06Å; F536-V596 HydrophobicContact CZ-CG1 4.12Å; F536-V596 HydrophobicContact CZ-CG2 4.12Å; F536-V612 HydrophobicContact CD1-CG1 4.04Å; F536-V612 HydrophobicContact CE1-CG1 4.36Å; F536-V612 HydrophobicContact CG-CG1 4.13Å; F536-C613 VanDerWaalsContact CE1-SG 3.52Å; F536-W666 HydrophobicContact CE2-CH2 4.48Å
537G83.2Confident84.6Confident44 Ų4431.3 Ų31.345%0.45416%0.156SC..G310 helixtrans50-117.4171.600000112.7T533 Y539 M540T533-G537 PolarHBondContact O-N 2.97Å; G537-Y539 PolarHBondContact O-N 3.17Å; G537-M540 WeakPolarHBondContact O-CB 3.21Å; G537-M540 PolarHBondContact O-N 3.17Å
538R79.3Confident84.9Confident197 Ų19729.8 Ų29.874%0.74315%0.151SC*.G310 helixtrans-64.5-24.4179.468.5179.6178.4-173.7-0.2114.2F536 M540F536-R538 PolarHBondContact O-N 2.83Å; F536-R538 VanDerWaalsContact O-N 3.12Å; R538-M540 VanDerWaalsContact C-N 3.28Å; R538-M540 PolarHBondContact O-N 2.88Å
539Y84.7Confident84.9Confident42 Ų4235.3 Ų35.317%0.16518%0.175CC..G310 helixtrans-82.6-5.7-176.5-60.6-71.7000113.5L517 F536 G537 N541 S542 L569 Y611 V612L517-Y539 WeakPolarHBondContact CD2-O 3.44Å; F536-Y539 WeakPolarHBondContact O-CB 3.37Å; F536-Y539 PolarHBondContact O-N 3.29Å; G537-Y539 PolarHBondContact O-N 3.17Å; Y539-N541 VanDerWaalsContact C-N 3.29Å; Y539-N541 PolarHBondContact O-N 3.27Å; Y539-S542 WeakPolarHBondContact CA-OG 3.29Å; Y539-S542 WeakPolarHBondContact O-CB 3.07Å; Y539-S542 PolarHBondContact O-N 2.79Å; Y539-S542 VanDerWaalsContact O-N 3.12Å; Y539-S542 PolarHBondContact O-OG 2.66Å; Y539-L569 HydrophobicContact CD1-CD1 4.48Å; Y539-L569 HydrophobicContact CD1-CD2 4.41Å; Y539-L569 HydrophobicContact CE1-CD2 4.46Å; Y539-Y611 HydrophobicContact CE1-CE1 4.45Å; Y539-V612 HydrophobicContact CD2-CG1 4.22Å; Y539-V612 HydrophobicContact CD2-CG2 4.5Å; Y539-V612 HydrophobicContact CG-CG1 4.36Å; Y539-V612 HydrophobicContact CG-CG2 4.16Å
540M80.6Confident85.1Confident19 Ų1934.8 Ų34.89%0.09417%0.173CC..G310 helixtrans-59.9-39.1-176.3-166.1161.399.700112.8S518 T533 F536 G537 R538 K662 C665 W666S518-M540 WeakPolarHBondContact CB-O 3.42Å; S518-M540 PolarHBondContact N-O 2.69Å; T533-M540 HydrophobicContact CG2-CE 4.42Å; T533-M540 HydrophobicContact CG2-SD 3.81Å; F536-M540 HydrophobicContact CB-CB 4.36Å; G537-M540 WeakPolarHBondContact O-CB 3.21Å; G537-M540 PolarHBondContact O-N 3.17Å; R538-M540 VanDerWaalsContact C-N 3.28Å; R538-M540 PolarHBondContact O-N 2.88Å; M540-K662 HydrophobicContact CE-CB 4.43Å; M540-C665 HydrophobicContact CE-CB 4.35Å; M540-C665 WeakPolarHBondContact CE-SG 3.24Å; M540-W666 HydrophobicContact CG-CZ2 4.43Å; M540-W666 HydrophobicContact SD-CZ2 4.22Å
541N81.3Confident85.2Confident67 Ų6733.4 Ų33.436%0.35817%0.167SC..G310 helixtrans-95.34.1178.8-68-34000113.5Y539Y539-N541 VanDerWaalsContact C-N 3.29Å; Y539-N541 PolarHBondContact O-N 3.27Å
542S87.2Confident85.3Confident1 Ų140.6 Ų40.61%0.00719%0.194CC..PPolyproline II helixtrans-68.3139.2-178-600000111.9R516 L517 Y539 T567R516-S542 CarbonylContact C-O 3.55Å; R516-S542 WeakPolarHBondContact CA-O 3.41Å; L517-S542 PolarHBondContact N-O 2.95Å; Y539-S542 WeakPolarHBondContact CA-OG 3.29Å; Y539-S542 WeakPolarHBondContact O-CB 3.07Å; Y539-S542 PolarHBondContact O-N 2.79Å; Y539-S542 VanDerWaalsContact O-N 3.12Å; Y539-S542 PolarHBondContact O-OG 2.66Å; S542-T567 CarbonylContact C-O 3.56Å; S542-T567 VanDerWaalsContact CA-O 3.23Å; S542-T567 WeakPolarHBondContact CA-O 3.41Å; S542-T567 WeakPolarHBondContact CB-O 3.29Å
543I88.3Confident85.3Confident6 Ų644 Ų443%0.03121%0.21CC..EExtended strand (participates in β ladder)trans-90.9123.6-178.2-58172.9000109.2L503 L506 T513 G515 R516 V545 E566 T567 F568 L569L503-I543 HydrophobicContact CD1-CD1 3.76Å; L503-I543 HydrophobicContact CD1-CG1 3.95Å; L503-I543 HydrophobicContact CD1-CG2 4.14Å; L506-I543 HydrophobicContact CD1-CD1 4.44Å; T513-I543 HydrophobicContact CG2-CG2 3.54Å; G515-I543 CarbonylContact O-C 3.6Å; G515-I543 WeakPolarHBondContact O-CA 3.43Å; R516-I543 HydrophobicContact CG-CG1 4.28Å; I543-V545 HydrophobicContact CG2-CG1 4.36Å; I543-E566 HydrophobicContact CD1-CB 4.18Å; I543-E566 HydrophobicContact CD1-CG 4.41Å; I543-T567 PolarHBondContact N-O 3.44Å; I543-F568 HydrophobicContact CB-CD1 3.82Å; I543-F568 HydrophobicContact CB-CE1 3.89Å; I543-F568 HydrophobicContact CD1-CE1 3.91Å; I543-F568 HydrophobicContact CD1-CZ 4.03Å; I543-F568 HydrophobicContact CG1-CE1 4.49Å; I543-F568 HydrophobicContact CG2-CD1 3.97Å; I543-F568 HydrophobicContact CG2-CE1 3.87Å; I543-F568 CarbonylContact O-C 3.58Å; I543-F568 VanDerWaalsContact O-CA 3.29Å; I543-F568 WeakPolarHBondContact O-CA 3.22Å; I543-L569 PolarHBondContact O-N 3.02Å
544V87.3Confident85.3Confident0 Ų043.7 Ų43.70%021%0.208CC..EExtended strand (participates in β ladder)trans-89.7128.4179.2-174.40000110F514 G515 L517 L520 I571 L605 V608F514-V544 HydrophobicContact CB-CB 4.39Å; F514-V544 HydrophobicContact CD2-CG1 4.36Å; F514-V544 PolarHBondContact N-O 3.48Å; G515-V544 PolarHBondContact O-N 3.15Å; L517-V544 HydrophobicContact CD1-CG2 4.32Å; L520-V544 HydrophobicContact CD1-CB 3.94Å; L520-V544 HydrophobicContact CD1-CG2 3.86Å; V544-I571 HydrophobicContact CG1-CD1 3.83Å; V544-I571 HydrophobicContact CG1-CG1 3.83Å; V544-L605 HydrophobicContact CG1-CD2 3.8Å; V544-V608 HydrophobicContact CG1-CG2 4.05Å; V544-V608 HydrophobicContact CG2-CG1 4.1Å
545V88.1Confident85.3Confident0 Ų044.7 Ų44.70%022%0.215CC..EExtended strand (participates in β ladder)trans-128.9155.4179.3-63.20000110.9T513 I543 V550 A551 F568 L569 P570 I571T513-V545 HydrophobicContact CG2-CG1 4.02Å; I543-V545 HydrophobicContact CG2-CG1 4.36Å; V545-V550 HydrophobicContact CB-CG1 4.37Å; V545-V550 HydrophobicContact CG1-CG1 4.44Å; V545-A551 HydrophobicContact CG2-CB 3.85Å; V545-F568 HydrophobicContact CG1-CD1 3.92Å; V545-F568 HydrophobicContact CG1-CE1 4.45Å; V545-L569 PolarHBondContact N-O 2.91Å; V545-P570 HydrophobicContact CG2-CB 4.04Å; V545-P570 WeakPolarHBondContact O-CA 3.46Å; V545-I571 WeakPolarHBondContact O-CG1 3.47Å; V545-I571 PolarHBondContact O-N 2.84Å
546S85.2Confident85.3Confident25 Ų2546.7 Ų46.718%0.17523%0.231CC..SBendtrans-63.9-41.9-179.862.50000113.4Q512 D572Q512-S546 VanDerWaalsContact CB-OG 3.29Å; Q512-S546 WeakPolarHBondContact CB-OG 3.22Å; Q512-S546 PolarHBondContact O-N 3.06Å; Q512-S546 VanDerWaalsContact O-N 3.1Å; Q512-S546 PolarHBondContact OE1-OG 2.9Å; S546-D572 PolarHBondContact O-N 2.87Å
547S85.3Confident85.3Confident33 Ų3347.7 Ų47.723%0.23124%0.236CC..  trans-141.3152-170.8-179.90000114.3K549 V550 A551 D572S547-K549 PolarHBondContact O-N 3.3Å; S547-K549 PolarHBondContact OG-N 3.22Å; S547-V550 PolarHBondContact O-N 3.04Å; S547-V550 VanDerWaalsContact O-N 3.11Å; S547-A551 PolarHBondContact O-N 2.97Å; S547-D572 VanDerWaalsContact CA-CG 3.42Å; S547-D572 WeakPolarHBondContact CA-OD1 3.49Å; S547-D572 WeakPolarHBondContact CA-OD2 3.38Å; S547-D572 WeakPolarHBondContact CB-OD2 3.25Å; S547-D572 PolarHBondContact OG-OD2 2.94Å
548E87.2Confident85.3Confident65 Ų6546 Ų4630%0.30422%0.216SC..Hα-helixtrans-54.2-36.1172.7-167-138.1125.100112.7V550 A551 R552 P570 D572E548-V550 PolarHBondContact O-N 3.31Å; E548-A551 WeakPolarHBondContact O-CB 3.4Å; E548-A551 PolarHBondContact O-N 2.9Å; E548-R552 PolarHBondContact O-N 3.44Å; E548-R552 IonicContact OE1-CZ 3.47Å; E548-R552 VanDerWaalsContact OE1-CZ 3.22Å; E548-R552 IonicContact OE1-NE 3.04Å; E548-R552 PolarHBondContact OE1-NE 3.09Å; E548-R552 IonicContact OE1-NH2 3.61Å; E548-R552 PolarHBondContact OE1-NH2 3.02Å; E548-P570 HydrophobicContact CB-CB 4.39Å; E548-D572 PolarHBondContact N-OD1 3.29Å; E548-D572 VanDerWaalsContact N-OD1 3.15Å; E548-D572 PolarHBondContact N-OD2 2.99Å
549K86.3Confident85.4Confident131 Ų13144.1 Ų44.157%0.5721%0.214SC*.Hα-helixtrans-62.4-43.6177.2-171.4-178176.4-1750111.5S547 A551 R552 E553S547-K549 PolarHBondContact O-N 3.3Å; S547-K549 PolarHBondContact OG-N 3.22Å; K549-A551 VanDerWaalsContact C-N 3.34Å; K549-R552 PolarHBondContact O-N 2.95Å; K549-E553 WeakPolarHBondContact CE-OE1 3.44Å; K549-E553 WeakPolarHBondContact O-CG 3.34Å; K549-E553 PolarHBondContact O-N 3.09Å
550V86.5Confident85.3Confident14 Ų1448.9 Ų48.99%0.08524%0.238CC..Hα-helixtrans-67.3-36.6177.5-178.90000110.6Q512 V545 S547 E548 R552 E553 C554Q512-V550 HydrophobicContact CB-CG1 4.5Å; Q512-V550 HydrophobicContact CB-CG2 4.4Å; V545-V550 HydrophobicContact CB-CG1 4.37Å; V545-V550 HydrophobicContact CG1-CG1 4.44Å; S547-V550 PolarHBondContact O-N 3.04Å; S547-V550 VanDerWaalsContact O-N 3.11Å; E548-V550 PolarHBondContact O-N 3.31Å; V550-R552 PolarHBondContact O-N 3.31Å; V550-E553 PolarHBondContact O-N 3.42Å; V550-C554 WeakPolarHBondContact O-CB 3.22Å; V550-C554 PolarHBondContact O-N 3Å; V550-C554 PolarHBondContact O-SG 3.43Å
551A85.5Confident85.3Confident7 Ų753 Ų536%0.05826%0.256CS..Hα-helixtrans-59-46.6172.600000111.5V545 S547 E548 K549 E553 C554 I555 F568V545-A551 HydrophobicContact CG2-CB 3.85Å; S547-A551 PolarHBondContact O-N 2.97Å; E548-A551 WeakPolarHBondContact O-CB 3.4Å; E548-A551 PolarHBondContact O-N 2.9Å; K549-A551 VanDerWaalsContact C-N 3.34Å; A551-E553 PolarHBondContact O-N 2.86Å; A551-C554 PolarHBondContact O-N 3.45Å; A551-I555 WeakPolarHBondContact O-CB 3.12Å; A551-I555 WeakPolarHBondContact O-CD1 3.28Å; A551-I555 WeakPolarHBondContact O-CG1 3.43Å; A551-I555 PolarHBondContact O-N 2.8Å; A551-F568 HydrophobicContact CB-CB 4.01Å; A551-F568 HydrophobicContact CB-CG 4.42Å
552R87Confident85.1Confident150 Ų15059.3 Ų59.357%0.56628%0.275SS*.Hα-helixtrans-62.5-42178.3-80.1-170.4-88.7143.5-9.4112.5E548 K549 V550 I555 A556E548-R552 PolarHBondContact O-N 3.44Å; E548-R552 IonicContact OE1-CZ 3.47Å; E548-R552 VanDerWaalsContact OE1-CZ 3.22Å; E548-R552 IonicContact OE1-NE 3.04Å; E548-R552 PolarHBondContact OE1-NE 3.09Å; E548-R552 IonicContact OE1-NH2 3.61Å; E548-R552 PolarHBondContact OE1-NH2 3.02Å; K549-R552 PolarHBondContact O-N 2.95Å; V550-R552 PolarHBondContact O-N 3.31Å; R552-I555 PolarHBondContact O-N 3.05Å; R552-A556 WeakPolarHBondContact O-CB 3.42Å; R552-A556 PolarHBondContact O-N 3.15Å
553E86.3Confident84.4Confident72 Ų7260.8 Ų60.834%0.33629%0.288SS..Hα-helixtrans-64.3-43.7175.9-70.4172-169.400111.6Y510 K549 V550 A551 I555 A556 F557Y510-E553 HydrophobicContact CE1-CB 3.87Å; Y510-E553 WeakPolarHBondContact CE1-OE2 3.48Å; K549-E553 WeakPolarHBondContact CE-OE1 3.44Å; K549-E553 WeakPolarHBondContact O-CG 3.34Å; K549-E553 PolarHBondContact O-N 3.09Å; V550-E553 PolarHBondContact O-N 3.42Å; A551-E553 PolarHBondContact O-N 2.86Å; E553-I555 PolarHBondContact O-N 2.98Å; E553-A556 PolarHBondContact O-N 3.41Å; E553-F557 PolarHBondContact O-N 3.24Å
554C84.4Confident83.7Confident0 Ų063.7 Ų63.70%030%0.301CS..Hα-helixtrans-63.7-38.9174.7-670000112.2L506 V550 A551 F557 L558 F568L506-C554 HydrophobicContact CD2-CB 3.92Å; V550-C554 WeakPolarHBondContact O-CB 3.22Å; V550-C554 PolarHBondContact O-N 3Å; V550-C554 PolarHBondContact O-SG 3.43Å; A551-C554 PolarHBondContact O-N 3.45Å; C554-F557 PolarHBondContact O-N 3.4Å; C554-L558 VanDerWaalsContact O-CG 3.29Å; C554-L558 WeakPolarHBondContact O-CG 3.21Å; C554-L558 PolarHBondContact O-N 3.18Å; C554-F568 HydrophobicContact CB-CD1 4.41Å; C554-F568 HydrophobicContact CB-CE1 3.59Å; C554-F568 HydrophobicContact CB-CZ 3.75Å
555I86.3Confident83.3Confident62 Ų6269.9 Ų69.932%0.31834%0.341SS..Hα-helixtrans-67-40.1175.8-69.6163.2000111A551 R552 E553 F557 L558 K559 F568A551-I555 WeakPolarHBondContact O-CB 3.12Å; A551-I555 WeakPolarHBondContact O-CD1 3.28Å; A551-I555 WeakPolarHBondContact O-CG1 3.43Å; A551-I555 PolarHBondContact O-N 2.8Å; R552-I555 PolarHBondContact O-N 3.05Å; E553-I555 PolarHBondContact O-N 2.98Å; I555-F557 VanDerWaalsContact C-N 3.34Å; I555-L558 PolarHBondContact O-N 3.35Å; I555-K559 HydrophobicContact CG2-CD 4.32Å; I555-K559 WeakPolarHBondContact O-CG 3.42Å; I555-K559 PolarHBondContact O-N 2.96Å; I555-F568 HydrophobicContact CD1-CD2 3.9Å; I555-F568 HydrophobicContact CD1-CE2 4.34Å; I555-F568 HydrophobicContact CG1-CD2 3.57Å; I555-F568 HydrophobicContact CG1-CE2 3.5Å; I555-F568 VanDerWaalsContact CG1-CE2 3.5Å; I555-F568 HydrophobicContact CG1-CZ 4.38Å
556A85.8Confident83.2Confident44 Ų4471.8 Ų71.836%0.36435%0.35SS..Hα-helixtrans-60.2-46.8174.100000110.7R552 E553 L558 K559 E560R552-A556 WeakPolarHBondContact O-CB 3.42Å; R552-A556 PolarHBondContact O-N 3.15Å; E553-A556 PolarHBondContact O-N 3.41Å; A556-L558 PolarHBondContact O-N 2.96Å; A556-K559 WeakPolarHBondContact O-CB 3.43Å; A556-K559 PolarHBondContact O-N 3.35Å; A556-E560 WeakPolarHBondContact O-CG 2.67Å; A556-E560 PolarHBondContact O-N 3.42Å
557F84.9Confident83.2Confident22 Ų2274.1 Ų74.110%0.09636%0.363CS..Hα-helixtrans-60.7-41.4174.8178.9-96.8000113.1L502 L506 L509 Y510 E553 C554 I555 K559 E560 Q561L502-F557 HydrophobicContact CD1-CE1 4.34Å; L506-F557 HydrophobicContact CD2-CB 4.39Å; L506-F557 HydrophobicContact CD2-CD1 3.4Å; L506-F557 HydrophobicContact CD2-CE1 4Å; L506-F557 HydrophobicContact CD2-CG 4.17Å; L506-F557 HydrophobicContact CG-CD1 4.03Å; L506-F557 HydrophobicContact CG-CE1 4.19Å; L509-F557 HydrophobicContact CD1-CD2 4Å; L509-F557 HydrophobicContact CD1-CE1 4.16Å; L509-F557 HydrophobicContact CD1-CE2 3.35Å; L509-F557 HydrophobicContact CD1-CZ 3.44Å; L509-F557 VanDerWaalsContact CD1-CZ 3.44Å; Y510-F557 HydrophobicContact CE2-CB 4.29Å; E553-F557 PolarHBondContact O-N 3.24Å; C554-F557 PolarHBondContact O-N 3.4Å; I555-F557 VanDerWaalsContact C-N 3.34Å; F557-K559 VanDerWaalsContact C-N 3.33Å; F557-K559 PolarHBondContact O-N 3.16Å; F557-E560 WeakPolarHBondContact O-CB 3.4Å; F557-E560 PolarHBondContact O-N 2.97Å; F557-Q561 HydrophobicContact CD1-CG 4.32Å; F557-Q561 HydrophobicContact CE1-CG 3.87Å; F557-Q561 HydrophobicContact CE2-CG 4.09Å; F557-Q561 HydrophobicContact CZ-CG 3.74Å; F557-Q561 WeakPolarHBondContact O-CG 3.24Å; F557-Q561 PolarHBondContact O-N 2.85Å
558L83.9Confident83.4Confident8 Ų873.6 Ų73.64%0.04236%0.357CS..Hα-helixtrans-62.9-39.1175.5-75.3177.5000112.3L502 L506 C554 I555 A556 Q561 R562 A563 E566 F568L502-L558 HydrophobicContact CD1-CD2 4.1Å; L502-L558 HydrophobicContact CD2-CD2 3.29Å; L502-L558 HydrophobicContact CG-CD2 3.78Å; L506-L558 HydrophobicContact CD1-CD2 4.05Å; L506-L558 HydrophobicContact CD1-CG 4.35Å; C554-L558 VanDerWaalsContact O-CG 3.29Å; C554-L558 WeakPolarHBondContact O-CG 3.21Å; C554-L558 PolarHBondContact O-N 3.18Å; I555-L558 PolarHBondContact O-N 3.35Å; A556-L558 PolarHBondContact O-N 2.96Å; L558-Q561 PolarHBondContact O-N 3.47Å; L558-R562 PolarHBondContact O-N 3.38Å; L558-A563 HydrophobicContact CD2-CB 3.76Å; L558-A563 PolarHBondContact O-N 3.02Å; L558-E566 HydrophobicContact CD1-CB 4.1Å; L558-E566 HydrophobicContact CD1-CG 4.49Å; L558-F568 HydrophobicContact CD1-CE2 3.5Å; L558-F568 VanDerWaalsContact CD1-CE2 3.5Å; L558-F568 HydrophobicContact CD1-CZ 3.44Å; L558-F568 VanDerWaalsContact CD1-CZ 3.44Å; L558-F568 HydrophobicContact CG-CZ 4.44Å
559K82.5Confident83.4Confident158 Ų15870.9 Ų70.969%0.68735%0.345SS*.Hα-helixtrans-65.8-40.8174.9-73.7176.7178.1-176.40111.6I555 A556 F557 Q561 R562I555-K559 HydrophobicContact CG2-CD 4.32Å; I555-K559 WeakPolarHBondContact O-CG 3.42Å; I555-K559 PolarHBondContact O-N 2.96Å; A556-K559 WeakPolarHBondContact O-CB 3.43Å; A556-K559 PolarHBondContact O-N 3.35Å; F557-K559 VanDerWaalsContact C-N 3.33Å; F557-K559 PolarHBondContact O-N 3.16Å; K559-Q561 VanDerWaalsContact C-N 3.34Å; K559-Q561 PolarHBondContact O-N 3.35Å; K559-R562 PolarHBondContact O-N 3.03Å; K559-R562 VanDerWaalsContact O-N 3.17Å
560E82.6Confident83.5Confident143 Ų14365.7 Ų65.767%0.66832%0.324SS*.Hα-helixtrans-61-41.7174.4-73.4173-171.800112.1A556 F557 R562A556-E560 WeakPolarHBondContact O-CG 2.67Å; A556-E560 PolarHBondContact O-N 3.42Å; F557-E560 WeakPolarHBondContact O-CB 3.4Å; F557-E560 PolarHBondContact O-N 2.97Å; E560-R562 PolarHBondContact O-N 3.1Å
561Q78.7Confident83.4Confident104 Ų10465.8 Ų65.849%0.48632%0.324SS..THydrogen-bonded Turntrans-79.50.9178.3-64.6-62.9-45.400113.9L502 F557 L558 K559 A563L502-Q561 HydrophobicContact CD1-CB 4.3Å; F557-Q561 HydrophobicContact CD1-CG 4.32Å; F557-Q561 HydrophobicContact CE1-CG 3.87Å; F557-Q561 HydrophobicContact CE2-CG 4.09Å; F557-Q561 HydrophobicContact CZ-CG 3.74Å; F557-Q561 WeakPolarHBondContact O-CG 3.24Å; F557-Q561 PolarHBondContact O-N 2.85Å; L558-Q561 PolarHBondContact O-N 3.47Å; K559-Q561 VanDerWaalsContact C-N 3.34Å; K559-Q561 PolarHBondContact O-N 3.35Å; Q561-A563 PolarHBondContact O-N 3.01Å; Q561-A563 VanDerWaalsContact O-N 3.17Å
562R77.9Confident83.3Confident201 Ų20169.6 Ų69.676%0.75834%0.343SS*.THydrogen-bonded Turntrans48.936.7-172.6-58.6-175.1-177.6-169.41.6112.7L558 K559 E560L558-R562 PolarHBondContact O-N 3.38Å; K559-R562 PolarHBondContact O-N 3.03Å; K559-R562 VanDerWaalsContact O-N 3.17Å; E560-R562 PolarHBondContact O-N 3.1Å
563A72.5Confident83Confident32 Ų3270.4 Ų70.426%0.26435%0.348SS..PPolyproline II helixtrans-79.4163.9177.300000111.2L502 L558 Q561L502-A563 HydrophobicContact CD1-CB 4.14Å; L502-A563 HydrophobicContact CD2-CB 3.49Å; L502-A563 VanDerWaalsContact CD2-CB 3.49Å; L502-A563 HydrophobicContact CG-CB 4.46Å; L558-A563 HydrophobicContact CD2-CB 3.76Å; L558-A563 PolarHBondContact O-N 3.02Å; Q561-A563 PolarHBondContact O-N 3.01Å; Q561-A563 VanDerWaalsContact O-N 3.17Å
564E73.2Confident82.8Confident66 Ų6668.2 Ų68.231%0.30834%0.338SS..PPolyproline II helixtrans-67.1150.1179.8-64.5-178.9154.100111.7R495 R499 E566R495-E564 IonicContact CZ-OE1 2.89Å; R495-E564 IonicContact CZ-OE2 2.6Å; R495-E564 VanDerWaalsContact NE-CD 3.32Å; R495-E564 IonicContact NE-OE1 3.67Å; R495-E564 PolarHBondContact NE-OE1 3.32Å; R495-E564 IonicContact NE-OE2 3.83Å; R495-E564 PolarHBondContact NE-OE2 3.48Å; R495-E564 VanDerWaalsContact NH2-CD 3.31Å; R495-E564 IonicContact NH2-OE1 3.75Å; R495-E564 PolarHBondContact NH2-OE1 3.41Å; R495-E564 IonicContact NH2-OE2 3.45Å; R495-E564 PolarHBondContact NH2-OE2 3.22Å; R499-E564 IonicContact CZ-OE2 3.55Å; R499-E564 VanDerWaalsContact CZ-OE2 3.24Å; R499-E564 IonicContact NE-OE2 3.3Å; R499-E564 PolarHBondContact NE-OE2 3.36Å; R499-E564 IonicContact NH2-OE2 2.78Å; R499-E564 PolarHBondContact NH2-OE2 3.48Å; E564-E566 PolarHBondContact O-N 2.8Å
565P80.4Confident82.5Confident130 Ų13075.5 Ų75.584%0.84438%0.376SS*.PPolyproline II helixtrans-59.5121175.8-2132.1000111
566E84.1Confident82.1Confident40 Ų4074.4 Ų74.419%0.18737%0.372CS..  trans-110.4151.7174.6-71.4-69.3179.400110.4R499 I543 L558 E564 F568R499-E566 WeakPolarHBondContact CD-OE1 3.45Å; R499-E566 IonicContact CZ-OE1 3.97Å; R499-E566 IonicContact NE-OE1 2.68Å; R499-E566 IonicContact NH1-OE1 3.48Å; I543-E566 HydrophobicContact CD1-CB 4.18Å; I543-E566 HydrophobicContact CD1-CG 4.41Å; L558-E566 HydrophobicContact CD1-CB 4.1Å; L558-E566 HydrophobicContact CD1-CG 4.49Å; E564-E566 PolarHBondContact O-N 2.8Å; E566-F568 HydrophobicContact CB-CE2 4.21Å
567T86.6Confident81.8Confident74 Ų7478.7 Ų78.745%0.45439%0.389SS..  trans-93.8125.8179.3-55.30000110.1S542 I543S542-T567 CarbonylContact C-O 3.56Å; S542-T567 VanDerWaalsContact CA-O 3.23Å; S542-T567 WeakPolarHBondContact CA-O 3.41Å; S542-T567 WeakPolarHBondContact CB-O 3.29Å; I543-T567 PolarHBondContact N-O 3.44Å
568F88.3Confident81.5Confident23 Ų2382.9 Ų82.910%0.10142%0.419CS..EExtended strand (participates in β ladder)trans-105.4139.9178.3-67.8-92.7000111.7I543 V545 A551 C554 I555 L558 E566I543-F568 HydrophobicContact CB-CD1 3.82Å; I543-F568 HydrophobicContact CB-CE1 3.89Å; I543-F568 HydrophobicContact CD1-CE1 3.91Å; I543-F568 HydrophobicContact CD1-CZ 4.03Å; I543-F568 HydrophobicContact CG1-CE1 4.49Å; I543-F568 HydrophobicContact CG2-CD1 3.97Å; I543-F568 HydrophobicContact CG2-CE1 3.87Å; I543-F568 CarbonylContact O-C 3.58Å; I543-F568 VanDerWaalsContact O-CA 3.29Å; I543-F568 WeakPolarHBondContact O-CA 3.22Å; V545-F568 HydrophobicContact CG1-CD1 3.92Å; V545-F568 HydrophobicContact CG1-CE1 4.45Å; A551-F568 HydrophobicContact CB-CB 4.01Å; A551-F568 HydrophobicContact CB-CG 4.42Å; C554-F568 HydrophobicContact CB-CD1 4.41Å; C554-F568 HydrophobicContact CB-CE1 3.59Å; C554-F568 HydrophobicContact CB-CZ 3.75Å; I555-F568 HydrophobicContact CD1-CD2 3.9Å; I555-F568 HydrophobicContact CD1-CE2 4.34Å; I555-F568 HydrophobicContact CG1-CD2 3.57Å; I555-F568 HydrophobicContact CG1-CE2 3.5Å; I555-F568 VanDerWaalsContact CG1-CE2 3.5Å; I555-F568 HydrophobicContact CG1-CZ 4.38Å; L558-F568 HydrophobicContact CD1-CE2 3.5Å; L558-F568 VanDerWaalsContact CD1-CE2 3.5Å; L558-F568 HydrophobicContact CD1-CZ 3.44Å; L558-F568 VanDerWaalsContact CD1-CZ 3.44Å; L558-F568 HydrophobicContact CG-CZ 4.44Å; E566-F568 HydrophobicContact CB-CE2 4.21Å
569L88.3Confident81.3Confident8 Ų884.4 Ų84.44%0.04243%0.426CS..EExtended strand (participates in β ladder)trans-11796.3176.4-65175000109.3Y539 I543 V545 L574 V608 Y611 V612Y539-L569 HydrophobicContact CD1-CD1 4.48Å; Y539-L569 HydrophobicContact CD1-CD2 4.41Å; Y539-L569 HydrophobicContact CE1-CD2 4.46Å; I543-L569 PolarHBondContact O-N 3.02Å; V545-L569 PolarHBondContact N-O 2.91Å; L569-L574 HydrophobicContact CD2-CD1 4.22Å; L569-V608 HydrophobicContact CD1-CG1 3.9Å; L569-Y611 HydrophobicContact CD2-CE1 4.36Å; L569-V612 HydrophobicContact CD1-CG2 4.36Å
570P88.7Confident81.2Confident22 Ų2280 Ų8014%0.14341%0.411CS..EExtended strand (participates in β ladder)trans-76.6127.2175.630.2-32.1000110.9V545 E548 L574V545-P570 HydrophobicContact CG2-CB 4.04Å; V545-P570 WeakPolarHBondContact O-CA 3.46Å; E548-P570 HydrophobicContact CB-CB 4.39Å; P570-L574 WeakPolarHBondContact O-CB 3.28Å; P570-L574 PolarHBondContact O-N 3.37Å
571I84.6Confident81Confident15 Ų1579.6 Ų79.68%0.07741%0.409CS..SBendtrans-70.9-34.7-174.5-64168.3000112.1F514 V544 V545 Q604 L605 V608F514-I571 HydrophobicContact CD2-CD1 3.92Å; F514-I571 HydrophobicContact CE2-CD1 3.63Å; F514-I571 HydrophobicContact CZ-CD1 4.39Å; V544-I571 HydrophobicContact CG1-CD1 3.83Å; V544-I571 HydrophobicContact CG1-CG1 3.83Å; V545-I571 WeakPolarHBondContact O-CG1 3.47Å; V545-I571 PolarHBondContact O-N 2.84Å; I571-Q604 HydrophobicContact CG2-CB 4.21Å; I571-L605 HydrophobicContact CD1-CD2 4.42Å; I571-V608 HydrophobicContact CG1-CG2 3.88Å
572D83.3Confident81Confident87 Ų8784 Ų8447%0.46542%0.421SS..SBendtrans-66.8-38-178.361.4-13.4000113.6S546 S547 E548S546-D572 PolarHBondContact O-N 2.87Å; S547-D572 VanDerWaalsContact CA-CG 3.42Å; S547-D572 WeakPolarHBondContact CA-OD1 3.49Å; S547-D572 WeakPolarHBondContact CA-OD2 3.38Å; S547-D572 WeakPolarHBondContact CB-OD2 3.25Å; S547-D572 PolarHBondContact OG-OD2 2.94Å; E548-D572 PolarHBondContact N-OD1 3.29Å; E548-D572 VanDerWaalsContact N-OD1 3.15Å; E548-D572 PolarHBondContact N-OD2 2.99Å
573Y80.4Confident81Confident168 Ų16875.3 Ų75.366%0.65939%0.389SS*.SBendtrans-98.91.7-174.4-132.1-100.6000113.8L575Y573-L575 PolarHBondContact O-N 2.92Å
574L82Confident81.5Confident26 Ų2679.4 Ų79.414%0.13640%0.398CS..  trans-75.2109.8-177-142.681.4000110.8L569 P570 V576 V608 Y611L569-L574 HydrophobicContact CD2-CD1 4.22Å; P570-L574 WeakPolarHBondContact O-CB 3.28Å; P570-L574 PolarHBondContact O-N 3.37Å; L574-V576 HydrophobicContact CD2-CG2 4.29Å; L574-V576 PolarHBondContact O-N 3.42Å; L574-V608 HydrophobicContact CD2-CB 4.45Å; L574-V608 HydrophobicContact CD2-CG2 4.26Å; L574-Y611 HydrophobicContact CD1-CD1 4.29Å; L574-Y611 HydrophobicContact CD1-CE1 4.41Å; L574-Y611 HydrophobicContact CD1-CG 4.46Å; L574-Y611 VanDerWaalsContact CD2-CB 3.44Å; L574-Y611 HydrophobicContact CD2-CD1 3.96Å; L574-Y611 HydrophobicContact CD2-CD2 4.24Å; L574-Y611 HydrophobicContact CD2-CG 3.63Å; L574-Y611 HydrophobicContact CG-CD1 4.28Å; L574-Y611 HydrophobicContact CG-CD2 4.12Å; L574-Y611 HydrophobicContact CG-CG 3.96Å
575L77.2Confident81.7Confident152 Ų15284 Ų8480%0.79642%0.419SS*.  trans-78.6109.2172.2-71.9167.6000109.8Y573 Y611Y573-L575 PolarHBondContact O-N 2.92Å; L575-Y611 WeakPolarHBondContact O-CD2 3.39Å
576V79Confident81.7Confident39 Ų3978.4 Ų78.424%0.23638%0.382CS..  trans-105.1124.1-178.2-169.40000109.7L574 K607 Q610L574-V576 HydrophobicContact CD2-CG2 4.29Å; L574-V576 PolarHBondContact O-N 3.42Å; V576-K607 HydrophobicContact CG2-CB 4.04Å; V576-K607 WeakPolarHBondContact CG2-O 3.45Å; V576-Q610 HydrophobicContact CG1-CB 3.75Å; V576-Q610 HydrophobicContact CG1-CG 3.42Å; V576-Q610 VanDerWaalsContact CG1-CG 3.42Å
577N78.9Confident81.2Confident135 Ų13582 Ų8272%0.72241%0.409SS*.PPolyproline II helixtrans-73.2139.7172.4-69-13.1000110.2Q610N577-Q610 PolarHBondContact O-NE2 2.76Å
578P78.2Confident80.7Confident110 Ų11081.1 Ų81.171%0.71442%0.415SS*.PPolyproline II helixtrans-61.8139.5175.724.7-31.7000110.5
579L80.1Confident80.4Confident39 Ų3980.7 Ų80.720%0.20441%0.414CS..PPolyproline II helixtrans-68.7138.4177.4-70.1168.1000109.8E581 M591 V593 Q610 N615L579-E581 PolarHBondContact O-N 3.28Å; L579-M591 HydrophobicContact CB-CE 4.33Å; L579-M591 HydrophobicContact CD1-CE 4.21Å; L579-M591 HydrophobicContact CD2-CE 4.45Å; L579-V593 HydrophobicContact CD1-CG1 4.36Å; L579-V593 HydrophobicContact CD1-CG2 4.43Å; L579-V593 HydrophobicContact CD2-CG2 4.14Å; L579-Q610 HydrophobicContact CD1-CG 4.01Å; L579-Q610 HydrophobicContact CD2-CG 4.01Å; L579-Q610 HydrophobicContact CG-CG 3.8Å; L579-N615 WeakPolarHBondContact CA-OD1 3.5Å
580N80.6Confident80.3Confident67 Ų6785.9 Ų85.936%0.35844%0.437SS..  trans-8496.2174.7-170.5-5.5000109.6R582 L583 N615N580-R582 PolarHBondContact O-N 3.36Å; N580-R582 VanDerWaalsContact O-N 3.17Å; N580-R582 WeakPolarHBondContact OD1-CB 3.48Å; N580-R582 PolarHBondContact OD1-N 3.39Å; N580-L583 HydrophobicContact CB-CD1 3.92Å; N580-L583 HydrophobicContact CB-CG 4.06Å; N580-L583 WeakPolarHBondContact O-CB 3.38Å; N580-L583 WeakPolarHBondContact O-CG 3.36Å; N580-L583 PolarHBondContact O-N 3.07Å; N580-N615 PolarHBondContact N-OD1 2.99Å; N580-N615 VanDerWaalsContact N-OD1 3.09Å
581E79.1Confident80.3Confident134 Ų13484.9 Ų84.963%0.62643%0.43SS*.G310 helixtrans-61.9-24.1-175.5-61.6-165.8152.600113.5L579 L583 R584L579-E581 PolarHBondContact O-N 3.28Å; E581-L583 PolarHBondContact O-N 2.82Å; E581-L583 VanDerWaalsContact O-N 3.09Å; E581-R584 WeakPolarHBondContact O-CB 3.32Å; E581-R584 PolarHBondContact O-N 3.23Å
582R76.9Confident80.3Confident197 Ų19784.2 Ų84.274%0.74343%0.426SS*.G310 helixtrans-60.1-20.6174.9-61.2-179.4177.2169.1-0.4113.1N580 R584 E585N580-R582 PolarHBondContact O-N 3.36Å; N580-R582 VanDerWaalsContact O-N 3.17Å; N580-R582 WeakPolarHBondContact OD1-CB 3.48Å; N580-R582 PolarHBondContact OD1-N 3.39Å; R582-R584 VanDerWaalsContact C-N 3.26Å; R582-R584 PolarHBondContact O-N 2.97Å; R582-E585 PolarHBondContact O-N 3.31Å
583L79.6Confident80.4Confident18 Ų1881.3 Ų81.39%0.09441%0.412CS..G310 helixtrans-74.8-14.1177.2-60175.8000113.2N580 E581 E585 I586 M591 N615 L617 V636N580-L583 HydrophobicContact CB-CD1 3.92Å; N580-L583 HydrophobicContact CB-CG 4.06Å; N580-L583 WeakPolarHBondContact O-CB 3.38Å; N580-L583 WeakPolarHBondContact O-CG 3.36Å; N580-L583 PolarHBondContact O-N 3.07Å; E581-L583 PolarHBondContact O-N 2.82Å; E581-L583 VanDerWaalsContact O-N 3.09Å; L583-E585 VanDerWaalsContact C-N 3.34Å; L583-I586 HydrophobicContact CD2-CD1 4.02Å; L583-M591 HydrophobicContact CB-SD 4.43Å; L583-N615 HydrophobicContact CD1-CB 3.75Å; L583-L617 HydrophobicContact CB-CD1 4.43Å; L583-L617 HydrophobicContact CB-CD2 4.16Å; L583-L617 HydrophobicContact CD2-CD1 4.46Å; L583-V636 HydrophobicContact CD1-CG1 4.09Å; L583-V636 HydrophobicContact CD2-CG1 4.45Å; L583-V636 HydrophobicContact CD2-CG2 3.99Å
584R81.3Confident80.6Confident117 Ų11777.2 Ų77.244%0.44240%0.401SS..G310 helixtrans-76.7-19.9173.9-71.5-177.5169.9146.31.5113.3E581 R582 I586 M591 D594E581-R584 WeakPolarHBondContact O-CB 3.32Å; E581-R584 PolarHBondContact O-N 3.23Å; R582-R584 VanDerWaalsContact C-N 3.26Å; R582-R584 PolarHBondContact O-N 2.97Å; R584-I586 VanDerWaalsContact C-N 3.25Å; R584-I586 PolarHBondContact O-N 3.4Å; R584-M591 HydrophobicContact CG-CE 3.97Å; R584-M591 HydrophobicContact CG-CG 4.07Å; R584-M591 HydrophobicContact CG-SD 4.48Å; R584-D594 IonicContact CZ-OD1 3.03Å; R584-D594 IonicContact CZ-OD2 3.4Å; R584-D594 IonicContact NE-OD1 3.47Å; R584-D594 IonicContact NE-OD2 3.81Å; R584-D594 PolarHBondContact NE-OD2 2.85Å; R584-D594 IonicContact NH2-OD1 2.59Å; R584-D594 PolarHBondContact NH2-OD1 3.49Å; R584-D594 IonicContact NH2-OD2 3.48Å; R584-D594 PolarHBondContact NH2-OD2 3.29Å
585E78.6Confident80.7Confident162 Ų16276.3 Ų76.376%0.75740%0.397SS*.G310 helixtrans-81.4-5.1-178.6-62.3176176.300112.7R582 L583 P587R582-E585 PolarHBondContact O-N 3.31Å; L583-E585 VanDerWaalsContact C-N 3.34Å; E585-P587 WeakPolarHBondContact O-CD 3.45Å
586I79.9Confident81.1Confident13 Ų1369.7 Ų69.77%0.06736%0.363CS..SBendtrans-75.2118.7-179.6-56.8178000109.5L583 R584 V589 L617L583-I586 HydrophobicContact CD2-CD1 4.02Å; R584-I586 VanDerWaalsContact C-N 3.25Å; R584-I586 PolarHBondContact O-N 3.4Å; I586-V589 HydrophobicContact CB-CB 4.39Å; I586-V589 HydrophobicContact CG2-CB 4.17Å; I586-V589 HydrophobicContact CG2-CG2 3.81Å; I586-V589 PolarHBondContact O-N 3.37Å; I586-L617 HydrophobicContact CD1-CD1 4.21Å
587P73.9Confident81.4Confident115 Ų11573.1 Ų73.175%0.74738%0.376SS*.THydrogen-bonded Turntrans-66.9137-178.626.7-32.8000110.9E585E585-P587 WeakPolarHBondContact O-CD 3.45Å
588G74.8Confident81.4Confident57 Ų5769 Ų6959%0.58836%0.356SS*.THydrogen-bonded Turntrans83.43.8178.600000115.5
589V83Confident81.1Confident14 Ų1466.6 Ų66.69%0.08534%0.337CS..EExtended strand (participates in β ladder)trans-128.4143.1-174.1-172.20000111.1I586 L617 V618 V628I586-V589 HydrophobicContact CB-CB 4.39Å; I586-V589 HydrophobicContact CG2-CB 4.17Å; I586-V589 HydrophobicContact CG2-CG2 3.81Å; I586-V589 PolarHBondContact O-N 3.37Å; V589-L617 HydrophobicContact CG1-CB 3.52Å; V589-L617 HydrophobicContact CG1-CD1 3.89Å; V589-L617 HydrophobicContact CG1-CD2 4Å; V589-L617 HydrophobicContact CG1-CG 4Å; V589-V618 WeakPolarHBondContact CG1-O 3.43Å; V589-V628 HydrophobicContact CG2-CG2 4.19Å
590K86.3Confident80Confident117 Ų11772.3 Ų72.351%0.50937%0.374SS..EExtended strand (participates in β ladder)trans-124.6143.2176.5-66.2-177.3179.5177.80111L617 V618K590-L617 CarbonylContact O-C 3.46Å; K590-V618 PolarHBondContact N-O 2.61Å; K590-V618 PolarHBondContact O-N 2.71Å
591M87.9Confident78.8Confident1 Ų172.7 Ų72.71%0.00539%0.393CS..EExtended strand (participates in β ladder)trans-70.3137.3173-66.1-140.6-68.800110.9L579 L583 R584 V593 D594 V595 L617L579-M591 HydrophobicContact CB-CE 4.33Å; L579-M591 HydrophobicContact CD1-CE 4.21Å; L579-M591 HydrophobicContact CD2-CE 4.45Å; L583-M591 HydrophobicContact CB-SD 4.43Å; R584-M591 HydrophobicContact CG-CE 3.97Å; R584-M591 HydrophobicContact CG-CG 4.07Å; R584-M591 HydrophobicContact CG-SD 4.48Å; M591-V593 PolarHBondContact O-N 3.45Å; M591-D594 PolarHBondContact O-N 2.93Å; M591-V595 WeakPolarHBondContact O-CG2 3.29Å; M591-L617 HydrophobicContact CB-CD2 4.39Å; M591-L617 HydrophobicContact CG-CD2 3.69Å
592V85.7Confident77.8Confident0 Ų067.6 Ų67.60%037%0.373CS..G310 helixtrans-58.9-34.2-179.7-179.90000111.3V532 V535 D594 V595 V596 C613 A616 V618 V639V532-V592 HydrophobicContact CG2-CG1 4.44Å; V535-V592 HydrophobicContact CB-CG1 4.27Å; V535-V592 HydrophobicContact CG1-CG1 4.05Å; V535-V592 HydrophobicContact CG2-CG1 4.35Å; V535-V592 HydrophobicContact CG2-CG2 4.01Å; V592-D594 VanDerWaalsContact C-N 3.27Å; V592-D594 PolarHBondContact O-N 3.38Å; V592-V595 PolarHBondContact O-N 3.38Å; V592-V595 VanDerWaalsContact O-N 3.16Å; V592-V596 HydrophobicContact CG1-CG2 4.45Å; V592-V596 WeakPolarHBondContact O-CG2 3.44Å; V592-V596 PolarHBondContact O-N 3.32Å; V592-C613 HydrophobicContact CB-CB 4.37Å; V592-C613 HydrophobicContact CG1-CB 4.33Å; V592-A616 HydrophobicContact CB-CB 4.23Å; V592-A616 HydrophobicContact CG2-CB 3.69Å; V592-A616 WeakPolarHBondContact CG2-O 3.46Å; V592-A616 PolarHBondContact N-O 3.1Å; V592-V618 HydrophobicContact CB-CG2 4.29Å; V592-V618 HydrophobicContact CG2-CG2 3.43Å; V592-V618 VanDerWaalsContact CG2-CG2 3.43Å; V592-V639 HydrophobicContact CG2-CG1 4.13Å
593V85.3Confident77.1Confident27 Ų2763.2 Ų63.216%0.16438%0.378CS..G310 helixtrans-58.4-39176.9179.60000111.8L579 M591 V595 V596 C613L579-V593 HydrophobicContact CD1-CG1 4.36Å; L579-V593 HydrophobicContact CD1-CG2 4.43Å; L579-V593 HydrophobicContact CD2-CG2 4.14Å; M591-V593 PolarHBondContact O-N 3.45Å; V593-V595 PolarHBondContact O-N 3.09Å; V593-V596 PolarHBondContact O-N 3.28Å; V593-C613 HydrophobicContact CG2-CB 3.46Å; V593-C613 VanDerWaalsContact CG2-CB 3.46Å
594D84.5Confident76.6Confident81 Ų8167.8 Ų67.843%0.43340%0.399SS..G310 helixtrans-77.8-12.1-176.4-59.6-25.3000112.2R584 M591 V592R584-D594 IonicContact CZ-OD1 3.03Å; R584-D594 IonicContact CZ-OD2 3.4Å; R584-D594 IonicContact NE-OD1 3.47Å; R584-D594 IonicContact NE-OD2 3.81Å; R584-D594 PolarHBondContact NE-OD2 2.85Å; R584-D594 IonicContact NH2-OD1 2.59Å; R584-D594 PolarHBondContact NH2-OD1 3.49Å; R584-D594 IonicContact NH2-OD2 3.48Å; R584-D594 PolarHBondContact NH2-OD2 3.29Å; M591-D594 PolarHBondContact O-N 2.93Å; V592-D594 VanDerWaalsContact C-N 3.27Å; V592-D594 PolarHBondContact O-N 3.38Å
595V84.8Confident76.2Confident7 Ų762.6 Ų62.64%0.04238%0.38CS..G310 helixtrans-101.5-0.3179.8-1240000113.1V524 Y528 M591 V592 V593 V618V524-V595 WeakPolarHBondContact CG2-O 3.36Å; V524-V595 PolarHBondContact N-O 3.14Å; Y528-V595 HydrophobicContact CD1-CG1 3.99Å; Y528-V595 HydrophobicContact CD2-CB 4.41Å; Y528-V595 HydrophobicContact CD2-CG1 3.18Å; Y528-V595 HydrophobicContact CE1-CG1 4.12Å; Y528-V595 HydrophobicContact CE2-CG1 3.31Å; Y528-V595 HydrophobicContact CG-CB 4.43Å; Y528-V595 HydrophobicContact CG-CG1 3.5Å; M591-V595 WeakPolarHBondContact O-CG2 3.29Å; V592-V595 PolarHBondContact O-N 3.38Å; V592-V595 VanDerWaalsContact O-N 3.16Å; V593-V595 PolarHBondContact O-N 3.09Å; V595-V618 HydrophobicContact CG2-CG2 4.18Å
596V85.4Confident76.2Confident13 Ų1356.6 Ų56.68%0.07936%0.362CS..EExtended strand (participates in β ladder)trans-108.4120.3176.71760000109.1C521 V532 F536 V592 V593 V609C521-V596 HydrophobicContact CB-CG1 3.71Å; V532-V596 HydrophobicContact CG1-CG2 3.81Å; V532-V596 HydrophobicContact CG2-CG2 3.96Å; F536-V596 HydrophobicContact CE1-CG2 4.06Å; F536-V596 HydrophobicContact CZ-CG1 4.12Å; F536-V596 HydrophobicContact CZ-CG2 4.12Å; V592-V596 HydrophobicContact CG1-CG2 4.45Å; V592-V596 WeakPolarHBondContact O-CG2 3.44Å; V592-V596 PolarHBondContact O-N 3.32Å; V593-V596 PolarHBondContact O-N 3.28Å; V596-V609 HydrophobicContact CB-CG1 4.27Å; V596-V609 HydrophobicContact CG1-CG1 4.06Å
597Q84.2Confident76.1Confident111 Ų11161.6 Ų61.652%0.51938%0.383SS..EExtended strand (participates in β ladder)trans-91.8135.7173.1-169.6172.98.200109.9C521 S522 V524C521-Q597 CarbonylContact C-O 3.48Å; C521-Q597 WeakPolarHBondContact CA-O 3.38Å; C521-Q597 WeakPolarHBondContact CB-O 3.46Å; S522-Q597 PolarHBondContact N-O 3.29Å; S522-Q597 WeakPolarHBondContact O-CB 3.41Å; S522-Q597 PolarHBondContact O-N 3.08Å; V524-Q597 HydrophobicContact CG2-CB 4.02Å
598V80.2Confident76.6Confident50 Ų5056.1 Ų56.130%0.30335%0.347SS..EExtended strand (participates in β ladder)trans-98131.3173.9-174.80000108.9L605 V609V598-L605 HydrophobicContact CG1-CB 3.88Å; V598-L605 HydrophobicContact CG1-CD1 3.93Å; V598-V609 HydrophobicContact CG2-CG2 3.86Å
599N70.5Confident77Confident59 Ų5953.8 Ų53.832%0.31632%0.322SS..PPolyproline II helixtrans-67.2134.8178.8-71.1-29.1000110.1D519 L520 G601D519-N599 PolarHBondContact O-ND2 3.43Å; L520-N599 PolarHBondContact O-N 3.02Å; N599-G601 PolarHBondContact O-N 2.98Å
600T57Low77.2Confident158 Ų15855.5 Ų55.597%0.96933%0.329SS*.SBendtrans-54.2117.4-167.5-26.20000112.7
601G57Low77.2Confident75 Ų7554.5 Ų54.577%0.77332%0.322SS*.SBendtrans171.4-24.517500000118.6N599N599-G601 PolarHBondContact O-N 2.98Å
602S57.7Low77.1Confident28 Ų2854.6 Ų54.620%0.19632%0.323CS..  trans-162.8117.3177.245.60000113.3Q604 L605S602-Q604 PolarHBondContact O-N 3.22Å; S602-L605 PolarHBondContact O-N 3.27Å; S602-L605 WeakPolarHBondContact OG-CD1 3.42Å; S602-L605 WeakPolarHBondContact OG-CG 3.4Å
603A61.9Low77Confident104 Ų10454.7 Ų54.786%0.8632%0.324SS*.THydrogen-bonded Turntrans-56.7-19173.100000113.2L605 G606A603-L605 VanDerWaalsContact C-N 3.29Å; A603-L605 PolarHBondContact O-N 2.98Å; A603-G606 PolarHBondContact O-N 3.13Å
604Q69.2Low77Confident114 Ų11454.5 Ų54.553%0.53333%0.328SS..THydrogen-bonded Turntrans-67.7-23.1177.3-63175.5-10.800113.5I571 S602 G606I571-Q604 HydrophobicContact CG2-CB 4.21Å; S602-Q604 PolarHBondContact O-N 3.22Å; Q604-G606 VanDerWaalsContact C-N 3.3Å; Q604-G606 PolarHBondContact O-N 3.42Å
605L73.3Confident77Confident9 Ų953.6 Ų53.65%0.04732%0.323CS..Hα-helixtrans-73.2-19.9177.3-71.4170.3000113.3L520 V544 I571 V598 S602 A603 K607 V608 V609L520-L605 HydrophobicContact CD1-CD2 4.12Å; L520-L605 HydrophobicContact CD2-CD1 4.41Å; V544-L605 HydrophobicContact CG1-CD2 3.8Å; I571-L605 HydrophobicContact CD1-CD2 4.42Å; V598-L605 HydrophobicContact CG1-CB 3.88Å; V598-L605 HydrophobicContact CG1-CD1 3.93Å; S602-L605 PolarHBondContact O-N 3.27Å; S602-L605 WeakPolarHBondContact OG-CD1 3.42Å; S602-L605 WeakPolarHBondContact OG-CG 3.4Å; A603-L605 VanDerWaalsContact C-N 3.29Å; A603-L605 PolarHBondContact O-N 2.98Å; L605-K607 PolarHBondContact O-N 2.98Å; L605-V608 WeakPolarHBondContact O-CB 3.47Å; L605-V608 PolarHBondContact O-N 3.33Å; L605-V608 VanDerWaalsContact O-N 3.08Å; L605-V609 PolarHBondContact O-N 2.78Å; L605-V609 VanDerWaalsContact O-N 3.13Å
606G77.3Confident77.2Confident35 Ų3553.2 Ų53.236%0.36132%0.32SS..Hα-helixtrans-59-36.2175.500000112.4A603 Q604 V608 V609 Q610A603-G606 PolarHBondContact O-N 3.13Å; Q604-G606 VanDerWaalsContact C-N 3.3Å; Q604-G606 PolarHBondContact O-N 3.42Å; G606-V608 VanDerWaalsContact C-N 3.31Å; G606-V608 PolarHBondContact O-N 2.91Å; G606-V609 PolarHBondContact O-N 3.32Å; G606-Q610 VanDerWaalsContact O-CB 3.28Å; G606-Q610 WeakPolarHBondContact O-CB 3.39Å; G606-Q610 PolarHBondContact O-N 2.83Å
607K79.3Confident77.4Confident119 Ų11952.6 Ų52.652%0.51732%0.317SS..Hα-helixtrans-60.8-38.7174.9-69.6-174.3177.8-1750112.4V576 L605 Y611V576-K607 HydrophobicContact CG2-CB 4.04Å; V576-K607 WeakPolarHBondContact CG2-O 3.45Å; L605-K607 PolarHBondContact O-N 2.98Å; K607-Y611 WeakPolarHBondContact O-CB 3.34Å; K607-Y611 PolarHBondContact O-N 2.78Å
608V83.2Confident77.6Confident0 Ų047.6 Ų47.60%029%0.294CS..Hα-helixtrans-70.3-44.2179.5-1750000110.7L517 V544 L569 I571 L574 L605 G606 Q610 Y611 V612L517-V608 HydrophobicContact CD1-CG1 3.94Å; V544-V608 HydrophobicContact CG1-CG2 4.05Å; V544-V608 HydrophobicContact CG2-CG1 4.1Å; L569-V608 HydrophobicContact CD1-CG1 3.9Å; I571-V608 HydrophobicContact CG1-CG2 3.88Å; L574-V608 HydrophobicContact CD2-CB 4.45Å; L574-V608 HydrophobicContact CD2-CG2 4.26Å; L605-V608 WeakPolarHBondContact O-CB 3.47Å; L605-V608 PolarHBondContact O-N 3.33Å; L605-V608 VanDerWaalsContact O-N 3.08Å; G606-V608 VanDerWaalsContact C-N 3.31Å; G606-V608 PolarHBondContact O-N 2.91Å; V608-Q610 VanDerWaalsContact C-N 3.34Å; V608-Y611 PolarHBondContact O-N 3.11Å; V608-V612 WeakPolarHBondContact O-CG2 3.3Å; V608-V612 PolarHBondContact O-N 3.2Å
609V84.5Confident78.1Confident8 Ų845.3 Ų45.35%0.04828%0.28CS..Hα-helixtrans-64.2-41.6175.9178.30000110.7V596 V598 L605 G606 Y611 V612 C613V596-V609 HydrophobicContact CB-CG1 4.27Å; V596-V609 HydrophobicContact CG1-CG1 4.06Å; V598-V609 HydrophobicContact CG2-CG2 3.86Å; L605-V609 PolarHBondContact O-N 2.78Å; L605-V609 VanDerWaalsContact O-N 3.13Å; G606-V609 PolarHBondContact O-N 3.32Å; V609-Y611 VanDerWaalsContact C-N 3.33Å; V609-Y611 PolarHBondContact O-N 2.95Å; V609-V612 PolarHBondContact O-N 3.47Å; V609-C613 VanDerWaalsContact O-CB 3.22Å; V609-C613 WeakPolarHBondContact O-CB 3.42Å; V609-C613 PolarHBondContact O-N 3.47Å; V609-C613 PolarHBondContact O-SG 3.37Å; V609-C613 VanDerWaalsContact O-SG 3.36Å
610Q85.9Confident78.8Confident49 Ų4948.2 Ų48.223%0.22929%0.291CS..Hα-helixtrans-62.6-38.3176.2-172.8-180-10.900112.3V576 N577 L579 G606 V608 G614V576-Q610 HydrophobicContact CG1-CB 3.75Å; V576-Q610 HydrophobicContact CG1-CG 3.42Å; V576-Q610 VanDerWaalsContact CG1-CG 3.42Å; N577-Q610 PolarHBondContact O-NE2 2.76Å; L579-Q610 HydrophobicContact CD1-CG 4.01Å; L579-Q610 HydrophobicContact CD2-CG 4.01Å; L579-Q610 HydrophobicContact CG-CG 3.8Å; G606-Q610 VanDerWaalsContact O-CB 3.28Å; G606-Q610 WeakPolarHBondContact O-CB 3.39Å; G606-Q610 PolarHBondContact O-N 2.83Å; V608-Q610 VanDerWaalsContact C-N 3.34Å; Q610-G614 VanDerWaalsContact O-CA 3.24Å; Q610-G614 WeakPolarHBondContact O-CA 3.3Å; Q610-G614 PolarHBondContact O-N 2.9Å
611Y86.3Confident80.1Confident96 Ų9643.8 Ų43.838%0.37626%0.264SS..Hα-helixtrans-66-45.1174.5176.2-99.3000112.9Y539 L569 L574 L575 K607 V608 V609Y539-Y611 HydrophobicContact CE1-CE1 4.45Å; L569-Y611 HydrophobicContact CD2-CE1 4.36Å; L574-Y611 HydrophobicContact CD1-CD1 4.29Å; L574-Y611 HydrophobicContact CD1-CE1 4.41Å; L574-Y611 HydrophobicContact CD1-CG 4.46Å; L574-Y611 VanDerWaalsContact CD2-CB 3.44Å; L574-Y611 HydrophobicContact CD2-CD1 3.96Å; L574-Y611 HydrophobicContact CD2-CD2 4.24Å; L574-Y611 HydrophobicContact CD2-CG 3.63Å; L574-Y611 HydrophobicContact CG-CD1 4.28Å; L574-Y611 HydrophobicContact CG-CD2 4.12Å; L574-Y611 HydrophobicContact CG-CG 3.96Å; L575-Y611 WeakPolarHBondContact O-CD2 3.39Å; K607-Y611 WeakPolarHBondContact O-CB 3.34Å; K607-Y611 PolarHBondContact O-N 2.78Å; V608-Y611 PolarHBondContact O-N 3.11Å; V609-Y611 VanDerWaalsContact C-N 3.33Å; V609-Y611 PolarHBondContact O-N 2.95Å
612V85.4Confident81.2Confident4 Ų445.4 Ų45.42%0.02425%0.253CS..Hα-helixtrans-73.7-42.5-176.5173.60000111.9L517 F536 Y539 L569 V608 V609L517-V612 HydrophobicContact CD2-CB 4.35Å; L517-V612 HydrophobicContact CD2-CG1 4.09Å; L517-V612 HydrophobicContact CD2-CG2 3.91Å; F536-V612 HydrophobicContact CD1-CG1 4.04Å; F536-V612 HydrophobicContact CE1-CG1 4.36Å; F536-V612 HydrophobicContact CG-CG1 4.13Å; Y539-V612 HydrophobicContact CD2-CG1 4.22Å; Y539-V612 HydrophobicContact CD2-CG2 4.5Å; Y539-V612 HydrophobicContact CG-CG1 4.36Å; Y539-V612 HydrophobicContact CG-CG2 4.16Å; L569-V612 HydrophobicContact CD1-CG2 4.36Å; V608-V612 WeakPolarHBondContact O-CG2 3.3Å; V608-V612 PolarHBondContact O-N 3.2Å; V609-V612 PolarHBondContact O-N 3.47Å
613C84.8Confident82.4Confident1 Ų154.7 Ų54.71%0.00728%0.284CS..Hα-helixtrans-77.9-40.7179.1-65.10000111.9F536 V592 V593 V609 A616F536-C613 VanDerWaalsContact CE1-SG 3.52Å; V592-C613 HydrophobicContact CB-CB 4.37Å; V592-C613 HydrophobicContact CG1-CB 4.33Å; V593-C613 HydrophobicContact CG2-CB 3.46Å; V593-C613 VanDerWaalsContact CG2-CB 3.46Å; V609-C613 VanDerWaalsContact O-CB 3.22Å; V609-C613 WeakPolarHBondContact O-CB 3.42Å; V609-C613 PolarHBondContact O-N 3.47Å; V609-C613 PolarHBondContact O-SG 3.37Å; V609-C613 VanDerWaalsContact O-SG 3.36Å; C613-A616 WeakPolarHBondContact O-CB 3.4Å; C613-A616 PolarHBondContact O-N 3.27Å
614G84.3Confident83.4Confident24 Ų2453.7 Ų53.725%0.24726%0.261CS..THydrogen-bonded Turntrans53.2-149.3-171.800000112.6Q610 A616Q610-G614 VanDerWaalsContact O-CA 3.24Å; Q610-G614 WeakPolarHBondContact O-CA 3.3Å; Q610-G614 PolarHBondContact O-N 2.9Å; G614-A616 PolarHBondContact O-N 3.02Å
615N85.8Confident84.1Confident61 Ų6148.3 Ų48.333%0.32624%0.236SC..THydrogen-bonded Turntrans-79.734.7174.5-67.6-24.3000112.7L579 N580 L583 V636L579-N615 WeakPolarHBondContact CA-OD1 3.5Å; N580-N615 PolarHBondContact N-OD1 2.99Å; N580-N615 VanDerWaalsContact N-OD1 3.09Å; L583-N615 HydrophobicContact CD1-CB 3.75Å; N615-V636 WeakPolarHBondContact O-CG1 3.46Å
616A87.4Confident84.5Confident0 Ų055.5 Ų55.50%026%0.263CS..  trans-76.6139179.200000111.5V535 V592 C613 G614 R637V535-A616 HydrophobicContact CG1-CB 4.2Å; V592-A616 HydrophobicContact CB-CB 4.23Å; V592-A616 HydrophobicContact CG2-CB 3.69Å; V592-A616 WeakPolarHBondContact CG2-O 3.46Å; V592-A616 PolarHBondContact N-O 3.1Å; C613-A616 WeakPolarHBondContact O-CB 3.4Å; C613-A616 PolarHBondContact O-N 3.27Å; G614-A616 PolarHBondContact O-N 3.02Å; A616-R637 CarbonylContact C-O 3.57Å; A616-R637 VanDerWaalsContact CA-O 3.31Å; A616-R637 WeakPolarHBondContact CA-O 3.5Å; A616-R637 HydrophobicContact CB-CB 4.46Å; A616-R637 HydrophobicContact CB-CG 4.18Å
617L89.5Confident84.8Confident0 Ų056.4 Ų56.40%026%0.263CS..EExtended strand (participates in β ladder)trans-116.6137.4-176-67.9-177.5000111.5L583 I586 V589 K590 M591 V628 V636 R637 T638 V639L583-L617 HydrophobicContact CB-CD1 4.43Å; L583-L617 HydrophobicContact CB-CD2 4.16Å; L583-L617 HydrophobicContact CD2-CD1 4.46Å; I586-L617 HydrophobicContact CD1-CD1 4.21Å; V589-L617 HydrophobicContact CG1-CB 3.52Å; V589-L617 HydrophobicContact CG1-CD1 3.89Å; V589-L617 HydrophobicContact CG1-CD2 4Å; V589-L617 HydrophobicContact CG1-CG 4Å; K590-L617 CarbonylContact O-C 3.46Å; M591-L617 HydrophobicContact CB-CD2 4.39Å; M591-L617 HydrophobicContact CG-CD2 3.69Å; L617-V628 HydrophobicContact CD1-CG1 4.04Å; L617-V636 HydrophobicContact CD1-CB 4.44Å; L617-V636 HydrophobicContact CD1-CG1 3.68Å; L617-V636 HydrophobicContact CG-CG1 3.98Å; L617-R637 PolarHBondContact N-O 3.2Å; L617-T638 HydrophobicContact CB-CG2 4.25Å; L617-T638 CarbonylContact O-C 3.02Å; L617-T638 VanDerWaalsContact O-CA 3.3Å; L617-T638 WeakPolarHBondContact O-CA 3.37Å; L617-V639 PolarHBondContact O-N 2.9Å
618V90.3Very high84.9Confident6 Ų651.5 Ų51.54%0.03624%0.243CC..EExtended strand (participates in β ladder)trans-98.4125.1173.1-175.20000109.4Y528 A531 V589 K590 V592 V595 V639 L641Y528-V618 HydrophobicContact CD1-CG1 4.02Å; Y528-V618 HydrophobicContact CE1-CG1 4.23Å; A531-V618 HydrophobicContact CB-CG1 4.27Å; V589-V618 WeakPolarHBondContact CG1-O 3.43Å; K590-V618 PolarHBondContact N-O 2.61Å; K590-V618 PolarHBondContact O-N 2.71Å; V592-V618 HydrophobicContact CB-CG2 4.29Å; V592-V618 HydrophobicContact CG2-CG2 3.43Å; V592-V618 VanDerWaalsContact CG2-CG2 3.43Å; V595-V618 HydrophobicContact CG2-CG2 4.18Å; V618-V639 CarbonylContact C-O 3.49Å; V618-V639 WeakPolarHBondContact CA-O 3.48Å; V618-V639 HydrophobicContact CB-CG1 4.32Å; V618-V639 HydrophobicContact CG2-CG1 3.81Å; V618-L641 HydrophobicContact CG1-CD2 4.01Å
619C88.8Confident84.8Confident1 Ų151.6 Ų51.61%0.00724%0.244CC..EExtended strand (participates in β ladder)trans-117.1152.9174.6-53.10000110E624 A625 V639 T640 L641C619-E624 HydrophobicContact CB-CB 4.35Å; C619-A625 HydrophobicContact CB-CB 3.88Å; C619-V639 PolarHBondContact N-O 3.07Å; C619-T640 WeakPolarHBondContact O-CA 3.4Å; C619-L641 PolarHBondContact O-N 2.73Å
620E85.2Confident84.7Confident120 Ų12053.9 Ų53.956%0.56125%0.253SS*.SBendtrans-76.5-45-179.2-61.4-164157.800111.6L641E620-L641 HydrophobicContact CB-CD1 4.18Å; E620-L641 HydrophobicContact CG-CD1 4.15Å
621T84.3Confident84.4Confident65 Ų6557 Ų5740%0.39927%0.271SS..SBendtrans-110.9154.6-177.5690000113.7R623 E624 A625T621-R623 VanDerWaalsContact C-N 3.28Å; T621-R623 PolarHBondContact O-N 3.24Å; T621-E624 PolarHBondContact N-OE2 3.46Å; T621-E624 VanDerWaalsContact N-OE2 3.11Å; T621-E624 PolarHBondContact O-N 2.85Å; T621-E624 WeakPolarHBondContact OG1-CB 3.27Å; T621-E624 WeakPolarHBondContact OG1-CG 3.37Å; T621-E624 PolarHBondContact OG1-N 2.89Å; T621-E624 PolarHBondContact OG1-OE2 2.95Å; T621-A625 WeakPolarHBondContact O-CB 3.42Å; T621-A625 PolarHBondContact O-N 3.06Å
622M82.1Confident83.8Confident109 Ų10958.1 Ų58.154%0.53728%0.275SS..Hα-helixtrans-63.9-32.1176.2-170.8-178.7-177.400113.1R626 T640 T644 F646M622-R626 WeakPolarHBondContact O-CB 3.45Å; M622-R626 PolarHBondContact O-N 2.99Å; M622-T640 HydrophobicContact CB-CG2 4.18Å; M622-T644 HydrophobicContact CE-CG2 4.39Å; M622-F646 HydrophobicContact CE-CZ 4.2Å; M622-F646 HydrophobicContact CG-CZ 4.2Å
623R82.1Confident83Confident223 Ų22364 Ų6484%0.84231%0.314SS*.Hα-helixtrans-67.1-45.8177.7-69.7-175.9177.7177.1-0.8111.1T621 R626 S627T621-R623 VanDerWaalsContact C-N 3.28Å; T621-R623 PolarHBondContact O-N 3.24Å; R623-R626 PolarHBondContact O-N 3.48Å; R623-S627 PolarHBondContact O-N 3Å
624E83Confident82.5Confident84 Ų8469.8 Ų69.839%0.39335%0.345SS..Hα-helixtrans-63.8-45.6174.8-69.7161.316600111.5C619 T621 R626 S627 V628C619-E624 HydrophobicContact CB-CB 4.35Å; T621-E624 PolarHBondContact N-OE2 3.46Å; T621-E624 VanDerWaalsContact N-OE2 3.11Å; T621-E624 PolarHBondContact O-N 2.85Å; T621-E624 WeakPolarHBondContact OG1-CB 3.27Å; T621-E624 WeakPolarHBondContact OG1-CG 3.37Å; T621-E624 PolarHBondContact OG1-N 2.89Å; T621-E624 PolarHBondContact OG1-OE2 2.95Å; E624-R626 VanDerWaalsContact C-N 3.31Å; E624-R626 PolarHBondContact O-N 3.14Å; E624-S627 PolarHBondContact O-N 3.47Å; E624-V628 WeakPolarHBondContact O-CB 3.27Å; E624-V628 WeakPolarHBondContact O-CG2 3.36Å; E624-V628 PolarHBondContact O-N 3.45Å
625A83.1Confident82.3Confident0 Ų075.8 Ų75.80%036%0.36CS..Hα-helixtrans-59.7-40.4179.200000112.7C619 T621 A629 T638 T640 F646C619-A625 HydrophobicContact CB-CB 3.88Å; T621-A625 WeakPolarHBondContact O-CB 3.42Å; T621-A625 PolarHBondContact O-N 3.06Å; A625-A629 WeakPolarHBondContact O-CB 3.27Å; A625-A629 PolarHBondContact O-N 3.38Å; A625-A629 VanDerWaalsContact O-N 3.1Å; A625-T638 PolarHBondContact O-OG1 3.05Å; A625-T640 HydrophobicContact CB-CG2 3.44Å; A625-T640 VanDerWaalsContact CB-CG2 3.44Å; A625-F646 HydrophobicContact CB-CD2 4.01Å; A625-F646 HydrophobicContact CB-CE2 3.77Å
626R83.2Confident82.2Confident161 Ų16173.7 Ų73.761%0.60835%0.349SS*.Hα-helixtrans-67.4-44.7176.4-177.7-179.4176.1174.9-0.4111.5M622 R623 E624 A629 F630 F646M622-R626 WeakPolarHBondContact O-CB 3.45Å; M622-R626 PolarHBondContact O-N 2.99Å; R623-R626 PolarHBondContact O-N 3.48Å; E624-R626 VanDerWaalsContact C-N 3.31Å; E624-R626 PolarHBondContact O-N 3.14Å; R626-A629 PolarHBondContact O-N 2.91Å; R626-F630 HydrophobicContact CG-CD2 4.14Å; R626-F630 PolarHBondContact O-N 3.23Å; R626-F646 HydrophobicContact CB-CE1 4.45Å; R626-F646 HydrophobicContact CB-CZ 4.3Å
627S81.8Confident82.2Confident53 Ų5376.7 Ų76.737%0.37136%0.36SS..Hα-helixtrans-65.1-43.3-178.1-171.30000111.9R623 E624 A629 D631R623-S627 PolarHBondContact O-N 3Å; E624-S627 PolarHBondContact O-N 3.47Å; S627-A629 VanDerWaalsContact C-N 3.3Å; S627-A629 PolarHBondContact O-N 2.96Å; S627-D631 WeakPolarHBondContact CA-OD2 3.28Å; S627-D631 VanDerWaalsContact CB-OD2 3.27Å; S627-D631 WeakPolarHBondContact CB-OD2 3.49Å; S627-D631 VanDerWaalsContact O-CB 3.31Å; S627-D631 WeakPolarHBondContact O-CB 3.13Å; S627-D631 PolarHBondContact O-N 3.03Å; S627-D631 PolarHBondContact OG-OD2 2.81Å
628V82.5Confident82.1Confident17 Ų1776.7 Ų76.710%0.10336%0.36CS..Hα-helixtrans-68.6-29176.4177.70000112.1V589 L617 E624 T638V589-V628 HydrophobicContact CG2-CG2 4.19Å; L617-V628 HydrophobicContact CD1-CG1 4.04Å; E624-V628 WeakPolarHBondContact O-CB 3.27Å; E624-V628 WeakPolarHBondContact O-CG2 3.36Å; E624-V628 PolarHBondContact O-N 3.45Å; V628-T638 HydrophobicContact CB-CG2 4.07Å; V628-T638 HydrophobicContact CG1-CG2 3.79Å
629A81.4Confident82.1Confident1 Ų176.4 Ų76.41%0.00836%0.359CS..Hα-helixtrans-78.8-38179.600000114.6A625 R626 S627 T638 F646A625-A629 WeakPolarHBondContact O-CB 3.27Å; A625-A629 PolarHBondContact O-N 3.38Å; A625-A629 VanDerWaalsContact O-N 3.1Å; R626-A629 PolarHBondContact O-N 2.91Å; S627-A629 VanDerWaalsContact C-N 3.3Å; S627-A629 PolarHBondContact O-N 2.96Å; A629-T638 HydrophobicContact CB-CG2 4.06Å; A629-T638 WeakPolarHBondContact CB-OG1 3.37Å; A629-F646 HydrophobicContact CB-CB 3.77Å; A629-F646 HydrophobicContact CB-CG 4.28Å
630F81.9Confident82.2Confident56 Ų5676.4 Ų76.425%0.24636%0.359CS..Hα-helixtrans-125-23-167.4-61-48.2000116R626 F646 I652R626-F630 HydrophobicContact CG-CD2 4.14Å; R626-F630 PolarHBondContact O-N 3.23Å; F630-F646 AromaticContact CE2-CD1 3.63Å; F630-F646 HydrophobicContact CE2-CD1 3.63Å; F630-F646 HydrophobicContact CE2-CE1 4.26Å; F630-F646 HydrophobicContact CE2-CG 4.5Å; F630-F646 HydrophobicContact CZ-CB 4.44Å; F630-F646 HydrophobicContact CZ-CD1 4.09Å; F630-I652 HydrophobicContact CE2-CD1 4.33Å; F630-I652 HydrophobicContact CE2-CG1 4.44Å; F630-I652 HydrophobicContact CZ-CG1 4.44Å
631D78.8Confident82.2Confident114 Ų11472.6 Ų72.661%0.6134%0.342SS*.SBendtrans-86.4-10.9-174.9-57.4-18.1000112.7S627S627-D631 WeakPolarHBondContact CA-OD2 3.28Å; S627-D631 VanDerWaalsContact CB-OD2 3.27Å; S627-D631 WeakPolarHBondContact CB-OD2 3.49Å; S627-D631 VanDerWaalsContact O-CB 3.31Å; S627-D631 WeakPolarHBondContact O-CB 3.13Å; S627-D631 PolarHBondContact O-N 3.03Å; S627-D631 PolarHBondContact OG-OD2 2.81Å
632R74.2Confident82.1Confident120 Ų12074.6 Ų74.645%0.45335%0.35SS..SBendtrans-93.3152.2174.5-71.2-166.8179.5-163.61.1111.5D634R632-D634 PolarHBondContact O-N 3.4Å
633P68.9Low82Confident129 Ų12969.4 Ų69.484%0.83833%0.325SS*.SBendtrans-60.3-34.5178.122-32000112.5
634D74.4Confident82.3Confident122 Ų12260.1 Ų60.165%0.65229%0.293SS*.SBendtrans-93.3112.3173.3-65.6-27.7000110R632 V636R632-D634 PolarHBondContact O-N 3.4Å; D634-V636 PolarHBondContact O-N 3.04Å
635R80.5Confident82.5Confident149 Ų14956.3 Ų56.356%0.56228%0.275SS*.  trans-72.7124.6175.3-65.9-176.2-179.4-177.40.5110.2T648R635-T648 VanDerWaalsContact O-CG2 3.26Å; R635-T648 WeakPolarHBondContact O-CG2 3.42Å
636V83Confident82.7Confident17 Ų1756.4 Ų56.410%0.10328%0.276CS..  trans-117.8146.3-179.6-171.20000110.5L583 N615 L617 D634 T638L583-V636 HydrophobicContact CD1-CG1 4.09Å; L583-V636 HydrophobicContact CD2-CG1 4.45Å; L583-V636 HydrophobicContact CD2-CG2 3.99Å; N615-V636 WeakPolarHBondContact O-CG1 3.46Å; L617-V636 HydrophobicContact CD1-CB 4.44Å; L617-V636 HydrophobicContact CD1-CG1 3.68Å; L617-V636 HydrophobicContact CG-CG1 3.98Å; D634-V636 PolarHBondContact O-N 3.04Å; V636-T638 PolarHBondContact O-N 2.87Å
637R87.3Confident82.8Confident64 Ų6453 Ų5324%0.24227%0.265CS..  trans-73.4115.6176.3-177.5178179.2-164.3-2.5109.2V535 A616 L617 L645 F646 T648V535-R637 PolarHBondContact O-NH2 2.95Å; A616-R637 CarbonylContact C-O 3.57Å; A616-R637 VanDerWaalsContact CA-O 3.31Å; A616-R637 WeakPolarHBondContact CA-O 3.5Å; A616-R637 HydrophobicContact CB-CB 4.46Å; A616-R637 HydrophobicContact CB-CG 4.18Å; L617-R637 PolarHBondContact N-O 3.2Å; R637-L645 HydrophobicContact CG-CD1 4.01Å; R637-F646 WeakPolarHBondContact CA-O 3.41Å; R637-T648 HydrophobicContact CB-CG2 4.32Å
638T88.5Confident82.8Confident0 Ų054.2 Ų54.20%027%0.271CS..EExtended strand (participates in β ladder)trans-120.5146.418067.90000111.7L617 A625 V628 A629 V636 L645 F646L617-T638 HydrophobicContact CB-CG2 4.25Å; L617-T638 CarbonylContact O-C 3.02Å; L617-T638 VanDerWaalsContact O-CA 3.3Å; L617-T638 WeakPolarHBondContact O-CA 3.37Å; A625-T638 PolarHBondContact O-OG1 3.05Å; V628-T638 HydrophobicContact CB-CG2 4.07Å; V628-T638 HydrophobicContact CG1-CG2 3.79Å; A629-T638 HydrophobicContact CB-CG2 4.06Å; A629-T638 WeakPolarHBondContact CB-OG1 3.37Å; V636-T638 PolarHBondContact O-N 2.87Å; T638-L645 WeakPolarHBondContact O-CD1 3.43Å; T638-F646 PolarHBondContact N-O 3.06Å; T638-F646 VanDerWaalsContact N-O 3.07Å; T638-F646 PolarHBondContact O-N 3.33Å; T638-F646 WeakPolarHBondContact OG1-CD2 3.39Å
639V90Very high82.6Confident0 Ų057.4 Ų57.40%029%0.294CS..EExtended strand (participates in β ladder)trans-130139.517670.20000109.7A531 K534 V535 V592 L617 V618 C619 T644 L645A531-V639 HydrophobicContact CB-CG1 3.98Å; A531-V639 HydrophobicContact CB-CG2 4.24Å; K534-V639 HydrophobicContact CB-CG2 4.31Å; K534-V639 HydrophobicContact CG-CG2 4.45Å; V535-V639 HydrophobicContact CG2-CB 4.02Å; V535-V639 HydrophobicContact CG2-CG1 3.75Å; V535-V639 HydrophobicContact CG2-CG2 4.27Å; V592-V639 HydrophobicContact CG2-CG1 4.13Å; L617-V639 PolarHBondContact O-N 2.9Å; V618-V639 CarbonylContact C-O 3.49Å; V618-V639 WeakPolarHBondContact CA-O 3.48Å; V618-V639 HydrophobicContact CB-CG1 4.32Å; V618-V639 HydrophobicContact CG2-CG1 3.81Å; C619-V639 PolarHBondContact N-O 3.07Å; V639-T644 WeakPolarHBondContact CA-O 3.4Å; V639-L645 HydrophobicContact CB-CD1 3.9Å; V639-L645 HydrophobicContact CG2-CB 4.42Å; V639-L645 HydrophobicContact CG2-CD1 4.23Å
640T90Very high82.3Confident1 Ų159 Ų591%0.00631%0.309CS..EExtended strand (participates in β ladder)trans-87.7160.2173.451.20000111.1C619 M622 A625 D642 G643 T644 F646C619-T640 WeakPolarHBondContact O-CA 3.4Å; M622-T640 HydrophobicContact CB-CG2 4.18Å; A625-T640 HydrophobicContact CB-CG2 3.44Å; A625-T640 VanDerWaalsContact CB-CG2 3.44Å; T640-D642 PolarHBondContact O-N 3.01Å; T640-G643 PolarHBondContact O-N 3.38Å; T640-T644 PolarHBondContact N-O 3.12Å; T640-T644 WeakPolarHBondContact OG1-CA 3.29Å; T640-T644 VanDerWaalsContact OG1-CB 3.26Å; T640-T644 WeakPolarHBondContact OG1-CB 3.45Å; T640-T644 PolarHBondContact OG1-N 3.05Å; T640-T644 PolarHBondContact OG1-O 2.88Å; T640-T644 VanDerWaalsContact OG1-O 3.07Å; T640-F646 HydrophobicContact CG2-CE2 4.47Å
641L86.1Confident82.3Confident39 Ų3959.9 Ų59.920%0.20432%0.32CS..THydrogen-bonded Turntrans-56.8-32.2171.9-66.6176.3000112.6Y528 L530 V618 C619 E620 G643Y528-L641 HydrophobicContact CD1-CD2 3.52Å; Y528-L641 HydrophobicContact CE1-CD2 3.78Å; L530-L641 WeakPolarHBondContact CB-O 3.44Å; V618-L641 HydrophobicContact CG1-CD2 4.01Å; C619-L641 PolarHBondContact O-N 2.73Å; E620-L641 HydrophobicContact CB-CD1 4.18Å; E620-L641 HydrophobicContact CG-CD1 4.15Å; L641-G643 PolarHBondContact O-N 3.19Å
642D81.9Confident82.6Confident107 Ų10759.2 Ų59.257%0.57232%0.315SS*.THydrogen-bonded Turntrans-76-3.2177.4-63.9-31.8000114T640T640-D642 PolarHBondContact O-N 3.01Å
643G80.1Confident82.7Confident1 Ų155 Ų551%0.0130%0.304CS..  trans85.316.7175.300000115.2K534 T640 L641K534-G643 WeakPolarHBondContact CD-O 3.38Å; K534-G643 VanDerWaalsContact CG-O 3.3Å; K534-G643 WeakPolarHBondContact CG-O 3.44Å; T640-G643 PolarHBondContact O-N 3.38Å; L641-G643 PolarHBondContact O-N 3.19Å
644T87.1Confident82.9Confident27 Ų2751.4 Ų51.417%0.16629%0.29CS..  trans-79.1123.3166.8-55.10000109.2M622 V639 T640 F646 I652M622-T644 HydrophobicContact CE-CG2 4.39Å; V639-T644 WeakPolarHBondContact CA-O 3.4Å; T640-T644 PolarHBondContact N-O 3.12Å; T640-T644 WeakPolarHBondContact OG1-CA 3.29Å; T640-T644 VanDerWaalsContact OG1-CB 3.26Å; T640-T644 WeakPolarHBondContact OG1-CB 3.45Å; T640-T644 PolarHBondContact OG1-N 3.05Å; T640-T644 PolarHBondContact OG1-O 2.88Å; T640-T644 VanDerWaalsContact OG1-O 3.07Å; T644-F646 HydrophobicContact CG2-CE2 4.01Å; T644-F646 HydrophobicContact CG2-CZ 4.03Å; T644-I652 HydrophobicContact CG2-CG2 4.2Å
645L87.4Confident82.6Confident5 Ų547.9 Ų47.93%0.02628%0.282CS..EExtended strand (participates in β ladder)trans-112.9128.9-176.3177.476.1000110.8K534 V535 R637 T638 V639 K647 S653K534-L645 HydrophobicContact CG-CB 3.84Å; K534-L645 HydrophobicContact CG-CD2 4.49Å; V535-L645 HydrophobicContact CG2-CD1 4.32Å; R637-L645 HydrophobicContact CG-CD1 4.01Å; T638-L645 WeakPolarHBondContact O-CD1 3.43Å; V639-L645 HydrophobicContact CB-CD1 3.9Å; V639-L645 HydrophobicContact CG2-CB 4.42Å; V639-L645 HydrophobicContact CG2-CD1 4.23Å; L645-K647 HydrophobicContact CD2-CG 4.34Å; L645-S653 PolarHBondContact N-O 3.22Å; L645-S653 PolarHBondContact O-N 2.81Å
646F87.3Confident81.6Confident2 Ų244 Ų441%0.00928%0.278CS..EExtended strand (participates in β ladder)trans-105.3122.4171.6-58-88.7000109.3M622 A625 R626 A629 F630 R637 T638 T640 T644 I652M622-F646 HydrophobicContact CE-CZ 4.2Å; M622-F646 HydrophobicContact CG-CZ 4.2Å; A625-F646 HydrophobicContact CB-CD2 4.01Å; A625-F646 HydrophobicContact CB-CE2 3.77Å; R626-F646 HydrophobicContact CB-CE1 4.45Å; R626-F646 HydrophobicContact CB-CZ 4.3Å; A629-F646 HydrophobicContact CB-CB 3.77Å; A629-F646 HydrophobicContact CB-CG 4.28Å; F630-F646 AromaticContact CE2-CD1 3.63Å; F630-F646 HydrophobicContact CE2-CD1 3.63Å; F630-F646 HydrophobicContact CE2-CE1 4.26Å; F630-F646 HydrophobicContact CE2-CG 4.5Å; F630-F646 HydrophobicContact CZ-CB 4.44Å; F630-F646 HydrophobicContact CZ-CD1 4.09Å; R637-F646 WeakPolarHBondContact CA-O 3.41Å; T638-F646 PolarHBondContact N-O 3.06Å; T638-F646 VanDerWaalsContact N-O 3.07Å; T638-F646 PolarHBondContact O-N 3.33Å; T638-F646 WeakPolarHBondContact OG1-CD2 3.39Å; T640-F646 HydrophobicContact CG2-CE2 4.47Å; T644-F646 HydrophobicContact CG2-CE2 4.01Å; T644-F646 HydrophobicContact CG2-CZ 4.03Å; F646-I652 HydrophobicContact CD1-CB 4.44Å; F646-I652 HydrophobicContact CD1-CD1 4.15Å; F646-I652 HydrophobicContact CD1-CG1 3.82Å; F646-I652 HydrophobicContact CD1-CG2 4.04Å; F646-I652 HydrophobicContact CE1-CD1 3.94Å; F646-I652 HydrophobicContact CE1-CG1 4.03Å; F646-I652 HydrophobicContact CE1-CG2 3.78Å; F646-I652 HydrophobicContact CZ-CG2 4.43Å
647K85.3Confident80.7Confident89 Ų8947.1 Ų47.139%0.38730%0.301SS..  trans-93.7155176.8-67.2-176-179.4175.90111L645 S649 G650 V651L645-K647 HydrophobicContact CD2-CG 4.34Å; K647-S649 PolarHBondContact O-N 3.26Å; K647-S649 VanDerWaalsContact O-N 3.17Å; K647-G650 PolarHBondContact O-N 3.09Å; K647-V651 HydrophobicContact CB-CB 4.43Å; K647-V651 HydrophobicContact CD-CB 4.25Å; K647-V651 HydrophobicContact CD-CG1 4.5Å; K647-V651 PolarHBondContact N-O 3.45Å
648T81.3Confident79.6Confident79 Ų7949.4 Ų49.449%0.48532%0.318SS..THydrogen-bonded Turntrans-59.2-26.4173.654.10000112.9R635 R637 G650R635-T648 VanDerWaalsContact O-CG2 3.26Å; R635-T648 WeakPolarHBondContact O-CG2 3.42Å; R637-T648 HydrophobicContact CB-CG2 4.32Å; T648-G650 PolarHBondContact O-N 3.48Å
649S79.7Confident78.7Confident84 Ų8450 Ų5059%0.58732%0.321SS*.THydrogen-bonded Turntrans-74.9-1.4175.569.70000114.9K647 V651K647-S649 PolarHBondContact O-N 3.26Å; K647-S649 VanDerWaalsContact O-N 3.17Å; S649-V651 VanDerWaalsContact C-N 3.35Å
650G73.9Confident77.7Confident33 Ų3357.3 Ų57.334%0.3435%0.349SS..SBendtrans88.4-6.2-177.600000115.1K647 T648K647-G650 PolarHBondContact O-N 3.09Å; T648-G650 PolarHBondContact O-N 3.48Å
651V82.4Confident76.6Confident76 Ų7661.3 Ų61.346%0.46137%0.373SS..  trans-73.9127.5178.1175.20000110.5K647 S649K647-V651 HydrophobicContact CB-CB 4.43Å; K647-V651 HydrophobicContact CD-CB 4.25Å; K647-V651 HydrophobicContact CD-CG1 4.5Å; K647-V651 PolarHBondContact N-O 3.45Å; S649-V651 VanDerWaalsContact C-N 3.35Å
652I84.4Confident75.7Confident99 Ų9965.4 Ų65.451%0.50839%0.39SS..EExtended strand (participates in β ladder)trans-105.1128174.9-51.2177000108.1F630 T644 F646F630-I652 HydrophobicContact CE2-CD1 4.33Å; F630-I652 HydrophobicContact CE2-CG1 4.44Å; F630-I652 HydrophobicContact CZ-CG1 4.44Å; T644-I652 HydrophobicContact CG2-CG2 4.2Å; F646-I652 HydrophobicContact CD1-CB 4.44Å; F646-I652 HydrophobicContact CD1-CD1 4.15Å; F646-I652 HydrophobicContact CD1-CG1 3.82Å; F646-I652 HydrophobicContact CD1-CG2 4.04Å; F646-I652 HydrophobicContact CE1-CD1 3.94Å; F646-I652 HydrophobicContact CE1-CG1 4.03Å; F646-I652 HydrophobicContact CE1-CG2 3.78Å; F646-I652 HydrophobicContact CZ-CG2 4.43Å
653S77.9Confident75Confident33 Ų3360.6 Ų60.623%0.23136%0.364CS..EExtended strand (participates in β ladder)trans-128124.3176.575.70000111.4K534 L645K534-S653 WeakPolarHBondContact CE-OG 3.42Å; K534-S653 PolarHBondContact NZ-OG 3.02Å; L645-S653 PolarHBondContact N-O 3.22Å; L645-S653 PolarHBondContact O-N 2.81Å
654G71.6Confident74.4Confident53 Ų5366.9 Ų66.955%0.54639%0.388SS..  trans-134.1171.2178.700000112
655G67.8Low73.3Confident47 Ų4767.7 Ų67.749%0.48539%0.394SS..  trans139.3102-178.600000111.3L659G655-L659 VanDerWaalsContact O-CB 3.32Å; G655-L659 WeakPolarHBondContact O-CB 3.47Å
656S61.4Low72.3Confident68 Ų6869.4 Ų69.448%0.47640%0.4SS..Hα-helixtrans-89.4-25.7-168.558.40000114.5R660S656-R660 WeakPolarHBondContact O-CB 3.35Å; S656-R660 WeakPolarHBondContact O-CD 3.41Å; S656-R660 WeakPolarHBondContact O-CG 3.45Å; S656-R660 PolarHBondContact O-N 2.89Å
657S63.7Low71.2Confident83 Ų8372.4 Ų72.458%0.5841%0.414SS*.Hα-helixtrans-69-59.1-177.757.90000112L659 R660 T661S657-L659 PolarHBondContact O-N 3.39Å; S657-R660 PolarHBondContact O-N 3.14Å; S657-R660 VanDerWaalsContact O-N 3.15Å; S657-T661 PolarHBondContact O-N 3.23Å; S657-T661 VanDerWaalsContact O-N 3.11Å; S657-T661 PolarHBondContact O-OG1 3.42Å; S657-T661 VanDerWaalsContact O-OG1 3.11Å
658D64.3Low70Confident111 Ų11171 Ų7159%0.59441%0.409SS*.Hα-helixtrans-61.4-33.5178.4-85.7-0.3000112.8T661 K662D658-T661 PolarHBondContact O-N 3.43Å; D658-K662 WeakPolarHBondContact O-CB 3.47Å; D658-K662 WeakPolarHBondContact O-CG 3.3Å; D658-K662 PolarHBondContact O-N 2.89Å
659L68.6Low69Low14 Ų1473 Ų737%0.07341%0.411CS..Hα-helixtrans-72.1-35.8178.9-158.581.6000111.7L530 T533 K534 G655 S657 K662 A663L530-L659 HydrophobicContact CB-CD2 4.41Å; L530-L659 HydrophobicContact CD2-CB 4.32Å; L530-L659 HydrophobicContact CD2-CD2 3.87Å; L530-L659 HydrophobicContact CD2-CG 4.14Å; T533-L659 HydrophobicContact CG2-CD1 4.37Å; K534-L659 HydrophobicContact CB-CD1 4.07Å; K534-L659 HydrophobicContact CB-CD2 4.04Å; K534-L659 HydrophobicContact CD-CD1 3.53Å; K534-L659 HydrophobicContact CD-CD2 4.14Å; K534-L659 HydrophobicContact CD-CG 4.5Å; K534-L659 HydrophobicContact CG-CD1 4.42Å; G655-L659 VanDerWaalsContact O-CB 3.32Å; G655-L659 WeakPolarHBondContact O-CB 3.47Å; S657-L659 PolarHBondContact O-N 3.39Å; L659-K662 PolarHBondContact O-N 3.12Å; L659-A663 WeakPolarHBondContact O-CB 3.17Å; L659-A663 PolarHBondContact O-N 3.45Å
660R69.2Low68.4Low152 Ų15272 Ų7257%0.57440%0.399SS*.Hα-helixtrans-65.6-42.1172.5-79.6172.6-173.3-129.41.5111.2L530 S656 S657 A663 R664L530-R660 HydrophobicContact CD1-CG 4.49Å; L530-R660 HydrophobicContact CD2-CG 3.76Å; S656-R660 WeakPolarHBondContact O-CB 3.35Å; S656-R660 WeakPolarHBondContact O-CD 3.41Å; S656-R660 WeakPolarHBondContact O-CG 3.45Å; S656-R660 PolarHBondContact O-N 2.89Å; S657-R660 PolarHBondContact O-N 3.14Å; S657-R660 VanDerWaalsContact O-N 3.15Å; R660-A663 PolarHBondContact O-N 3.39Å; R660-R664 PolarHBondContact O-N 3.47Å
661T66.8Low68.1Low86 Ų8672.7 Ų72.753%0.52840%0.396SS..Hα-helixtrans-62-44.9175.4-46.20000111.3S657 D658 R664S657-T661 PolarHBondContact O-N 3.23Å; S657-T661 VanDerWaalsContact O-N 3.11Å; S657-T661 PolarHBondContact O-OG1 3.42Å; S657-T661 VanDerWaalsContact O-OG1 3.11Å; D658-T661 PolarHBondContact O-N 3.43Å; T661-R664 PolarHBondContact O-N 2.94Å
662K66.9Low67.5Low125 Ų12575.4 Ų75.454%0.54340%0.398SS..Hα-helixtrans-68.2-33.9175.9-72.8174.8-176.6171.60113T533 M540 D658 L659 R664 C665T533-K662 HydrophobicContact CG2-CB 4.19Å; M540-K662 HydrophobicContact CE-CB 4.43Å; D658-K662 WeakPolarHBondContact O-CB 3.47Å; D658-K662 WeakPolarHBondContact O-CG 3.3Å; D658-K662 PolarHBondContact O-N 2.89Å; L659-K662 PolarHBondContact O-N 3.12Å; K662-R664 VanDerWaalsContact C-N 3.26Å; K662-R664 PolarHBondContact O-N 3.27Å; K662-C665 WeakPolarHBondContact O-CB 3.14Å; K662-C665 PolarHBondContact O-N 3.09Å; K662-C665 PolarHBondContact O-SG 3.06Å
663A67.1Low67Low5 Ų579 Ų794%0.04141%0.406CS..Hα-helixtrans-66.3-25.5176.800000112.4Q529 L530 T533 L659 R660 C665 W666Q529-A663 HydrophobicContact CG-CB 4.21Å; Q529-A663 PolarHBondContact NE2-O 3.35Å; L530-A663 HydrophobicContact CD2-CB 4.19Å; L530-A663 HydrophobicContact CG-CB 4.48Å; T533-A663 HydrophobicContact CG2-CB 4.47Å; L659-A663 WeakPolarHBondContact O-CB 3.17Å; L659-A663 PolarHBondContact O-N 3.45Å; R660-A663 PolarHBondContact O-N 3.39Å; A663-C665 PolarHBondContact O-N 3.41Å; A663-C665 VanDerWaalsContact O-N 3.08Å; A663-W666 PolarHBondContact O-N 2.93Å
664R68.3Low67Low134 Ų13479.3 Ų79.351%0.50640%0.404SS..G310 helixtrans-64.3-11.2176.1-71.6-177.1179.6175.80.7114.2D489 R660 T661 K662 W666 E667D489-R664 IonicContact OD2-CZ 3.98Å; D489-R664 IonicContact OD2-NH1 2.72Å; D489-R664 PolarHBondContact OD2-NH1 2.8Å; R660-R664 PolarHBondContact O-N 3.47Å; T661-R664 PolarHBondContact O-N 2.94Å; K662-R664 VanDerWaalsContact C-N 3.26Å; K662-R664 PolarHBondContact O-N 3.27Å; R664-W666 PolarHBondContact O-N 3.06Å; R664-E667 WeakPolarHBondContact O-CB 3.29Å; R664-E667 PolarHBondContact O-N 3.49Å
665C64.4Low67.2Low43 Ų4380.9 Ų80.929%0.29140%0.396SS..G310 helixtrans-59.5-26.6173.572.80000113.2M540 K662 A663 E667M540-C665 HydrophobicContact CE-CB 4.35Å; M540-C665 WeakPolarHBondContact CE-SG 3.24Å; K662-C665 WeakPolarHBondContact O-CB 3.14Å; K662-C665 PolarHBondContact O-N 3.09Å; K662-C665 PolarHBondContact O-SG 3.06Å; A663-C665 PolarHBondContact O-N 3.41Å; A663-C665 VanDerWaalsContact O-N 3.08Å; C665-E667 PolarHBondContact O-N 3.23Å
666W66.5Low67.9Low41 Ų4184 Ų8416%0.15540%0.398CS..G310 helixtrans-75.2-10178.1-52107.4000112.9S518 C521 Q529 T533 F536 M540 A663 R664S518-W666 WeakPolarHBondContact O-CZ3 3.44Å; C521-W666 WeakPolarHBondContact O-CZ3 3.26Å; Q529-W666 HydrophobicContact CG-CB 4.27Å; Q529-W666 VanDerWaalsContact CG-CD1 3.4Å; Q529-W666 HydrophobicContact CG-CG 4.07Å; T533-W666 PolarHBondContact OG1-NE1 3.01Å; F536-W666 HydrophobicContact CE2-CH2 4.48Å; M540-W666 HydrophobicContact CG-CZ2 4.43Å; M540-W666 HydrophobicContact SD-CZ2 4.22Å; A663-W666 PolarHBondContact O-N 2.93Å; R664-W666 PolarHBondContact O-N 3.06Å
667E63.3Low68.9Low65 Ų6584.4 Ų84.430%0.30439%0.392SS..G310 helixtrans-945.8-179.7-57.9-177.9156.100113.2K526 R664 C665 K669 D670 V671K526-E667 IonicContact NZ-OE1 3.71Å; R664-E667 WeakPolarHBondContact O-CB 3.29Å; R664-E667 PolarHBondContact O-N 3.49Å; C665-E667 PolarHBondContact O-N 3.23Å; E667-K669 PolarHBondContact O-N 2.92Å; E667-K669 VanDerWaalsContact O-N 3.08Å; E667-D670 WeakPolarHBondContact O-CB 3.49Å; E667-D670 PolarHBondContact O-N 3Å; E667-V671 PolarHBondContact O-N 3.25Å
668E61.5Low70Confident60 Ų6082.7 Ų82.728%0.2837%0.373SS..Hα-helixtrans-58.8-23178.3-83.7-160.2-174.300114.4R500 R672R500-E668 IonicContact CZ-OE1 2.69Å; R500-E668 IonicContact CZ-OE2 2.78Å; R500-E668 IonicContact NH1-OE2 2.9Å; R500-E668 PolarHBondContact NH1-OE2 3.18Å; R500-E668 IonicContact NH2-OE1 2.96Å; R500-E668 PolarHBondContact NH2-OE1 3.04Å; R500-E668 IonicContact NH2-OE2 3.25Å; R500-E668 PolarHBondContact NH2-OE2 3.24Å; E668-R672 PolarHBondContact O-N 2.86Å
669K60.4Low70.9Confident122 Ų12280.5 Ų80.553%0.5336%0.361SS..Hα-helixtrans-71.3-32.5173.9-70.8-177.3-178.9176.10111.6E667 R672 R673E667-K669 PolarHBondContact O-N 2.92Å; E667-K669 VanDerWaalsContact O-N 3.08Å; K669-R672 PolarHBondContact O-N 3.37Å; K669-R673 WeakPolarHBondContact O-CG 3.5Å; K669-R673 PolarHBondContact O-N 2.9Å; K669-R673 VanDerWaalsContact O-N 3.07Å
670D65.3Low71.7Confident63 Ų6385 Ų8534%0.33738%0.382SS..Hα-helixtrans-72.6-40179-61.4-25.5000110.2E667 R672 R673 L674E667-D670 WeakPolarHBondContact O-CB 3.49Å; E667-D670 PolarHBondContact O-N 3Å; D670-R672 VanDerWaalsContact C-N 3.3Å; D670-R672 PolarHBondContact O-N 3.35Å; D670-R673 PolarHBondContact O-N 3.46Å; D670-L674 WeakPolarHBondContact O-CB 3.39Å; D670-L674 VanDerWaalsContact O-CG 3.29Å; D670-L674 WeakPolarHBondContact O-CG 3.38Å; D670-L674 PolarHBondContact O-N 2.84Å
671V68.9Low72.6Confident46 Ų4678.1 Ų78.128%0.27936%0.356SS..Hα-helixtrans-63.3-34.1173.2-179.90000112.4L483 A486 E667 K675L483-V671 HydrophobicContact CD2-CG1 4.23Å; A486-V671 HydrophobicContact CB-CG2 4.29Å; E667-V671 PolarHBondContact O-N 3.25Å; V671-K675 WeakPolarHBondContact O-CG 3.3Å; V671-K675 PolarHBondContact O-N 3.12Å; V671-K675 VanDerWaalsContact O-N 3.09Å
672R68.8Low73.3Confident133 Ų13377.4 Ų77.450%0.50235%0.348SS..Hα-helixtrans-68.5-46.5174.2-94.7-175.4-89.3-167.4-7.9112E668 K669 D670 L674 K675 E676E668-R672 PolarHBondContact O-N 2.86Å; K669-R672 PolarHBondContact O-N 3.37Å; D670-R672 VanDerWaalsContact C-N 3.3Å; D670-R672 PolarHBondContact O-N 3.35Å; R672-L674 VanDerWaalsContact C-N 3.31Å; R672-L674 PolarHBondContact O-N 3.09Å; R672-K675 PolarHBondContact O-N 2.91Å; R672-K675 VanDerWaalsContact O-N 3.14Å; R672-E676 PolarHBondContact O-N 3.34Å
673R75.3Confident74.3Confident176 Ų17675.6 Ų75.666%0.66434%0.344SS*.Hα-helixtrans-58.9-42.1174.8-74.8178.2176.5-178.6-2.4112K669 D670 K675 E676 H677K669-R673 WeakPolarHBondContact O-CG 3.5Å; K669-R673 PolarHBondContact O-N 2.9Å; K669-R673 VanDerWaalsContact O-N 3.07Å; D670-R673 PolarHBondContact O-N 3.46Å; R673-K675 VanDerWaalsContact C-N 3.34Å; R673-K675 PolarHBondContact O-N 3.3Å; R673-E676 PolarHBondContact O-N 3.44Å; R673-H677 VanDerWaalsContact O-CB 3.3Å; R673-H677 WeakPolarHBondContact O-CB 3.37Å; R673-H677 PolarHBondContact O-N 3.47Å
674L77.6Confident75.1Confident38 Ų3879.6 Ų79.620%0.19936%0.362CS..Hα-helixtrans-64.7-36176-70.5169.9000112.6V479 E482 L483 D670 R672 R678V479-L674 HydrophobicContact CG1-CB 4.49Å; V479-L674 HydrophobicContact CG1-CD2 4.3Å; V479-L674 WeakPolarHBondContact CG1-O 3.21Å; E482-L674 HydrophobicContact CB-CD1 4.35Å; E482-L674 WeakPolarHBondContact OE2-CD2 3.4Å; L483-L674 HydrophobicContact CD2-CB 4.43Å; L483-L674 HydrophobicContact CG-CB 4.23Å; D670-L674 WeakPolarHBondContact O-CB 3.39Å; D670-L674 VanDerWaalsContact O-CG 3.29Å; D670-L674 WeakPolarHBondContact O-CG 3.38Å; D670-L674 PolarHBondContact O-N 2.84Å; R672-L674 VanDerWaalsContact C-N 3.31Å; R672-L674 PolarHBondContact O-N 3.09Å; L674-R678 VanDerWaalsContact O-CB 3.26Å; L674-R678 WeakPolarHBondContact O-CB 3.14Å; L674-R678 PolarHBondContact O-N 3.43Å
675K76.1Confident75.8Confident86 Ų8677.2 Ų77.237%0.37436%0.358SS..Hα-helixtrans-68.4-43.5173.9-77.6177.2-177.4176.40112.5L483 V671 R672 R673 R678 D679L483-K675 HydrophobicContact CD2-CG 4.03Å; V671-K675 WeakPolarHBondContact O-CG 3.3Å; V671-K675 PolarHBondContact O-N 3.12Å; V671-K675 VanDerWaalsContact O-N 3.09Å; R672-K675 PolarHBondContact O-N 2.91Å; R672-K675 VanDerWaalsContact O-N 3.14Å; R673-K675 VanDerWaalsContact C-N 3.34Å; R673-K675 PolarHBondContact O-N 3.3Å; K675-R678 PolarHBondContact O-N 3.49Å; K675-D679 VanDerWaalsContact O-CG 3.25Å; K675-D679 PolarHBondContact O-N 3.05Å; K675-D679 VanDerWaalsContact O-OD2 3.1Å
676E82.1Confident76.7Confident113 Ų11382.5 Ų82.553%0.52837%0.371SS..Hα-helixtrans-63.2-43.6176.3-73.8169.6-175.900111R672 R673 D679 Q680R672-E676 PolarHBondContact O-N 3.34Å; R673-E676 PolarHBondContact O-N 3.44Å; E676-D679 PolarHBondContact O-N 3.36Å; E676-Q680 WeakPolarHBondContact O-CG 3.3Å; E676-Q680 PolarHBondContact O-N 2.96Å
677H82.7Confident77.5Confident76 Ų7684.4 Ų84.435%0.35239%0.385SS..Hα-helixtrans-63.6-43.9176.4-16845.9000111.7R673 D679 Q680 L681R673-H677 VanDerWaalsContact O-CB 3.3Å; R673-H677 WeakPolarHBondContact O-CB 3.37Å; R673-H677 PolarHBondContact O-N 3.47Å; H677-D679 VanDerWaalsContact C-N 3.32Å; H677-D679 PolarHBondContact O-N 3.47Å; H677-Q680 WeakPolarHBondContact O-CB 3.26Å; H677-Q680 PolarHBondContact O-N 3.49Å; H677-L681 VanDerWaalsContact O-CG 3.26Å; H677-L681 WeakPolarHBondContact O-CG 3.35Å; H677-L681 PolarHBondContact O-N 2.92Å
678R85.8Confident78.5Confident48 Ų4882.6 Ų82.618%0.18138%0.377CS..Hα-helixtrans-56.7-43.8171.3179.5-14357.2-173.4-6.3112.1L476 V479 M480 L483 L674 K675 L681 M682L476-R678 HydrophobicContact CD1-CB 4.49Å; L476-R678 HydrophobicContact CD1-CG 3.79Å; V479-R678 HydrophobicContact CG1-CB 3.93Å; M480-R678 HydrophobicContact SD-CG 4.39Å; L483-R678 HydrophobicContact CD1-CB 4.32Å; L674-R678 VanDerWaalsContact O-CB 3.26Å; L674-R678 WeakPolarHBondContact O-CB 3.14Å; L674-R678 PolarHBondContact O-N 3.43Å; K675-R678 PolarHBondContact O-N 3.49Å; R678-L681 PolarHBondContact O-N 3.43Å; R678-M682 HydrophobicContact CG-CE 3.78Å; R678-M682 HydrophobicContact CG-SD 4.45Å; R678-M682 VanDerWaalsContact NE-CE 3.3Å; R678-M682 WeakPolarHBondContact O-CB 3.5Å; R678-M682 VanDerWaalsContact O-CG 3.32Å; R678-M682 WeakPolarHBondContact O-CG 3.39Å; R678-M682 PolarHBondContact O-N 3Å
679D82.6Confident79.3Confident64 Ų6482.4 Ų82.434%0.34238%0.382SS..Hα-helixtrans-69.2-34.5-179.9-69.1-30.6000112.4K675 E676 H677 M682 N683K675-D679 VanDerWaalsContact O-CG 3.25Å; K675-D679 PolarHBondContact O-N 3.05Å; K675-D679 VanDerWaalsContact O-OD2 3.1Å; E676-D679 PolarHBondContact O-N 3.36Å; H677-D679 VanDerWaalsContact C-N 3.32Å; H677-D679 PolarHBondContact O-N 3.47Å; D679-M682 WeakPolarHBondContact OD1-CE 3.32Å; D679-N683 WeakPolarHBondContact O-CB 3.39Å; D679-N683 VanDerWaalsContact O-CG 3.3Å; D679-N683 PolarHBondContact O-N 2.91Å; D679-N683 PolarHBondContact O-ND2 3.18Å
680Q87.1Confident80.3Confident109 Ų10984.1 Ų84.151%0.50939%0.385SS..Hα-helixtrans-63.6-51.9170.9-71.9167.3-2.200111.3E676 H677 M682 N683 E684E676-Q680 WeakPolarHBondContact O-CG 3.3Å; E676-Q680 PolarHBondContact O-N 2.96Å; H677-Q680 WeakPolarHBondContact O-CB 3.26Å; H677-Q680 PolarHBondContact O-N 3.49Å; Q680-M682 VanDerWaalsContact C-N 3.3Å; Q680-M682 PolarHBondContact O-N 3.41Å; Q680-N683 PolarHBondContact O-N 3.39Å; Q680-N683 VanDerWaalsContact O-N 3.08Å; Q680-E684 PolarHBondContact O-N 3.33Å
681L86.4Confident80.8Confident7 Ų784.4 Ų84.44%0.03739%0.386CS..Hα-helixtrans-58.6-41.2177.7-66.9172000111.7L472 E475 L476 V479 H677 R678 N683 E684 M685L472-L681 HydrophobicContact CD2-CD2 3.33Å; E475-L681 HydrophobicContact CB-CD1 4.15Å; E475-L681 HydrophobicContact CB-CD2 4.25Å; E475-L681 VanDerWaalsContact OE2-CD2 3.29Å; E475-L681 WeakPolarHBondContact OE2-CD2 3.33Å; L476-L681 HydrophobicContact CD1-CB 4.14Å; L476-L681 HydrophobicContact CD1-CD1 4.5Å; V479-L681 HydrophobicContact CG2-CD1 4.08Å; H677-L681 VanDerWaalsContact O-CG 3.26Å; H677-L681 WeakPolarHBondContact O-CG 3.35Å; H677-L681 PolarHBondContact O-N 2.92Å; R678-L681 PolarHBondContact O-N 3.43Å; L681-N683 PolarHBondContact O-N 2.95Å; L681-E684 PolarHBondContact O-N 3.26Å; L681-M685 WeakPolarHBondContact O-CB 3.16Å; L681-M685 PolarHBondContact O-N 3.06Å
682M82.7Confident81.2Confident72 Ų7286.5 Ų86.536%0.35539%0.392SS..Hα-helixtrans-66.8-33.7176.2-77.9-170.6-61.900113.4L476 R678 D679 Q680 R686L476-M682 HydrophobicContact CD1-CG 4Å; L476-M682 HydrophobicContact CD2-CG 4.28Å; R678-M682 HydrophobicContact CG-CE 3.78Å; R678-M682 HydrophobicContact CG-SD 4.45Å; R678-M682 VanDerWaalsContact NE-CE 3.3Å; R678-M682 WeakPolarHBondContact O-CB 3.5Å; R678-M682 VanDerWaalsContact O-CG 3.32Å; R678-M682 WeakPolarHBondContact O-CG 3.39Å; R678-M682 PolarHBondContact O-N 3Å; D679-M682 WeakPolarHBondContact OD1-CE 3.32Å; Q680-M682 VanDerWaalsContact C-N 3.3Å; Q680-M682 PolarHBondContact O-N 3.41Å; M682-R686 WeakPolarHBondContact O-CB 3.22Å; M682-R686 PolarHBondContact O-N 2.93Å; M682-R686 VanDerWaalsContact O-N 3.12Å
683N86.6Confident81.6Confident86 Ų8689.2 Ų89.246%0.4640%0.402SS..Hα-helixtrans-71.1-45175.1-76.8-22.4000111.1D679 Q680 L681 M685 R686 D687D679-N683 WeakPolarHBondContact O-CB 3.39Å; D679-N683 VanDerWaalsContact O-CG 3.3Å; D679-N683 PolarHBondContact O-N 2.91Å; D679-N683 PolarHBondContact O-ND2 3.18Å; Q680-N683 PolarHBondContact O-N 3.39Å; Q680-N683 VanDerWaalsContact O-N 3.08Å; L681-N683 PolarHBondContact O-N 2.95Å; N683-M685 VanDerWaalsContact C-N 3.32Å; N683-M685 PolarHBondContact O-N 3.36Å; N683-R686 WeakPolarHBondContact O-CA 3.45Å; N683-R686 WeakPolarHBondContact O-CB 3.49Å; N683-R686 PolarHBondContact O-N 2.83Å; N683-D687 PolarHBondContact O-N 3.23Å
684E85.7Confident81.9Confident90 Ų9084.2 Ų84.242%0.42139%0.385SS..Hα-helixtrans-60.2-41.2174.5-73.6-176.2-157.100111.9L472 Q680 L681 R686 D687 L688L472-E684 HydrophobicContact CD1-CB 4.15Å; L472-E684 HydrophobicContact CD2-CB 4.35Å; Q680-E684 PolarHBondContact O-N 3.33Å; L681-E684 PolarHBondContact O-N 3.26Å; E684-R686 VanDerWaalsContact C-N 3.25Å; E684-R686 PolarHBondContact O-N 3.26Å; E684-D687 PolarHBondContact O-N 3.34Å; E684-L688 WeakPolarHBondContact O-CG 3.15Å; E684-L688 PolarHBondContact O-N 3.4Å
685M82.9Confident82Confident84 Ų8487.7 Ų87.741%0.41440%0.4SS..Hα-helixtrans-62.5-34.5174.6-140-15281.300112.1L681 N683 S689L681-M685 WeakPolarHBondContact O-CB 3.16Å; L681-M685 PolarHBondContact O-N 3.06Å; N683-M685 VanDerWaalsContact C-N 3.32Å; N683-M685 PolarHBondContact O-N 3.36Å; M685-S689 WeakPolarHBondContact O-CB 3.43Å; M685-S689 PolarHBondContact O-N 3.4Å
686R83.3Confident82.4Confident153 Ų15386.6 Ų86.658%0.57741%0.407SS*.Hα-helixtrans-70.7-38.3176.5-165.4-177.7-70.5171.4-1111.2M682 N683 E684 S689 R690M682-R686 WeakPolarHBondContact O-CB 3.22Å; M682-R686 PolarHBondContact O-N 2.93Å; M682-R686 VanDerWaalsContact O-N 3.12Å; N683-R686 WeakPolarHBondContact O-CA 3.45Å; N683-R686 WeakPolarHBondContact O-CB 3.49Å; N683-R686 PolarHBondContact O-N 2.83Å; E684-R686 VanDerWaalsContact C-N 3.25Å; E684-R686 PolarHBondContact O-N 3.26Å; R686-S689 PolarHBondContact O-N 2.85Å; R686-S689 PolarHBondContact O-OG 3.38Å; R686-R690 PolarHBondContact O-N 2.7Å
687D83.6Confident82.5Confident82 Ų8285.1 Ų85.144%0.43940%0.403SS..Hα-helixtrans-70.1-40.1176.1-70.1-30.9000112.1N683 E684 S689 R690 L691N683-D687 PolarHBondContact O-N 3.23Å; E684-D687 PolarHBondContact O-N 3.34Å; D687-S689 VanDerWaalsContact C-N 3.28Å; D687-S689 PolarHBondContact O-N 2.93Å; D687-R690 WeakPolarHBondContact O-CB 3.33Å; D687-R690 PolarHBondContact O-N 2.87Å; D687-R690 VanDerWaalsContact O-N 3.08Å; D687-R690 IonicContact OD1-NH1 2.7Å; D687-L691 PolarHBondContact O-N 3.3Å
688L83.6Confident82.6Confident27 Ų2782.5 Ų82.514%0.14139%0.392CS..Hα-helixtrans-62.2-34.7171.1-71.2173.9000112.5V465 R468 L472 E684 R690 L691 K692V465-L688 HydrophobicContact CB-CD2 4.4Å; V465-L688 HydrophobicContact CG1-CB 4.35Å; V465-L688 HydrophobicContact CG1-CD2 4.05Å; V465-L688 HydrophobicContact CG2-CD2 4.1Å; R468-L688 HydrophobicContact CB-CD1 4.37Å; R468-L688 HydrophobicContact CG-CD1 4.03Å; L472-L688 HydrophobicContact CD1-CD1 3.29Å; E684-L688 WeakPolarHBondContact O-CG 3.15Å; E684-L688 PolarHBondContact O-N 3.4Å; L688-R690 PolarHBondContact O-N 3.06Å; L688-L691 HydrophobicContact CD2-CD1 4.28Å; L688-L691 PolarHBondContact O-N 3.43Å; L688-L691 VanDerWaalsContact O-N 3.16Å; L688-K692 PolarHBondContact O-N 3.27Å
689S78.4Confident82.5Confident55 Ų5584.8 Ų84.839%0.38541%0.408SS..Hα-helixtrans-65.8-26174.979.80000113.4M685 R686 D687M685-S689 WeakPolarHBondContact O-CB 3.43Å; M685-S689 PolarHBondContact O-N 3.4Å; R686-S689 PolarHBondContact O-N 2.85Å; R686-S689 PolarHBondContact O-OG 3.38Å; D687-S689 VanDerWaalsContact C-N 3.28Å; D687-S689 PolarHBondContact O-N 2.93Å
690R80.4Confident82.8Confident158 Ų15887 Ų8760%0.59642%0.416SS*.Hα-helixtrans-73.2-39.3171.7-68.3174.1170.6177.6-5.4111.1R686 D687 L688 R693R686-R690 PolarHBondContact O-N 2.7Å; D687-R690 WeakPolarHBondContact O-CB 3.33Å; D687-R690 PolarHBondContact O-N 2.87Å; D687-R690 VanDerWaalsContact O-N 3.08Å; D687-R690 IonicContact OD1-NH1 2.7Å; L688-R690 PolarHBondContact O-N 3.06Å; R690-R693 VanDerWaalsContact O-CB 3.28Å; R690-R693 WeakPolarHBondContact O-CB 3.29Å; R690-R693 PolarHBondContact O-N 2.98Å; R690-R693 VanDerWaalsContact O-N 3.17Å
691L76.9Confident82.8Confident69 Ų6982.9 Ų82.936%0.36140%0.397SS..Hα-helixtrans-66.8-35.2176.2-72.4162.2000112.3V465 D687 L688 R693 K694V465-L691 HydrophobicContact CG1-CB 4.39Å; V465-L691 HydrophobicContact CG2-CB 4.11Å; V465-L691 HydrophobicContact CG2-CD1 4.35Å; D687-L691 PolarHBondContact O-N 3.3Å; L688-L691 HydrophobicContact CD2-CD1 4.28Å; L688-L691 PolarHBondContact O-N 3.43Å; L688-L691 VanDerWaalsContact O-N 3.16Å; L691-R693 PolarHBondContact O-N 2.95Å; L691-R693 VanDerWaalsContact O-N 3.11Å; L691-K694 HydrophobicContact CD2-CD 4.39Å; L691-K694 VanDerWaalsContact O-CB 3.26Å; L691-K694 WeakPolarHBondContact O-CB 3.19Å; L691-K694 WeakPolarHBondContact O-CG 3.33Å; L691-K694 PolarHBondContact O-N 3.13Å
692K76.6Confident82.8Confident91 Ų9185.1 Ų85.140%0.39641%0.409SS..G310 helixtrans-57.9-21.8171-76.8-167.3175.4-171.50114V465 L688 K694 E695V465-K692 HydrophobicContact CG1-CG 3.79Å; L688-K692 PolarHBondContact O-N 3.27Å; K692-K694 PolarHBondContact O-N 2.91Å; K692-E695 WeakPolarHBondContact O-CB 3.35Å; K692-E695 PolarHBondContact O-N 2.91Å
693R78.2Confident83Confident189 Ų18984.7 Ų84.771%0.71342%0.416SS*.G310 helixtrans-65.4-18.2174.7-60179.1179.3-173.8-3.9113R690 L691 E695 A696R690-R693 VanDerWaalsContact O-CB 3.28Å; R690-R693 WeakPolarHBondContact O-CB 3.29Å; R690-R693 PolarHBondContact O-N 2.98Å; R690-R693 VanDerWaalsContact O-N 3.17Å; L691-R693 PolarHBondContact O-N 2.95Å; L691-R693 VanDerWaalsContact O-N 3.11Å; R693-E695 PolarHBondContact O-N 3.37Å; R693-A696 PolarHBondContact O-N 2.98Å
694K80.4Confident83Confident72 Ų7284.6 Ų84.631%0.31341%0.413SS..G310 helixtrans-65.6-13.2171.3-68.7178.4161.8-173.60113L458 E461 L691 K692 A696 N697 L698L458-K694 HydrophobicContact CD1-CB 4.27Å; L458-K694 HydrophobicContact CD1-CD 4.1Å; E461-K694 IonicContact OE2-NZ 3.78Å; E461-K694 PolarHBondContact OE2-NZ 3.3Å; L691-K694 HydrophobicContact CD2-CD 4.39Å; L691-K694 VanDerWaalsContact O-CB 3.26Å; L691-K694 WeakPolarHBondContact O-CB 3.19Å; L691-K694 WeakPolarHBondContact O-CG 3.33Å; L691-K694 PolarHBondContact O-N 3.13Å; K692-K694 PolarHBondContact O-N 2.91Å; K694-A696 PolarHBondContact O-N 2.87Å; K694-N697 WeakPolarHBondContact O-CA 3.42Å; K694-N697 WeakPolarHBondContact O-CB 3.27Å; K694-N697 PolarHBondContact O-N 3.31Å; K694-L698 PolarHBondContact O-N 2.89Å; K694-L698 VanDerWaalsContact O-N 3.07Å
695E80.9Confident83.1Confident110 Ų11080.7 Ų80.751%0.51440%0.396SS..Hα-helixtrans-60.9-31.7174.1-168.6174.5-172.400112.4L462 K692 R693 N697 L698 N699L462-E695 HydrophobicContact CD1-CB 4.24Å; L462-E695 HydrophobicContact CD2-CB 4.38Å; K692-E695 WeakPolarHBondContact O-CB 3.35Å; K692-E695 PolarHBondContact O-N 2.91Å; R693-E695 PolarHBondContact O-N 3.37Å; E695-N697 VanDerWaalsContact C-N 3.31Å; E695-N697 PolarHBondContact O-N 3.22Å; E695-L698 PolarHBondContact O-N 3.47Å; E695-N699 PolarHBondContact O-N 3.41Å; E695-N699 PolarHBondContact O-ND2 2.82Å
696A82.6Confident83.2Confident63 Ų6382.6 Ų82.652%0.52140%0.404SS..Hα-helixtrans-63.7-37.8171.700000112.1R693 K694 N699 Q700R693-A696 PolarHBondContact O-N 2.98Å; K694-A696 PolarHBondContact O-N 2.87Å; A696-N699 PolarHBondContact O-N 2.92Å; A696-Q700 PolarHBondContact O-N 2.84Å
697N84.3Confident83.4Confident82 Ų8276.5 Ų76.544%0.43939%0.388SS..Hα-helixtrans-69.4-36.6176.3-60.1-6.9000111L458 K694 E695 Q700 I701L458-N697 HydrophobicContact CD2-CB 4.16Å; K694-N697 WeakPolarHBondContact O-CA 3.42Å; K694-N697 WeakPolarHBondContact O-CB 3.27Å; K694-N697 PolarHBondContact O-N 3.31Å; E695-N697 VanDerWaalsContact C-N 3.31Å; E695-N697 PolarHBondContact O-N 3.22Å; N697-Q700 WeakPolarHBondContact O-CB 3.48Å; N697-Q700 PolarHBondContact O-N 3.43Å; N697-I701 VanDerWaalsContact O-CG1 3.3Å; N697-I701 WeakPolarHBondContact O-CG1 3.33Å; N697-I701 PolarHBondContact O-N 2.93Å
698L85.4Confident83.5Confident21 Ų2172.7 Ų72.711%0.1137%0.369CS..Hα-helixtrans-62-44.8174.4-17865.3000111.4Q455 L458 T459 L462 K694 E695 Q700 I701 L702Q455-L698 HydrophobicContact CG-CD1 3.85Å; L458-L698 HydrophobicContact CB-CD1 4.36Å; L458-L698 HydrophobicContact CD2-CB 3.82Å; L458-L698 HydrophobicContact CD2-CD1 4.34Å; T459-L698 WeakPolarHBondContact OG1-CD1 3.4Å; L462-L698 HydrophobicContact CD1-CB 4.1Å; L462-L698 HydrophobicContact CD1-CD2 3.78Å; K694-L698 PolarHBondContact O-N 2.89Å; K694-L698 VanDerWaalsContact O-N 3.07Å; E695-L698 PolarHBondContact O-N 3.47Å; L698-Q700 VanDerWaalsContact C-N 3.28Å; L698-Q700 PolarHBondContact O-N 2.94Å; L698-I701 PolarHBondContact O-N 2.88Å; L698-L702 HydrophobicContact CG-CD1 4.15Å; L698-L702 WeakPolarHBondContact O-CB 3.47Å; L698-L702 PolarHBondContact O-N 2.91Å
699N84.8Confident83.7Confident97 Ų9776.5 Ų76.552%0.51939%0.385SS..Hα-helixtrans-63.7-35.5176.6-71.7-27.3000112.2E695 A696 A703E695-N699 PolarHBondContact O-N 3.41Å; E695-N699 PolarHBondContact O-ND2 2.82Å; A696-N699 PolarHBondContact O-N 2.92Å; N699-A703 PolarHBondContact O-N 3.02Å; N699-A703 VanDerWaalsContact O-N 3.09Å
700Q87.5Confident84.1Confident110 Ų11077.2 Ų77.251%0.51439%0.388SS..Hα-helixtrans-65.7-48.1173.2-177.3178.1-10.500111.7A696 N697 L698 L702 A703 E704A696-Q700 PolarHBondContact O-N 2.84Å; N697-Q700 WeakPolarHBondContact O-CB 3.48Å; N697-Q700 PolarHBondContact O-N 3.43Å; L698-Q700 VanDerWaalsContact C-N 3.28Å; L698-Q700 PolarHBondContact O-N 2.94Å; Q700-L702 VanDerWaalsContact C-N 3.32Å; Q700-L702 PolarHBondContact O-N 2.99Å; Q700-A703 PolarHBondContact O-N 3.21Å; Q700-E704 WeakPolarHBondContact CG-OE1 3.49Å; Q700-E704 PolarHBondContact NE2-OE1 2.79Å; Q700-E704 WeakPolarHBondContact O-CG 3.38Å; Q700-E704 PolarHBondContact O-N 2.79Å
701I87.8Confident84.5Confident22 Ų2275.8 Ų75.811%0.11338%0.382CS..Hα-helixtrans-61.5-40.4177.7-69166.4000110.9L451 Q454 Q455 L458 N697 L698 A703 E704 S705L451-I701 HydrophobicContact CD2-CG2 4.19Å; Q454-I701 HydrophobicContact CB-CD1 4.33Å; Q455-I701 HydrophobicContact CB-CG2 4.07Å; L458-I701 HydrophobicContact CD2-CD1 4.08Å; N697-I701 VanDerWaalsContact O-CG1 3.3Å; N697-I701 WeakPolarHBondContact O-CG1 3.33Å; N697-I701 PolarHBondContact O-N 2.93Å; L698-I701 PolarHBondContact O-N 2.88Å; I701-A703 PolarHBondContact O-N 2.95Å; I701-E704 PolarHBondContact O-N 2.86Å; I701-S705 VanDerWaalsContact O-CB 3.24Å; I701-S705 WeakPolarHBondContact O-CB 3.3Å; I701-S705 PolarHBondContact O-N 2.86Å
702L87.1Confident85.1Confident55 Ų5574.3 Ų74.329%0.28837%0.374SS..Hα-helixtrans-60.7-43.8174.6-86.6163.7000112.2Q455 L698 Q700 Q706Q455-L702 HydrophobicContact CG-CD2 4.41Å; Q455-L702 HydrophobicContact CG-CG 4.48Å; L698-L702 HydrophobicContact CG-CD1 4.15Å; L698-L702 WeakPolarHBondContact O-CB 3.47Å; L698-L702 PolarHBondContact O-N 2.91Å; Q700-L702 VanDerWaalsContact C-N 3.32Å; Q700-L702 PolarHBondContact O-N 2.99Å; L702-Q706 WeakPolarHBondContact O-CB 3.46Å; L702-Q706 WeakPolarHBondContact O-CG 3.4Å; L702-Q706 PolarHBondContact O-N 2.83Å
703A85.9Confident85.7Confident62 Ų6277.1 Ų77.151%0.51239%0.386SS..Hα-helixtrans-66.4-40176.600000111.8N699 Q700 I701 G707N699-A703 PolarHBondContact O-N 3.02Å; N699-A703 VanDerWaalsContact O-N 3.09Å; Q700-A703 PolarHBondContact O-N 3.21Å; I701-A703 PolarHBondContact O-N 2.95Å; A703-G707 PolarHBondContact O-N 2.91Å
704E86.9Confident86.1Confident84 Ų8475.6 Ų75.639%0.39338%0.381SS..Hα-helixtrans-66.6-41.7176.5-72.6175.2-168.100111.9L451 Q700 I701 G707 A708L451-E704 HydrophobicContact CD1-CB 4.29Å; Q700-E704 WeakPolarHBondContact CG-OE1 3.49Å; Q700-E704 PolarHBondContact NE2-OE1 2.79Å; Q700-E704 WeakPolarHBondContact O-CG 3.38Å; Q700-E704 PolarHBondContact O-N 2.79Å; I701-E704 PolarHBondContact O-N 2.86Å; E704-G707 PolarHBondContact O-N 2.84Å; E704-A708 WeakPolarHBondContact O-CB 3.38Å; E704-A708 PolarHBondContact O-N 3.04Å
705S87.4Confident86.4Confident8 Ų872.8 Ų72.86%0.05637%0.371CS..Hα-helixtrans-62.8-49.9175.2178.60000111.4I701 G707 A708 Q709I701-S705 VanDerWaalsContact O-CB 3.24Å; I701-S705 WeakPolarHBondContact O-CB 3.3Å; I701-S705 PolarHBondContact O-N 2.86Å; S705-G707 VanDerWaalsContact C-N 3.3Å; S705-G707 PolarHBondContact O-N 3.49Å; S705-A708 PolarHBondContact O-N 3.39Å; S705-Q709 WeakPolarHBondContact O-CB 3.49Å; S705-Q709 PolarHBondContact O-N 3.38Å
706Q86.1Confident86.9Confident125 Ų12575.1 Ų75.158%0.58437%0.374SS*.Hα-helixtrans-60.9-39.1174.7-76.1-175.3-2.900112.4L702 Q709 T710L702-Q706 WeakPolarHBondContact O-CB 3.46Å; L702-Q706 WeakPolarHBondContact O-CG 3.4Å; L702-Q706 PolarHBondContact O-N 2.83Å; Q706-Q709 PolarHBondContact O-N 2.81Å; Q706-T710 VanDerWaalsContact O-CB 3.32Å; Q706-T710 WeakPolarHBondContact O-CB 3.48Å; Q706-T710 PolarHBondContact O-N 3.21Å; Q706-T710 PolarHBondContact O-OG1 3.15Å
707G86.7Confident87.2Confident24 Ų2475 Ų7525%0.24737%0.368CS..Hα-helixtrans-63.1-45.8174.800000112.3A703 E704 S705 T710 R711A703-G707 PolarHBondContact O-N 2.91Å; E704-G707 PolarHBondContact O-N 2.84Å; S705-G707 VanDerWaalsContact C-N 3.3Å; S705-G707 PolarHBondContact O-N 3.49Å; G707-T710 PolarHBondContact O-N 3.03Å; G707-R711 WeakPolarHBondContact O-CG 3.39Å; G707-R711 PolarHBondContact O-N 2.88Å; G707-R711 PolarHBondContact O-NE 3.26Å
708A85.3Confident87.3Confident3 Ų374.9 Ų74.93%0.02537%0.367CS..Hα-helixtrans-63.5-41.2175.600000111.8L448 E704 S705 R711 M712L448-A708 HydrophobicContact CD1-CB 4.23Å; E704-A708 WeakPolarHBondContact O-CB 3.38Å; E704-A708 PolarHBondContact O-N 3.04Å; S705-A708 PolarHBondContact O-N 3.39Å; A708-R711 PolarHBondContact O-N 3.43Å; A708-M712 WeakPolarHBondContact O-CB 3.5Å; A708-M712 PolarHBondContact O-N 3.29Å
709Q88.9Confident87.6Confident106 Ų10675 Ų7550%0.49537%0.367SS..Hα-helixtrans-64.4-43.1178.6-161.9169.512.400112L448 S705 Q706 M712 K713L448-Q709 VanDerWaalsContact CD1-CA 3.4Å; L448-Q709 HydrophobicContact CD1-CB 3.67Å; L448-Q709 HydrophobicContact CD1-CG 4.05Å; S705-Q709 WeakPolarHBondContact O-CB 3.49Å; S705-Q709 PolarHBondContact O-N 3.38Å; Q706-Q709 PolarHBondContact O-N 2.81Å; Q709-M712 PolarHBondContact O-N 3.33Å; Q709-K713 WeakPolarHBondContact O-CB 3.32Å; Q709-K713 PolarHBondContact O-N 3.48Å
710T86.3Confident87.9Confident70 Ų7076.1 Ų76.143%0.42937%0.369SS..Hα-helixtrans-64.5-45.4177.3-58.80000110.8Q706 G707 M712 K713 Y714Q706-T710 VanDerWaalsContact O-CB 3.32Å; Q706-T710 WeakPolarHBondContact O-CB 3.48Å; Q706-T710 PolarHBondContact O-N 3.21Å; Q706-T710 PolarHBondContact O-OG1 3.15Å; G707-T710 PolarHBondContact O-N 3.03Å; T710-M712 PolarHBondContact O-N 3.2Å; T710-K713 PolarHBondContact O-N 2.82Å; T710-Y714 HydrophobicContact CG2-CD2 3.81Å; T710-Y714 HydrophobicContact CG2-CE2 3.34Å; T710-Y714 WeakPolarHBondContact O-CD2 3.39Å; T710-Y714 PolarHBondContact O-N 2.95Å; T710-Y714 VanDerWaalsContact O-N 3.08Å
711R88.3Confident88Confident129 Ų12974.4 Ų74.449%0.48736%0.363SS..Hα-helixtrans-60-42.7174-74.7-176.1-67.9-112.41.5112.4G707 A708 Y714 T715G707-R711 WeakPolarHBondContact O-CG 3.39Å; G707-R711 PolarHBondContact O-N 2.88Å; G707-R711 PolarHBondContact O-NE 3.26Å; A708-R711 PolarHBondContact O-N 3.43Å; R711-Y714 PolarHBondContact O-N 3.33Å; R711-T715 WeakPolarHBondContact O-CB 3.48Å; R711-T715 PolarHBondContact O-N 2.9Å; R711-T715 PolarHBondContact O-OG1 2.75Å
712M88.9Confident88Confident37 Ų3774 Ų7418%0.18236%0.361CS..Hα-helixtrans-62.8-43.4176.5-171.2-175.27500111.1T441 C444 K445 A708 Q709 T710 T715 R716T441-M712 HydrophobicContact CG2-CG 4.17Å; C444-M712 HydrophobicContact CB-CB 4.26Å; C444-M712 HydrophobicContact CB-CG 4.47Å; K445-M712 HydrophobicContact CB-SD 4.21Å; A708-M712 WeakPolarHBondContact O-CB 3.5Å; A708-M712 PolarHBondContact O-N 3.29Å; Q709-M712 PolarHBondContact O-N 3.33Å; T710-M712 PolarHBondContact O-N 3.2Å; M712-T715 PolarHBondContact O-N 2.79Å; M712-R716 WeakPolarHBondContact O-CB 3.48Å; M712-R716 PolarHBondContact O-N 2.77Å
713K89.6Confident88.1Confident150 Ų15077 Ų7765%0.65237%0.369SS*.Hα-helixtrans-60.7-46.8178.4-173.5179.2178.4-178.70112Q709 T710 T717Q709-K713 WeakPolarHBondContact O-CB 3.32Å; Q709-K713 PolarHBondContact O-N 3.48Å; T710-K713 PolarHBondContact O-N 2.82Å; K713-T717 WeakPolarHBondContact O-CB 3.36Å; K713-T717 PolarHBondContact O-N 3.17Å; K713-T717 PolarHBondContact O-OG1 3.34Å
714Y87.1Confident88.1Confident157 Ų15777.3 Ų77.362%0.61637%0.367SS*.Hα-helixtrans-63.4-50.4177.1-72.6-61000111.9T710 R711 R716 T717 D718T710-Y714 HydrophobicContact CG2-CD2 3.81Å; T710-Y714 HydrophobicContact CG2-CE2 3.34Å; T710-Y714 WeakPolarHBondContact O-CD2 3.39Å; T710-Y714 PolarHBondContact O-N 2.95Å; T710-Y714 VanDerWaalsContact O-N 3.08Å; R711-Y714 PolarHBondContact O-N 3.33Å; Y714-R716 VanDerWaalsContact C-N 3.28Å; Y714-R716 PolarHBondContact O-N 3.03Å; Y714-T717 PolarHBondContact O-N 3.12Å; Y714-T717 VanDerWaalsContact O-N 3.13Å; Y714-D718 PolarHBondContact O-N 2.65Å
715T87.1Confident88.1Confident14 Ų1479.1 Ų79.19%0.08637%0.374CS..Hα-helixtrans-59-41.2179.8-49.90000111.5L437 Y440 T441 R711 M712 D718 L719L437-T715 HydrophobicContact CB-CG2 4.22Å; L437-T715 HydrophobicContact CD2-CG2 3.71Å; Y440-T715 HydrophobicContact CD1-CG2 3.82Å; T441-T715 WeakPolarHBondContact OG1-CG2 3.34Å; R711-T715 WeakPolarHBondContact O-CB 3.48Å; R711-T715 PolarHBondContact O-N 2.9Å; R711-T715 PolarHBondContact O-OG1 2.75Å; M712-T715 PolarHBondContact O-N 2.79Å; T715-D718 PolarHBondContact O-N 3.05Å; T715-L719 WeakPolarHBondContact O-CB 3.3Å; T715-L719 PolarHBondContact O-N 2.99Å
716R90.1Very high88Confident158 Ų15881 Ų8160%0.59639%0.385SS*.Hα-helixtrans-66.6-40.4177.9-172.1174.5-178.2158.10.6112.2M712 Y714 L719 E720M712-R716 WeakPolarHBondContact O-CB 3.48Å; M712-R716 PolarHBondContact O-N 2.77Å; Y714-R716 VanDerWaalsContact C-N 3.28Å; Y714-R716 PolarHBondContact O-N 3.03Å; R716-L719 PolarHBondContact O-N 2.79Å; R716-E720 WeakPolarHBondContact O-CB 3.32Å; R716-E720 PolarHBondContact O-N 3.04Å
717T89.1Confident88.2Confident62 Ų6276 Ų7638%0.3836%0.362SS..Hα-helixtrans-64.6-43.2175.9-51.20000110.6K713 Y714 E720 I721K713-T717 WeakPolarHBondContact O-CB 3.36Å; K713-T717 PolarHBondContact O-N 3.17Å; K713-T717 PolarHBondContact O-OG1 3.34Å; Y714-T717 PolarHBondContact O-N 3.12Å; Y714-T717 VanDerWaalsContact O-N 3.13Å; T717-E720 PolarHBondContact O-N 2.87Å; T717-I721 HydrophobicContact CG2-CD1 4.1Å; T717-I721 VanDerWaalsContact O-CG1 3.28Å; T717-I721 WeakPolarHBondContact O-CG1 3.45Å; T717-I721 PolarHBondContact O-N 3.21Å
718D87.4Confident88.4Confident79 Ų7977.3 Ų77.342%0.42237%0.366SS..Hα-helixtrans-63.3-42.9176.9-74.6-5.3000111.9Y714 T715 I721 L722Y714-D718 PolarHBondContact O-N 2.65Å; T715-D718 PolarHBondContact O-N 3.05Å; D718-I721 PolarHBondContact O-N 2.98Å; D718-L722 WeakPolarHBondContact O-CB 3.16Å; D718-L722 PolarHBondContact O-N 2.75Å
719L91.6Very high88.5Confident22 Ų2284.3 Ų84.312%0.11540%0.396CS..Hα-helixtrans-62.6-41.9175.1-179146000111.7L437 E438 T715 R716 L722 R723L437-L719 HydrophobicContact CB-CB 4.41Å; L437-L719 HydrophobicContact CB-CD1 4.09Å; E438-L719 VanDerWaalsContact CA-CD1 3.48Å; E438-L719 HydrophobicContact CB-CD1 3.61Å; E438-L719 HydrophobicContact CG-CD1 4.1Å; T715-L719 WeakPolarHBondContact O-CB 3.3Å; T715-L719 PolarHBondContact O-N 2.99Å; R716-L719 PolarHBondContact O-N 2.79Å; L719-L722 PolarHBondContact O-N 3.41Å; L719-R723 PolarHBondContact O-N 3.46Å
720E90.1Very high88.5Confident121 Ų12180 Ų8057%0.56538%0.377SS*.Hα-helixtrans-64.4-42.2176.9-173.4173.5-176.300111.4R716 T717 R723 S724R716-E720 WeakPolarHBondContact O-CB 3.32Å; R716-E720 PolarHBondContact O-N 3.04Å; T717-E720 PolarHBondContact O-N 2.87Å; E720-R723 PolarHBondContact O-N 2.84Å; E720-S724 WeakPolarHBondContact O-CB 3.43Å; E720-S724 PolarHBondContact O-N 3.45Å; E720-S724 PolarHBondContact O-OG 3.02Å
721I90Very high88.7Confident75 Ų7580.9 Ų80.939%0.38538%0.377SS..Hα-helixtrans-62.1-45.2174.7-68.3164.5000110.8T717 D718 K725 T726T717-I721 HydrophobicContact CG2-CD1 4.1Å; T717-I721 VanDerWaalsContact O-CG1 3.28Å; T717-I721 WeakPolarHBondContact O-CG1 3.45Å; T717-I721 PolarHBondContact O-N 3.21Å; D718-I721 PolarHBondContact O-N 2.98Å; I721-K725 WeakPolarHBondContact O-CB 3.49Å; I721-K725 PolarHBondContact O-N 3.12Å; I721-T726 PolarHBondContact O-N 3.37Å
722L88.3Confident88.7Confident14 Ų1477.7 Ų77.77%0.07338%0.378CS..Iπ-helixtrans-60.1-49.7177.8-89.2153.6000111.9F430 R433 L437 D718 L719 T726 I727F430-L722 HydrophobicContact CB-CD2 4.22Å; F430-L722 HydrophobicContact CD1-CD2 3.98Å; F430-L722 HydrophobicContact CG-CD2 4.35Å; R433-L722 HydrophobicContact CG-CD1 4.36Å; L437-L722 HydrophobicContact CD1-CD1 3.51Å; D718-L722 WeakPolarHBondContact O-CB 3.16Å; D718-L722 PolarHBondContact O-N 2.75Å; L719-L722 PolarHBondContact O-N 3.41Å; L722-T726 PolarHBondContact O-N 3.03Å; L722-I727 WeakPolarHBondContact O-CB 3.41Å; L722-I727 WeakPolarHBondContact O-CG1 3.28Å; L722-I727 PolarHBondContact O-N 3.19Å
723R88.8Confident88.6Confident118 Ų11879.3 Ų79.345%0.44539%0.385SS..Iπ-helixtrans-71.7-43.6-179-85.1-168.3166.6157.24.5114E438 L719 E720 P728E438-R723 VanDerWaalsContact CD-NH2 3.34Å; E438-R723 IonicContact OE1-CZ 2.73Å; E438-R723 IonicContact OE1-NH1 3.41Å; E438-R723 PolarHBondContact OE1-NH1 3.2Å; E438-R723 IonicContact OE1-NH2 3.6Å; E438-R723 PolarHBondContact OE1-NH2 2.99Å; E438-R723 IonicContact OE2-CZ 3.07Å; E438-R723 IonicContact OE2-NH1 2.85Å; E438-R723 IonicContact OE2-NH2 2.84Å; E438-R723 PolarHBondContact OE2-NH2 2.95Å; L719-R723 PolarHBondContact O-N 3.46Å; E720-R723 PolarHBondContact O-N 2.84Å; R723-P728 VanDerWaalsContact O-CD 3.23Å; R723-P728 WeakPolarHBondContact O-CD 3.47Å; R723-P728 WeakPolarHBondContact O-CG 3.24Å
724S86.4Confident88.7Confident68 Ų6872.7 Ų72.748%0.47636%0.357SS..Iπ-helixtrans-84.8-25.2-172.466.70000113.6E720E720-S724 WeakPolarHBondContact O-CB 3.43Å; E720-S724 PolarHBondContact O-N 3.45Å; E720-S724 PolarHBondContact O-OG 3.02Å
725K86.4Confident88.8Confident122 Ų12268.6 Ų68.653%0.5335%0.351SS..Iπ-helixtrans-123.6-51.6-173-65.2177.3178.1175.20113.4I721 K729I721-K725 WeakPolarHBondContact O-CB 3.49Å; I721-K725 PolarHBondContact O-N 3.12Å; K725-K729 VanDerWaalsContact O-CB 3.31Å; K725-K729 WeakPolarHBondContact O-CB 3.3Å; K725-K729 VanDerWaalsContact O-CD 3.27Å; K725-K729 WeakPolarHBondContact O-CD 3.37Å; K725-K729 WeakPolarHBondContact O-CG 3.36Å; K725-K729 PolarHBondContact O-N 3.28Å
726T85.8Confident89Confident46 Ų4673.2 Ų73.228%0.28237%0.367SS..Iπ-helixtrans-76.4-48.1-168.5-48.20000112.7F430 I721 L722 K729 C730F430-T726 HydrophobicContact CD2-CG2 4.18Å; F430-T726 HydrophobicContact CE2-CG2 4.13Å; F430-T726 HydrophobicContact CG-CG2 4.42Å; F430-T726 HydrophobicContact CZ-CG2 4.31Å; I721-T726 PolarHBondContact O-N 3.37Å; L722-T726 PolarHBondContact O-N 3.03Å; T726-K729 PolarHBondContact O-N 3.31Å; T726-C730 PolarHBondContact O-N 3.35Å; T726-C730 VanDerWaalsContact O-N 3.1Å
727I90.9Very high89Confident20 Ų2066.4 Ų66.410%0.10334%0.342CS..Hα-helixtrans-62.3-50178.7-71.5168.6000111.5L427 F430 M431 A434 L722 K729 C730 Q731L427-I727 HydrophobicContact CD1-CG2 3.9Å; F430-I727 HydrophobicContact CB-CG1 4.12Å; M431-I727 HydrophobicContact CG-CD1 4.16Å; A434-I727 HydrophobicContact CB-CD1 4.22Å; L722-I727 WeakPolarHBondContact O-CB 3.41Å; L722-I727 WeakPolarHBondContact O-CG1 3.28Å; L722-I727 PolarHBondContact O-N 3.19Å; I727-K729 VanDerWaalsContact C-N 3.31Å; I727-K729 PolarHBondContact O-N 3.08Å; I727-C730 PolarHBondContact O-N 3Å; I727-Q731 WeakPolarHBondContact O-CG 3.47Å; I727-Q731 PolarHBondContact O-N 3.06Å
728P90.6Very high89.1Confident53 Ų5367.5 Ų67.534%0.34434%0.343SS..Hα-helixtrans-63.4-34.5179.7-23.434.3000113.4R723 Q731 A732R723-P728 VanDerWaalsContact O-CD 3.23Å; R723-P728 WeakPolarHBondContact O-CD 3.47Å; R723-P728 WeakPolarHBondContact O-CG 3.24Å; P728-Q731 PolarHBondContact O-N 3.01Å; P728-A732 WeakPolarHBondContact O-CB 3.48Å; P728-A732 PolarHBondContact O-N 3Å
729K87.4Confident89.1Confident149 Ų14967 Ų6765%0.64835%0.345SS*.Hα-helixtrans-65.9-42.8175.5-77.7175.8-176.8-169.50112.3K725 T726 I727 Q731 A732 E733K725-K729 VanDerWaalsContact O-CB 3.31Å; K725-K729 WeakPolarHBondContact O-CB 3.3Å; K725-K729 VanDerWaalsContact O-CD 3.27Å; K725-K729 WeakPolarHBondContact O-CD 3.37Å; K725-K729 WeakPolarHBondContact O-CG 3.36Å; K725-K729 PolarHBondContact O-N 3.28Å; T726-K729 PolarHBondContact O-N 3.31Å; I727-K729 VanDerWaalsContact C-N 3.31Å; I727-K729 PolarHBondContact O-N 3.08Å; K729-Q731 VanDerWaalsContact C-N 3.35Å; K729-A732 PolarHBondContact O-N 2.98Å; K729-E733 WeakPolarHBondContact O-CB 3.46Å; K729-E733 PolarHBondContact O-N 3.05Å
730C88.2Confident89Confident15 Ų1569.4 Ų69.410%0.10136%0.356CS..Hα-helixtrans-66.6-39.9178.1-1630000110.8L427 T726 I727 E733 I734L427-C730 HydrophobicContact CD1-CB 4.4Å; T726-C730 PolarHBondContact O-N 3.35Å; T726-C730 VanDerWaalsContact O-N 3.1Å; I727-C730 PolarHBondContact O-N 3Å; C730-E733 PolarHBondContact O-N 2.95Å; C730-I734 VanDerWaalsContact O-CG1 3.29Å; C730-I734 WeakPolarHBondContact O-CG1 3.38Å; C730-I734 PolarHBondContact O-N 3.43Å
731Q89.9Confident89Confident90 Ų9064.9 Ų64.942%0.42134%0.336SS..Hα-helixtrans-61.6-45.8172.2-72.6173.8-2700112.6L427 I727 P728 K729 E733 I734 S735L427-Q731 HydrophobicContact CD1-CG 3.8Å; L427-Q731 HydrophobicContact CD2-CG 3.82Å; L427-Q731 HydrophobicContact CG-CG 4.5Å; I727-Q731 WeakPolarHBondContact O-CG 3.47Å; I727-Q731 PolarHBondContact O-N 3.06Å; P728-Q731 PolarHBondContact O-N 3.01Å; K729-Q731 VanDerWaalsContact C-N 3.35Å; Q731-E733 VanDerWaalsContact C-N 3.3Å; Q731-E733 PolarHBondContact O-N 3.31Å; Q731-I734 PolarHBondContact O-N 3.11Å; Q731-S735 PolarHBondContact O-N 2.86Å; Q731-S735 PolarHBondContact O-OG 2.99Å
732A88.6Confident88.9Confident62 Ų6264.6 Ų64.651%0.51234%0.34SS..Hα-helixtrans-62.7-37.4177.700000112.4P728 K729 S735 R736P728-A732 WeakPolarHBondContact O-CB 3.48Å; P728-A732 PolarHBondContact O-N 3Å; K729-A732 PolarHBondContact O-N 2.98Å; A732-S735 PolarHBondContact O-N 3.42Å; A732-R736 PolarHBondContact O-N 2.73Å
733E87.9Confident89Confident70 Ų7068.5 Ų68.533%0.32736%0.361SS..Hα-helixtrans-68.8-39.4176.6-173.663.6-174.400112.2K729 C730 Q731 R736 L737K729-E733 WeakPolarHBondContact O-CB 3.46Å; K729-E733 PolarHBondContact O-N 3.05Å; C730-E733 PolarHBondContact O-N 2.95Å; Q731-E733 VanDerWaalsContact C-N 3.3Å; Q731-E733 PolarHBondContact O-N 3.31Å; E733-R736 PolarHBondContact O-N 3.44Å; E733-R736 IonicContact OE1-CZ 3.25Å; E733-R736 IonicContact OE1-NE 2.85Å; E733-R736 PolarHBondContact OE1-NE 3.16Å; E733-R736 IonicContact OE1-NH2 3.5Å; E733-R736 PolarHBondContact OE1-NH2 3.34Å; E733-R736 IonicContact OE2-CZ 3.91Å; E733-R736 IonicContact OE2-NE 3.96Å; E733-R736 PolarHBondContact OE2-NE 3.34Å; E733-R736 IonicContact OE2-NH2 3.45Å; E733-L737 HydrophobicContact CG-CD1 4.36Å; E733-L737 WeakPolarHBondContact O-CG 3.29Å; E733-L737 PolarHBondContact O-N 3.03Å
734I90.6Very high88.9Confident12 Ų1263.3 Ų63.36%0.06234%0.342CS..Hα-helixtrans-59.2-49.8172-69.2163.1000110I420 N423 Q424 L427 C730 Q731 R736 L737 E738I420-I734 HydrophobicContact CG2-CG2 4.48Å; N423-I734 HydrophobicContact CB-CD1 4.17Å; N423-I734 HydrophobicContact CB-CG1 3.64Å; Q424-I734 HydrophobicContact CG-CD1 4.05Å; L427-I734 HydrophobicContact CB-CD1 4.26Å; L427-I734 HydrophobicContact CD2-CD1 3.9Å; C730-I734 VanDerWaalsContact O-CG1 3.29Å; C730-I734 WeakPolarHBondContact O-CG1 3.38Å; C730-I734 PolarHBondContact O-N 3.43Å; Q731-I734 PolarHBondContact O-N 3.11Å; I734-R736 VanDerWaalsContact C-N 3.3Å; I734-R736 PolarHBondContact O-N 3.03Å; I734-L737 PolarHBondContact O-N 3.41Å; I734-E738 HydrophobicContact CG2-CG 4.26Å; I734-E738 WeakPolarHBondContact CG2-OE1 3.43Å; I734-E738 WeakPolarHBondContact O-CG 3.38Å; I734-E738 PolarHBondContact O-N 2.92Å
735S89.3Confident88.9Confident70 Ų7063.1 Ų63.149%0.4933%0.334SS..Hα-helixtrans-62.4-35179.2-59.10000113.2Q731 A732 S739Q731-S735 PolarHBondContact O-N 2.86Å; Q731-S735 PolarHBondContact O-OG 2.99Å; A732-S735 PolarHBondContact O-N 3.42Å; S735-S739 PolarHBondContact O-N 3.22Å; S735-S739 VanDerWaalsContact O-N 3.11Å
736R92Very high89Confident112 Ų11260.7 Ų60.742%0.42333%0.331SS..Hα-helixtrans-63.2-48.7173.7-173.5-175.773.183.31.6111A732 E733 I734 S739 E740A732-R736 PolarHBondContact O-N 2.73Å; E733-R736 PolarHBondContact O-N 3.44Å; E733-R736 IonicContact OE1-CZ 3.25Å; E733-R736 IonicContact OE1-NE 2.85Å; E733-R736 PolarHBondContact OE1-NE 3.16Å; E733-R736 IonicContact OE1-NH2 3.5Å; E733-R736 PolarHBondContact OE1-NH2 3.34Å; E733-R736 IonicContact OE2-CZ 3.91Å; E733-R736 IonicContact OE2-NE 3.96Å; E733-R736 PolarHBondContact OE2-NE 3.34Å; E733-R736 IonicContact OE2-NH2 3.45Å; I734-R736 VanDerWaalsContact C-N 3.3Å; I734-R736 PolarHBondContact O-N 3.03Å; R736-S739 PolarHBondContact O-N 3.36Å; R736-E740 IonicContact CZ-OE1 2.72Å; R736-E740 VanDerWaalsContact NH1-CD 3.34Å; R736-E740 IonicContact NH1-OE1 3.22Å; R736-E740 PolarHBondContact NH1-OE1 2.97Å; R736-E740 IonicContact NH1-OE2 2.78Å; R736-E740 PolarHBondContact NH1-OE2 2.92Å; R736-E740 PolarHBondContact O-N 3.34Å
737L89.4Confident88.9Confident14 Ų1463.2 Ų63.27%0.07334%0.34CS..Hα-helixtrans-66.2-36.2179.6-68.8171.3000112.3I416 A419 I420 N423 E733 I734 E740 L741I416-L737 HydrophobicContact CG2-CB 4.42Å; A419-L737 HydrophobicContact CB-CD1 4.34Å; I420-L737 HydrophobicContact CD1-CB 4.08Å; I420-L737 HydrophobicContact CG1-CB 3.59Å; I420-L737 HydrophobicContact CG1-CD1 4.33Å; N423-L737 WeakPolarHBondContact ND2-CD1 3.48Å; E733-L737 HydrophobicContact CG-CD1 4.36Å; E733-L737 WeakPolarHBondContact O-CG 3.29Å; E733-L737 PolarHBondContact O-N 3.03Å; I734-L737 PolarHBondContact O-N 3.41Å; L737-E740 PolarHBondContact O-N 3.21Å; L737-L741 WeakPolarHBondContact O-CB 3.26Å; L737-L741 PolarHBondContact O-N 2.94Å
738E90.9Very high88.7Confident86 Ų8662.8 Ų62.840%0.40234%0.338SS..Hα-helixtrans-63.7-39.3173.9-74.6171.7166.400111.8I420 I734 L741 S742I420-E738 HydrophobicContact CD1-CG 4.03Å; I420-E738 HydrophobicContact CG2-CG 4.49Å; I734-E738 HydrophobicContact CG2-CG 4.26Å; I734-E738 WeakPolarHBondContact CG2-OE1 3.43Å; I734-E738 WeakPolarHBondContact O-CG 3.38Å; I734-E738 PolarHBondContact O-N 2.92Å; E738-L741 PolarHBondContact O-N 2.94Å; E738-S742 PolarHBondContact O-N 3.34Å
739S88.3Confident88.6Confident68 Ų6866.1 Ų66.148%0.47635%0.349SS..Hα-helixtrans-66.6-39173.4-176.20000112.3S735 R736 S742 N743S735-S739 PolarHBondContact O-N 3.22Å; S735-S739 VanDerWaalsContact O-N 3.11Å; R736-S739 PolarHBondContact O-N 3.36Å; S739-S742 PolarHBondContact O-N 3.48Å; S739-N743 PolarHBondContact O-N 2.95Å; S739-N743 VanDerWaalsContact O-N 3.14Å; S739-N743 PolarHBondContact O-ND2 3.09Å
740E88.1Confident88.5Confident73 Ų7364.5 Ų64.534%0.34135%0.345SS..Hα-helixtrans-66.4-38.1175.4-75.7174.3-16700111.9R736 L737 N743 L744R736-E740 IonicContact CZ-OE1 2.72Å; R736-E740 VanDerWaalsContact NH1-CD 3.34Å; R736-E740 IonicContact NH1-OE1 3.22Å; R736-E740 PolarHBondContact NH1-OE1 2.97Å; R736-E740 IonicContact NH1-OE2 2.78Å; R736-E740 PolarHBondContact NH1-OE2 2.92Å; R736-E740 PolarHBondContact O-N 3.34Å; L737-E740 PolarHBondContact O-N 3.21Å; E740-N743 PolarHBondContact O-N 3.06Å; E740-L744 WeakPolarHBondContact O-CB 3.3Å; E740-L744 PolarHBondContact O-N 2.76Å
741L90.8Very high88.3Confident26 Ų2666.3 Ų66.314%0.13635%0.352CS..Hα-helixtrans-60.5-48.9174.5-173.671.5000110.9K413 I416 E417 I420 L737 E738 N743 L744 E745K413-L741 HydrophobicContact CG-CD1 3.63Å; I416-L741 HydrophobicContact CB-CD1 4.34Å; I416-L741 HydrophobicContact CG2-CB 4.1Å; I416-L741 HydrophobicContact CG2-CD1 4.13Å; E417-L741 HydrophobicContact CG-CD1 3.8Å; E417-L741 HydrophobicContact CG-CD2 4.1Å; I420-L741 HydrophobicContact CD1-CB 4.29Å; I420-L741 HydrophobicContact CD1-CD2 4.03Å; L737-L741 WeakPolarHBondContact O-CB 3.26Å; L737-L741 PolarHBondContact O-N 2.94Å; E738-L741 PolarHBondContact O-N 2.94Å; L741-N743 VanDerWaalsContact C-N 3.34Å; L741-N743 PolarHBondContact O-N 3.26Å; L741-L744 PolarHBondContact O-N 3.47Å; L741-E745 VanDerWaalsContact O-CG 3.31Å; L741-E745 WeakPolarHBondContact O-CG 3.34Å; L741-E745 PolarHBondContact O-N 3.08Å
742S89.1Confident88.1Confident69 Ų6965.4 Ų65.448%0.48335%0.348SS..Hα-helixtrans-61.7-40.1179.5-1800000112.7E738 S739 E745 C746E738-S742 PolarHBondContact O-N 3.34Å; S739-S742 PolarHBondContact O-N 3.48Å; S742-E745 PolarHBondContact O-N 3.48Å; S742-C746 PolarHBondContact O-N 2.92Å; S742-C746 VanDerWaalsContact O-N 3.16Å
743N88.6Confident88Confident96 Ų9669 Ų6951%0.51335%0.354SS..Hα-helixtrans-64-41.2175.4-71.6-21.8000111.8S739 E740 L741 Q747S739-N743 PolarHBondContact O-N 2.95Å; S739-N743 VanDerWaalsContact O-N 3.14Å; S739-N743 PolarHBondContact O-ND2 3.09Å; E740-N743 PolarHBondContact O-N 3.06Å; L741-N743 VanDerWaalsContact C-N 3.34Å; L741-N743 PolarHBondContact O-N 3.26Å; N743-Q747 WeakPolarHBondContact O-CG 3.38Å; N743-Q747 PolarHBondContact O-N 2.74Å; N743-Q747 VanDerWaalsContact O-N 3.16Å
744L87.3Confident87.8Confident9 Ų970.6 Ų70.65%0.04737%0.365CS..Hα-helixtrans-70.7-35.5179.5-160.175.9000111.8R412 K413 I416 E740 L741 Q747 I748R412-L744 HydrophobicContact CB-CD2 4.07Å; R412-L744 HydrophobicContact CG-CD2 4.01Å; K413-L744 HydrophobicContact CB-CD2 3.99Å; I416-L744 HydrophobicContact CD1-CD2 4.18Å; E740-L744 WeakPolarHBondContact O-CB 3.3Å; E740-L744 PolarHBondContact O-N 2.76Å; L741-L744 PolarHBondContact O-N 3.47Å; L744-Q747 PolarHBondContact O-N 2.61Å; L744-I748 HydrophobicContact CG-CD1 4.38Å; L744-I748 VanDerWaalsContact O-CG1 3.28Å; L744-I748 WeakPolarHBondContact O-CG1 3.48Å; L744-I748 PolarHBondContact O-N 3.3Å
745E87.8Confident87.6Confident64 Ų6472.1 Ų72.130%0.29937%0.372SS..Hα-helixtrans-60.7-46.8173.8-75.3179.6147.100111.9K413 L741 S742 Q747 I748 E749K413-E745 HydrophobicContact CD-CG 4.07Å; K413-E745 WeakPolarHBondContact CE-OE1 3.35Å; K413-E745 IonicContact NZ-OE1 3.87Å; K413-E745 PolarHBondContact NZ-OE1 3.17Å; L741-E745 VanDerWaalsContact O-CG 3.31Å; L741-E745 WeakPolarHBondContact O-CG 3.34Å; L741-E745 PolarHBondContact O-N 3.08Å; S742-E745 PolarHBondContact O-N 3.48Å; E745-Q747 VanDerWaalsContact C-N 3.32Å; E745-Q747 PolarHBondContact O-N 3.11Å; E745-I748 PolarHBondContact O-N 2.99Å; E745-E749 PolarHBondContact O-N 3.49Å
746C86.8Confident87.4Confident70 Ų7075.3 Ų75.347%0.47338%0.38SS..Hα-helixtrans-61.9-39.7176.1-175.50000112.1S742 E749 M750S742-C746 PolarHBondContact O-N 2.92Å; S742-C746 VanDerWaalsContact O-N 3.16Å; C746-E749 PolarHBondContact O-N 3.31Å; C746-M750 WeakPolarHBondContact O-CG 3.39Å; C746-M750 PolarHBondContact O-N 3.3Å; C746-M750 VanDerWaalsContact O-N 3.12Å
747Q85.1Confident87.1Confident100 Ų10073 Ų7347%0.46739%0.385SS..Hα-helixtrans-64.3-41.1175.7-73.51751.400112.6N743 L744 E745 Q751N743-Q747 WeakPolarHBondContact O-CG 3.38Å; N743-Q747 PolarHBondContact O-N 2.74Å; N743-Q747 VanDerWaalsContact O-N 3.16Å; L744-Q747 PolarHBondContact O-N 2.61Å; E745-Q747 VanDerWaalsContact C-N 3.32Å; E745-Q747 PolarHBondContact O-N 3.11Å; Q747-Q751 WeakPolarHBondContact O-CB 3.45Å; Q747-Q751 VanDerWaalsContact O-CG 3.22Å; Q747-Q751 WeakPolarHBondContact O-CG 3.32Å; Q747-Q751 PolarHBondContact O-N 3.46Å
748I87.1Confident86.8Confident11 Ų1175.3 Ų75.36%0.05639%0.394CS..Hα-helixtrans-64.7-42.2177.4-70.2164.6000110.7V406 D409 Q410 K413 L744 E745 Q751 Q752V406-I748 HydrophobicContact CG1-CG2 4.44Å; D409-I748 HydrophobicContact CB-CD1 4.15Å; D409-I748 HydrophobicContact CB-CG1 3.8Å; Q410-I748 HydrophobicContact CG-CD1 4.23Å; Q410-I748 HydrophobicContact CG-CG2 4.27Å; K413-I748 HydrophobicContact CB-CD1 4.14Å; K413-I748 HydrophobicContact CD-CD1 4.21Å; L744-I748 HydrophobicContact CG-CD1 4.38Å; L744-I748 VanDerWaalsContact O-CG1 3.28Å; L744-I748 WeakPolarHBondContact O-CG1 3.48Å; L744-I748 PolarHBondContact O-N 3.3Å; E745-I748 PolarHBondContact O-N 2.99Å; I748-Q751 PolarHBondContact O-N 2.95Å; I748-Q752 HydrophobicContact CG2-CG 4.3Å; I748-Q752 WeakPolarHBondContact O-CB 3.34Å; I748-Q752 VanDerWaalsContact O-CG 3.24Å; I748-Q752 WeakPolarHBondContact O-CG 3.21Å; I748-Q752 PolarHBondContact O-N 3.47Å
749E87Confident86.4Confident122 Ų12273.4 Ų73.457%0.5739%0.387SS*.Hα-helixtrans-61-48177.7-75.4177.6177.200111.5E745 C746 Q751 Q752 E753E745-E749 PolarHBondContact O-N 3.49Å; C746-E749 PolarHBondContact O-N 3.31Å; E749-Q751 PolarHBondContact O-N 3.35Å; E749-Q752 PolarHBondContact O-N 2.95Å; E749-E753 PolarHBondContact O-N 3.36Å
750M84.8Confident86.2Confident116 Ų11672.2 Ų72.257%0.57138%0.381SS*.Hα-helixtrans-59.7-44.2176.7-68.6-179.267.200112.4C746 Q752 E753 D754C746-M750 WeakPolarHBondContact O-CG 3.39Å; C746-M750 PolarHBondContact O-N 3.3Å; C746-M750 VanDerWaalsContact O-N 3.12Å; M750-Q752 VanDerWaalsContact C-N 3.31Å; M750-Q752 PolarHBondContact O-N 2.86Å; M750-E753 PolarHBondContact O-N 3.43Å; M750-D754 PolarHBondContact O-N 2.95Å; M750-D754 VanDerWaalsContact O-N 3.11Å
751Q85.3Confident85.9Confident53 Ų5373.8 Ų73.825%0.24839%0.388CS..Hα-helixtrans-66.2-32.3178.1-71172.6100112.6V406 D409 Q747 I748 E749 L755V406-Q751 HydrophobicContact CG2-CB 3.64Å; D409-Q751 PolarHBondContact OD2-NE2 2.99Å; D409-Q751 PolarHBondContact OD2-OE1 3.32Å; Q747-Q751 WeakPolarHBondContact O-CB 3.45Å; Q747-Q751 VanDerWaalsContact O-CG 3.22Å; Q747-Q751 WeakPolarHBondContact O-CG 3.32Å; Q747-Q751 PolarHBondContact O-N 3.46Å; I748-Q751 PolarHBondContact O-N 2.95Å; E749-Q751 PolarHBondContact O-N 3.35Å; Q751-L755 VanDerWaalsContact O-CB 3.32Å; Q751-L755 WeakPolarHBondContact O-CB 3.32Å; Q751-L755 PolarHBondContact O-N 3.34Å
752Q86Confident85.4Confident71 Ų7172.6 Ų72.633%0.33238%0.382SS..Hα-helixtrans-69.1-43.8176.3-78.2175.4-1100111.6V406 Q410 I748 E749 M750 D754 L755 E756V406-Q752 HydrophobicContact CG1-CG 4.01Å; Q410-Q752 VanDerWaalsContact NE2-NE2 3.11Å; I748-Q752 HydrophobicContact CG2-CG 4.3Å; I748-Q752 WeakPolarHBondContact O-CB 3.34Å; I748-Q752 VanDerWaalsContact O-CG 3.24Å; I748-Q752 WeakPolarHBondContact O-CG 3.21Å; I748-Q752 PolarHBondContact O-N 3.47Å; E749-Q752 PolarHBondContact O-N 2.95Å; M750-Q752 VanDerWaalsContact C-N 3.31Å; M750-Q752 PolarHBondContact O-N 2.86Å; Q752-D754 VanDerWaalsContact C-N 3.35Å; Q752-D754 PolarHBondContact O-N 2.86Å; Q752-L755 PolarHBondContact O-N 2.93Å; Q752-E756 WeakPolarHBondContact O-CG 3.24Å; Q752-E756 PolarHBondContact O-N 2.87Å
753E85.6Confident85Confident137 Ų13774.5 Ų74.564%0.6438%0.382SS*.Hα-helixtrans-60.5-43.7175.1-69.4-178.617000111.6E749 M750 L755 E756 A757E749-E753 PolarHBondContact O-N 3.36Å; M750-E753 PolarHBondContact O-N 3.43Å; E753-L755 VanDerWaalsContact C-N 3.34Å; E753-L755 PolarHBondContact O-N 3.37Å; E753-E756 PolarHBondContact O-N 3.41Å; E753-A757 PolarHBondContact O-N 3.42Å
754D83.3Confident84.8Confident104 Ų10477.9 Ų77.956%0.55639%0.387SS*.Hα-helixtrans-62.5-39.6175.5-79.2-17.9000112.2M750 Q752 A757 K758M750-D754 PolarHBondContact O-N 2.95Å; M750-D754 VanDerWaalsContact O-N 3.11Å; Q752-D754 VanDerWaalsContact C-N 3.35Å; Q752-D754 PolarHBondContact O-N 2.86Å; D754-A757 PolarHBondContact O-N 3.21Å; D754-K758 WeakPolarHBondContact O-CG 3.24Å; D754-K758 PolarHBondContact O-N 3.28Å; D754-K758 VanDerWaalsContact O-N 3.1Å
755L86.9Confident84.4Confident43 Ų4378.4 Ų78.423%0.22539%0.39CS..Hα-helixtrans-68.1-40.4178.1-171.9127.2000111.8V399 D402 G403 Q751 Q752 E753 K758 D759V399-L755 HydrophobicContact CG1-CD1 4.41Å; V399-L755 HydrophobicContact CG1-CG 4.35Å; V399-L755 WeakPolarHBondContact O-CD1 3.49Å; D402-L755 HydrophobicContact CB-CD1 4.07Å; G403-L755 VanDerWaalsContact CA-CD1 3.44Å; Q751-L755 VanDerWaalsContact O-CB 3.32Å; Q751-L755 WeakPolarHBondContact O-CB 3.32Å; Q751-L755 PolarHBondContact O-N 3.34Å; Q752-L755 PolarHBondContact O-N 2.93Å; E753-L755 VanDerWaalsContact C-N 3.34Å; E753-L755 PolarHBondContact O-N 3.37Å; L755-K758 PolarHBondContact O-N 2.59Å; L755-D759 WeakPolarHBondContact O-CB 3.19Å; L755-D759 PolarHBondContact O-N 2.96Å
756E85.1Confident84Confident138 Ų13880.5 Ų80.565%0.64540%0.395SS*.Hα-helixtrans-63.3-40.7175-74.8-177.1-178.400111.9Q752 E753 D759 A760Q752-E756 WeakPolarHBondContact O-CG 3.24Å; Q752-E756 PolarHBondContact O-N 2.87Å; E753-E756 PolarHBondContact O-N 3.41Å; E756-D759 PolarHBondContact O-N 2.92Å; E756-A760 WeakPolarHBondContact O-CB 3.45Å; E756-A760 PolarHBondContact O-N 2.95Å
757A85Confident83.6Confident64 Ų6482.6 Ų82.653%0.52940%0.398SS..Hα-helixtrans-62-47.1175.900000112E753 D754 A760 E761E753-A757 PolarHBondContact O-N 3.42Å; D754-A757 PolarHBondContact O-N 3.21Å; A757-A760 PolarHBondContact O-N 3.26Å; A757-E761 PolarHBondContact O-N 3.12Å; A757-E761 VanDerWaalsContact O-N 3.15Å
758K83.6Confident83.2Confident62 Ų6282.3 Ų82.327%0.2740%0.396SS..Hα-helixtrans-67.4-37.4177.4-70.1-175.8-174.3178.40112.8V399 D402 D754 L755 E761 M762V399-K758 HydrophobicContact CG2-CB 3.63Å; D402-K758 IonicContact OD2-NZ 2.79Å; D402-K758 PolarHBondContact OD2-NZ 3.5Å; D754-K758 WeakPolarHBondContact O-CG 3.24Å; D754-K758 PolarHBondContact O-N 3.28Å; D754-K758 VanDerWaalsContact O-N 3.1Å; L755-K758 PolarHBondContact O-N 2.59Å; K758-E761 PolarHBondContact O-N 2.95Å; K758-M762 PolarHBondContact O-N 3.14Å
759D83.4Confident82.7Confident46 Ų4682.5 Ų82.525%0.24640%0.398CS..Hα-helixtrans-68.4-35.2177-167.746.6000111.7L755 E756 M762 K763L755-D759 WeakPolarHBondContact O-CB 3.19Å; L755-D759 PolarHBondContact O-N 2.96Å; E756-D759 PolarHBondContact O-N 2.92Å; D759-M762 PolarHBondContact O-N 3.43Å; D759-K763 WeakPolarHBondContact O-CG 3.34Å; D759-K763 PolarHBondContact O-N 3.27Å; D759-K763 VanDerWaalsContact OD2-CE 3.28Å; D759-K763 WeakPolarHBondContact OD2-CE 3.18Å; D759-K763 IonicContact OD2-NZ 3.88Å; D759-K763 PolarHBondContact OD2-NZ 3.16Å
760A83.1Confident82.1Confident43 Ų4379.2 Ų79.236%0.35538%0.384SS..Hα-helixtrans-64.6-39.5172.200000112.3E756 A757 K763 R764E756-A760 WeakPolarHBondContact O-CB 3.45Å; E756-A760 PolarHBondContact O-N 2.95Å; A757-A760 PolarHBondContact O-N 3.26Å; A760-K763 PolarHBondContact O-N 3.17Å; A760-R764 WeakPolarHBondContact O-CG 3.44Å; A760-R764 PolarHBondContact O-N 3.39Å
761E81.7Confident81.6Confident105 Ų10579.7 Ų79.749%0.49139%0.385SS..Hα-helixtrans-67.8-40174.9-169.2167.5-156.600111.9L395 A757 K758 K763 R764 I765L395-E761 HydrophobicContact CD2-CB 3.89Å; L395-E761 HydrophobicContact CD2-CG 3.95Å; A757-E761 PolarHBondContact O-N 3.12Å; A757-E761 VanDerWaalsContact O-N 3.15Å; K758-E761 PolarHBondContact O-N 2.95Å; E761-K763 VanDerWaalsContact C-N 3.34Å; E761-K763 PolarHBondContact O-N 3.35Å; E761-R764 PolarHBondContact O-N 3.48Å; E761-I765 WeakPolarHBondContact O-CG1 3.19Å; E761-I765 PolarHBondContact O-N 2.95Å; E761-I765 VanDerWaalsContact O-N 3.12Å
762M81.7Confident81Confident2 Ų279 Ų791%0.0138%0.382CS..Hα-helixtrans-59.8-43.1173.2-167-161.1-46.300111.9L395 H396 V399 K758 D759 I765 R766L395-M762 HydrophobicContact CB-CG 4.49Å; L395-M762 HydrophobicContact CD2-CB 4.08Å; H396-M762 HydrophobicContact CB-CE 4.31Å; H396-M762 HydrophobicContact CB-SD 4.17Å; V399-M762 HydrophobicContact CB-CE 3.55Å; V399-M762 HydrophobicContact CG1-CE 3.81Å; V399-M762 HydrophobicContact CG2-CE 3.49Å; V399-M762 VanDerWaalsContact CG2-CE 3.49Å; K758-M762 PolarHBondContact O-N 3.14Å; D759-M762 PolarHBondContact O-N 3.43Å; M762-I765 PolarHBondContact O-N 3.21Å; M762-R766 WeakPolarHBondContact O-CB 2.98Å; M762-R766 WeakPolarHBondContact O-CG 3.42Å; M762-R766 PolarHBondContact O-N 3.06Å; M762-R766 PolarHBondContact SD-NH2 2.75Å; M762-R766 VanDerWaalsContact SD-NH2 3.38Å
763K80.5Confident80.1Confident108 Ų10877.7 Ų77.747%0.4738%0.377SS..Hα-helixtrans-62.1-41.9177.2-76.4170.4-170.81500112D759 A760 E761 I765 R766 E767D759-K763 WeakPolarHBondContact O-CG 3.34Å; D759-K763 PolarHBondContact O-N 3.27Å; D759-K763 VanDerWaalsContact OD2-CE 3.28Å; D759-K763 WeakPolarHBondContact OD2-CE 3.18Å; D759-K763 IonicContact OD2-NZ 3.88Å; D759-K763 PolarHBondContact OD2-NZ 3.16Å; A760-K763 PolarHBondContact O-N 3.17Å; E761-K763 VanDerWaalsContact C-N 3.34Å; E761-K763 PolarHBondContact O-N 3.35Å; K763-I765 PolarHBondContact O-N 2.95Å; K763-R766 PolarHBondContact O-N 3.33Å; K763-E767 WeakPolarHBondContact O-CG 3.39Å; K763-E767 PolarHBondContact O-N 2.95Å
764R83.2Confident79.4Confident168 Ų16874 Ų7463%0.63436%0.362SS*.Hα-helixtrans-61.4-43.5175.8-70174.4-174.4169.33.9112.5A760 E761 E767 Q768A760-R764 WeakPolarHBondContact O-CG 3.44Å; A760-R764 PolarHBondContact O-N 3.39Å; E761-R764 PolarHBondContact O-N 3.48Å; R764-E767 PolarHBondContact O-N 3.43Å; R764-Q768 WeakPolarHBondContact O-CG 3.48Å; R764-Q768 PolarHBondContact O-N 2.86Å
765I79.5Confident78.8Confident19 Ų1974 Ų7410%0.09737%0.366CS..Hα-helixtrans-67.1-39.5178-63.7173.2000110.3L388 Q391 A392 L395 E761 M762 K763 Q768 I769L388-I765 HydrophobicContact CB-CG2 4.26Å; L388-I765 HydrophobicContact CD2-CG2 4.27Å; Q391-I765 HydrophobicContact CB-CD1 4.48Å; A392-I765 HydrophobicContact CB-CG2 3.97Å; L395-I765 HydrophobicContact CD2-CD1 4.5Å; E761-I765 WeakPolarHBondContact O-CG1 3.19Å; E761-I765 PolarHBondContact O-N 2.95Å; E761-I765 VanDerWaalsContact O-N 3.12Å; M762-I765 PolarHBondContact O-N 3.21Å; K763-I765 PolarHBondContact O-N 2.95Å; I765-Q768 WeakPolarHBondContact O-CB 3.39Å; I765-Q768 PolarHBondContact O-N 3.16Å; I765-I769 HydrophobicContact CG2-CD1 4.25Å; I765-I769 WeakPolarHBondContact O-CG1 3.45Å; I765-I769 PolarHBondContact O-N 3.09Å
766R78.8Confident78.1Confident109 Ų10972.8 Ų72.841%0.41136%0.361SS..Hα-helixtrans-64.3-41.1174.8-75.6178.3177.2-179.1-0.1112.7M762 K763 Q768 I769 D770M762-R766 WeakPolarHBondContact O-CB 2.98Å; M762-R766 WeakPolarHBondContact O-CG 3.42Å; M762-R766 PolarHBondContact O-N 3.06Å; M762-R766 PolarHBondContact SD-NH2 2.75Å; M762-R766 VanDerWaalsContact SD-NH2 3.38Å; K763-R766 PolarHBondContact O-N 3.33Å; R766-Q768 PolarHBondContact O-N 3.13Å; R766-I769 WeakPolarHBondContact O-CB 3.26Å; R766-I769 PolarHBondContact O-N 3.4Å; R766-I769 VanDerWaalsContact O-N 3.15Å; R766-D770 VanDerWaalsContact O-CB 3.26Å; R766-D770 WeakPolarHBondContact O-CB 3.39Å; R766-D770 PolarHBondContact O-N 3.14Å
767E79.3Confident77.2Confident113 Ų11366.6 Ų66.653%0.52833%0.331SS..Hα-helixtrans-60.4-32.8173.5-75.7169.4-172.600112.3K763 R764 D770 Q771K763-E767 WeakPolarHBondContact O-CG 3.39Å; K763-E767 PolarHBondContact O-N 2.95Å; R764-E767 PolarHBondContact O-N 3.43Å; E767-D770 WeakPolarHBondContact O-CB 3.47Å; E767-Q771 VanDerWaalsContact O-CG 3.26Å; E767-Q771 WeakPolarHBondContact O-CG 3.39Å; E767-Q771 PolarHBondContact O-N 3.48Å
768Q77.1Confident76.3Confident94 Ų9466 Ų6644%0.43933%0.327SS..Hα-helixtrans-72.4-38.8174.1-69.3172.7-12.500112.5L388 R764 I765 R766 D770 Q771 I772L388-Q768 HydrophobicContact CD1-CB 4.26Å; R764-Q768 WeakPolarHBondContact O-CG 3.48Å; R764-Q768 PolarHBondContact O-N 2.86Å; I765-Q768 WeakPolarHBondContact O-CB 3.39Å; I765-Q768 PolarHBondContact O-N 3.16Å; R766-Q768 PolarHBondContact O-N 3.13Å; Q768-D770 VanDerWaalsContact C-N 3.34Å; Q768-Q771 PolarHBondContact O-N 3.03Å; Q768-I772 WeakPolarHBondContact O-CG1 3.5Å; Q768-I772 PolarHBondContact O-N 3.39Å
769I74.9Confident75.3Confident16 Ų1669.6 Ų69.68%0.08235%0.349CS..Hα-helixtrans-63-45.3172.8-65.5163.6000109.8L388 A392 I765 R766 Q771 I772 D773L388-I769 HydrophobicContact CB-CD1 4.06Å; L388-I769 HydrophobicContact CB-CG1 3.65Å; L388-I769 HydrophobicContact CD1-CG1 4.47Å; A392-I769 HydrophobicContact CB-CD1 4Å; I765-I769 HydrophobicContact CG2-CD1 4.25Å; I765-I769 WeakPolarHBondContact O-CG1 3.45Å; I765-I769 PolarHBondContact O-N 3.09Å; R766-I769 WeakPolarHBondContact O-CB 3.26Å; R766-I769 PolarHBondContact O-N 3.4Å; R766-I769 VanDerWaalsContact O-N 3.15Å; I769-Q771 VanDerWaalsContact C-N 3.34Å; I769-Q771 PolarHBondContact O-N 3.4Å; I769-I772 WeakPolarHBondContact O-CA 3.42Å; I769-I772 WeakPolarHBondContact O-CB 3.41Å; I769-I772 PolarHBondContact O-N 2.89Å; I769-D773 PolarHBondContact O-N 3.44Å
770D74.4Confident74.4Confident53 Ų5367.7 Ų67.728%0.28334%0.338SS..Hα-helixtrans-57.9-42177.1-88.63.3000112.2R766 E767 Q768 I772 D773 D774 R790R766-D770 VanDerWaalsContact O-CB 3.26Å; R766-D770 WeakPolarHBondContact O-CB 3.39Å; R766-D770 PolarHBondContact O-N 3.14Å; E767-D770 WeakPolarHBondContact O-CB 3.47Å; Q768-D770 VanDerWaalsContact C-N 3.34Å; D770-I772 VanDerWaalsContact C-N 3.34Å; D770-D773 PolarHBondContact O-N 3.42Å; D770-D774 WeakPolarHBondContact O-CB 3.36Å; D770-D774 PolarHBondContact O-N 3.49Å; D770-R790 VanDerWaalsContact CG-NH1 3.28Å; D770-R790 PolarHBondContact O-NH2 3.27Å; D770-R790 IonicContact OD1-CZ 2.68Å; D770-R790 IonicContact OD1-NE 3.04Å; D770-R790 IonicContact OD2-CZ 3.92Å; D770-R790 VanDerWaalsContact OD2-CZ 3.26Å; D770-R790 IonicContact OD2-NE 2.87Å; D770-R790 IonicContact OD2-NH1 2.79Å; D770-R790 PolarHBondContact OD2-NH1 2.96Å; D770-R790 IonicContact OD2-NH2 3.87Å
771Q75.3Confident73.3Confident126 Ų12666.2 Ų66.259%0.58933%0.326SS*.Hα-helixtrans-64.4-37.2173.9-74.916825.400112.5E767 Q768 I769 T775E767-Q771 VanDerWaalsContact O-CG 3.26Å; E767-Q771 WeakPolarHBondContact O-CG 3.39Å; E767-Q771 PolarHBondContact O-N 3.48Å; Q768-Q771 PolarHBondContact O-N 3.03Å; I769-Q771 VanDerWaalsContact C-N 3.34Å; I769-Q771 PolarHBondContact O-N 3.4Å; Q771-T775 WeakPolarHBondContact O-CG2 3.42Å; Q771-T775 PolarHBondContact O-N 2.9Å; Q771-T775 VanDerWaalsContact O-N 3.16Å; Q771-T775 PolarHBondContact O-OG1 3.27Å
772I72.5Confident72.4Confident39 Ų3965.3 Ų65.320%0.234%0.336CS..Hα-helixtrans-67.3-45.9175.9-66.9164.4000109.8Q384 L388 Q768 I769 D770 D774 T775 V776Q384-I772 HydrophobicContact CB-CG2 3.98Å; L388-I772 HydrophobicContact CD1-CD1 3.59Å; Q768-I772 WeakPolarHBondContact O-CG1 3.5Å; Q768-I772 PolarHBondContact O-N 3.39Å; I769-I772 WeakPolarHBondContact O-CA 3.42Å; I769-I772 WeakPolarHBondContact O-CB 3.41Å; I769-I772 PolarHBondContact O-N 2.89Å; D770-I772 VanDerWaalsContact C-N 3.34Å; I772-D774 PolarHBondContact O-N 2.93Å; I772-T775 PolarHBondContact O-N 3.31Å; I772-T775 PolarHBondContact O-OG1 2.96Å; I772-V776 HydrophobicContact CG2-CG2 4.45Å; I772-V776 WeakPolarHBondContact O-CG2 3.38Å; I772-V776 PolarHBondContact O-N 3.07Å
773D67.9Low71.4Confident42 Ų4272 Ų7223%0.22537%0.365CS..Hα-helixtrans-60.9-44.4177.5-75.2-3.6000111.3A381 I769 D770 T775 V776 F777A381-D773 WeakPolarHBondContact CB-OD1 3.47Å; I769-D773 PolarHBondContact O-N 3.44Å; D770-D773 PolarHBondContact O-N 3.42Å; D773-T775 VanDerWaalsContact C-N 3.28Å; D773-T775 PolarHBondContact O-N 3.47Å; D773-V776 PolarHBondContact O-N 3Å; D773-F777 HydrophobicContact CB-CD2 4.49Å; D773-F777 WeakPolarHBondContact O-CB 3.29Å; D773-F777 VanDerWaalsContact O-CD2 3.29Å; D773-F777 WeakPolarHBondContact O-CD2 3.43Å; D773-F777 PolarHBondContact O-N 3.48Å
774D70Confident70.3Confident59 Ų5968.3 Ų68.332%0.31635%0.35SS..Hα-helixtrans-61.5-36.3177.5-65.9-16.6000111.9D770 I772 A778 T788 R790D770-D774 WeakPolarHBondContact O-CB 3.36Å; D770-D774 PolarHBondContact O-N 3.49Å; I772-D774 PolarHBondContact O-N 2.93Å; D774-A778 WeakPolarHBondContact O-CB 3.24Å; D774-A778 PolarHBondContact O-N 3.27Å; D774-A778 VanDerWaalsContact O-N 3.16Å; D774-T788 VanDerWaalsContact OD1-CG2 3.27Å; D774-T788 WeakPolarHBondContact OD1-CG2 3.48Å; D774-R790 IonicContact OD1-CZ 3.53Å; D774-R790 IonicContact OD1-NE 3.22Å; D774-R790 IonicContact OD1-NH2 2.71Å; D774-R790 PolarHBondContact OD1-NH2 3.41Å; D774-R790 IonicContact OD2-CZ 3.38Å; D774-R790 IonicContact OD2-NH2 3.85Å; D774-R790 PolarHBondContact OD2-NH2 3.07Å
775T71.8Confident69Low105 Ų10563.8 Ų63.864%0.64436%0.356SS*.Hα-helixtrans-70.8-36.1175.1570000113.7Q771 I772 D773Q771-T775 WeakPolarHBondContact O-CG2 3.42Å; Q771-T775 PolarHBondContact O-N 2.9Å; Q771-T775 VanDerWaalsContact O-N 3.16Å; Q771-T775 PolarHBondContact O-OG1 3.27Å; I772-T775 PolarHBondContact O-N 3.31Å; I772-T775 PolarHBondContact O-OG1 2.96Å; D773-T775 VanDerWaalsContact C-N 3.28Å; D773-T775 PolarHBondContact O-N 3.47Å
776V70.5Confident68Low18 Ų1863.9 Ų63.911%0.10936%0.357CS..Hα-helixtrans-76-33.6-179.3174.50000111.4L377 L380 A381 Q384 I772 D773L377-V776 HydrophobicContact CB-CG1 4.46Å; L377-V776 HydrophobicContact CD2-CG1 4.25Å; L377-V776 WeakPolarHBondContact O-CG1 3.33Å; L380-V776 HydrophobicContact CB-CG1 4.42Å; L380-V776 HydrophobicContact CD2-CG1 3.75Å; L380-V776 HydrophobicContact CD2-CG2 4.1Å; A381-V776 HydrophobicContact CB-CB 4.24Å; A381-V776 HydrophobicContact CB-CG1 3.96Å; A381-V776 HydrophobicContact CB-CG2 4.48Å; Q384-V776 VanDerWaalsContact OE1-CG2 3.26Å; I772-V776 HydrophobicContact CG2-CG2 4.45Å; I772-V776 WeakPolarHBondContact O-CG2 3.38Å; I772-V776 PolarHBondContact O-N 3.07Å; D773-V776 PolarHBondContact O-N 3Å
777F67.1Low66.9Low7 Ų767 Ų673%0.03138%0.376CS..Hα-helixtrans-95.7-2.4-177.4-74.2-81.4000114.8Y374 L377 K378 A381 D773 D779 F780 C781 I789Y374-F777 AromaticContact CD2-CE1 3.88Å; Y374-F777 HydrophobicContact CD2-CE1 3.88Å; Y374-F777 HydrophobicContact CE2-CE1 4.16Å; L377-F777 HydrophobicContact CB-CD1 3.97Å; L377-F777 HydrophobicContact CB-CE1 3.54Å; L377-F777 HydrophobicContact CB-CZ 4.01Å; L377-F777 HydrophobicContact CD1-CD1 4.31Å; K378-F777 HydrophobicContact CB-CZ 3.91Å; K378-F777 HydrophobicContact CG-CZ 4.46Å; A381-F777 HydrophobicContact CB-CE2 3.78Å; D773-F777 HydrophobicContact CB-CD2 4.49Å; D773-F777 WeakPolarHBondContact O-CB 3.29Å; D773-F777 VanDerWaalsContact O-CD2 3.29Å; D773-F777 WeakPolarHBondContact O-CD2 3.43Å; D773-F777 PolarHBondContact O-N 3.48Å; F777-D779 VanDerWaalsContact C-N 3.35Å; F777-D779 PolarHBondContact O-N 3.09Å; F777-F780 HydrophobicContact CD1-CB 4.42Å; F777-F780 HydrophobicContact CD1-CD1 4.05Å; F777-F780 WeakPolarHBondContact O-CB 3.22Å; F777-F780 PolarHBondContact O-N 3.47Å; F777-C781 PolarHBondContact O-N 3.05Å; F777-C781 PolarHBondContact O-SG 3.43Å; F777-C781 VanDerWaalsContact O-SG 3.38Å; F777-I789 HydrophobicContact CB-CB 4.23Å; F777-I789 HydrophobicContact CB-CD1 4.36Å; F777-I789 HydrophobicContact CB-CG1 4.5Å; F777-I789 HydrophobicContact CD1-CD1 3.63Å; F777-I789 HydrophobicContact CD1-CG1 4.1Å; F777-I789 HydrophobicContact CE1-CD1 4.09Å; F777-I789 HydrophobicContact CE1-CG1 4.43Å; F777-I789 HydrophobicContact CG-CB 4.35Å; F777-I789 HydrophobicContact CG-CD1 4.09Å; F777-I789 HydrophobicContact CG-CG1 4.15Å
778A66.5Low65.9Low53 Ų5363.8 Ų63.844%0.43837%0.365SS..Hα-helixtrans-51-47-177.700000114D774 F780 A782D774-A778 WeakPolarHBondContact O-CB 3.24Å; D774-A778 PolarHBondContact O-N 3.27Å; D774-A778 VanDerWaalsContact O-N 3.16Å; A778-F780 VanDerWaalsContact C-N 3.28Å; A778-F780 PolarHBondContact O-N 3.26Å; A778-A782 PolarHBondContact O-N 3.29Å
779D63Low65.2Low136 Ų13659.9 Ų59.973%0.72735%0.347SS*.Hα-helixtrans-71.2-22.8-179.8-71.7-22.3000113.3F777F777-D779 VanDerWaalsContact C-N 3.35Å; F777-D779 PolarHBondContact O-N 3.09Å
780F63.6Low64.5Low6 Ų662.7 Ų62.73%0.02636%0.356CS..Hα-helixtrans-87.4-40.4-179.6-173.3-105.4000111.5Q370 Q373 Y374 L377 F777 A778 A782 K783 I784 I789Q370-F780 WeakPolarHBondContact O-CE2 3.46Å; Q370-F780 WeakPolarHBondContact O-CZ 3.38Å; Q373-F780 HydrophobicContact CB-CD2 4.4Å; Q373-F780 HydrophobicContact CB-CE2 4.06Å; Y374-F780 HydrophobicContact CD2-CD1 4.47Å; Y374-F780 AromaticContact CD2-CE1 3.72Å; Y374-F780 HydrophobicContact CD2-CE1 3.72Å; Y374-F780 HydrophobicContact CD2-CZ 4.29Å; Y374-F780 HydrophobicContact CG-CE1 4.24Å; Y374-F780 HydrophobicContact CG-CZ 4.35Å; L377-F780 HydrophobicContact CD1-CB 3.52Å; L377-F780 HydrophobicContact CD1-CD2 3.84Å; L377-F780 HydrophobicContact CD1-CG 3.74Å; F777-F780 HydrophobicContact CD1-CB 4.42Å; F777-F780 HydrophobicContact CD1-CD1 4.05Å; F777-F780 WeakPolarHBondContact O-CB 3.22Å; F777-F780 PolarHBondContact O-N 3.47Å; A778-F780 VanDerWaalsContact C-N 3.28Å; A778-F780 PolarHBondContact O-N 3.26Å; F780-A782 VanDerWaalsContact C-N 3.34Å; F780-A782 PolarHBondContact O-N 3.33Å; F780-K783 PolarHBondContact O-N 3.07Å; F780-K783 VanDerWaalsContact O-N 3.12Å; F780-I784 HydrophobicContact CD1-CD1 3.63Å; F780-I784 HydrophobicContact CD2-CD1 4.29Å; F780-I784 HydrophobicContact CE1-CD1 3.11Å; F780-I784 HydrophobicContact CE2-CD1 3.86Å; F780-I784 HydrophobicContact CG-CD1 4.18Å; F780-I784 HydrophobicContact CZ-CD1 3.23Å; F780-I784 HydrophobicContact CZ-CG1 4.48Å; F780-I784 PolarHBondContact O-N 2.99Å; F780-I789 HydrophobicContact CD1-CD1 3.9Å; F780-I789 HydrophobicContact CE1-CD1 4.14Å
781C59.6Low63.8Low13 Ų1364.8 Ų64.89%0.08836%0.364CS..Hα-helixtrans-59.9-41.2173-70.90000112.1F777 K783 I784 G785 V786 I789F777-C781 PolarHBondContact O-N 3.05Å; F777-C781 PolarHBondContact O-SG 3.43Å; F777-C781 VanDerWaalsContact O-SG 3.38Å; C781-K783 PolarHBondContact O-N 3.19Å; C781-I784 PolarHBondContact O-N 3.11Å; C781-G785 PolarHBondContact O-N 3.23Å; C781-G785 VanDerWaalsContact O-N 3.15Å; C781-V786 CarbonylContact C-O 3.5Å; C781-V786 WeakPolarHBondContact CB-O 3.27Å; C781-V786 PolarHBondContact O-N 3.04Å; C781-I789 PolarHBondContact SG-N 3Å
782A62.5Low63Low86 Ų8661 Ų6171%0.71135%0.346SS*.Hα-helixtrans-62.2-25.9175.100000114.1A778 F780A778-A782 PolarHBondContact O-N 3.29Å; F780-A782 VanDerWaalsContact C-N 3.34Å; F780-A782 PolarHBondContact O-N 3.33Å
783K61Low62.3Low143 Ų14362 Ų6262%0.62235%0.35SS*.Hα-helixtrans-85.3-29.6179.7-75.4175.2-177.7169.30113.9F780 C781F780-K783 PolarHBondContact O-N 3.07Å; F780-K783 VanDerWaalsContact O-N 3.12Å; C781-K783 PolarHBondContact O-N 3.19Å
784I56.8Low61.7Low30 Ų3064.3 Ų64.315%0.15436%0.359CS..Hα-helixtrans-93-12.7-177.8-61.8160.1000111.4I364 L366 F780 C781 V786I364-I784 HydrophobicContact CG2-CG2 3.84Å; L366-I784 HydrophobicContact CD2-CD1 3.45Å; L366-I784 VanDerWaalsContact CD2-CD1 3.45Å; L366-I784 HydrophobicContact CD2-CG1 3.78Å; L366-I784 HydrophobicContact CD2-CG2 4.09Å; F780-I784 HydrophobicContact CD1-CD1 3.63Å; F780-I784 HydrophobicContact CD2-CD1 4.29Å; F780-I784 HydrophobicContact CE1-CD1 3.11Å; F780-I784 HydrophobicContact CE2-CD1 3.86Å; F780-I784 HydrophobicContact CG-CD1 4.18Å; F780-I784 HydrophobicContact CZ-CD1 3.23Å; F780-I784 HydrophobicContact CZ-CG1 4.48Å; F780-I784 PolarHBondContact O-N 2.99Å; C781-I784 PolarHBondContact O-N 3.11Å; I784-V786 HydrophobicContact CB-CG2 4.33Å; I784-V786 HydrophobicContact CG2-CG2 3.83Å
785G57.1Low61Low73 Ų7367.7 Ų67.775%0.75337%0.373SS*.THydrogen-bonded Turntrans80.235.4177.100000112.9C781C781-G785 PolarHBondContact O-N 3.23Å; C781-G785 VanDerWaalsContact O-N 3.15Å
786V59.1Low60.3Low21 Ų2167.9 Ų67.913%0.12737%0.367CS..  trans-124.6135179.3-162.20000107.9C781 I784 T788 E791 F792C781-V786 CarbonylContact C-O 3.5Å; C781-V786 WeakPolarHBondContact CB-O 3.27Å; C781-V786 PolarHBondContact O-N 3.04Å; I784-V786 HydrophobicContact CB-CG2 4.33Å; I784-V786 HydrophobicContact CG2-CG2 3.83Å; V786-T788 VanDerWaalsContact C-N 3.29Å; V786-T788 WeakPolarHBondContact CG1-O 3.01Å; V786-T788 PolarHBondContact O-N 3.08Å; V786-E791 HydrophobicContact CG1-CB 3.58Å; V786-F792 HydrophobicContact CG1-CB 4.4Å
787E55.4Low59.6Low174 Ų17472.8 Ų72.881%0.81339%0.391SS*.SBendtrans-70.8-24.7-173.6-69.6-167.4167.500112.8
788T57Low59.1Low46 Ų4677.5 Ų77.528%0.28241%0.412SS..SBendtrans-150.7147.8176.6-34.50000110.1D774 V786 R790 E791D774-T788 VanDerWaalsContact OD1-CG2 3.27Å; D774-T788 WeakPolarHBondContact OD1-CG2 3.48Å; V786-T788 VanDerWaalsContact C-N 3.29Å; V786-T788 WeakPolarHBondContact CG1-O 3.01Å; V786-T788 PolarHBondContact O-N 3.08Å; T788-R790 HydrophobicContact CG2-CB 4.43Å; T788-R790 HydrophobicContact CG2-CG 4.24Å; T788-R790 PolarHBondContact O-N 3.15Å; T788-E791 PolarHBondContact O-N 3.18Å; T788-E791 VanDerWaalsContact O-N 3.13Å
789I62.3Low58.6Low12 Ų1280.1 Ų80.16%0.06242%0.415CS..Hα-helixtrans-55.9-22.7177.6-15975.9000112.1Y374 F777 F780 C781 E793Y374-I789 HydrophobicContact CD2-CD1 4.13Å; Y374-I789 HydrophobicContact CE2-CD1 3.95Å; Y374-I789 HydrophobicContact CE2-CG1 4.25Å; F777-I789 HydrophobicContact CB-CB 4.23Å; F777-I789 HydrophobicContact CB-CD1 4.36Å; F777-I789 HydrophobicContact CB-CG1 4.5Å; F777-I789 HydrophobicContact CD1-CD1 3.63Å; F777-I789 HydrophobicContact CD1-CG1 4.1Å; F777-I789 HydrophobicContact CE1-CD1 4.09Å; F777-I789 HydrophobicContact CE1-CG1 4.43Å; F777-I789 HydrophobicContact CG-CB 4.35Å; F777-I789 HydrophobicContact CG-CD1 4.09Å; F777-I789 HydrophobicContact CG-CG1 4.15Å; F780-I789 HydrophobicContact CD1-CD1 3.9Å; F780-I789 HydrophobicContact CE1-CD1 4.14Å; C781-I789 PolarHBondContact SG-N 3Å; I789-E793 PolarHBondContact O-N 3.48Å; I789-E793 VanDerWaalsContact O-N 3.14Å
790R61.3Low58.2Low74 Ų7481 Ų8128%0.27941%0.412SS..Hα-helixtrans-69.4-36.1179.6-60.4-175-164.4151.841.4113.8D770 D774 T788 F792 E793 Q794D770-R790 VanDerWaalsContact CG-NH1 3.28Å; D770-R790 PolarHBondContact O-NH2 3.27Å; D770-R790 IonicContact OD1-CZ 2.68Å; D770-R790 IonicContact OD1-NE 3.04Å; D770-R790 IonicContact OD2-CZ 3.92Å; D770-R790 VanDerWaalsContact OD2-CZ 3.26Å; D770-R790 IonicContact OD2-NE 2.87Å; D770-R790 IonicContact OD2-NH1 2.79Å; D770-R790 PolarHBondContact OD2-NH1 2.96Å; D770-R790 IonicContact OD2-NH2 3.87Å; D774-R790 IonicContact OD1-CZ 3.53Å; D774-R790 IonicContact OD1-NE 3.22Å; D774-R790 IonicContact OD1-NH2 2.71Å; D774-R790 PolarHBondContact OD1-NH2 3.41Å; D774-R790 IonicContact OD2-CZ 3.38Å; D774-R790 IonicContact OD2-NH2 3.85Å; D774-R790 PolarHBondContact OD2-NH2 3.07Å; T788-R790 HydrophobicContact CG2-CB 4.43Å; T788-R790 HydrophobicContact CG2-CG 4.24Å; T788-R790 PolarHBondContact O-N 3.15Å; R790-F792 VanDerWaalsContact C-N 3.31Å; R790-F792 PolarHBondContact O-N 3.05Å; R790-E793 PolarHBondContact O-N 2.91Å; R790-Q794 WeakPolarHBondContact O-CA 3.5Å; R790-Q794 WeakPolarHBondContact O-CB 3.5Å; R790-Q794 WeakPolarHBondContact O-CG 3.41Å; R790-Q794 PolarHBondContact O-N 3.38Å
791E59.7Low58.1Low97 Ų9783.4 Ų83.445%0.45343%0.434SS..Hα-helixtrans-65.9-39.5178-73.9-177.3150.100110.8V786 T788 E795V786-E791 HydrophobicContact CG1-CB 3.58Å; T788-E791 PolarHBondContact O-N 3.18Å; T788-E791 VanDerWaalsContact O-N 3.13Å; E791-E795 PolarHBondContact O-N 3.14Å
792F57.5Low58.4Low47 Ų4788.9 Ų88.921%0.20646%0.458CS..Hα-helixtrans-66.8-43.5176.7-175.5-101000112.7I364 L366 V786 R790I364-F792 HydrophobicContact CB-CE2 4.43Å; I364-F792 HydrophobicContact CG2-CE2 4.15Å; L366-F792 HydrophobicContact CD1-CE1 3.6Å; L366-F792 HydrophobicContact CD1-CE2 4.43Å; L366-F792 HydrophobicContact CD1-CZ 3.44Å; L366-F792 VanDerWaalsContact CD1-CZ 3.44Å; L366-F792 HydrophobicContact CG-CE1 4.43Å; L366-F792 HydrophobicContact CG-CE2 4.42Å; L366-F792 HydrophobicContact CG-CZ 3.79Å; V786-F792 HydrophobicContact CG1-CB 4.4Å; R790-F792 VanDerWaalsContact C-N 3.31Å; R790-F792 PolarHBondContact O-N 3.05Å
793E59.4Low58.6Low60 Ų6087.2 Ų87.228%0.2844%0.437SS..Hα-helixtrans-74.2-35.6176.5-70.5-172.2165.900112.6Y374 K378 I789 R790 L797Y374-E793 PolarHBondContact OH-OE1 3.3Å; K378-E793 IonicContact NZ-OE1 3.44Å; K378-E793 PolarHBondContact NZ-OE1 2.99Å; I789-E793 PolarHBondContact O-N 3.48Å; I789-E793 VanDerWaalsContact O-N 3.14Å; R790-E793 PolarHBondContact O-N 2.91Å; E793-L797 HydrophobicContact CB-CD1 4.43Å; E793-L797 WeakPolarHBondContact O-CB 3.45Å; E793-L797 PolarHBondContact O-N 2.65Å
794Q55.5Low58.9Low91 Ų9184.8 Ų84.843%0.42543%0.431SS..Hα-helixtrans-74.5-40.3-177.2-73.4-170.622.300113.4R790 K798R790-Q794 WeakPolarHBondContact O-CA 3.5Å; R790-Q794 WeakPolarHBondContact O-CB 3.5Å; R790-Q794 WeakPolarHBondContact O-CG 3.41Å; R790-Q794 PolarHBondContact O-N 3.38Å; Q794-K798 HydrophobicContact CB-CD 4.11Å; Q794-K798 HydrophobicContact CG-CD 4.23Å; Q794-K798 WeakPolarHBondContact O-CB 3.29Å; Q794-K798 WeakPolarHBondContact O-CG 3.43Å; Q794-K798 PolarHBondContact O-N 3.37Å
795E55.2Low59.7Low130 Ų13089.9 Ų89.961%0.60745%0.452SS*.Hα-helixtrans-71-40.8-178.3-76-167.1146.200112.4E791 Q799E791-E795 PolarHBondContact O-N 3.14Å; E795-Q799 WeakPolarHBondContact O-CB 3.47Å; E795-Q799 WeakPolarHBondContact O-CG 3.34Å
796H55.3Low60.5Low109 Ų10990.3 Ų90.351%0.50543%0.433SS..Hα-helixtrans-89.4-36.7-174.3-99.9-85.8000114.7
797L55.6Low61Low120 Ų12095.2 Ų95.263%0.62845%0.449SS*.Hα-helixtrans-83.9-36.5178.8-80.7122.2000113.1E793 A801E793-L797 HydrophobicContact CB-CD1 4.43Å; E793-L797 WeakPolarHBondContact O-CB 3.45Å; E793-L797 PolarHBondContact O-N 2.65Å; L797-A801 WeakPolarHBondContact O-CB 3.45Å; L797-A801 PolarHBondContact O-N 3.05Å
798K57.9Low62Low106 Ų10692.9 Ų92.946%0.46144%0.441SS..Hα-helixtrans-69.1-41178.9-66.9178.9173.2170.70112Q794 K800 A801 E802Q794-K798 HydrophobicContact CB-CD 4.11Å; Q794-K798 HydrophobicContact CG-CD 4.23Å; Q794-K798 WeakPolarHBondContact O-CB 3.29Å; Q794-K798 WeakPolarHBondContact O-CG 3.43Å; Q794-K798 PolarHBondContact O-N 3.37Å; K798-K800 VanDerWaalsContact C-N 3.29Å; K798-K800 PolarHBondContact O-N 3.17Å; K798-A801 PolarHBondContact O-N 3.02Å; K798-E802 WeakPolarHBondContact O-CB 3.4Å; K798-E802 WeakPolarHBondContact O-CG 3.33Å; K798-E802 PolarHBondContact O-N 3.44Å
799Q55.7Low63Low109 Ų10993.9 Ų93.951%0.50944%0.443SS..Hα-helixtrans-62.5-37179.3-72.3-179.39.700112.2E795 L803E795-Q799 WeakPolarHBondContact O-CB 3.47Å; E795-Q799 WeakPolarHBondContact O-CG 3.34Å; Q799-L803 WeakPolarHBondContact O-CB 3.37Å; Q799-L803 PolarHBondContact O-N 3.38Å; Q799-L803 VanDerWaalsContact O-N 3.15Å
800K54.8Low63.7Low153 Ų15395.6 Ų95.667%0.66545%0.45SS*.Hα-helixtrans-72-42.1176.3-147.1173.6-173.8174.80111.8K798 L803 D804K798-K800 VanDerWaalsContact C-N 3.29Å; K798-K800 PolarHBondContact O-N 3.17Å; K800-L803 PolarHBondContact O-N 3.25Å; K800-D804 PolarHBondContact O-N 3.31Å
801A61.6Low64.4Low58 Ų5896.3 Ų96.348%0.47946%0.457SS..Hα-helixtrans-68.3-35.6176.400000113.4L797 K798 K805L797-A801 WeakPolarHBondContact O-CB 3.45Å; L797-A801 PolarHBondContact O-N 3.05Å; K798-A801 PolarHBondContact O-N 3.02Å; A801-K805 VanDerWaalsContact O-CB 3.23Å; A801-K805 WeakPolarHBondContact O-CB 3.4Å; A801-K805 PolarHBondContact O-N 3.05Å
802E66.1Low65.3Low127 Ų12795.3 Ų95.359%0.59346%0.461SS*.Hα-helixtrans-68.9-39.7175.2-80.4-176.816700111.9K798 K805 K806K798-E802 WeakPolarHBondContact O-CB 3.4Å; K798-E802 WeakPolarHBondContact O-CG 3.33Å; K798-E802 PolarHBondContact O-N 3.44Å; E802-K805 PolarHBondContact O-N 2.78Å; E802-K806 WeakPolarHBondContact O-CB 3.28Å; E802-K806 WeakPolarHBondContact O-CG 3.44Å; E802-K806 PolarHBondContact O-N 2.8Å
803L66Low66.3Low51 Ų5197.6 Ų97.627%0.26747%0.472SS..Hα-helixtrans-60.8-48171.8-95.6171.4000111.7T354 Q799 K800 K805 K806 R807T354-L803 HydrophobicContact CG2-CD1 3.78Å; T354-L803 HydrophobicContact CG2-CD2 3.82Å; T354-L803 HydrophobicContact CG2-CG 3.92Å; Q799-L803 WeakPolarHBondContact O-CB 3.37Å; Q799-L803 PolarHBondContact O-N 3.38Å; Q799-L803 VanDerWaalsContact O-N 3.15Å; K800-L803 PolarHBondContact O-N 3.25Å; L803-K805 VanDerWaalsContact C-N 3.35Å; L803-K805 PolarHBondContact O-N 2.78Å; L803-K806 PolarHBondContact O-N 3.11Å; L803-R807 VanDerWaalsContact O-CB 3.26Å; L803-R807 WeakPolarHBondContact O-CB 3.35Å; L803-R807 PolarHBondContact O-N 2.98Å
804D67.3Low67.2Low92 Ų9297.6 Ų97.649%0.49247%0.472SS..Hα-helixtrans-66-37.7179-74.2-26.5000111.7K800 R807 L808K800-D804 PolarHBondContact O-N 3.31Å; D804-R807 PolarHBondContact O-N 3.24Å; D804-L808 WeakPolarHBondContact O-CB 3.46Å; D804-L808 PolarHBondContact O-N 3.28Å
805K74.9Confident68.2Low137 Ų13796.1 Ų96.160%0.59648%0.475SS*.Hα-helixtrans-65.6-46.3175.1-173.5-179.8178.2-177.40111.9A801 E802 L803 R807 L808 E809A801-K805 VanDerWaalsContact O-CB 3.23Å; A801-K805 WeakPolarHBondContact O-CB 3.4Å; A801-K805 PolarHBondContact O-N 3.05Å; E802-K805 PolarHBondContact O-N 2.78Å; L803-K805 VanDerWaalsContact C-N 3.35Å; L803-K805 PolarHBondContact O-N 2.78Å; K805-R807 VanDerWaalsContact C-N 3.32Å; K805-R807 PolarHBondContact O-N 3.37Å; K805-L808 PolarHBondContact O-N 2.93Å; K805-E809 WeakPolarHBondContact CE-OE1 3.38Å; K805-E809 WeakPolarHBondContact O-CG 3.29Å; K805-E809 PolarHBondContact O-N 2.95Å
806K73.1Confident69.6Low82 Ų8298.5 Ų98.536%0.35748%0.479SS..Hα-helixtrans-63.9-39.7176.8-76.5-74.7165.2-153.40111.4Y350 E802 L803 E809 F810Y350-K806 HydrophobicContact CE1-CB 4.25Å; Y350-K806 HydrophobicContact CE1-CG 4.47Å; E802-K806 WeakPolarHBondContact O-CB 3.28Å; E802-K806 WeakPolarHBondContact O-CG 3.44Å; E802-K806 PolarHBondContact O-N 2.8Å; L803-K806 PolarHBondContact O-N 3.11Å; K806-E809 IonicContact NZ-OE2 3.78Å; K806-E809 PolarHBondContact NZ-OE2 3.34Å; K806-E809 PolarHBondContact O-N 3.36Å; K806-F810 WeakPolarHBondContact O-CD2 3.4Å; K806-F810 PolarHBondContact O-N 3.12Å
807R70.6Confident70.8Confident124 Ų12494.8 Ų94.847%0.46846%0.462SS..Hα-helixtrans-58.4-47.4172.4-176.2180172.3179.31.2111.6W347 L803 D804 K805 E809 F810 E811W347-R807 HydrophobicContact CH2-CB 3.7Å; W347-R807 HydrophobicContact CH2-CG 3.94Å; W347-R807 HydrophobicContact CZ2-CB 4.36Å; W347-R807 HydrophobicContact CZ2-CG 4.09Å; W347-R807 HydrophobicContact CZ3-CB 4.28Å; L803-R807 VanDerWaalsContact O-CB 3.26Å; L803-R807 WeakPolarHBondContact O-CB 3.35Å; L803-R807 PolarHBondContact O-N 2.98Å; D804-R807 PolarHBondContact O-N 3.24Å; K805-R807 VanDerWaalsContact C-N 3.32Å; K805-R807 PolarHBondContact O-N 3.37Å; R807-E809 VanDerWaalsContact C-N 3.34Å; R807-E809 PolarHBondContact O-N 3.43Å; R807-F810 PolarHBondContact O-N 3.07Å; R807-E811 HydrophobicContact CG-CG 4.43Å; R807-E811 IonicContact CZ-OE1 2.78Å; R807-E811 IonicContact NE-OE1 2.68Å; R807-E811 PolarHBondContact NE-OE1 2.96Å; R807-E811 IonicContact NH2-OE1 3.57Å; R807-E811 PolarHBondContact NH2-OE1 3.2Å; R807-E811 WeakPolarHBondContact O-CB 3.44Å; R807-E811 WeakPolarHBondContact O-CG 3.25Å; R807-E811 PolarHBondContact O-N 3.34Å
808L74.8Confident72Confident125 Ų12592 Ų9265%0.65445%0.448SS*.Hα-helixtrans-64.6-37.9178.6-139.3106.8000112.2D804 K805 S812D804-L808 WeakPolarHBondContact O-CB 3.46Å; D804-L808 PolarHBondContact O-N 3.28Å; K805-L808 PolarHBondContact O-N 2.93Å; L808-S812 VanDerWaalsContact O-CB 3.22Å; L808-S812 WeakPolarHBondContact O-CB 3.5Å; L808-S812 PolarHBondContact O-N 3.08Å
809E78.8Confident73.2Confident68 Ų6889.6 Ų89.632%0.31845%0.448SS..Hα-helixtrans-61.7-45.8174.6-75171.4-169.900111.4K805 K806 R807 S812 Q813K805-E809 WeakPolarHBondContact CE-OE1 3.38Å; K805-E809 WeakPolarHBondContact O-CG 3.29Å; K805-E809 PolarHBondContact O-N 2.95Å; K806-E809 IonicContact NZ-OE2 3.78Å; K806-E809 PolarHBondContact NZ-OE2 3.34Å; K806-E809 PolarHBondContact O-N 3.36Å; R807-E809 VanDerWaalsContact C-N 3.34Å; R807-E809 PolarHBondContact O-N 3.43Å; E809-S812 PolarHBondContact O-N 3.34Å; E809-Q813 WeakPolarHBondContact O-CG 3.28Å; E809-Q813 PolarHBondContact O-N 3.48Å
810F77.6Confident74.5Confident48 Ų4888.3 Ų88.321%0.21144%0.442CS..Hα-helixtrans-70-41.2177.4-78.4-66.1000112.8L343 W347 K806 R807 S812 Q813 Q814L343-F810 HydrophobicContact CD1-CD1 4.47Å; L343-F810 HydrophobicContact CG-CD1 4.45Å; W347-F810 HydrophobicContact CE3-CB 4.27Å; W347-F810 AromaticContact CE3-CD2 3.53Å; W347-F810 HydrophobicContact CE3-CD2 3.53Å; W347-F810 HydrophobicContact CE3-CE2 4.14Å; W347-F810 HydrophobicContact CE3-CG 4.08Å; W347-F810 AromaticContact CZ3-CD2 3.87Å; W347-F810 HydrophobicContact CZ3-CD2 3.87Å; W347-F810 HydrophobicContact CZ3-CE2 4.49Å; K806-F810 WeakPolarHBondContact O-CD2 3.4Å; K806-F810 PolarHBondContact O-N 3.12Å; R807-F810 PolarHBondContact O-N 3.07Å; F810-S812 VanDerWaalsContact C-N 3.3Å; F810-S812 PolarHBondContact O-N 2.86Å; F810-Q813 PolarHBondContact O-N 3.05Å; F810-Q814 WeakPolarHBondContact O-CB 3.37Å; F810-Q814 PolarHBondContact O-N 3.28Å
811E74.9Confident75.9Confident88 Ų8882.1 Ų82.141%0.41142%0.416SS..Hα-helixtrans-62.5-38.5174.7-75.9176.8-176.600110.9R807 A815R807-E811 HydrophobicContact CG-CG 4.43Å; R807-E811 IonicContact CZ-OE1 2.78Å; R807-E811 IonicContact NE-OE1 2.68Å; R807-E811 PolarHBondContact NE-OE1 2.96Å; R807-E811 IonicContact NH2-OE1 3.57Å; R807-E811 PolarHBondContact NH2-OE1 3.2Å; R807-E811 WeakPolarHBondContact O-CB 3.44Å; R807-E811 WeakPolarHBondContact O-CG 3.25Å; R807-E811 PolarHBondContact O-N 3.34Å; E811-A815 VanDerWaalsContact O-CB 3.27Å; E811-A815 WeakPolarHBondContact O-CB 3.46Å; E811-A815 PolarHBondContact O-N 3.15Å
812S78.9Confident76.9Confident77 Ų7786.3 Ų86.354%0.53843%0.425SS..Hα-helixtrans-67.1-42174.5177.10000112.8L808 E809 F810 A815 R816L808-S812 VanDerWaalsContact O-CB 3.22Å; L808-S812 WeakPolarHBondContact O-CB 3.5Å; L808-S812 PolarHBondContact O-N 3.08Å; E809-S812 PolarHBondContact O-N 3.34Å; F810-S812 VanDerWaalsContact C-N 3.3Å; F810-S812 PolarHBondContact O-N 2.86Å; S812-A815 PolarHBondContact O-N 3.06Å; S812-R816 WeakPolarHBondContact O-CB 3.38Å; S812-R816 PolarHBondContact O-N 2.78Å
813Q78.7Confident77.8Confident95 Ų9587.2 Ų87.244%0.44443%0.425SS..Hα-helixtrans-65.1-41.6175.9-751771.800111.7L343 E809 F810 R816 L817L343-Q813 HydrophobicContact CD2-CB 4.17Å; E809-Q813 WeakPolarHBondContact O-CG 3.28Å; E809-Q813 PolarHBondContact O-N 3.48Å; F810-Q813 PolarHBondContact O-N 3.05Å; Q813-R816 PolarHBondContact O-N 3.28Å; Q813-L817 PolarHBondContact O-N 3.3Å
814Q77.2Confident78.5Confident60 Ų6087.7 Ų87.728%0.2843%0.425SS..Hα-helixtrans-65.3-42.8175.9-170.7-179.6-4.500111.7L343 F810 R816 L817 N818L343-Q814 HydrophobicContact CD2-CB 4.18Å; F810-Q814 WeakPolarHBondContact O-CB 3.37Å; F810-Q814 PolarHBondContact O-N 3.28Å; Q814-R816 VanDerWaalsContact C-N 3.32Å; Q814-R816 PolarHBondContact O-N 3.31Å; Q814-L817 PolarHBondContact O-N 2.86Å; Q814-N818 VanDerWaalsContact O-CB 3.32Å; Q814-N818 WeakPolarHBondContact O-CB 3.33Å; Q814-N818 VanDerWaalsContact O-CG 3.29Å; Q814-N818 PolarHBondContact O-N 3.26Å; Q814-N818 PolarHBondContact O-ND2 3.38Å
815A78.1Confident79.2Confident60 Ų6085.3 Ų85.350%0.49642%0.418SS..Hα-helixtrans-62.7-39.1175.700000111.9E811 S812 A819E811-A815 VanDerWaalsContact O-CB 3.27Å; E811-A815 WeakPolarHBondContact O-CB 3.46Å; E811-A815 PolarHBondContact O-N 3.15Å; S812-A815 PolarHBondContact O-N 3.06Å; A815-A819 WeakPolarHBondContact O-CB 3.43Å; A815-A819 PolarHBondContact O-N 2.73Å
816R83.7Confident79.6Confident180 Ų18084.7 Ų84.768%0.67942%0.418SS*.Hα-helixtrans-65.3-48.4176.7-176.5179.9176-177.9-1112.3S812 Q813 Q814 A819 Q820S812-R816 WeakPolarHBondContact O-CB 3.38Å; S812-R816 PolarHBondContact O-N 2.78Å; Q813-R816 PolarHBondContact O-N 3.28Å; Q814-R816 VanDerWaalsContact C-N 3.32Å; Q814-R816 PolarHBondContact O-N 3.31Å; R816-A819 PolarHBondContact O-N 3.23Å; R816-Q820 WeakPolarHBondContact O-CG 3.46Å; R816-Q820 PolarHBondContact O-N 3Å
817L81.6Confident80Confident30 Ų3083.1 Ų83.116%0.15741%0.412CS..Hα-helixtrans-64.5-39.5177.9-79.5162.4000111.6V340 L343 Q813 Q814 Q820 L821V340-L817 HydrophobicContact CG2-CB 3.76Å; V340-L817 HydrophobicContact CG2-CD1 4.38Å; L343-L817 HydrophobicContact CD2-CD1 4.34Å; Q813-L817 PolarHBondContact O-N 3.3Å; Q814-L817 PolarHBondContact O-N 2.86Å; L817-Q820 PolarHBondContact O-N 3.46Å; L817-L821 WeakPolarHBondContact O-CG 3.47Å; L817-L821 PolarHBondContact O-N 3.05Å
818N80.5Confident80.7Confident62 Ų6277.8 Ų77.833%0.33239%0.392SS..Hα-helixtrans-64-40.7174.5-77.9-16.4000112.5Q814 Q820 L821 E822Q814-N818 VanDerWaalsContact O-CB 3.32Å; Q814-N818 WeakPolarHBondContact O-CB 3.33Å; Q814-N818 VanDerWaalsContact O-CG 3.29Å; Q814-N818 PolarHBondContact O-N 3.26Å; Q814-N818 PolarHBondContact O-ND2 3.38Å; N818-Q820 VanDerWaalsContact C-N 3.32Å; N818-Q820 PolarHBondContact O-N 3.48Å; N818-L821 PolarHBondContact O-N 3.44Å; N818-E822 WeakPolarHBondContact O-CG 3.47Å; N818-E822 PolarHBondContact O-N 3.3Å
819A81.7Confident81.1Confident55 Ų5574.5 Ų74.546%0.45538%0.383SS..Hα-helixtrans-65.2-35.7174.600000112.2A815 R816 Y823A815-A819 WeakPolarHBondContact O-CB 3.43Å; A815-A819 PolarHBondContact O-N 2.73Å; R816-A819 PolarHBondContact O-N 3.23Å; A819-Y823 WeakPolarHBondContact O-CB 3.48Å; A819-Y823 PolarHBondContact O-N 3.23Å
820Q82.9Confident81.3Confident83 Ų8375.4 Ų75.439%0.38839%0.387SS..Hα-helixtrans-65.2-46172.1-74.9178-72.400111.5R816 L817 N818 E822 Y823 E824R816-Q820 WeakPolarHBondContact O-CG 3.46Å; R816-Q820 PolarHBondContact O-N 3Å; L817-Q820 PolarHBondContact O-N 3.46Å; N818-Q820 VanDerWaalsContact C-N 3.32Å; N818-Q820 PolarHBondContact O-N 3.48Å; Q820-E822 PolarHBondContact O-N 2.85Å; Q820-Y823 PolarHBondContact O-N 3.22Å; Q820-E824 WeakPolarHBondContact O-CG 3.24Å; Q820-E824 PolarHBondContact O-N 3.44Å
821L84.6Confident81.5Confident23 Ų2374.5 Ų74.512%0.1238%0.384CS..Hα-helixtrans-59.3-43.5175.8-78.8174.5000112.7L333 D336 Q337 V340 L817 N818 E824 A825L333-L821 HydrophobicContact CD1-CD2 3.67Å; L333-L821 HydrophobicContact CG-CD2 4.35Å; D336-L821 HydrophobicContact CB-CD2 3.48Å; D336-L821 VanDerWaalsContact CB-CD2 3.48Å; D336-L821 HydrophobicContact CB-CG 4.23Å; Q337-L821 HydrophobicContact CG-CD1 4.15Å; Q337-L821 HydrophobicContact CG-CD2 3.8Å; V340-L821 HydrophobicContact CG2-CD1 3.75Å; L817-L821 WeakPolarHBondContact O-CG 3.47Å; L817-L821 PolarHBondContact O-N 3.05Å; N818-L821 PolarHBondContact O-N 3.44Å; L821-E824 PolarHBondContact O-N 3.16Å; L821-A825 WeakPolarHBondContact O-CB 3.33Å; L821-A825 PolarHBondContact O-N 3.34Å
822E83.4Confident81.9Confident145 Ų14575 Ų7568%0.67838%0.384SS*.Hα-helixtrans-63-44.7176.2-78-178.717600111.5N818 Q820 A825 E826N818-E822 WeakPolarHBondContact O-CG 3.47Å; N818-E822 PolarHBondContact O-N 3.3Å; Q820-E822 PolarHBondContact O-N 2.85Å; E822-A825 PolarHBondContact O-N 3.39Å; E822-E826 WeakPolarHBondContact O-CB 3.34Å; E822-E826 PolarHBondContact O-N 3.05Å
823Y83.7Confident82.1Confident147 Ų14778 Ų7858%0.57639%0.388SS*.Hα-helixtrans-62.1-46.2176.8177.7-102.5000112.2A819 Q820 E826 Q827A819-Y823 WeakPolarHBondContact O-CB 3.48Å; A819-Y823 PolarHBondContact O-N 3.23Å; Q820-Y823 PolarHBondContact O-N 3.22Å; Y823-E826 PolarHBondContact O-N 2.93Å; Y823-Q827 HydrophobicContact CD1-CG 4.35Å; Y823-Q827 HydrophobicContact CE1-CG 4Å; Y823-Q827 HydrophobicContact CE2-CG 4.24Å; Y823-Q827 WeakPolarHBondContact O-CB 3.42Å; Y823-Q827 VanDerWaalsContact O-CG 3.24Å; Y823-Q827 WeakPolarHBondContact O-CG 3.44Å; Y823-Q827 PolarHBondContact O-N 3.49Å
824E81.8Confident82.3Confident61 Ų6178.1 Ų78.129%0.28539%0.387SS..Hα-helixtrans-67.1-39178.7-70-158168.800112.4L333 Q820 L821 Q827 L828L333-E824 HydrophobicContact CD1-CB 3.8Å; Q820-E824 WeakPolarHBondContact O-CG 3.24Å; Q820-E824 PolarHBondContact O-N 3.44Å; L821-E824 PolarHBondContact O-N 3.16Å; E824-Q827 PolarHBondContact O-N 3.48Å; E824-L828 VanDerWaalsContact O-CB 3.25Å; E824-L828 WeakPolarHBondContact O-CB 3.36Å; E824-L828 PolarHBondContact O-N 2.98Å
825A82.1Confident82.8Confident41 Ų4176.4 Ų76.434%0.33938%0.379SS..Hα-helixtrans-63.1-41.1174.700000112L333 L821 E822 L828 A829L333-A825 HydrophobicContact CD1-CB 4.35Å; L333-A825 HydrophobicContact CD2-CB 4.46Å; L821-A825 WeakPolarHBondContact O-CB 3.33Å; L821-A825 PolarHBondContact O-N 3.34Å; E822-A825 PolarHBondContact O-N 3.39Å; A825-L828 PolarHBondContact O-N 3.2Å; A825-A829 WeakPolarHBondContact O-CB 3.3Å; A825-A829 PolarHBondContact O-N 2.98Å
826E83.6Confident83.1Confident125 Ų12576 Ų7658%0.58437%0.373SS*.Hα-helixtrans-69.2-40.8177-170.5162.5-161.400111.9E822 Y823 L828 A829 Q830E822-E826 WeakPolarHBondContact O-CB 3.34Å; E822-E826 PolarHBondContact O-N 3.05Å; Y823-E826 PolarHBondContact O-N 2.93Å; E826-L828 VanDerWaalsContact C-N 3.34Å; E826-L828 PolarHBondContact O-N 2.97Å; E826-A829 PolarHBondContact O-N 3.07Å; E826-Q830 WeakPolarHBondContact O-CG 3.35Å; E826-Q830 PolarHBondContact O-N 2.91Å
827Q80.9Confident83.2Confident49 Ų4973.7 Ų73.723%0.22937%0.368CS..Hα-helixtrans-60.2-43.3172.9-74.3-69.1-33.600111.9Y823 E824 Q830 E831Y823-Q827 HydrophobicContact CD1-CG 4.35Å; Y823-Q827 HydrophobicContact CE1-CG 4Å; Y823-Q827 HydrophobicContact CE2-CG 4.24Å; Y823-Q827 WeakPolarHBondContact O-CB 3.42Å; Y823-Q827 VanDerWaalsContact O-CG 3.24Å; Y823-Q827 WeakPolarHBondContact O-CG 3.44Å; Y823-Q827 PolarHBondContact O-N 3.49Å; E824-Q827 PolarHBondContact O-N 3.48Å; Q827-Q830 PolarHBondContact O-N 2.99Å; Q827-E831 WeakPolarHBondContact O-CG 3.3Å; Q827-E831 PolarHBondContact O-N 3.44Å
828L84.6Confident83.2Confident12 Ų1275.8 Ų75.86%0.06338%0.378CS..Hα-helixtrans-62.6-42.2175.9-173.392.4000111.3M326 K329 Q330 L333 E824 A825 E826 E831 K832M326-L828 HydrophobicContact CE-CD1 3.45Å; M326-L828 VanDerWaalsContact CE-CD1 3.45Å; M326-L828 HydrophobicContact CE-CG 3.76Å; M326-L828 HydrophobicContact SD-CD1 4.14Å; K329-L828 HydrophobicContact CB-CD1 4.05Å; Q330-L828 HydrophobicContact CB-CD1 4.21Å; L333-L828 HydrophobicContact CD2-CD2 4.26Å; E824-L828 VanDerWaalsContact O-CB 3.25Å; E824-L828 WeakPolarHBondContact O-CB 3.36Å; E824-L828 PolarHBondContact O-N 2.98Å; A825-L828 PolarHBondContact O-N 3.2Å; E826-L828 VanDerWaalsContact C-N 3.34Å; E826-L828 PolarHBondContact O-N 2.97Å; L828-E831 PolarHBondContact O-N 3.48Å; L828-K832 WeakPolarHBondContact O-CG 3.05Å; L828-K832 PolarHBondContact O-N 3.27Å
829A84.1Confident83.5Confident56 Ų5675.2 Ų75.246%0.46337%0.373SS..Hα-helixtrans-64.1-41.6176.400000112.2A825 E826 K832 K833A825-A829 WeakPolarHBondContact O-CB 3.3Å; A825-A829 PolarHBondContact O-N 2.98Å; E826-A829 PolarHBondContact O-N 3.07Å; A829-K832 PolarHBondContact O-N 2.89Å; A829-K833 PolarHBondContact O-N 3.49Å
830Q82.1Confident83.7Confident86 Ų8676.4 Ų76.440%0.40237%0.372SS..Hα-helixtrans-64.4-43.2175.2-70.9-177.815.200112.1E826 Q827 K833 K834E826-Q830 WeakPolarHBondContact O-CG 3.35Å; E826-Q830 PolarHBondContact O-N 2.91Å; Q827-Q830 PolarHBondContact O-N 2.99Å; Q830-K833 PolarHBondContact O-N 3.37Å; Q830-K834 WeakPolarHBondContact O-CG 3.47Å; Q830-K834 PolarHBondContact O-N 3.4Å
831E81.4Confident83.8Confident29 Ų2975.6 Ų75.614%0.13637%0.373CS..Hα-helixtrans-68.4-34.6176.5-70.3-67121.600112.1K322 M326 Q827 L828 K833 K834 L835K322-E831 IonicContact NZ-OE2 2.72Å; K322-E831 PolarHBondContact NZ-OE2 3.44Å; M326-E831 HydrophobicContact CG-CB 4.37Å; M326-E831 HydrophobicContact SD-CB 3.3Å; M326-E831 WeakPolarHBondContact SD-CB 3.49Å; M326-E831 HydrophobicContact SD-CG 4.32Å; Q827-E831 WeakPolarHBondContact O-CG 3.3Å; Q827-E831 PolarHBondContact O-N 3.44Å; L828-E831 PolarHBondContact O-N 3.48Å; E831-K833 PolarHBondContact O-N 2.65Å; E831-K834 PolarHBondContact O-N 3.07Å; E831-K834 VanDerWaalsContact OE1-CD 3.29Å; E831-K834 WeakPolarHBondContact OE1-CD 3.49Å; E831-K834 IonicContact OE1-NZ 2.66Å; E831-K834 PolarHBondContact OE1-NZ 2.77Å; E831-L835 WeakPolarHBondContact O-CB 3.4Å; E831-L835 PolarHBondContact O-N 2.94Å
832K83.5Confident84Confident99 Ų9975.3 Ų75.343%0.4337%0.371SS..Hα-helixtrans-59.5-44.4169.8-77.8178.8-177.5172.20112M326 L828 A829 K834 L835 S836M326-K832 HydrophobicContact CE-CD 4.24Å; M326-K832 HydrophobicContact CE-CG 3.45Å; M326-K832 VanDerWaalsContact CE-CG 3.45Å; L828-K832 WeakPolarHBondContact O-CG 3.05Å; L828-K832 PolarHBondContact O-N 3.27Å; A829-K832 PolarHBondContact O-N 2.89Å; K832-K834 PolarHBondContact O-N 3.02Å; K832-L835 PolarHBondContact O-N 3.43Å; K832-S836 PolarHBondContact O-N 2.9Å
833K84.5Confident84.2Confident140 Ų14076 Ų7661%0.60937%0.368SS*.Hα-helixtrans-67.2-34177.7-168.6175.4-176.2175.60112.6A829 Q830 E831 S836 K837A829-K833 PolarHBondContact O-N 3.49Å; Q830-K833 PolarHBondContact O-N 3.37Å; E831-K833 PolarHBondContact O-N 2.65Å; K833-S836 PolarHBondContact O-OG 3.35Å; K833-K837 WeakPolarHBondContact O-CG 3.02Å; K833-K837 PolarHBondContact O-N 3.35Å
834K82.1Confident84.4Confident97 Ų9775.7 Ų75.742%0.42237%0.369SS..Hα-helixtrans-69.7-41.3173-72.1164177.9163.40111.2Q830 E831 K832 K837 M838Q830-K834 WeakPolarHBondContact O-CG 3.47Å; Q830-K834 PolarHBondContact O-N 3.4Å; E831-K834 PolarHBondContact O-N 3.07Å; E831-K834 VanDerWaalsContact OE1-CD 3.29Å; E831-K834 WeakPolarHBondContact OE1-CD 3.49Å; E831-K834 IonicContact OE1-NZ 2.66Å; E831-K834 PolarHBondContact OE1-NZ 2.77Å; K832-K834 PolarHBondContact O-N 3.02Å; K834-K837 PolarHBondContact O-N 3.1Å; K834-M838 WeakPolarHBondContact O-CG 3.47Å; K834-M838 PolarHBondContact O-N 3.3Å
835L86.9Confident84.6Confident24 Ų2474.3 Ų74.313%0.12636%0.363CS..Hα-helixtrans-63.3-44.3177.7-169.372.2000111.5V319 K322 R323 E831 K832 K837 M838 E839V319-L835 HydrophobicContact CG1-CD1 4.09Å; K322-L835 HydrophobicContact CB-CD1 3.97Å; R323-L835 HydrophobicContact CG-CD1 4.22Å; R323-L835 HydrophobicContact CG-CD2 3.82Å; E831-L835 WeakPolarHBondContact O-CB 3.4Å; E831-L835 PolarHBondContact O-N 2.94Å; K832-L835 PolarHBondContact O-N 3.43Å; L835-K837 VanDerWaalsContact C-N 3.32Å; L835-K837 PolarHBondContact O-N 2.94Å; L835-M838 WeakPolarHBondContact O-CB 3.49Å; L835-M838 PolarHBondContact O-N 2.91Å; L835-M838 VanDerWaalsContact O-N 3.1Å; L835-E839 WeakPolarHBondContact O-CG 3.02Å; L835-E839 PolarHBondContact O-N 2.86Å
836S86.3Confident84.8Confident53 Ų5377.3 Ų77.337%0.37137%0.37SS..Hα-helixtrans-61.3-41.7178.186.70000111.8K832 K833 M838 E839 D840K832-S836 PolarHBondContact O-N 2.9Å; K833-S836 PolarHBondContact O-OG 3.35Å; S836-M838 VanDerWaalsContact C-N 3.32Å; S836-M838 PolarHBondContact O-N 3.49Å; S836-E839 PolarHBondContact O-N 2.92Å; S836-D840 PolarHBondContact O-N 3.41Å
837K85.4Confident85Confident130 Ų13077.3 Ų77.357%0.56537%0.37SS*.Hα-helixtrans-61.9-39.9174.5-71.9177.5178.6-1720112K833 K834 L835 D840 T841K833-K837 WeakPolarHBondContact O-CG 3.02Å; K833-K837 PolarHBondContact O-N 3.35Å; K834-K837 PolarHBondContact O-N 3.1Å; L835-K837 VanDerWaalsContact C-N 3.32Å; L835-K837 PolarHBondContact O-N 2.94Å; K837-D840 PolarHBondContact O-N 3.27Å; K837-T841 WeakPolarHBondContact O-CG2 3.31Å; K837-T841 PolarHBondContact O-N 2.79Å; K837-T841 PolarHBondContact O-OG1 3.11Å
838M81.8Confident85.2Confident75 Ų7576 Ų7637%0.36937%0.367SS..Hα-helixtrans-66.9-39.9176.2-74.7-179.5161.300111.8V319 K834 L835 S836 T841 I842V319-M838 HydrophobicContact CG2-CB 3.73Å; K834-M838 WeakPolarHBondContact O-CG 3.47Å; K834-M838 PolarHBondContact O-N 3.3Å; L835-M838 WeakPolarHBondContact O-CB 3.49Å; L835-M838 PolarHBondContact O-N 2.91Å; L835-M838 VanDerWaalsContact O-N 3.1Å; S836-M838 VanDerWaalsContact C-N 3.32Å; S836-M838 PolarHBondContact O-N 3.49Å; M838-T841 VanDerWaalsContact C-OG1 3.31Å; M838-T841 VanDerWaalsContact CA-OG1 3.28Å; M838-T841 WeakPolarHBondContact CA-OG1 3.49Å; M838-T841 PolarHBondContact O-N 3.19Å; M838-T841 PolarHBondContact O-OG1 3.05Å; M838-I842 WeakPolarHBondContact O-CG1 3.46Å; M838-I842 PolarHBondContact O-N 3.42Å
839E85.4Confident85.4Confident50 Ų5075.9 Ų75.923%0.23437%0.367CS..Hα-helixtrans-64.3-39.4174.7-70.9176.116700111.8V319 R323 L835 S836 T841 I842 R843V319-E839 HydrophobicContact CG1-CG 4.18Å; R323-E839 IonicContact CZ-OE1 3.23Å; R323-E839 IonicContact NE-OE1 3.26Å; R323-E839 PolarHBondContact NE-OE1 3.28Å; R323-E839 VanDerWaalsContact NE-OE1 3.12Å; R323-E839 IonicContact NH2-OE1 3.8Å; R323-E839 PolarHBondContact NH2-OE1 2.89Å; L835-E839 WeakPolarHBondContact O-CG 3.02Å; L835-E839 PolarHBondContact O-N 2.86Å; S836-E839 PolarHBondContact O-N 2.92Å; E839-T841 VanDerWaalsContact C-N 3.33Å; E839-T841 PolarHBondContact O-N 2.87Å; E839-I842 PolarHBondContact O-N 3.35Å; E839-R843 WeakPolarHBondContact O-CG 3.31Å; E839-R843 PolarHBondContact O-N 3.4Å
840D86.4Confident85.6Confident80 Ų8076.9 Ų76.943%0.42837%0.368SS..Hα-helixtrans-64.6-36.9173-69.9-29.4000112.1S836 K837 R843 K844S836-D840 PolarHBondContact O-N 3.41Å; K837-D840 PolarHBondContact O-N 3.27Å; D840-R843 PolarHBondContact O-N 2.78Å; D840-K844 WeakPolarHBondContact O-CG 3.26Å; D840-K844 PolarHBondContact O-N 2.97Å; D840-K844 VanDerWaalsContact O-N 3.16Å
841T85Confident85.8Confident65 Ų6578.8 Ų78.840%0.39938%0.376SS..Hα-helixtrans-68.9-36.8174.553.50000112.6K837 M838 E839 K844 E845K837-T841 WeakPolarHBondContact O-CG2 3.31Å; K837-T841 PolarHBondContact O-N 2.79Å; K837-T841 PolarHBondContact O-OG1 3.11Å; M838-T841 VanDerWaalsContact C-OG1 3.31Å; M838-T841 VanDerWaalsContact CA-OG1 3.28Å; M838-T841 WeakPolarHBondContact CA-OG1 3.49Å; M838-T841 PolarHBondContact O-N 3.19Å; M838-T841 PolarHBondContact O-OG1 3.05Å; E839-T841 VanDerWaalsContact C-N 3.33Å; E839-T841 PolarHBondContact O-N 2.87Å; T841-K844 PolarHBondContact O-N 3.25Å; T841-E845 WeakPolarHBondContact O-CG 3.49Å; T841-E845 PolarHBondContact O-N 3.45Å
842I89.6Confident85.9Confident18 Ų1878.6 Ų78.69%0.09238%0.378CS..Hα-helixtrans-61.1-49.2173.3-71.5173.9000109.9I315 V319 M838 E839 K844 E845 E846I315-I842 HydrophobicContact CB-CG1 4Å; I315-I842 HydrophobicContact CG2-CD1 3.88Å; I315-I842 HydrophobicContact CG2-CG1 3.36Å; V319-I842 HydrophobicContact CB-CD1 3.8Å; V319-I842 HydrophobicContact CG1-CD1 4.27Å; V319-I842 HydrophobicContact CG2-CD1 3.42Å; V319-I842 VanDerWaalsContact CG2-CD1 3.42Å; V319-I842 HydrophobicContact CG2-CG1 4.47Å; M838-I842 WeakPolarHBondContact O-CG1 3.46Å; M838-I842 PolarHBondContact O-N 3.42Å; E839-I842 PolarHBondContact O-N 3.35Å; I842-K844 VanDerWaalsContact C-N 3.26Å; I842-K844 PolarHBondContact O-N 2.9Å; I842-E845 PolarHBondContact O-N 2.7Å; I842-E845 VanDerWaalsContact O-N 3.08Å; I842-E846 HydrophobicContact CG2-CG 4.01Å; I842-E846 WeakPolarHBondContact CG2-OE1 3.25Å; I842-E846 WeakPolarHBondContact O-CB 3.47Å; I842-E846 WeakPolarHBondContact O-CG 3.49Å; I842-E846 PolarHBondContact O-N 3.08Å
843R87.8Confident86.1Confident159 Ų15979.9 Ų79.960%0.638%0.38SS*.Hα-helixtrans-57.3-40-180-74.6177.6177.8-177.6-0.2112.6E839 D840 Q847E839-R843 WeakPolarHBondContact O-CG 3.31Å; E839-R843 PolarHBondContact O-N 3.4Å; D840-R843 PolarHBondContact O-N 2.78Å; R843-Q847 WeakPolarHBondContact O-CB 3.13Å; R843-Q847 VanDerWaalsContact O-CG 3.3Å; R843-Q847 WeakPolarHBondContact O-CG 3.36Å; R843-Q847 PolarHBondContact O-N 3.49Å
844K87.2Confident86.4Confident141 Ų14178.7 Ų78.761%0.61338%0.377SS*.Hα-helixtrans-65.7-41.9176.1-72.7175.3-179.2-179.20112.3D840 T841 I842 Q847 A848D840-K844 WeakPolarHBondContact O-CG 3.26Å; D840-K844 PolarHBondContact O-N 2.97Å; D840-K844 VanDerWaalsContact O-N 3.16Å; T841-K844 PolarHBondContact O-N 3.25Å; I842-K844 VanDerWaalsContact C-N 3.26Å; I842-K844 PolarHBondContact O-N 2.9Å; K844-Q847 PolarHBondContact O-N 2.95Å; K844-A848 WeakPolarHBondContact O-CB 3.48Å; K844-A848 PolarHBondContact O-N 3.07Å
845E85.8Confident86.6Confident32 Ų3277.8 Ų77.815%0.1538%0.379CS..Hα-helixtrans-72-33.7177.8-67.3-70.5172.400112.2H308 K311 A312 I315 T841 I842 A848 T849H308-E845 IonicContact CE1-OE2 3.7Å; H308-E845 IonicContact ND1-OE2 2.98Å; H308-E845 PolarHBondContact ND1-OE2 3.39Å; K311-E845 WeakPolarHBondContact CE-OE1 3.45Å; K311-E845 IonicContact NZ-OE1 3.87Å; K311-E845 PolarHBondContact NZ-OE1 3.1Å; A312-E845 HydrophobicContact CB-CB 4.44Å; I315-E845 HydrophobicContact CD1-CG 4.44Å; T841-E845 WeakPolarHBondContact O-CG 3.49Å; T841-E845 PolarHBondContact O-N 3.45Å; I842-E845 PolarHBondContact O-N 2.7Å; I842-E845 VanDerWaalsContact O-N 3.08Å; E845-A848 PolarHBondContact O-N 3.27Å; E845-T849 WeakPolarHBondContact O-CB 3.39Å; E845-T849 PolarHBondContact O-N 3.27Å; E845-T849 PolarHBondContact O-OG1 3.18Å
846E86.3Confident86.7Confident104 Ų10477.9 Ų77.949%0.48638%0.379SS..Hα-helixtrans-64.8-42.8171.8-74.1176.6161.900111.2I842 T849 V850I842-E846 HydrophobicContact CG2-CG 4.01Å; I842-E846 WeakPolarHBondContact CG2-OE1 3.25Å; I842-E846 WeakPolarHBondContact O-CB 3.47Å; I842-E846 WeakPolarHBondContact O-CG 3.49Å; I842-E846 PolarHBondContact O-N 3.08Å; E846-T849 WeakPolarHBondContact O-CB 3.31Å; E846-T849 PolarHBondContact O-N 2.79Å; E846-V850 WeakPolarHBondContact O-CG2 3.23Å; E846-V850 PolarHBondContact O-N 3.11Å; E846-V850 VanDerWaalsContact O-N 3.07Å
847Q87.5Confident86.9Confident124 Ų12479.5 Ų79.558%0.57938%0.384SS*.Hα-helixtrans-61.7-47.7172.8-76.6174.3-16.500111.8R843 K844 T849 V850 E851R843-Q847 WeakPolarHBondContact O-CB 3.13Å; R843-Q847 VanDerWaalsContact O-CG 3.3Å; R843-Q847 WeakPolarHBondContact O-CG 3.36Å; R843-Q847 PolarHBondContact O-N 3.49Å; K844-Q847 PolarHBondContact O-N 2.95Å; Q847-T849 PolarHBondContact O-N 2.9Å; Q847-V850 PolarHBondContact O-N 2.67Å; Q847-E851 PolarHBondContact O-N 2.6Å
848A85.9Confident87.1Confident22 Ų2277.9 Ų77.918%0.18238%0.381CS..Hα-helixtrans-60.5-31.3175.700000112.6K844 E845 S852K844-A848 WeakPolarHBondContact O-CB 3.48Å; K844-A848 PolarHBondContact O-N 3.07Å; E845-A848 PolarHBondContact O-N 3.27Å; A848-S852 VanDerWaalsContact O-CB 3.25Å; A848-S852 WeakPolarHBondContact O-CB 3.46Å; A848-S852 PolarHBondContact O-N 2.96Å; A848-S852 PolarHBondContact O-OG 3.33Å
849T87.8Confident87.3Confident9 Ų975.9 Ų75.96%0.05537%0.372CS..Hα-helixtrans-67.8-40.9174.5-60.50000111.7H308 V309 E845 E846 Q847 R853H308-T849 WeakPolarHBondContact CB-OG1 3.35Å; V309-T849 HydrophobicContact CG2-CG2 3.5Å; E845-T849 WeakPolarHBondContact O-CB 3.39Å; E845-T849 PolarHBondContact O-N 3.27Å; E845-T849 PolarHBondContact O-OG1 3.18Å; E846-T849 WeakPolarHBondContact O-CB 3.31Å; E846-T849 PolarHBondContact O-N 2.79Å; Q847-T849 PolarHBondContact O-N 2.9Å; T849-R853 WeakPolarHBondContact O-CB 3.25Å; T849-R853 WeakPolarHBondContact O-CG 3.31Å; T849-R853 PolarHBondContact O-N 2.94Å
850V88.9Confident87.5Confident78 Ų7876.1 Ų76.147%0.47338%0.375SS..Hα-helixtrans-65.4-49.7176.5174.30000110.3E846 Q847 S852 R853 E854E846-V850 WeakPolarHBondContact O-CG2 3.23Å; E846-V850 PolarHBondContact O-N 3.11Å; E846-V850 VanDerWaalsContact O-N 3.07Å; Q847-V850 PolarHBondContact O-N 2.67Å; V850-S852 VanDerWaalsContact C-N 3.32Å; V850-S852 PolarHBondContact O-N 3.16Å; V850-R853 WeakPolarHBondContact O-CB 3.22Å; V850-R853 PolarHBondContact O-N 3.42Å; V850-R853 VanDerWaalsContact O-N 3.13Å; V850-E854 PolarHBondContact O-N 2.96Å
851E87.1Confident87.7Confident126 Ų12677.7 Ų77.759%0.58938%0.379SS*.Hα-helixtrans-58.7-42.9177.6-68174.9-178.500111.7Q847 R853 E854 V855Q847-E851 PolarHBondContact O-N 2.6Å; E851-R853 PolarHBondContact O-N 2.69Å; E851-E854 PolarHBondContact O-N 2.99Å; E851-V855 WeakPolarHBondContact O-CG2 3.44Å; E851-V855 PolarHBondContact O-N 3.01Å; E851-V855 VanDerWaalsContact O-N 3.16Å
852S83.8Confident87.8Confident25 Ų2577.4 Ų77.418%0.17538%0.378CS..Hα-helixtrans-66.2-36.1177.3-61.80000112.6T305 A848 V850 V855 E856T305-S852 PolarHBondContact OG1-O 3.32Å; A848-S852 VanDerWaalsContact O-CB 3.25Å; A848-S852 WeakPolarHBondContact O-CB 3.46Å; A848-S852 PolarHBondContact O-N 2.96Å; A848-S852 PolarHBondContact O-OG 3.33Å; V850-S852 VanDerWaalsContact C-N 3.32Å; V850-S852 PolarHBondContact O-N 3.16Å; S852-V855 PolarHBondContact O-N 3.43Å; S852-E856 WeakPolarHBondContact O-CB 3.48Å; S852-E856 PolarHBondContact O-N 3.06Å
853R87.5Confident87.8Confident125 Ų12577 Ų7747%0.47238%0.376SS..Hα-helixtrans-66.8-39.1174.9-86.6-179.8176.5153.90.6112.5T305 T849 V850 E851 V855 E856 N857T305-R853 HydrophobicContact CG2-CG 3.5Å; T305-R853 VanDerWaalsContact CG2-CG 3.5Å; T849-R853 WeakPolarHBondContact O-CB 3.25Å; T849-R853 WeakPolarHBondContact O-CG 3.31Å; T849-R853 PolarHBondContact O-N 2.94Å; V850-R853 WeakPolarHBondContact O-CB 3.22Å; V850-R853 PolarHBondContact O-N 3.42Å; V850-R853 VanDerWaalsContact O-N 3.13Å; E851-R853 PolarHBondContact O-N 2.69Å; R853-V855 VanDerWaalsContact C-N 3.34Å; R853-E856 PolarHBondContact O-N 3.39Å; R853-N857 WeakPolarHBondContact O-CB 3.34Å; R853-N857 PolarHBondContact O-N 2.94Å; R853-N857 PolarHBondContact O-ND2 3.48Å
854E89.4Confident87.9Confident116 Ų11674.6 Ų74.654%0.54237%0.371SS..Hα-helixtrans-62.1-44.2175.4-72178.3175.500111V850 E851 E856 N857 N858V850-E854 PolarHBondContact O-N 2.96Å; E851-E854 PolarHBondContact O-N 2.99Å; E854-E856 PolarHBondContact O-N 2.94Å; E854-N857 PolarHBondContact O-N 3.2Å; E854-N858 WeakPolarHBondContact O-CB 3.48Å; E854-N858 PolarHBondContact O-N 3.18Å; E854-N858 PolarHBondContact O-ND2 3.37Å
855V87.4Confident88.1Confident77 Ų7772.9 Ų72.947%0.46737%0.366SS..Hα-helixtrans-63.1-41.5174.6175.50000111.6A301 E851 S852 R853 L859A301-V855 HydrophobicContact CB-CG1 4.42Å; E851-V855 WeakPolarHBondContact O-CG2 3.44Å; E851-V855 PolarHBondContact O-N 3.01Å; E851-V855 VanDerWaalsContact O-N 3.16Å; S852-V855 PolarHBondContact O-N 3.43Å; R853-V855 VanDerWaalsContact C-N 3.34Å; V855-L859 HydrophobicContact CG1-CD1 3.92Å; V855-L859 WeakPolarHBondContact O-CB 3.36Å; V855-L859 VanDerWaalsContact O-CG 3.31Å; V855-L859 WeakPolarHBondContact O-CG 3.47Å; V855-L859 PolarHBondContact O-N 3.36Å
856E89.1Confident88.2Confident26 Ų2672.2 Ų72.212%0.12136%0.364CS..Hα-helixtrans-60.1-45.9175.5-179.4179.5173.500112Y298 A301 K302 T305 S852 R853 E854 L859 L860Y298-E856 HydrophobicContact CD2-CG 4.19Å; Y298-E856 HydrophobicContact CE2-CG 3.6Å; A301-E856 HydrophobicContact CB-CB 4.44Å; K302-E856 HydrophobicContact CB-CG 4.44Å; K302-E856 WeakPolarHBondContact CG-OE1 3.44Å; T305-E856 VanDerWaalsContact CB-OE2 3.23Å; T305-E856 WeakPolarHBondContact CB-OE2 3.43Å; T305-E856 WeakPolarHBondContact CG2-OE2 3.36Å; T305-E856 PolarHBondContact OG1-OE2 3.41Å; S852-E856 WeakPolarHBondContact O-CB 3.48Å; S852-E856 PolarHBondContact O-N 3.06Å; R853-E856 PolarHBondContact O-N 3.39Å; E854-E856 PolarHBondContact O-N 2.94Å; E856-L859 PolarHBondContact O-N 3.48Å; E856-L860 WeakPolarHBondContact O-CB 3.36Å; E856-L860 PolarHBondContact O-N 2.84Å
857N89.3Confident88.3Confident87 Ų8771 Ų7147%0.46536%0.358SS..Hα-helixtrans-66.5-45.3-179.8-72.8-19.2000111.9R853 E854 L859 L860 E861R853-N857 WeakPolarHBondContact O-CB 3.34Å; R853-N857 PolarHBondContact O-N 2.94Å; R853-N857 PolarHBondContact O-ND2 3.48Å; E854-N857 PolarHBondContact O-N 3.2Å; N857-L859 VanDerWaalsContact C-N 3.27Å; N857-L859 PolarHBondContact O-N 3.48Å; N857-L860 WeakPolarHBondContact O-CB 3.49Å; N857-L860 PolarHBondContact O-N 2.78Å; N857-L860 VanDerWaalsContact O-N 3.07Å; N857-E861 PolarHBondContact O-N 2.95Å
858N89.4Confident88.5Confident96 Ų9669.6 Ų69.651%0.51335%0.354SS..Hα-helixtrans-59-41.9176.1-69.1-21.6000111.1E854 E861 T862E854-N858 WeakPolarHBondContact O-CB 3.48Å; E854-N858 PolarHBondContact O-N 3.18Å; E854-N858 PolarHBondContact O-ND2 3.37Å; N858-E861 PolarHBondContact O-N 3.13Å; N858-T862 WeakPolarHBondContact O-CG2 3.29Å; N858-T862 PolarHBondContact O-N 2.99Å; N858-T862 VanDerWaalsContact O-N 3.14Å
859L87.3Confident88.6Confident34 Ų3473.3 Ų73.318%0.17837%0.367CS..Hα-helixtrans-68.7-34176.4-72.6169.9000112.3Q297 Y298 A301 V855 E856 N857 T862 V863Q297-L859 HydrophobicContact CB-CD1 4.41Å; Q297-L859 HydrophobicContact CB-CD2 4.3Å; Y298-L859 HydrophobicContact CD2-CB 4.31Å; A301-L859 HydrophobicContact CB-CD1 3.71Å; V855-L859 HydrophobicContact CG1-CD1 3.92Å; V855-L859 WeakPolarHBondContact O-CB 3.36Å; V855-L859 VanDerWaalsContact O-CG 3.31Å; V855-L859 WeakPolarHBondContact O-CG 3.47Å; V855-L859 PolarHBondContact O-N 3.36Å; E856-L859 PolarHBondContact O-N 3.48Å; N857-L859 VanDerWaalsContact C-N 3.27Å; N857-L859 PolarHBondContact O-N 3.48Å; L859-T862 WeakPolarHBondContact CA-OG1 3.41Å; L859-T862 PolarHBondContact O-N 3.35Å; L859-T862 PolarHBondContact O-OG1 2.71Å; L859-V863 VanDerWaalsContact O-CG2 3.31Å; L859-V863 WeakPolarHBondContact O-CG2 3.34Å; L859-V863 PolarHBondContact O-N 3.01Å
860L89.8Confident88.7Confident55 Ų5573.6 Ų73.629%0.28837%0.367SS..Hα-helixtrans-63.5-46.6174.6-175.963.2000111.4Y298 E856 N857 T862 V863 E864Y298-L860 HydrophobicContact CD2-CB 4.06Å; Y298-L860 HydrophobicContact CD2-CD1 4.42Å; Y298-L860 HydrophobicContact CE1-CD1 4.42Å; Y298-L860 HydrophobicContact CE2-CB 3.78Å; Y298-L860 HydrophobicContact CE2-CD1 3.88Å; Y298-L860 HydrophobicContact CE2-CG 4.3Å; E856-L860 WeakPolarHBondContact O-CB 3.36Å; E856-L860 PolarHBondContact O-N 2.84Å; N857-L860 WeakPolarHBondContact O-CB 3.49Å; N857-L860 PolarHBondContact O-N 2.78Å; N857-L860 VanDerWaalsContact O-N 3.07Å; L860-T862 VanDerWaalsContact C-N 3.32Å; L860-T862 PolarHBondContact O-N 3Å; L860-V863 WeakPolarHBondContact O-CB 3.14Å; L860-V863 PolarHBondContact O-N 3.26Å; L860-V863 VanDerWaalsContact O-N 3.09Å; L860-E864 PolarHBondContact O-N 2.92Å
861E90.3Very high88.8Confident113 Ų11374.6 Ų74.653%0.52837%0.37SS..Hα-helixtrans-57.4-45.6176-71.3178.1-179.800111.1N857 N858 V863 E864 E865N857-E861 PolarHBondContact O-N 2.95Å; N858-E861 PolarHBondContact O-N 3.13Å; E861-V863 VanDerWaalsContact C-N 3.3Å; E861-V863 PolarHBondContact O-N 2.91Å; E861-E864 PolarHBondContact O-N 3.35Å; E861-E865 WeakPolarHBondContact O-CG 3.26Å; E861-E865 PolarHBondContact O-N 3.43Å
862T87.6Confident89Confident59 Ų5974.5 Ų74.536%0.36237%0.369SS..Hα-helixtrans-62.9-34.6176.764.20000113.2N858 L859 L860 V866N858-T862 WeakPolarHBondContact O-CG2 3.29Å; N858-T862 PolarHBondContact O-N 2.99Å; N858-T862 VanDerWaalsContact O-N 3.14Å; L859-T862 WeakPolarHBondContact CA-OG1 3.41Å; L859-T862 PolarHBondContact O-N 3.35Å; L859-T862 PolarHBondContact O-OG1 2.71Å; L860-T862 VanDerWaalsContact C-N 3.32Å; L860-T862 PolarHBondContact O-N 3Å; T862-V866 VanDerWaalsContact O-CG2 3.25Å; T862-V866 WeakPolarHBondContact O-CG2 3.37Å; T862-V866 PolarHBondContact O-N 3Å; T862-V866 VanDerWaalsContact O-N 3.13Å
863V89.4Confident89.3Confident10 Ų1075.9 Ų75.96%0.06137%0.374CS..Hα-helixtrans-67.5-43.1176.1168.20000110.5L291 R295 L859 L860 E861 Q867L291-V863 HydrophobicContact CD1-CG1 4.08Å; R295-V863 HydrophobicContact CG-CG1 3.79Å; R295-V863 HydrophobicContact CG-CG2 4.15Å; L859-V863 VanDerWaalsContact O-CG2 3.31Å; L859-V863 WeakPolarHBondContact O-CG2 3.34Å; L859-V863 PolarHBondContact O-N 3.01Å; L860-V863 WeakPolarHBondContact O-CB 3.14Å; L860-V863 PolarHBondContact O-N 3.26Å; L860-V863 VanDerWaalsContact O-N 3.09Å; E861-V863 VanDerWaalsContact C-N 3.3Å; E861-V863 PolarHBondContact O-N 2.91Å; V863-Q867 WeakPolarHBondContact O-CB 3.43Å; V863-Q867 PolarHBondContact O-N 2.95Å
864E89.6Confident89.3Confident107 Ų10773.7 Ų73.750%0.537%0.368SS..Hα-helixtrans-65.7-43.5177.9-70.9-175.1175.600111.9L860 E861 V866 Q867 N868L860-E864 PolarHBondContact O-N 2.92Å; E861-E864 PolarHBondContact O-N 3.35Å; E864-V866 PolarHBondContact O-N 3.45Å; E864-Q867 PolarHBondContact O-N 3.03Å; E864-N868 WeakPolarHBondContact O-CB 3.48Å; E864-N868 VanDerWaalsContact O-CG 3.3Å; E864-N868 PolarHBondContact O-N 2.95Å; E864-N868 PolarHBondContact O-ND2 3.23Å
865E90.1Very high89.4Confident106 Ų10672.2 Ų72.250%0.49536%0.363SS..Hα-helixtrans-59.2-47.8175.8-75.7-173.3-175.800112.7E861 Q867 N868 K869E861-E865 WeakPolarHBondContact O-CG 3.26Å; E861-E865 PolarHBondContact O-N 3.43Å; E865-Q867 VanDerWaalsContact C-N 3.31Å; E865-Q867 PolarHBondContact O-N 3.03Å; E865-N868 PolarHBondContact O-N 3.28Å; E865-K869 WeakPolarHBondContact O-CG 3.48Å; E865-K869 PolarHBondContact O-N 2.86Å; E865-K869 IonicContact OE2-NZ 3.83Å
866V88.1Confident89.5Confident18 Ų1874 Ų7411%0.10937%0.367CS..Hα-helixtrans-66.2-37.8179.1175.10000110.4V290 L291 T862 E864 L870V290-V866 HydrophobicContact CG1-CG1 4.36Å; V290-V866 HydrophobicContact CG1-CG2 4.27Å; L291-V866 HydrophobicContact CB-CG1 3.83Å; L291-V866 HydrophobicContact CD1-CB 4.29Å; L291-V866 HydrophobicContact CD1-CG1 4.11Å; T862-V866 VanDerWaalsContact O-CG2 3.25Å; T862-V866 WeakPolarHBondContact O-CG2 3.37Å; T862-V866 PolarHBondContact O-N 3Å; T862-V866 VanDerWaalsContact O-N 3.13Å; E864-V866 PolarHBondContact O-N 3.45Å; V866-L870 WeakPolarHBondContact O-CB 3.45Å; V866-L870 PolarHBondContact O-N 3.14Å
867Q90.1Very high89.5Confident79 Ų7973.5 Ų73.537%0.36937%0.365SS..Hα-helixtrans-65.3-40.6177.3-176.3169.4-3500112.3L291 V863 E864 E865 L870 L871L291-Q867 HydrophobicContact CD1-CB 4.2Å; V863-Q867 WeakPolarHBondContact O-CB 3.43Å; V863-Q867 PolarHBondContact O-N 2.95Å; E864-Q867 PolarHBondContact O-N 3.03Å; E865-Q867 VanDerWaalsContact C-N 3.31Å; E865-Q867 PolarHBondContact O-N 3.03Å; Q867-L870 WeakPolarHBondContact O-CB 3.41Å; Q867-L870 PolarHBondContact O-N 3.13Å; Q867-L871 PolarHBondContact O-N 3.41Å; Q867-L871 VanDerWaalsContact O-N 3.12Å
868N90.8Very high89.5Confident93 Ų9374.8 Ų74.850%0.49737%0.371SS..Hα-helixtrans-66.2-46.7176.2-72-22.1000111.5E864 E865 L870 L871 E872E864-N868 WeakPolarHBondContact O-CB 3.48Å; E864-N868 VanDerWaalsContact O-CG 3.3Å; E864-N868 PolarHBondContact O-N 2.95Å; E864-N868 PolarHBondContact O-ND2 3.23Å; E865-N868 PolarHBondContact O-N 3.28Å; N868-L870 PolarHBondContact O-N 3.4Å; N868-L871 WeakPolarHBondContact O-CB 3.44Å; N868-L871 PolarHBondContact O-N 3.37Å; N868-E872 PolarHBondContact O-N 3.46Å
869K88.9Confident89.6Confident101 Ų10175.6 Ų75.644%0.43938%0.375SS..Hα-helixtrans-56.9-39.2173.8-72.7169.1-176.5162.20112E865 L871 M873E865-K869 WeakPolarHBondContact O-CG 3.48Å; E865-K869 PolarHBondContact O-N 2.86Å; E865-K869 IonicContact OE2-NZ 3.83Å; K869-L871 VanDerWaalsContact C-N 3.31Å; K869-L871 PolarHBondContact O-N 3.16Å; K869-M873 WeakPolarHBondContact O-CG 3.16Å; K869-M873 PolarHBondContact O-N 2.99Å
870L90Very high89.6Confident14 Ų1476.8 Ų76.87%0.07338%0.378CS..Hα-helixtrans-63.8-37.8176.7-155.7110.4000112.5Q287 E288 V866 Q867 N868 K874Q287-L870 HydrophobicContact CB-CD1 3.63Å; E288-L870 HydrophobicContact CB-CD1 4.34Å; E288-L870 HydrophobicContact CG-CD1 3.57Å; E288-L870 HydrophobicContact CG-CD2 4.1Å; E288-L870 HydrophobicContact CG-CG 4.36Å; V866-L870 WeakPolarHBondContact O-CB 3.45Å; V866-L870 PolarHBondContact O-N 3.14Å; Q867-L870 WeakPolarHBondContact O-CB 3.41Å; Q867-L870 PolarHBondContact O-N 3.13Å; N868-L870 PolarHBondContact O-N 3.4Å; L870-K874 HydrophobicContact CD2-CD 3.97Å; L870-K874 VanDerWaalsContact CD2-CE 3.44Å; L870-K874 VanDerWaalsContact CD2-NZ 3.28Å; L870-K874 WeakPolarHBondContact O-CB 3.45Å; L870-K874 VanDerWaalsContact O-CG 3.28Å; L870-K874 WeakPolarHBondContact O-CG 3.31Å; L870-K874 PolarHBondContact O-N 3.47Å
871L90.4Very high89.5Confident99 Ų9978.6 Ų78.652%0.51838%0.384SS..Hα-helixtrans-72.6-41.2-178.3-152.4150.2000110.7Q867 N868 K869 K874 N875Q867-L871 PolarHBondContact O-N 3.41Å; Q867-L871 VanDerWaalsContact O-N 3.12Å; N868-L871 WeakPolarHBondContact O-CB 3.44Å; N868-L871 PolarHBondContact O-N 3.37Å; K869-L871 VanDerWaalsContact C-N 3.31Å; K869-L871 PolarHBondContact O-N 3.16Å; L871-K874 PolarHBondContact O-N 2.83Å; L871-N875 PolarHBondContact O-N 3.08Å; L871-N875 PolarHBondContact O-ND2 3.48Å
872E90.9Very high89.4Confident124 Ų12476.5 Ų76.558%0.57938%0.382SS*.Hα-helixtrans-57.9-52.1171.1-70.9175175.900111.5N868 K874 N875 E876N868-E872 PolarHBondContact O-N 3.46Å; E872-K874 VanDerWaalsContact C-N 3.3Å; E872-K874 PolarHBondContact O-N 3.2Å; E872-N875 WeakPolarHBondContact O-CB 3.33Å; E872-N875 PolarHBondContact O-N 2.88Å; E872-N875 VanDerWaalsContact O-N 3.08Å; E872-E876 PolarHBondContact O-N 3.38Å
873M89Confident89.5Confident55 Ų5577.7 Ų77.727%0.27138%0.383SS..Hα-helixtrans-60.8-36.7178-73.3-176.8165.500112.9I284 Q287 K869 N875 E876 L877I284-M873 HydrophobicContact CD1-CB 4.27Å; I284-M873 HydrophobicContact CG1-CB 3.83Å; Q287-M873 HydrophobicContact CG-SD 4.08Å; K869-M873 WeakPolarHBondContact O-CG 3.16Å; K869-M873 PolarHBondContact O-N 2.99Å; M873-N875 VanDerWaalsContact C-N 3.34Å; M873-E876 PolarHBondContact O-N 3.03Å; M873-L877 WeakPolarHBondContact O-CB 3.49Å; M873-L877 PolarHBondContact O-N 3.49Å
874K88.8Confident89.5Confident79 Ų7978.4 Ų78.434%0.34339%0.387SS..Hα-helixtrans-66-36175.6-80.5178.5178.4179.10112.3I284 E288 L870 L871 E872 L878I284-K874 HydrophobicContact CD1-CG 4.22Å; I284-K874 HydrophobicContact CG2-CG 4.45Å; E288-K874 WeakPolarHBondContact OE1-CE 3.39Å; E288-K874 IonicContact OE1-NZ 2.83Å; E288-K874 PolarHBondContact OE1-NZ 2.83Å; L870-K874 HydrophobicContact CD2-CD 3.97Å; L870-K874 VanDerWaalsContact CD2-CE 3.44Å; L870-K874 VanDerWaalsContact CD2-NZ 3.28Å; L870-K874 WeakPolarHBondContact O-CB 3.45Å; L870-K874 VanDerWaalsContact O-CG 3.28Å; L870-K874 WeakPolarHBondContact O-CG 3.31Å; L870-K874 PolarHBondContact O-N 3.47Å; L871-K874 PolarHBondContact O-N 2.83Å; E872-K874 VanDerWaalsContact C-N 3.3Å; E872-K874 PolarHBondContact O-N 3.2Å; K874-L878 PolarHBondContact O-N 3.23Å; K874-L878 VanDerWaalsContact O-N 3.14Å
875N90.7Very high89.4Confident85 Ų8576.1 Ų76.146%0.45539%0.387SS..Hα-helixtrans-69-42174.6-71.1-23000111.7L871 E872 M873 L877 L878 L879L871-N875 PolarHBondContact O-N 3.08Å; L871-N875 PolarHBondContact O-ND2 3.48Å; E872-N875 WeakPolarHBondContact O-CB 3.33Å; E872-N875 PolarHBondContact O-N 2.88Å; E872-N875 VanDerWaalsContact O-N 3.08Å; M873-N875 VanDerWaalsContact C-N 3.34Å; N875-L877 VanDerWaalsContact C-N 3.34Å; N875-L877 PolarHBondContact O-N 2.91Å; N875-L878 WeakPolarHBondContact O-CB 3.28Å; N875-L878 PolarHBondContact O-N 3.32Å; N875-L879 PolarHBondContact O-N 2.98Å; N875-L879 VanDerWaalsContact O-N 3.09Å
876E89Confident89.4Confident114 Ų11474 Ų7453%0.53338%0.384SS..Hα-helixtrans-62.7-39.9174.3-69.5-173.1162.700112.4M280 E872 M873 L878 L879 K880M280-E876 HydrophobicContact SD-CB 4.36Å; E872-E876 PolarHBondContact O-N 3.38Å; M873-E876 PolarHBondContact O-N 3.03Å; E876-L878 VanDerWaalsContact C-N 3.32Å; E876-L878 PolarHBondContact O-N 2.73Å; E876-L879 PolarHBondContact O-N 3.41Å; E876-K880 WeakPolarHBondContact O-CG 3.38Å; E876-K880 PolarHBondContact O-N 3.37Å
877L90.1Very high89.5Confident15 Ų1573.9 Ų73.98%0.07938%0.383CS..Hα-helixtrans-59.9-42174.1-17872.9000111.9V277 M280 D281 I284 M873 N875 K880 K881V277-L877 HydrophobicContact CG1-CD1 3.93Å; M280-L877 HydrophobicContact CB-CD1 4.04Å; M280-L877 HydrophobicContact CE-CD1 4.11Å; D281-L877 VanDerWaalsContact OD1-CD2 3.24Å; D281-L877 WeakPolarHBondContact OD1-CD2 3.33Å; I284-L877 HydrophobicContact CD1-CB 3.98Å; I284-L877 HydrophobicContact CD1-CD2 3.69Å; I284-L877 HydrophobicContact CD1-CG 4.3Å; M873-L877 WeakPolarHBondContact O-CB 3.49Å; M873-L877 PolarHBondContact O-N 3.49Å; N875-L877 VanDerWaalsContact C-N 3.34Å; N875-L877 PolarHBondContact O-N 2.91Å; L877-K880 PolarHBondContact O-N 3.47Å; L877-K881 HydrophobicContact CG-CD 4.16Å; L877-K881 WeakPolarHBondContact O-CB 3.36Å; L877-K881 VanDerWaalsContact O-CG 3.3Å; L877-K881 WeakPolarHBondContact O-CG 3.34Å; L877-K881 PolarHBondContact O-N 2.9Å
878L89.6Confident89.4Confident115 Ų11575.5 Ų75.560%0.60239%0.389SS*.Hα-helixtrans-62.5-44.5176.3-88.2161.9000111.8K874 N875 E876 K881 S882K874-L878 PolarHBondContact O-N 3.23Å; K874-L878 VanDerWaalsContact O-N 3.14Å; N875-L878 WeakPolarHBondContact O-CB 3.28Å; N875-L878 PolarHBondContact O-N 3.32Å; E876-L878 VanDerWaalsContact C-N 3.32Å; E876-L878 PolarHBondContact O-N 2.73Å; L878-K881 PolarHBondContact O-N 3.4Å; L878-S882 PolarHBondContact O-N 3.49Å
879L90.4Very high89.2Confident112 Ų11274 Ų7459%0.58639%0.389SS*.Hα-helixtrans-61.9-42.7176-72168.8000111.9N875 E876 S882 Q883N875-L879 PolarHBondContact O-N 2.98Å; N875-L879 VanDerWaalsContact O-N 3.09Å; E876-L879 PolarHBondContact O-N 3.41Å; L879-S882 PolarHBondContact O-N 3.34Å; L879-S882 PolarHBondContact O-OG 3.39Å; L879-Q883 WeakPolarHBondContact O-CG 3.42Å; L879-Q883 PolarHBondContact O-N 3.18Å; L879-Q883 VanDerWaalsContact O-N 3.15Å
880K88.4Confident89.2Confident59 Ų5973.5 Ų73.526%0.25739%0.389SS..Hα-helixtrans-71.7-33.2178.5-71.6-84.1-175.11730112.4E276 V277 M280 E876 L877 Q883 V884E276-K880 IonicContact OE2-NZ 2.65Å; E276-K880 PolarHBondContact OE2-NZ 2.83Å; V277-K880 HydrophobicContact CG2-CB 3.91Å; M280-K880 HydrophobicContact CE-CB 3.44Å; M280-K880 VanDerWaalsContact CE-CB 3.44Å; M280-K880 HydrophobicContact CE-CD 4.38Å; M280-K880 HydrophobicContact CE-CG 3.43Å; M280-K880 VanDerWaalsContact CE-CG 3.43Å; M280-K880 HydrophobicContact SD-CG 4.42Å; E876-K880 WeakPolarHBondContact O-CG 3.38Å; E876-K880 PolarHBondContact O-N 3.37Å; L877-K880 PolarHBondContact O-N 3.47Å; K880-Q883 PolarHBondContact O-N 3.4Å; K880-V884 WeakPolarHBondContact O-CG2 3.16Å; K880-V884 PolarHBondContact O-N 2.95Å
881K87.1Confident89.1Confident93 Ų9373.9 Ų73.940%0.40439%0.391SS..Hα-helixtrans-64.4-37.8172.6-79.7177178.9171.80112.2V277 D281 L877 L878 V884 A885V277-K881 HydrophobicContact CG1-CG 4.04Å; V277-K881 HydrophobicContact CG2-CG 4.31Å; D281-K881 IonicContact OD1-NZ 3.73Å; D281-K881 IonicContact OD2-NZ 2.74Å; L877-K881 HydrophobicContact CG-CD 4.16Å; L877-K881 WeakPolarHBondContact O-CB 3.36Å; L877-K881 VanDerWaalsContact O-CG 3.3Å; L877-K881 WeakPolarHBondContact O-CG 3.34Å; L877-K881 PolarHBondContact O-N 2.9Å; L878-K881 PolarHBondContact O-N 3.4Å; K881-V884 PolarHBondContact O-N 2.88Å; K881-A885 PolarHBondContact O-N 3.06Å; K881-A885 VanDerWaalsContact O-N 3.09Å
882S88.8Confident88.8Confident69 Ų6973.6 Ų73.648%0.48339%0.39SS..Hα-helixtrans-68.2-38.6174.773.40000112.1L878 L879 A885 S886L878-S882 PolarHBondContact O-N 3.49Å; L879-S882 PolarHBondContact O-N 3.34Å; L879-S882 PolarHBondContact O-OG 3.39Å; S882-A885 WeakPolarHBondContact O-CB 3.33Å; S882-A885 PolarHBondContact O-N 3.29Å; S882-S886 PolarHBondContact O-N 3.16Å
883Q90.1Very high88.6Confident85 Ų8572.9 Ų72.940%0.39739%0.386SS..Hα-helixtrans-63.2-40.4172.9-70176.1-000112.6L273 L879 K880 A885 S886 V887L273-Q883 HydrophobicContact CD1-CB 4.44Å; L879-Q883 WeakPolarHBondContact O-CG 3.42Å; L879-Q883 PolarHBondContact O-N 3.18Å; L879-Q883 VanDerWaalsContact O-N 3.15Å; K880-Q883 PolarHBondContact O-N 3.4Å; Q883-A885 VanDerWaalsContact C-N 3.28Å; Q883-A885 PolarHBondContact O-N 3.39Å; Q883-S886 PolarHBondContact O-N 3.26Å; Q883-S886 PolarHBondContact O-OG 3.06Å; Q883-V887 WeakPolarHBondContact O-CG2 3.39Å; Q883-V887 PolarHBondContact O-N 3.5Å; Q883-V887 VanDerWaalsContact O-N 3.09Å
884V89.4Confident88.4Confident24 Ų2473.9 Ų73.915%0.14539%0.389CS..Hα-helixtrans-61.7-40173.3170.40000110.8L273 V277 K880 K881 K888L273-V884 HydrophobicContact CB-CG2 3.59Å; V277-V884 HydrophobicContact CG2-CG2 3.93Å; K880-V884 WeakPolarHBondContact O-CG2 3.16Å; K880-V884 PolarHBondContact O-N 2.95Å; K881-V884 PolarHBondContact O-N 2.88Å; V884-K888 WeakPolarHBondContact O-CB 3.33Å; V884-K888 PolarHBondContact O-N 3.45Å
885A87Confident88.2Confident60 Ų6072.1 Ų72.150%0.49639%0.385SS..Hα-helixtrans-66.2-40.8178.800000112.7K881 S882 Q883 K888 A889K881-A885 PolarHBondContact O-N 3.06Å; K881-A885 VanDerWaalsContact O-N 3.09Å; S882-A885 WeakPolarHBondContact O-CB 3.33Å; S882-A885 PolarHBondContact O-N 3.29Å; Q883-A885 VanDerWaalsContact C-N 3.28Å; Q883-A885 PolarHBondContact O-N 3.39Å; A885-K888 PolarHBondContact O-N 2.96Å; A885-A889 PolarHBondContact O-N 2.97Å
886S89.8Confident87.8Confident60 Ų6073.3 Ų73.342%0.4239%0.388SS..Hα-helixtrans-66.5-48.9177.366.30000111.9S882 Q883 K888 A889 E890S882-S886 PolarHBondContact O-N 3.16Å; Q883-S886 PolarHBondContact O-N 3.26Å; Q883-S886 PolarHBondContact O-OG 3.06Å; S886-K888 PolarHBondContact O-N 3.47Å; S886-A889 WeakPolarHBondContact O-CB 3.34Å; S886-A889 PolarHBondContact O-N 2.8Å; S886-E890 PolarHBondContact O-N 2.89Å
887V89.9Confident87.4Confident17 Ų1773.2 Ų73.210%0.10339%0.386CS..Hα-helixtrans-63.5-33.4178.3176.70000111.1E269 H270 L273 Q883 L891E269-V887 HydrophobicContact CB-CG1 4.49Å; E269-V887 HydrophobicContact CG-CG1 4.4Å; H270-V887 HydrophobicContact CB-CG1 4.06Å; L273-V887 HydrophobicContact CD1-CB 4.46Å; L273-V887 HydrophobicContact CD1-CG2 3.88Å; Q883-V887 WeakPolarHBondContact O-CG2 3.39Å; Q883-V887 PolarHBondContact O-N 3.5Å; Q883-V887 VanDerWaalsContact O-N 3.09Å; V887-L891 VanDerWaalsContact O-CB 3.26Å; V887-L891 WeakPolarHBondContact O-CB 3.45Å; V887-L891 PolarHBondContact O-N 3.07Å
888K87.7Confident87.2Confident112 Ų11273.8 Ų73.849%0.48739%0.389SS..Hα-helixtrans-65.9-39.3172.9-173.1174.7-179.9179.30112.3V884 A885 S886 L891 N892V884-K888 WeakPolarHBondContact O-CB 3.33Å; V884-K888 PolarHBondContact O-N 3.45Å; A885-K888 PolarHBondContact O-N 2.96Å; S886-K888 PolarHBondContact O-N 3.47Å; K888-L891 PolarHBondContact O-N 3.07Å; K888-N892 WeakPolarHBondContact O-CB 3.41Å; K888-N892 PolarHBondContact O-N 2.6Å; K888-N892 PolarHBondContact O-ND2 2.92Å
889A87.1Confident86.7Confident61 Ų6173 Ų7350%0.50438%0.382SS..Hα-helixtrans-64.7-44.317600000111.5A885 S886 N892 Q893A885-A889 PolarHBondContact O-N 2.97Å; S886-A889 WeakPolarHBondContact O-CB 3.34Å; S886-A889 PolarHBondContact O-N 2.8Å; A889-N892 PolarHBondContact O-N 3.37Å; A889-Q893 PolarHBondContact O-N 2.72Å
890E88.5Confident86.3Confident92 Ų9271.9 Ų71.943%0.4337%0.374SS..Hα-helixtrans-62.7-43.8174.8-69178.9-174.400112.2H266 S886 N892 Q893 K894H266-E890 IonicContact CE1-OE2 3.67Å; H266-E890 IonicContact ND1-OE2 3.97Å; S886-E890 PolarHBondContact O-N 2.89Å; E890-N892 VanDerWaalsContact C-N 3.31Å; E890-N892 PolarHBondContact O-N 2.93Å; E890-Q893 PolarHBondContact O-N 3.08Å; E890-K894 WeakPolarHBondContact O-CG 3.42Å; E890-K894 PolarHBondContact O-N 3.44Å
891L88.3Confident86Confident21 Ų2170.6 Ų70.611%0.1137%0.371CS..Hα-helixtrans-58.9-43175.6178.862.2000111.3V263 H266 K267 H270 V887 K888 K894 T895V263-L891 HydrophobicContact CG1-CD1 4.06Å; H266-L891 HydrophobicContact CB-CB 4.41Å; H266-L891 HydrophobicContact CB-CD1 3.9Å; K267-L891 HydrophobicContact CB-CD1 4.15Å; K267-L891 HydrophobicContact CB-CD2 4.47Å; H270-L891 HydrophobicContact CB-CD2 4.26Å; V887-L891 VanDerWaalsContact O-CB 3.26Å; V887-L891 WeakPolarHBondContact O-CB 3.45Å; V887-L891 PolarHBondContact O-N 3.07Å; K888-L891 PolarHBondContact O-N 3.07Å; L891-K894 PolarHBondContact O-N 3.24Å; L891-T895 VanDerWaalsContact O-CB 3.27Å; L891-T895 WeakPolarHBondContact O-CB 3.3Å; L891-T895 PolarHBondContact O-N 3.24Å; L891-T895 PolarHBondContact O-OG1 2.95Å
892N83.5Confident85.8Confident93 Ų9369.3 Ų69.350%0.49737%0.368SS..Hα-helixtrans-62.9-43.4176.9-71.4-17.7000111.6K888 A889 E890 T895 Q896K888-N892 WeakPolarHBondContact O-CB 3.41Å; K888-N892 PolarHBondContact O-N 2.6Å; K888-N892 PolarHBondContact O-ND2 2.92Å; A889-N892 PolarHBondContact O-N 3.37Å; E890-N892 VanDerWaalsContact C-N 3.31Å; E890-N892 PolarHBondContact O-N 2.93Å; N892-T895 PolarHBondContact O-N 3.3Å; N892-Q896 WeakPolarHBondContact O-CB 3.26Å; N892-Q896 PolarHBondContact O-N 3.4Å
893Q86.4Confident85.3Confident109 Ų10971.3 Ų71.351%0.50937%0.368SS..Hα-helixtrans-63.4-43.5178.4-167.4-173.423.800112.1A889 E890 Q896 K897A889-Q893 PolarHBondContact O-N 2.72Å; E890-Q893 PolarHBondContact O-N 3.08Å; Q893-Q896 PolarHBondContact O-N 2.9Å; Q893-K897 PolarHBondContact O-N 2.88Å; Q893-K897 VanDerWaalsContact O-N 3.12Å
894K86.5Confident84.8Confident77 Ų7772 Ų7234%0.33537%0.371SS..Hα-helixtrans-68.4-36.9176.9-66.5-70-175.2167.90112.1V263 E890 L891 Q896 K897 L898V263-K894 HydrophobicContact CG2-CB 4.04Å; E890-K894 WeakPolarHBondContact O-CG 3.42Å; E890-K894 PolarHBondContact O-N 3.44Å; L891-K894 PolarHBondContact O-N 3.24Å; K894-Q896 VanDerWaalsContact C-N 3.32Å; K894-K897 PolarHBondContact O-N 3.3Å; K894-L898 WeakPolarHBondContact O-CB 3.47Å; K894-L898 PolarHBondContact O-N 3.46Å
895T83Confident84.4Confident41 Ų4170.9 Ų70.925%0.25237%0.365SS..Hα-helixtrans-65.3-36.8174.3-54.60000111.3L891 N892 L898 Q899L891-T895 VanDerWaalsContact O-CB 3.27Å; L891-T895 WeakPolarHBondContact O-CB 3.3Å; L891-T895 PolarHBondContact O-N 3.24Å; L891-T895 PolarHBondContact O-OG1 2.95Å; N892-T895 PolarHBondContact O-N 3.3Å; T895-L898 PolarHBondContact O-N 2.91Å; T895-Q899 VanDerWaalsContact O-CG 3.28Å; T895-Q899 WeakPolarHBondContact O-CG 2.84Å; T895-Q899 PolarHBondContact O-N 3.22Å
896Q82.5Confident83.9Confident111 Ų11170 Ų7052%0.51935%0.353SS..Hα-helixtrans-66-45.1175.6-172.9177.4-7.400111.9N892 Q893 K894 L898 Q899 E900N892-Q896 WeakPolarHBondContact O-CB 3.26Å; N892-Q896 PolarHBondContact O-N 3.4Å; Q893-Q896 PolarHBondContact O-N 2.9Å; K894-Q896 VanDerWaalsContact C-N 3.32Å; Q896-L898 VanDerWaalsContact C-N 3.34Å; Q896-L898 PolarHBondContact O-N 3.13Å; Q896-Q899 WeakPolarHBondContact O-CB 3.37Å; Q896-Q899 PolarHBondContact O-N 3.49Å; Q896-Q899 VanDerWaalsContact O-N 3.12Å; Q896-E900 WeakPolarHBondContact O-CG 3.08Å; Q896-E900 PolarHBondContact O-N 3.38Å
897K82.3Confident83.4Confident112 Ų11272.9 Ų72.949%0.48736%0.358SS..Hα-helixtrans-60.5-42.3174.5-71.3-175.6177.6-171.40112.2Q893 K894 Q899 E900 T901Q893-K897 PolarHBondContact O-N 2.88Å; Q893-K897 VanDerWaalsContact O-N 3.12Å; K894-K897 PolarHBondContact O-N 3.3Å; K897-Q899 VanDerWaalsContact C-N 3.31Å; K897-Q899 PolarHBondContact O-N 3Å; K897-E900 PolarHBondContact O-N 3.44Å; K897-T901 PolarHBondContact O-N 3.48Å; K897-T901 VanDerWaalsContact O-N 3.08Å; K897-T901 PolarHBondContact O-OG1 3.16Å
898L85.2Confident82.9Confident27 Ų2773.5 Ų73.514%0.14136%0.361CS..Hα-helixtrans-60.4-40.4173.6179.871.7000111.9L256 A259 E260 V263 K894 T895 Q896 E900 T901 N902L256-L898 HydrophobicContact CD1-CD1 3.49Å; L256-L898 VanDerWaalsContact CD1-CD1 3.49Å; L256-L898 HydrophobicContact CD1-CG 4.39Å; L256-L898 HydrophobicContact CG-CD1 4.38Å; A259-L898 HydrophobicContact CB-CB 4.45Å; A259-L898 HydrophobicContact CB-CD1 3.65Å; E260-L898 HydrophobicContact CB-CD1 4.28Å; E260-L898 HydrophobicContact CG-CD1 3.41Å; E260-L898 VanDerWaalsContact CG-CD1 3.41Å; E260-L898 HydrophobicContact CG-CD2 4.15Å; E260-L898 HydrophobicContact CG-CG 4.4Å; V263-L898 HydrophobicContact CB-CD2 4.39Å; V263-L898 HydrophobicContact CG2-CB 4.12Å; V263-L898 HydrophobicContact CG2-CD2 3.95Å; K894-L898 WeakPolarHBondContact O-CB 3.47Å; K894-L898 PolarHBondContact O-N 3.46Å; T895-L898 PolarHBondContact O-N 2.91Å; Q896-L898 VanDerWaalsContact C-N 3.34Å; Q896-L898 PolarHBondContact O-N 3.13Å; L898-E900 VanDerWaalsContact C-N 3.32Å; L898-T901 PolarHBondContact O-OG1 3.12Å; L898-N902 WeakPolarHBondContact O-CB 3.29Å; L898-N902 PolarHBondContact O-N 3.02Å
899Q79.3Confident82.3Confident99 Ų9971.3 Ų71.346%0.46335%0.352SS..Hα-helixtrans-67.5-32.4176.8-76175.21.400112.6T895 Q896 K897 K903T895-Q899 VanDerWaalsContact O-CG 3.28Å; T895-Q899 WeakPolarHBondContact O-CG 2.84Å; T895-Q899 PolarHBondContact O-N 3.22Å; Q896-Q899 WeakPolarHBondContact O-CB 3.37Å; Q896-Q899 PolarHBondContact O-N 3.49Å; Q896-Q899 VanDerWaalsContact O-N 3.12Å; K897-Q899 VanDerWaalsContact C-N 3.31Å; K897-Q899 PolarHBondContact O-N 3Å; Q899-K903 WeakPolarHBondContact O-CB 3.45Å; Q899-K903 VanDerWaalsContact O-CD 3.3Å; Q899-K903 WeakPolarHBondContact O-CD 3.42Å; Q899-K903 WeakPolarHBondContact O-CG 3.43Å; Q899-K903 PolarHBondContact O-N 3.18Å
900E82.4Confident81.7Confident87 Ų8775.2 Ų75.241%0.40735%0.354SS..Hα-helixtrans-69.8-50.9176.7-74.2165.8-173.600111.2Q896 K897 L898 N902 K903 E904Q896-E900 WeakPolarHBondContact O-CG 3.08Å; Q896-E900 PolarHBondContact O-N 3.38Å; K897-E900 PolarHBondContact O-N 3.44Å; L898-E900 VanDerWaalsContact C-N 3.32Å; E900-N902 VanDerWaalsContact C-N 3.33Å; E900-N902 PolarHBondContact O-N 2.98Å; E900-K903 WeakPolarHBondContact O-CB 3.36Å; E900-K903 PolarHBondContact O-N 3.03Å; E900-K903 VanDerWaalsContact O-N 3.11Å; E900-E904 PolarHBondContact O-N 2.92Å; E900-E904 VanDerWaalsContact O-N 3.12Å
901T82.1Confident81.2Confident32 Ų3273.9 Ų73.920%0.19635%0.348CS..Hα-helixtrans-63.7-38.3176.755.70000112L256 K897 L898 K903 E904 L905L256-T901 WeakPolarHBondContact CD1-OG1 3.17Å; K897-T901 PolarHBondContact O-N 3.48Å; K897-T901 VanDerWaalsContact O-N 3.08Å; K897-T901 PolarHBondContact O-OG1 3.16Å; L898-T901 PolarHBondContact O-OG1 3.12Å; T901-K903 VanDerWaalsContact C-N 3.34Å; T901-K903 PolarHBondContact O-N 2.75Å; T901-E904 PolarHBondContact O-N 3.4Å; T901-L905 WeakPolarHBondContact O-CB 3.39Å; T901-L905 PolarHBondContact O-N 3Å
902N81.1Confident80.7Confident66 Ų6673.4 Ų73.435%0.35335%0.346SS..Hα-helixtrans-66.1-34.3174.3-167.122.2000112.3L256 L898 E900 E904 T906L256-N902 HydrophobicContact CD1-CB 3.7Å; L256-N902 HydrophobicContact CD2-CB 4.47Å; L898-N902 WeakPolarHBondContact O-CB 3.29Å; L898-N902 PolarHBondContact O-N 3.02Å; E900-N902 VanDerWaalsContact C-N 3.33Å; E900-N902 PolarHBondContact O-N 2.98Å; N902-E904 VanDerWaalsContact C-N 3.34Å; N902-T906 VanDerWaalsContact O-CB 3.29Å; N902-T906 WeakPolarHBondContact O-CB 3.49Å; N902-T906 VanDerWaalsContact O-CG2 3.24Å; N902-T906 WeakPolarHBondContact O-CG2 3.47Å; N902-T906 PolarHBondContact O-N 3.43Å; N902-T906 PolarHBondContact O-OG1 3.05Å
903K79.3Confident80.3Confident111 Ų11173.7 Ų73.748%0.48335%0.346SS..Hα-helixtrans-66.4-37.3175.2-80.4165.6-170.5172.20112Q899 E900 T901 T906 K907Q899-K903 WeakPolarHBondContact O-CB 3.45Å; Q899-K903 VanDerWaalsContact O-CD 3.3Å; Q899-K903 WeakPolarHBondContact O-CD 3.42Å; Q899-K903 WeakPolarHBondContact O-CG 3.43Å; Q899-K903 PolarHBondContact O-N 3.18Å; E900-K903 WeakPolarHBondContact O-CB 3.36Å; E900-K903 PolarHBondContact O-N 3.03Å; E900-K903 VanDerWaalsContact O-N 3.11Å; T901-K903 VanDerWaalsContact C-N 3.34Å; T901-K903 PolarHBondContact O-N 2.75Å; K903-T906 WeakPolarHBondContact CA-OG1 3.5Å; K903-T906 PolarHBondContact O-OG1 3.07Å; K903-T906 VanDerWaalsContact O-OG1 3.07Å; K903-K907 WeakPolarHBondContact O-CB 3.25Å; K903-K907 PolarHBondContact O-N 3.46Å; K903-K907 VanDerWaalsContact O-N 3.07Å
904E78.9Confident79.7Confident99 Ų9971.1 Ų71.146%0.46334%0.34SS..Hα-helixtrans-72.3-46177.7-70.2178.3-177.500111.3M252 E900 T901 N902 K907 L908M252-E904 HydrophobicContact CE-CB 4.31Å; M252-E904 HydrophobicContact SD-CB 4.45Å; E900-E904 PolarHBondContact O-N 2.92Å; E900-E904 VanDerWaalsContact O-N 3.12Å; T901-E904 PolarHBondContact O-N 3.4Å; N902-E904 VanDerWaalsContact C-N 3.34Å; E904-K907 WeakPolarHBondContact O-CB 3.5Å; E904-K907 PolarHBondContact O-N 2.93Å; E904-K907 VanDerWaalsContact O-N 3.12Å; E904-L908 PolarHBondContact O-N 3.03Å
905L80.9Confident79.1Confident2 Ų267.8 Ų67.81%0.0133%0.326CS..Hα-helixtrans-59.9-48.3173.8-177.765.7000111.8A249 M252 N253 L256 T901 K907 L908 Q909A249-L905 WeakPolarHBondContact O-CD1 3.49Å; M252-L905 HydrophobicContact CB-CD1 3.87Å; M252-L905 HydrophobicContact CG-CB 3.88Å; M252-L905 HydrophobicContact CG-CD1 4.04Å; N253-L905 HydrophobicContact CB-CD1 3.94Å; N253-L905 HydrophobicContact CB-CD2 4.08Å; N253-L905 WeakPolarHBondContact OD1-CD2 3.48Å; L256-L905 HydrophobicContact CB-CD2 4.29Å; L256-L905 HydrophobicContact CD2-CD2 3.46Å; L256-L905 VanDerWaalsContact CD2-CD2 3.46Å; L256-L905 HydrophobicContact CG-CD2 4.48Å; T901-L905 WeakPolarHBondContact O-CB 3.39Å; T901-L905 PolarHBondContact O-N 3Å; L905-K907 PolarHBondContact O-N 3.31Å; L905-L908 PolarHBondContact O-N 3.1Å; L905-Q909 HydrophobicContact CD1-CG 4.13Å; L905-Q909 HydrophobicContact CG-CG 4.18Å; L905-Q909 WeakPolarHBondContact O-CB 3.33Å; L905-Q909 WeakPolarHBondContact O-CG 3.26Å; L905-Q909 PolarHBondContact O-N 3.44Å
906T76.6Confident78.8Confident41 Ų4169 Ų6925%0.25233%0.329SS..Hα-helixtrans-64.2-25.9177.351.20000112.3N902 K903 R910N902-T906 VanDerWaalsContact O-CB 3.29Å; N902-T906 WeakPolarHBondContact O-CB 3.49Å; N902-T906 VanDerWaalsContact O-CG2 3.24Å; N902-T906 WeakPolarHBondContact O-CG2 3.47Å; N902-T906 PolarHBondContact O-N 3.43Å; N902-T906 PolarHBondContact O-OG1 3.05Å; K903-T906 WeakPolarHBondContact CA-OG1 3.5Å; K903-T906 PolarHBondContact O-OG1 3.07Å; K903-T906 VanDerWaalsContact O-OG1 3.07Å; T906-R910 WeakPolarHBondContact O-CB 3.32Å; T906-R910 WeakPolarHBondContact O-CG 3.44Å; T906-R910 PolarHBondContact O-N 2.67Å; T906-R910 PolarHBondContact O-NE 3.22Å; T906-R910 PolarHBondContact OG1-NH2 2.85Å
907K79.5Confident78.2Confident120 Ų12066.6 Ų66.652%0.52232%0.322SS..Hα-helixtrans-70.3-49.8173.6-173.8-171.3175.5-160.20110.4K903 E904 L905 R910 E911K903-K907 WeakPolarHBondContact O-CB 3.25Å; K903-K907 PolarHBondContact O-N 3.46Å; K903-K907 VanDerWaalsContact O-N 3.07Å; E904-K907 WeakPolarHBondContact O-CB 3.5Å; E904-K907 PolarHBondContact O-N 2.93Å; E904-K907 VanDerWaalsContact O-N 3.12Å; L905-K907 PolarHBondContact O-N 3.31Å; K907-R910 WeakPolarHBondContact O-CB 3.39Å; K907-R910 PolarHBondContact O-N 3.36Å; K907-E911 VanDerWaalsContact CE-OE1 3.24Å; K907-E911 WeakPolarHBondContact CE-OE1 3.3Å; K907-E911 IonicContact NZ-OE1 3.97Å; K907-E911 WeakPolarHBondContact O-CG 3.24Å; K907-E911 PolarHBondContact O-N 3.25Å
908L79.4Confident77.8Confident30 Ų3062.6 Ų62.616%0.15731%0.31CS..Hα-helixtrans-62.2-44.4176.4-87.2144.1000112.3I248 A249 M252 E904 L905 R910 E911 V912I248-L908 HydrophobicContact CB-CD2 3.86Å; I248-L908 HydrophobicContact CG2-CD1 4.28Å; I248-L908 HydrophobicContact CG2-CD2 3.47Å; I248-L908 VanDerWaalsContact CG2-CD2 3.47Å; A249-L908 HydrophobicContact CB-CB 4.32Å; M252-L908 HydrophobicContact CE-CD1 4.4Å; E904-L908 PolarHBondContact O-N 3.03Å; L905-L908 PolarHBondContact O-N 3.1Å; L908-R910 VanDerWaalsContact C-N 3.33Å; L908-R910 PolarHBondContact O-N 2.93Å; L908-E911 PolarHBondContact O-N 2.97Å; L908-E911 VanDerWaalsContact O-N 3.12Å; L908-V912 WeakPolarHBondContact O-CG2 3.38Å; L908-V912 PolarHBondContact O-N 3.02Å
909Q76.3Confident77.5Confident67 Ų6761.9 Ų61.931%0.31331%0.306SS..Hα-helixtrans-63.1-38.3173.4-73.9175.6-22.800111.6L905 E911 V912 M913L905-Q909 HydrophobicContact CD1-CG 4.13Å; L905-Q909 HydrophobicContact CG-CG 4.18Å; L905-Q909 WeakPolarHBondContact O-CB 3.33Å; L905-Q909 WeakPolarHBondContact O-CG 3.26Å; L905-Q909 PolarHBondContact O-N 3.44Å; Q909-E911 VanDerWaalsContact C-N 3.32Å; Q909-E911 PolarHBondContact O-N 3.45Å; Q909-V912 PolarHBondContact O-N 3.39Å; Q909-M913 WeakPolarHBondContact O-CB 3.35Å; Q909-M913 WeakPolarHBondContact O-CG 3.48Å; Q909-M913 PolarHBondContact O-N 3.37Å
910R74.3Confident77.2Confident142 Ų14259.7 Ų59.754%0.53630%0.296SS..Hα-helixtrans-64.6-35.9171.7-84.3176.2-78.3150.9-6.5112.3T906 K907 L908 M913 S914T906-R910 WeakPolarHBondContact O-CB 3.32Å; T906-R910 WeakPolarHBondContact O-CG 3.44Å; T906-R910 PolarHBondContact O-N 2.67Å; T906-R910 PolarHBondContact O-NE 3.22Å; T906-R910 PolarHBondContact OG1-NH2 2.85Å; K907-R910 WeakPolarHBondContact O-CB 3.39Å; K907-R910 PolarHBondContact O-N 3.36Å; L908-R910 VanDerWaalsContact C-N 3.33Å; L908-R910 PolarHBondContact O-N 2.93Å; R910-M913 HydrophobicContact CG-CE 4.15Å; R910-S914 WeakPolarHBondContact O-CA 3.35Å; R910-S914 WeakPolarHBondContact O-CB 3.42Å; R910-S914 PolarHBondContact O-N 3.26Å; R910-S914 PolarHBondContact O-OG 3.29Å
911E76.9Confident76.6Confident64 Ų6460.1 Ų60.130%0.29930%0.298SS..Hα-helixtrans-71.6-36.2177.4-73.5173.2-16300112.5R245 K907 L908 Q909 S914 A915R245-E911 PolarHBondContact NH1-O 2.91Å; K907-E911 VanDerWaalsContact CE-OE1 3.24Å; K907-E911 WeakPolarHBondContact CE-OE1 3.3Å; K907-E911 IonicContact NZ-OE1 3.97Å; K907-E911 WeakPolarHBondContact O-CG 3.24Å; K907-E911 PolarHBondContact O-N 3.25Å; L908-E911 PolarHBondContact O-N 2.97Å; L908-E911 VanDerWaalsContact O-N 3.12Å; Q909-E911 VanDerWaalsContact C-N 3.32Å; Q909-E911 PolarHBondContact O-N 3.45Å; E911-S914 WeakPolarHBondContact CA-OG 3.25Å; E911-S914 PolarHBondContact O-OG 3.48Å; E911-A915 PolarHBondContact O-N 3.02Å
912V78.6Confident76.2Confident12 Ų1262.7 Ų62.77%0.07331%0.306CS..Hα-helixtrans-67.6-54.9171.51720000110.2L242 R245 K246 A249 L908 Q909 S914 A915 E916L242-V912 HydrophobicContact CD1-CG1 4.13Å; L242-V912 WeakPolarHBondContact CD1-O 3.49Å; R245-V912 HydrophobicContact CB-CG2 3.56Å; R245-V912 VanDerWaalsContact O-CG2 3.22Å; R245-V912 WeakPolarHBondContact O-CG2 2.98Å; K246-V912 HydrophobicContact CG-CG1 3.66Å; K246-V912 HydrophobicContact CG-CG2 4.45Å; A249-V912 HydrophobicContact CB-CG2 4.24Å; L908-V912 WeakPolarHBondContact O-CG2 3.38Å; L908-V912 PolarHBondContact O-N 3.02Å; Q909-V912 PolarHBondContact O-N 3.39Å; V912-S914 PolarHBondContact O-N 3.01Å; V912-A915 PolarHBondContact O-N 2.84Å; V912-E916 PolarHBondContact O-N 3.45Å
913M74.2Confident76Confident99 Ų9963.6 Ų63.649%0.48831%0.305SS..Hα-helixtrans-58.8-34.6176.2-71.2-174-53.900111Q909 R910 A915 E916 T917Q909-M913 WeakPolarHBondContact O-CB 3.35Å; Q909-M913 WeakPolarHBondContact O-CG 3.48Å; Q909-M913 PolarHBondContact O-N 3.37Å; R910-M913 HydrophobicContact CG-CE 4.15Å; M913-A915 VanDerWaalsContact C-N 3.33Å; M913-A915 PolarHBondContact O-N 3.1Å; M913-E916 PolarHBondContact O-N 3.32Å; M913-T917 WeakPolarHBondContact O-CA 3.39Å; M913-T917 WeakPolarHBondContact O-CB 3.33Å; M913-T917 WeakPolarHBondContact O-CG2 3.37Å; M913-T917 PolarHBondContact O-N 3.31Å; M913-T917 PolarHBondContact O-OG1 3.49Å
914S73.8Confident75.6Confident55 Ų5558.6 Ų58.639%0.38528%0.283SS..Hα-helixtrans-67.3-33.9176.6700000112.7R910 E911 V912 T917 A918R910-S914 WeakPolarHBondContact O-CA 3.35Å; R910-S914 WeakPolarHBondContact O-CB 3.42Å; R910-S914 PolarHBondContact O-N 3.26Å; R910-S914 PolarHBondContact O-OG 3.29Å; E911-S914 WeakPolarHBondContact CA-OG 3.25Å; E911-S914 PolarHBondContact O-OG 3.48Å; V912-S914 PolarHBondContact O-N 3.01Å; S914-T917 WeakPolarHBondContact CA-OG1 3.45Å; S914-T917 PolarHBondContact O-OG1 2.92Å; S914-A918 WeakPolarHBondContact O-CB 3.47Å; S914-A918 PolarHBondContact O-N 2.94Å
915A75.6Confident75.3Confident7 Ų755.2 Ų55.26%0.05827%0.272CS..Hα-helixtrans-80.6-36.4177.300000111.3I238 L242 E911 V912 M913 A918 L919I238-A915 WeakPolarHBondContact CG2-O 3.33Å; L242-A915 HydrophobicContact CB-CB 4.09Å; L242-A915 HydrophobicContact CD1-CB 3.81Å; E911-A915 PolarHBondContact O-N 3.02Å; V912-A915 PolarHBondContact O-N 2.84Å; M913-A915 VanDerWaalsContact C-N 3.33Å; M913-A915 PolarHBondContact O-N 3.1Å; A915-A918 PolarHBondContact O-N 3.35Å; A915-L919 WeakPolarHBondContact O-CB 3.44Å; A915-L919 PolarHBondContact O-N 2.91Å
916E75.3Confident75Confident66 Ų6656.5 Ų56.531%0.30828%0.277SS..Hα-helixtrans-62.7-52.3171.4-98.1164.2164.800110.8L242 K246 V912 M913 A918 L919 E920L242-E916 HydrophobicContact CD1-CB 4.2Å; L242-E916 HydrophobicContact CD1-CG 3.55Å; L242-E916 HydrophobicContact CD2-CB 4.34Å; L242-E916 HydrophobicContact CD2-CG 3.45Å; L242-E916 VanDerWaalsContact CD2-CG 3.45Å; L242-E916 HydrophobicContact CG-CG 4.07Å; K246-E916 WeakPolarHBondContact CE-OE1 3.32Å; K246-E916 IonicContact NZ-OE1 3.05Å; K246-E916 PolarHBondContact NZ-OE1 3.17Å; V912-E916 PolarHBondContact O-N 3.45Å; M913-E916 PolarHBondContact O-N 3.32Å; E916-A918 VanDerWaalsContact C-N 3.31Å; E916-A918 PolarHBondContact O-N 2.69Å; E916-L919 PolarHBondContact O-N 3.4Å; E916-E920 WeakPolarHBondContact O-CB 3.23Å; E916-E920 PolarHBondContact O-N 3.3Å
917T70.2Confident75Confident61 Ų6154.5 Ų54.537%0.37427%0.265SS..Hα-helixtrans-66.5-33.6176.855.30000110.9M913 S914 Q921M913-T917 WeakPolarHBondContact O-CA 3.39Å; M913-T917 WeakPolarHBondContact O-CB 3.33Å; M913-T917 WeakPolarHBondContact O-CG2 3.37Å; M913-T917 PolarHBondContact O-N 3.31Å; M913-T917 PolarHBondContact O-OG1 3.49Å; S914-T917 WeakPolarHBondContact CA-OG1 3.45Å; S914-T917 PolarHBondContact O-OG1 2.92Å; T917-Q921 VanDerWaalsContact O-CA 3.31Å; T917-Q921 WeakPolarHBondContact O-CA 3.41Å; T917-Q921 WeakPolarHBondContact O-CB 3.42Å; T917-Q921 WeakPolarHBondContact O-CG 3.44Å; T917-Q921 PolarHBondContact O-N 3.45Å
918A74.8Confident74.5Confident27 Ų2750.3 Ų50.322%0.22325%0.248CC..Hα-helixtrans-67-38.2174.700000112.1I238 S914 A915 E916 K922I238-A918 HydrophobicContact CD1-CB 4.16Å; I238-A918 HydrophobicContact CG2-CB 3.89Å; S914-A918 WeakPolarHBondContact O-CB 3.47Å; S914-A918 PolarHBondContact O-N 2.94Å; A915-A918 PolarHBondContact O-N 3.35Å; E916-A918 VanDerWaalsContact C-N 3.31Å; E916-A918 PolarHBondContact O-N 2.69Å; A918-K922 VanDerWaalsContact O-CG 3.3Å; A918-K922 WeakPolarHBondContact O-CG 3.25Å; A918-K922 PolarHBondContact O-N 3.18Å; A918-K922 VanDerWaalsContact O-N 3.09Å
919L77.9Confident74.2Confident13 Ų1350.5 Ų50.57%0.06825%0.248CC..Hα-helixtrans-70.1-48.5176.7-178.262.1000111.2I235 I238 L242 A915 E916 Q921 K922 R923I235-L919 HydrophobicContact CG2-CD1 4.07Å; I235-L919 WeakPolarHBondContact O-CD1 3.31Å; I238-L919 HydrophobicContact CB-CB 4.42Å; I238-L919 HydrophobicContact CB-CD1 4.26Å; I238-L919 HydrophobicContact CG2-CB 3.85Å; L242-L919 HydrophobicContact CD2-CD2 4.28Å; A915-L919 WeakPolarHBondContact O-CB 3.44Å; A915-L919 PolarHBondContact O-N 2.91Å; E916-L919 PolarHBondContact O-N 3.4Å; L919-Q921 VanDerWaalsContact C-N 3.34Å; L919-K922 PolarHBondContact O-N 3.38Å; L919-R923 WeakPolarHBondContact O-CG 3.5Å; L919-R923 PolarHBondContact O-N 2.93Å
920E72.9Confident74Confident53 Ų5347.4 Ų47.425%0.24823%0.234CC..Hα-helixtrans-64.5-40177.8-168.963.4-165.800110.1E916 K922 R923 M924 Y969E916-E920 WeakPolarHBondContact O-CB 3.23Å; E916-E920 PolarHBondContact O-N 3.3Å; E920-K922 VanDerWaalsContact C-N 3.31Å; E920-K922 PolarHBondContact O-N 3.1Å; E920-R923 PolarHBondContact O-N 2.86Å; E920-M924 HydrophobicContact CG-CE 3.78Å; E920-M924 HydrophobicContact CG-CG 4.05Å; E920-M924 HydrophobicContact CG-SD 3.75Å; E920-M924 WeakPolarHBondContact O-CA 3.47Å; E920-M924 WeakPolarHBondContact O-CB 3.27Å; E920-M924 WeakPolarHBondContact O-CG 3.47Å; E920-M924 PolarHBondContact O-N 3.5Å; E920-M924 WeakPolarHBondContact OE1-CE 3.46Å; E920-Y969 WeakPolarHBondContact OE1-CE2 3.32Å; E920-Y969 PolarHBondContact OE1-OH 3.42Å
921Q69.9Low73.7Confident96 Ų9640.7 Ų40.745%0.44921%0.209SC..Hα-helixtrans-64.4-34.4174.6-80.31644.800111.7T917 L919 A925 T957T917-Q921 VanDerWaalsContact O-CA 3.31Å; T917-Q921 WeakPolarHBondContact O-CA 3.41Å; T917-Q921 WeakPolarHBondContact O-CB 3.42Å; T917-Q921 WeakPolarHBondContact O-CG 3.44Å; T917-Q921 PolarHBondContact O-N 3.45Å; L919-Q921 VanDerWaalsContact C-N 3.34Å; Q921-A925 VanDerWaalsContact O-CA 3.31Å; Q921-A925 WeakPolarHBondContact O-CA 3.37Å; Q921-A925 WeakPolarHBondContact O-CB 3.46Å; Q921-A925 PolarHBondContact O-N 2.94Å; Q921-T957 HydrophobicContact CG-CG2 3.95Å
922K74.5Confident73.2Confident85 Ų8538.2 Ų38.237%0.3720%0.199SC..Hα-helixtrans-72.9-44.6175.5-71.8-71.5-174.1176.20110.6N231 I235 I238 A918 L919 E920 A925 R926N231-K922 PolarHBondContact ND2-O 3.39Å; N231-K922 PolarHBondContact OD1-O 3.07Å; I235-K922 HydrophobicContact CB-CB 4.47Å; I235-K922 HydrophobicContact CD1-CB 4.47Å; I235-K922 HydrophobicContact CG1-CB 3.47Å; I235-K922 VanDerWaalsContact CG1-CB 3.47Å; I238-K922 HydrophobicContact CD1-CG 3.86Å; A918-K922 VanDerWaalsContact O-CG 3.3Å; A918-K922 WeakPolarHBondContact O-CG 3.25Å; A918-K922 PolarHBondContact O-N 3.18Å; A918-K922 VanDerWaalsContact O-N 3.09Å; L919-K922 PolarHBondContact O-N 3.38Å; E920-K922 VanDerWaalsContact C-N 3.31Å; E920-K922 PolarHBondContact O-N 3.1Å; K922-A925 PolarHBondContact O-N 2.79Å; K922-R926 PolarHBondContact O-N 3.08Å
923R75.9Confident72.6Confident85 Ų8537.7 Ų37.732%0.32120%0.196SC..Hα-helixtrans-63.8-43.2175.5-71.5177.1174.1-174.1-4113I235 L919 E920 R926 H927 Y969I235-R923 HydrophobicContact CD1-CB 4.5Å; I235-R923 HydrophobicContact CD1-CG 3.92Å; I235-R923 HydrophobicContact CG1-CG 4.09Å; I235-R923 HydrophobicContact CG2-CG 3.65Å; L919-R923 WeakPolarHBondContact O-CG 3.5Å; L919-R923 PolarHBondContact O-N 2.93Å; E920-R923 PolarHBondContact O-N 2.86Å; R923-R926 WeakPolarHBondContact O-CB 3.49Å; R923-R926 PolarHBondContact O-N 3.5Å; R923-H927 PolarHBondContact O-N 2.89Å; R923-Y969 HydrophobicContact CB-CD1 4.32Å; R923-Y969 HydrophobicContact CB-CE1 4.4Å; R923-Y969 HydrophobicContact CB-CG 4.46Å
924M70.5Confident72.2Confident7 Ų734.2 Ų34.23%0.03418%0.178CC..Hα-helixtrans-69.7-37172.1-75.7-176.1165.900111.9E920 R926 H927 N928 L955 M956 T957 Y969E920-M924 HydrophobicContact CG-CE 3.78Å; E920-M924 HydrophobicContact CG-CG 4.05Å; E920-M924 HydrophobicContact CG-SD 3.75Å; E920-M924 WeakPolarHBondContact O-CA 3.47Å; E920-M924 WeakPolarHBondContact O-CB 3.27Å; E920-M924 WeakPolarHBondContact O-CG 3.47Å; E920-M924 PolarHBondContact O-N 3.5Å; E920-M924 WeakPolarHBondContact OE1-CE 3.46Å; M924-R926 VanDerWaalsContact C-N 3.25Å; M924-R926 PolarHBondContact O-N 2.88Å; M924-H927 PolarHBondContact O-N 3.26Å; M924-N928 WeakPolarHBondContact O-CA 3.4Å; M924-N928 WeakPolarHBondContact O-CB 3.19Å; M924-N928 PolarHBondContact O-N 2.99Å; M924-N928 PolarHBondContact O-ND2 3.01Å; M924-L955 WeakPolarHBondContact CB-O 3.31Å; M924-L955 HydrophobicContact CG-CB 4.27Å; M924-L955 VanDerWaalsContact CG-O 3.27Å; M924-L955 WeakPolarHBondContact CG-O 3.43Å; M924-L955 VanDerWaalsContact SD-O 3.41Å; M924-M956 WeakPolarHBondContact CE-O 3.34Å; M924-M956 VanDerWaalsContact SD-C 3.55Å; M924-M956 VanDerWaalsContact SD-O 3.34Å; M924-T957 WeakPolarHBondContact SD-CA 3.47Å; M924-T957 HydrophobicContact SD-CG2 4.41Å; M924-Y969 VanDerWaalsContact CE-OH 3.26Å; M924-Y969 WeakPolarHBondContact CE-OH 3.27Å; M924-Y969 HydrophobicContact CG-CE1 4.28Å; M924-Y969 WeakPolarHBondContact CG-OH 3.21Å
925A72.7Confident71.5Confident27 Ų2735.8 Ų35.822%0.22318%0.182CC..Hα-helixtrans-64.5-38.9174.800000109.1N231 Q921 K922 M929N231-A925 WeakPolarHBondContact ND2-CB 3.34Å; Q921-A925 VanDerWaalsContact O-CA 3.31Å; Q921-A925 WeakPolarHBondContact O-CA 3.37Å; Q921-A925 WeakPolarHBondContact O-CB 3.46Å; Q921-A925 PolarHBondContact O-N 2.94Å; K922-A925 PolarHBondContact O-N 2.79Å; A925-M929 HydrophobicContact CB-CE 3.9Å; A925-M929 HydrophobicContact CB-SD 4.43Å; A925-M929 WeakPolarHBondContact O-CA 3.42Å; A925-M929 WeakPolarHBondContact O-CB 3.36Å; A925-M929 WeakPolarHBondContact O-CG 3.47Å; A925-M929 PolarHBondContact O-N 3.5Å
926R75.7Confident70.8Confident29 Ų2938.7 Ų38.711%0.10919%0.194CC..Hα-helixtrans-62.6-50.4172.1-176.1178.4177.9-117.82.2111.6N231 E232 I235 K922 R923 M924 M929 L930 E972N231-R926 PolarHBondContact ND2-N 3.24Å; E232-R926 HydrophobicContact CG-CG 4.47Å; E232-R926 VanDerWaalsContact CG-NE 3.32Å; E232-R926 IonicContact OE1-CZ 3.68Å; E232-R926 IonicContact OE1-NE 2.66Å; E232-R926 PolarHBondContact OE1-NE 3.42Å; E232-R926 IonicContact OE1-NH2 3.15Å; E232-R926 PolarHBondContact OE1-NH2 3.34Å; I235-R926 HydrophobicContact CD1-CB 4.21Å; K922-R926 PolarHBondContact O-N 3.08Å; R923-R926 WeakPolarHBondContact O-CB 3.49Å; R923-R926 PolarHBondContact O-N 3.5Å; M924-R926 VanDerWaalsContact C-N 3.25Å; M924-R926 PolarHBondContact O-N 2.88Å; R926-M929 PolarHBondContact O-N 3.39Å; R926-L930 HydrophobicContact CG-CD1 4.49Å; R926-L930 VanDerWaalsContact O-CG 3.31Å; R926-L930 WeakPolarHBondContact O-CG 3.32Å; R926-L930 PolarHBondContact O-N 3.28Å; R926-E972 PolarHBondContact NH1-O 2.95Å; R926-E972 PolarHBondContact NH2-O 3.37Å
927H75.4Confident69.8Low0 Ų042.4 Ų42.40%022%0.216CC..Hα-helixtrans-59.9-48.2176.5176.986.3000112.6R923 M924 L930 L931 V953 L955 Y969 E972R923-H927 PolarHBondContact O-N 2.89Å; M924-H927 PolarHBondContact O-N 3.26Å; H927-L930 CarbonylContact O-C 3.57Å; H927-L930 WeakPolarHBondContact O-CB 3.1Å; H927-L930 PolarHBondContact O-N 3.05Å; H927-L931 WeakPolarHBondContact NE2-CD2 3.4Å; H927-L931 WeakPolarHBondContact O-CB 3.38Å; H927-L931 PolarHBondContact O-N 2.96Å; H927-V953 PolarHBondContact NE2-O 3.2Å; H927-L955 HydrophobicContact CB-CB 4.23Å; H927-L955 HydrophobicContact CB-CD1 4.25Å; H927-L955 WeakPolarHBondContact CD2-CB 3.33Å; H927-L955 WeakPolarHBondContact CD2-CG 3.18Å; H927-L955 PolarHBondContact CD2-N 3Å; H927-L955 WeakPolarHBondContact ND1-CD1 3.35Å; H927-L955 VanDerWaalsContact NE2-CG 3.34Å; H927-L955 WeakPolarHBondContact NE2-CG 3.38Å; H927-L955 PolarHBondContact NE2-N 3.33Å; H927-Y969 HydrophobicContact CB-CD1 4.45Å; H927-Y969 HydrophobicContact CB-CE1 4.05Å; H927-E972 WeakPolarHBondContact CB-OE2 3.35Å; H927-E972 IonicContact CE1-OE1 2.69Å; H927-E972 PolarHBondContact CE1-OE1 3.4Å; H927-E972 IonicContact CE1-OE2 3.64Å; H927-E972 IonicContact CG-OE1 3.27Å; H927-E972 IonicContact CG-OE2 3.86Å; H927-E972 IonicContact ND1-OE1 3.42Å; H927-E972 PolarHBondContact ND1-OE1 2.89Å; H927-E972 IonicContact ND1-OE2 3.17Å; H927-E972 PolarHBondContact ND1-OE2 3.46Å
928N69.6Low69.4Low32 Ų3240.4 Ų40.417%0.17120%0.203CC..Hα-helixtrans-72.5-28.4-179-72.4-28.7000112.3M924 A932 Q954 L955M924-N928 WeakPolarHBondContact O-CA 3.4Å; M924-N928 WeakPolarHBondContact O-CB 3.19Å; M924-N928 PolarHBondContact O-N 2.99Å; M924-N928 PolarHBondContact O-ND2 3.01Å; N928-A932 VanDerWaalsContact O-CA 3.29Å; N928-A932 WeakPolarHBondContact O-CA 3.35Å; N928-A932 WeakPolarHBondContact O-CB 3.49Å; N928-A932 PolarHBondContact O-N 2.9Å; N928-Q954 WeakPolarHBondContact OD1-CG 3.43Å; N928-L955 PolarHBondContact ND2-O 2.86Å; N928-L955 PolarHBondContact OD1-N 3.31Å; N928-L955 PolarHBondContact OD1-O 3.3Å
929M73.8Confident68.7Low33 Ų3347.3 Ų47.316%0.16323%0.23CC..Hα-helixtrans-65.7-48.9169.7-74.8158-173.900107.7E227 L228 N231 A925 R926 L931 A932 C933E227-M929 HydrophobicContact CB-CE 3.71Å; E227-M929 HydrophobicContact CB-CG 4.44Å; E227-M929 HydrophobicContact CB-SD 3.82Å; E227-M929 HydrophobicContact CG-CE 4.46Å; L228-M929 HydrophobicContact CD1-CB 4.41Å; L228-M929 HydrophobicContact CD2-CB 3.27Å; L228-M929 HydrophobicContact CD2-CG 4.32Å; L228-M929 HydrophobicContact CD2-SD 4.29Å; L228-M929 HydrophobicContact CG-CB 3.67Å; N231-M929 HydrophobicContact CB-SD 4.24Å; N231-M929 PolarHBondContact ND2-SD 2.98Å; N231-M929 VanDerWaalsContact ND2-SD 3.43Å; A925-M929 HydrophobicContact CB-CE 3.9Å; A925-M929 HydrophobicContact CB-SD 4.43Å; A925-M929 WeakPolarHBondContact O-CA 3.42Å; A925-M929 WeakPolarHBondContact O-CB 3.36Å; A925-M929 WeakPolarHBondContact O-CG 3.47Å; A925-M929 PolarHBondContact O-N 3.5Å; R926-M929 PolarHBondContact O-N 3.39Å; M929-L931 VanDerWaalsContact C-N 3.33Å; M929-L931 PolarHBondContact O-N 2.88Å; M929-A932 PolarHBondContact O-N 3.49Å; M929-C933 WeakPolarHBondContact O-CB 3.26Å; M929-C933 PolarHBondContact O-N 2.74Å; M929-C933 PolarHBondContact O-SG 3.34Å
930L70.6Confident68.2Low3 Ų347.8 Ų47.82%0.01623%0.233CC..Hα-helixtrans-62.7-37.5176.8-66.5170.8000113.6L228 R926 H927 C933 K934 I950 I977L228-L930 HydrophobicContact CD1-CD2 3.78Å; L228-L930 HydrophobicContact CD2-CD2 3.77Å; L228-L930 HydrophobicContact CD2-CG 3.68Å; L228-L930 HydrophobicContact CG-CD2 4.45Å; R926-L930 HydrophobicContact CG-CD1 4.49Å; R926-L930 VanDerWaalsContact O-CG 3.31Å; R926-L930 WeakPolarHBondContact O-CG 3.32Å; R926-L930 PolarHBondContact O-N 3.28Å; H927-L930 CarbonylContact O-C 3.57Å; H927-L930 WeakPolarHBondContact O-CB 3.1Å; H927-L930 PolarHBondContact O-N 3.05Å; L930-C933 WeakPolarHBondContact O-CB 3.37Å; L930-K934 PolarHBondContact O-N 3.32Å; L930-I950 HydrophobicContact CB-CD1 3.8Å; L930-I977 HydrophobicContact CD2-CD1 3.44Å; L930-I977 VanDerWaalsContact CD2-CD1 3.44Å; L930-I977 HydrophobicContact CD2-CG1 4.1Å
931L69.4Low67.9Low0 Ų048.5 Ų48.50%024%0.241CC..Hα-helixtrans-85.3-30.7-178.9-177.962.5000112.8H927 M929 C933 K934 I935 I950 V953 Q954H927-L931 WeakPolarHBondContact NE2-CD2 3.4Å; H927-L931 WeakPolarHBondContact O-CB 3.38Å; H927-L931 PolarHBondContact O-N 2.96Å; M929-L931 VanDerWaalsContact C-N 3.33Å; M929-L931 PolarHBondContact O-N 2.88Å; L931-C933 PolarHBondContact O-N 2.86Å; L931-K934 HydrophobicContact CD1-CB 4.06Å; L931-K934 HydrophobicContact CD1-CD 3.94Å; L931-K934 HydrophobicContact CD1-CG 4.41Å; L931-K934 CarbonylContact O-C 3.56Å; L931-K934 WeakPolarHBondContact O-CA 3.39Å; L931-K934 WeakPolarHBondContact O-CB 3.3Å; L931-K934 PolarHBondContact O-N 3.48Å; L931-K934 VanDerWaalsContact O-N 3.08Å; L931-I935 HydrophobicContact CD1-CD1 3.83Å; L931-I935 HydrophobicContact CD1-CG1 3.92Å; L931-I935 HydrophobicContact CD2-CD1 4.03Å; L931-I935 HydrophobicContact CG-CD1 3.61Å; L931-I935 HydrophobicContact CG-CG1 4.11Å; L931-I935 WeakPolarHBondContact O-CB 3.43Å; L931-I935 WeakPolarHBondContact O-CG1 3.34Å; L931-I935 PolarHBondContact O-N 3.03Å; L931-I950 HydrophobicContact CB-CG2 4.48Å; L931-I950 HydrophobicContact CD1-CG2 4.37Å; L931-V953 WeakPolarHBondContact CD2-O 3.39Å; L931-Q954 HydrophobicContact CB-CG 4.41Å; L931-Q954 HydrophobicContact CD2-CB 3.23Å; L931-Q954 HydrophobicContact CD2-CG 3.51Å; L931-Q954 HydrophobicContact CG-CB 4.01Å; L931-Q954 HydrophobicContact CG-CG 3.91Å
932A66Low67.9Low13 Ų1345.6 Ų45.611%0.10723%0.228CC..Hα-helixtrans-62.3-36.3167.800000109.3N928 M929 K934 I935 Q936N928-A932 VanDerWaalsContact O-CA 3.29Å; N928-A932 WeakPolarHBondContact O-CA 3.35Å; N928-A932 WeakPolarHBondContact O-CB 3.49Å; N928-A932 PolarHBondContact O-N 2.9Å; M929-A932 PolarHBondContact O-N 3.49Å; A932-K934 VanDerWaalsContact C-N 3.31Å; A932-K934 PolarHBondContact O-N 3.4Å; A932-I935 PolarHBondContact O-N 3.41Å; A932-Q936 WeakPolarHBondContact O-CB 3.46Å; A932-Q936 WeakPolarHBondContact O-CG 3.48Å; A932-Q936 PolarHBondContact O-N 3.37Å
933C66Low67.5Low0 Ų047.3 Ų47.30%024%0.24CC..Hα-helixtrans-63.4-38.9172.1-62.80000111.9S224 M929 L930 L931 L938 I940S224-C933 VanDerWaalsContact CB-SG 3.5Å; M929-C933 WeakPolarHBondContact O-CB 3.26Å; M929-C933 PolarHBondContact O-N 2.74Å; M929-C933 PolarHBondContact O-SG 3.34Å; L930-C933 WeakPolarHBondContact O-CB 3.37Å; L931-C933 PolarHBondContact O-N 2.86Å; C933-L938 HydrophobicContact CB-CB 4.43Å; C933-L938 VanDerWaalsContact O-CB 3.32Å; C933-L938 WeakPolarHBondContact O-CB 3.37Å; C933-L938 PolarHBondContact O-N 3.44Å; C933-I940 HydrophobicContact CB-CD1 3.3Å; C933-I940 HydrophobicContact CB-CG1 4.13Å; C933-I940 WeakPolarHBondContact SG-CD1 3.49Å
934K65.8Low66.9Low26 Ų2645.7 Ų45.711%0.11324%0.242CC..Hα-helixtrans-71.8-39.1174.1-172.8-179.7-169171.60114.2L930 L931 A932 D937 L947 N948 I950 E952L930-K934 PolarHBondContact O-N 3.32Å; L931-K934 HydrophobicContact CD1-CB 4.06Å; L931-K934 HydrophobicContact CD1-CD 3.94Å; L931-K934 HydrophobicContact CD1-CG 4.41Å; L931-K934 CarbonylContact O-C 3.56Å; L931-K934 WeakPolarHBondContact O-CA 3.39Å; L931-K934 WeakPolarHBondContact O-CB 3.3Å; L931-K934 PolarHBondContact O-N 3.48Å; L931-K934 VanDerWaalsContact O-N 3.08Å; A932-K934 VanDerWaalsContact C-N 3.31Å; A932-K934 PolarHBondContact O-N 3.4Å; K934-D937 PolarHBondContact O-N 3Å; K934-L947 HydrophobicContact CB-CD2 3.69Å; K934-L947 HydrophobicContact CB-CG 4.36Å; K934-L947 WeakPolarHBondContact CD-O 3.46Å; K934-L947 WeakPolarHBondContact CE-O 3.44Å; K934-L947 HydrophobicContact CG-CD2 4.05Å; K934-L947 PolarHBondContact NZ-O 2.59Å; K934-N948 PolarHBondContact NZ-O 3.4Å; K934-I950 PolarHBondContact NZ-O 3.47Å; K934-E952 HydrophobicContact CD-CG 4.06Å; K934-E952 VanDerWaalsContact CE-CG 3.42Å; K934-E952 IonicContact NZ-OE1 3.83Å
935I59.5Low66.5Low89 Ų8947.1 Ų47.146%0.45626%0.258SS..Hα-helixtrans-82-33.7-173.9-73.9173.8000112.3L931 A932 D937 Q954L931-I935 HydrophobicContact CD1-CD1 3.83Å; L931-I935 HydrophobicContact CD1-CG1 3.92Å; L931-I935 HydrophobicContact CD2-CD1 4.03Å; L931-I935 HydrophobicContact CG-CD1 3.61Å; L931-I935 HydrophobicContact CG-CG1 4.11Å; L931-I935 WeakPolarHBondContact O-CB 3.43Å; L931-I935 WeakPolarHBondContact O-CG1 3.34Å; L931-I935 PolarHBondContact O-N 3.03Å; A932-I935 PolarHBondContact O-N 3.41Å; I935-D937 PolarHBondContact O-N 2.97Å; I935-Q954 HydrophobicContact CD1-CB 3.69Å; I935-Q954 VanDerWaalsContact CD1-CD 3.49Å; I935-Q954 HydrophobicContact CD1-CG 4.04Å
936Q60.5Low66Low68 Ų6848 Ų4832%0.31826%0.263SS..THydrogen-bonded Turntrans-78.65.5172.4-61.4173.712.800111.5A932 L938A932-Q936 WeakPolarHBondContact O-CB 3.46Å; A932-Q936 WeakPolarHBondContact O-CG 3.48Å; A932-Q936 PolarHBondContact O-N 3.37Å; Q936-L938 HydrophobicContact CB-CD1 3.61Å; Q936-L938 HydrophobicContact CB-CG 3.61Å; Q936-L938 HydrophobicContact CG-CD1 4.37Å; Q936-L938 PolarHBondContact O-N 3.4Å
937D55.4Low65.5Low143 Ų14347.9 Ų47.977%0.76526%0.264SS*.THydrogen-bonded Turntrans49.540.8-176.3-146.316.3000112K934 I935K934-D937 PolarHBondContact O-N 3Å; I935-D937 PolarHBondContact O-N 2.97Å
938L61.7Low64.8Low20 Ų2054 Ų5411%0.10530%0.297CS..  trans-83.4120.7-179.2-69.7170.5000108.4L221 C933 Q936 I940L221-L938 HydrophobicContact CB-CD2 3.54Å; L221-L938 HydrophobicContact CD1-CB 3.61Å; L221-L938 HydrophobicContact CD1-CD1 4.35Å; L221-L938 HydrophobicContact CD1-CD2 3.51Å; L221-L938 HydrophobicContact CD1-CG 4.01Å; L221-L938 HydrophobicContact CD2-CD2 4.33Å; L221-L938 HydrophobicContact CG-CD2 3.93Å; C933-L938 HydrophobicContact CB-CB 4.43Å; C933-L938 VanDerWaalsContact O-CB 3.32Å; C933-L938 WeakPolarHBondContact O-CB 3.37Å; C933-L938 PolarHBondContact O-N 3.44Å; Q936-L938 HydrophobicContact CB-CD1 3.61Å; Q936-L938 HydrophobicContact CB-CG 3.61Å; Q936-L938 HydrophobicContact CG-CD1 4.37Å; Q936-L938 PolarHBondContact O-N 3.4Å; L938-I940 PolarHBondContact O-N 2.97Å; L938-I940 VanDerWaalsContact O-N 3.16Å
939Q58.8Low64.3Low172 Ų17258.6 Ų58.680%0.80432%0.317SS*.  trans-75.7104-175.6-62.2-161.8-14.100111.4
940I67.3Low63.8Low23 Ų2357.1 Ų57.112%0.11831%0.31CS..  trans-118.1139.5179.3-61-168.6000111.9L225 C933 L938 L947L225-I940 HydrophobicContact CD2-CD1 3.78Å; L225-I940 HydrophobicContact CD2-CG1 4.17Å; L225-I940 HydrophobicContact CD2-CG2 3.89Å; L225-I940 HydrophobicContact CG-CD1 4.3Å; C933-I940 HydrophobicContact CB-CD1 3.3Å; C933-I940 HydrophobicContact CB-CG1 4.13Å; C933-I940 WeakPolarHBondContact SG-CD1 3.49Å; L938-I940 PolarHBondContact O-N 2.97Å; L938-I940 VanDerWaalsContact O-N 3.16Å; I940-L947 HydrophobicContact CB-CD1 4.03Å; I940-L947 HydrophobicContact CG2-CD1 4.42Å
941T66.3Low63.2Low68 Ų6859.1 Ų59.142%0.41733%0.325SS..  trans-95.7133.7-177.9-52.30000112.4D978T941-D978 HydrophobicContact CG2-CB 4.39Å; T941-D978 WeakPolarHBondContact O-CB 3.29Å; T941-D978 PolarHBondContact O-N 3Å
942M70.2Confident62.5Low35 Ų3566.2 Ų66.217%0.17236%0.358CS..EExtended strand (participates in β ladder)trans-124.5147-176.8-68.7-139.8-144.200113.8L947 I950 I977M942-L947 HydrophobicContact CE-CB 3.8Å; M942-L947 HydrophobicContact CE-CD1 3.53Å; M942-L947 HydrophobicContact CE-CG 3.97Å; M942-I950 HydrophobicContact CE-CD1 3.59Å; M942-I950 HydrophobicContact CE-CG1 4.38Å; M942-I977 HydrophobicContact SD-CG1 4.16Å
943L66.2Low61.9Low121 Ų12169 Ų6963%0.63437%0.373SS*.EExtended strand (participates in β ladder)trans-95-35.9-178.1-69.1171.1000114.3V976 D978L943-V976 PolarHBondContact N-O 3.14Å; L943-D978 HydrophobicContact CD1-CB 4.4Å; L943-D978 HydrophobicContact CD2-CB 4.34Å; L943-D978 HydrophobicContact CG-CB 3.91Å
944S63.4Low61.1Low50 Ų5071.9 Ų71.935%0.3539%0.386SS..EExtended strand (participates in β ladder)trans-142.8126.7170.373.10000111.7V976S944-V976 PolarHBondContact N-O 2.7Å; S944-V976 PolarHBondContact O-N 3.21Å; S944-V976 VanDerWaalsContact O-N 3.08Å; S944-V976 WeakPolarHBondContact OG-CB 3.45Å; S944-V976 WeakPolarHBondContact OG-CG2 3.39Å; S944-V976 PolarHBondContact OG-N 3.47Å
945G62.5Low60.4Low37 Ų3770.6 Ų70.638%0.38138%0.381SS..SBendtrans92.5168.7-165.300000111.9E949G945-E949 WeakPolarHBondContact CA-OE2 3.35Å
946S62.1Low60.1Low45 Ų4571 Ų7132%0.31538%0.382SS..  trans-124.7145.3176.8175.50000111.9N948 E949S946-N948 PolarHBondContact O-N 2.67Å; S946-N948 VanDerWaalsContact O-N 3.12Å; S946-N948 PolarHBondContact OG-N 2.68Å; S946-E949 PolarHBondContact N-OE2 3.33Å; S946-E949 WeakPolarHBondContact O-CA 3.28Å; S946-E949 WeakPolarHBondContact O-CB 3.46Å; S946-E949 PolarHBondContact O-N 2.91Å
947L64.5Low59.3Low28 Ų2871.8 Ų71.815%0.14739%0.391CS..THydrogen-bonded Turntrans-60.3-23.7175.6-149.7110.4000111.6K934 I940 M942 I950K934-L947 HydrophobicContact CB-CD2 3.69Å; K934-L947 HydrophobicContact CB-CG 4.36Å; K934-L947 WeakPolarHBondContact CD-O 3.46Å; K934-L947 WeakPolarHBondContact CE-O 3.44Å; K934-L947 HydrophobicContact CG-CD2 4.05Å; K934-L947 PolarHBondContact NZ-O 2.59Å; I940-L947 HydrophobicContact CB-CD1 4.03Å; I940-L947 HydrophobicContact CG2-CD1 4.42Å; M942-L947 HydrophobicContact CE-CB 3.8Å; M942-L947 HydrophobicContact CE-CD1 3.53Å; M942-L947 HydrophobicContact CE-CG 3.97Å; L947-I950 HydrophobicContact CD1-CD1 4.37Å; L947-I950 HydrophobicContact CG-CD1 4.05Å
948N60.4Low58.7Low129 Ų12971.1 Ų71.169%0.6939%0.388SS*.THydrogen-bonded Turntrans-76.9-20.5174.7-66.8-21.3000113.3K934 S946K934-N948 PolarHBondContact NZ-O 3.4Å; S946-N948 PolarHBondContact O-N 2.67Å; S946-N948 VanDerWaalsContact O-N 3.12Å; S946-N948 PolarHBondContact OG-N 2.68Å
949E61Low57.9Low127 Ų12771.9 Ų71.959%0.59340%0.395SS*.THydrogen-bonded Turntrans-83.4-16.7176.1-66.2167177.900112.6G945 S946 S951 F975G945-E949 WeakPolarHBondContact CA-OE2 3.35Å; S946-E949 PolarHBondContact N-OE2 3.33Å; S946-E949 WeakPolarHBondContact O-CA 3.28Å; S946-E949 WeakPolarHBondContact O-CB 3.46Å; S946-E949 PolarHBondContact O-N 2.91Å; E949-S951 PolarHBondContact O-N 3.35Å; E949-F975 HydrophobicContact CB-CZ 4.36Å
950I62.3Low57.3Low2 Ų272.3 Ų72.31%0.0140%0.397CS..SBendtrans-61.5126.5166.8-61.8165.4000107.4L930 L931 K934 M942 L947 E952 F975L930-I950 HydrophobicContact CB-CD1 3.8Å; L931-I950 HydrophobicContact CB-CG2 4.48Å; L931-I950 HydrophobicContact CD1-CG2 4.37Å; K934-I950 PolarHBondContact NZ-O 3.47Å; M942-I950 HydrophobicContact CE-CD1 3.59Å; M942-I950 HydrophobicContact CE-CG1 4.38Å; L947-I950 HydrophobicContact CD1-CD1 4.37Å; L947-I950 HydrophobicContact CG-CD1 4.05Å; I950-E952 PolarHBondContact O-N 2.87Å; I950-F975 HydrophobicContact CG1-CD2 4.33Å; I950-F975 HydrophobicContact CG1-CE2 3.76Å
951S58.3Low56.3Low46 Ų4674 Ų7432%0.32241%0.411SS..  trans-55.8126.6172.9-166.60000108.5E949 V953E949-S951 PolarHBondContact O-N 3.35Å; S951-V953 PolarHBondContact O-N 3.47Å; S951-V953 WeakPolarHBondContact OG-CG2 3.41Å
952E54.3Low55.7Low148 Ų14875.7 Ų75.769%0.69242%0.421SS*.SBendtrans-64.410.2179.6-70.6178-179.100113.8K934 I950 Q954K934-E952 HydrophobicContact CD-CG 4.06Å; K934-E952 VanDerWaalsContact CE-CG 3.42Å; K934-E952 IonicContact NZ-OE1 3.83Å; I950-E952 PolarHBondContact O-N 2.87Å; E952-Q954 PolarHBondContact O-N 2.93Å
953V53Low54.9Low71 Ų7178.9 Ų78.943%0.4344%0.443SS..SBendtrans-91.199.7-171.6179.60000108.1H927 L931 S951 L955H927-V953 PolarHBondContact NE2-O 3.2Å; L931-V953 WeakPolarHBondContact CD2-O 3.39Å; S951-V953 PolarHBondContact O-N 3.47Å; S951-V953 WeakPolarHBondContact OG-CG2 3.41Å; V953-L955 HydrophobicContact CG1-CD2 4.12Å; V953-L955 WeakPolarHBondContact O-CG 3.17Å; V953-L955 PolarHBondContact O-N 3.32Å
954Q50.6Low54.2Low61 Ų6175.3 Ų75.329%0.28543%0.431SS..  trans-24.684.9160.8-129.3-179.821.500114N928 L931 I935 E952 M956 S959N928-Q954 WeakPolarHBondContact OD1-CG 3.43Å; L931-Q954 HydrophobicContact CB-CG 4.41Å; L931-Q954 HydrophobicContact CD2-CB 3.23Å; L931-Q954 HydrophobicContact CD2-CG 3.51Å; L931-Q954 HydrophobicContact CG-CB 4.01Å; L931-Q954 HydrophobicContact CG-CG 3.91Å; I935-Q954 HydrophobicContact CD1-CB 3.69Å; I935-Q954 VanDerWaalsContact CD1-CD 3.49Å; I935-Q954 HydrophobicContact CD1-CG 4.04Å; E952-Q954 PolarHBondContact O-N 2.93Å; Q954-M956 HydrophobicContact CB-CG 4.29Å; Q954-M956 HydrophobicContact CB-SD 4.41Å; Q954-M956 HydrophobicContact CG-CG 4.41Å; Q954-M956 HydrophobicContact CG-SD 3.98Å; Q954-M956 PolarHBondContact O-N 3.06Å; Q954-S959 PolarHBondContact O-OG 3.28Å; Q954-S959 VanDerWaalsContact O-OG 3.09Å
955L51Low54.1Low0 Ų073.2 Ų73.20%042%0.416CS..  trans-78.262.1176.5-58.9-177000109.5M924 H927 N928 V953 T965 I968 Y969M924-L955 WeakPolarHBondContact CB-O 3.31Å; M924-L955 HydrophobicContact CG-CB 4.27Å; M924-L955 VanDerWaalsContact CG-O 3.27Å; M924-L955 WeakPolarHBondContact CG-O 3.43Å; M924-L955 VanDerWaalsContact SD-O 3.41Å; H927-L955 HydrophobicContact CB-CB 4.23Å; H927-L955 HydrophobicContact CB-CD1 4.25Å; H927-L955 WeakPolarHBondContact CD2-CB 3.33Å; H927-L955 WeakPolarHBondContact CD2-CG 3.18Å; H927-L955 PolarHBondContact CD2-N 3Å; H927-L955 WeakPolarHBondContact ND1-CD1 3.35Å; H927-L955 VanDerWaalsContact NE2-CG 3.34Å; H927-L955 WeakPolarHBondContact NE2-CG 3.38Å; H927-L955 PolarHBondContact NE2-N 3.33Å; N928-L955 PolarHBondContact ND2-O 2.86Å; N928-L955 PolarHBondContact OD1-N 3.31Å; N928-L955 PolarHBondContact OD1-O 3.3Å; V953-L955 HydrophobicContact CG1-CD2 4.12Å; V953-L955 WeakPolarHBondContact O-CG 3.17Å; V953-L955 PolarHBondContact O-N 3.32Å; L955-T965 HydrophobicContact CD1-CG2 4.44Å; L955-T965 HydrophobicContact CD2-CG2 3.35Å; L955-I968 HydrophobicContact CD1-CB 3.97Å; L955-I968 HydrophobicContact CD1-CD1 4.2Å; L955-I968 HydrophobicContact CD1-CG2 3.57Å; L955-I968 HydrophobicContact CD2-CD1 4.3Å; L955-Y969 HydrophobicContact CB-CE1 4.26Å; L955-Y969 HydrophobicContact CD1-CD1 3.9Å; L955-Y969 HydrophobicContact CD1-CE1 3.18Å; L955-Y969 HydrophobicContact CG-CE1 4.31Å
956M53.3Low54.1Low98 Ų9876.1 Ų76.148%0.48342%0.421SS..  trans-56.3152166.8-58.7-64.4-79.800108.1M924 Q954 D958 S959M924-M956 WeakPolarHBondContact CE-O 3.34Å; M924-M956 VanDerWaalsContact SD-C 3.55Å; M924-M956 VanDerWaalsContact SD-O 3.34Å; Q954-M956 HydrophobicContact CB-CG 4.29Å; Q954-M956 HydrophobicContact CB-SD 4.41Å; Q954-M956 HydrophobicContact CG-CG 4.41Å; Q954-M956 HydrophobicContact CG-SD 3.98Å; Q954-M956 PolarHBondContact O-N 3.06Å; M956-D958 PolarHBondContact O-N 3.02Å; M956-S959 PolarHBondContact O-N 3.29Å
957T42.3Very low54.1Low83 Ų8377.4 Ų77.451%0.50942%0.424SS..THydrogen-bonded Turntrans-44-15.3176.413.70000115.9Q921 M924Q921-T957 HydrophobicContact CG-CG2 3.95Å; M924-T957 WeakPolarHBondContact SD-CA 3.47Å; M924-T957 HydrophobicContact SD-CG2 4.41Å
958D44.1Very low54.3Low130 Ų13077 Ų7770%0.69542%0.422SS*.THydrogen-bonded Turntrans-124.311.6-169.9-53.5-30.7000114.2M956 E960M956-D958 PolarHBondContact O-N 3.02Å; D958-E960 VanDerWaalsContact C-N 3.33Å; D958-E960 PolarHBondContact O-N 3.45Å
959S44.2Very low54.8Low36 Ų3671.7 Ų71.725%0.25239%0.392SS..  trans-75.885.2175.2-68.90000111.2Q954 M956 S961 T965Q954-S959 PolarHBondContact O-OG 3.28Å; Q954-S959 VanDerWaalsContact O-OG 3.09Å; M956-S959 PolarHBondContact O-N 3.29Å; S959-S961 PolarHBondContact O-N 2.94Å; S959-T965 WeakPolarHBondContact O-CG2 3.45Å
960E46.1Very low55.1Low180 Ų18071.2 Ų71.284%0.84139%0.39SS*.  trans-68.920.4-174.4-71.7175.7159.900116.4D958 T962D958-E960 VanDerWaalsContact C-N 3.33Å; D958-E960 PolarHBondContact O-N 3.45Å; E960-T962 PolarHBondContact O-N 3.11Å
961S46.7Very low55.4Low59 Ų5978.4 Ų78.441%0.41342%0.417SS..  trans-93.773.9170.969.50000111S959 T963 A964 T965S959-S961 PolarHBondContact O-N 2.94Å; S961-T963 PolarHBondContact O-N 2.95Å; S961-A964 PolarHBondContact O-N 3.36Å; S961-A964 VanDerWaalsContact O-N 3.08Å; S961-T965 WeakPolarHBondContact O-CG2 3.28Å; S961-T965 PolarHBondContact O-N 3.01Å; S961-T965 PolarHBondContact O-OG1 3.37Å
962T53.1Low55.9Low103 Ų10376.4 Ų76.463%0.63240%0.403SS*.THydrogen-bonded Turntrans-56.8-10.6-172.340.40000116.7E960 M966E960-T962 PolarHBondContact O-N 3.11Å; T962-M966 WeakPolarHBondContact O-CB 3.43Å
963T52.6Low56.6Low103 Ų10372.6 Ų72.663%0.63240%0.397SS*.THydrogen-bonded Turntrans-95.8-46.6172.832.10000111.7S961 M966 D967S961-T963 PolarHBondContact O-N 2.95Å; T963-M966 PolarHBondContact O-N 2.81Å; T963-D967 WeakPolarHBondContact O-CB 3.47Å; T963-D967 PolarHBondContact O-N 2.93Å
964A53.4Low57.3Low46 Ų4676 Ų7638%0.3841%0.408SS..Hα-helixtrans-71.4-35.6178.300000113.1S961 I968S961-A964 PolarHBondContact O-N 3.36Å; S961-A964 VanDerWaalsContact O-N 3.08Å; A964-I968 VanDerWaalsContact O-CD1 3.26Å; A964-I968 WeakPolarHBondContact O-CD1 3.48Å; A964-I968 WeakPolarHBondContact O-CG1 3.39Å; A964-I968 PolarHBondContact O-N 3.31Å
965T60.9Low58.3Low5 Ų574.6 Ų74.63%0.03140%0.401CS..Hα-helixtrans-69.5-37.417555.70000111.8L955 S959 S961 I968 Y969L955-T965 HydrophobicContact CD1-CG2 4.44Å; L955-T965 HydrophobicContact CD2-CG2 3.35Å; S959-T965 WeakPolarHBondContact O-CG2 3.45Å; S961-T965 WeakPolarHBondContact O-CG2 3.28Å; S961-T965 PolarHBondContact O-N 3.01Å; S961-T965 PolarHBondContact O-OG1 3.37Å; T965-I968 WeakPolarHBondContact O-CB 3.49Å; T965-I968 PolarHBondContact O-N 3.07Å; T965-Y969 WeakPolarHBondContact O-CD2 3.45Å; T965-Y969 WeakPolarHBondContact O-CE2 3.23Å; T965-Y969 PolarHBondContact O-N 3.05Å
966M61.8Low59.2Low98 Ų9878.2 Ų78.248%0.48342%0.423SS..Hα-helixtrans-69.6-40.5177.3-154.2157.773.600111.4T962 T963 I968 Y969 E970T962-M966 WeakPolarHBondContact O-CB 3.43Å; T963-M966 PolarHBondContact O-N 2.81Å; M966-I968 VanDerWaalsContact C-N 3.28Å; M966-I968 PolarHBondContact O-N 3.36Å; M966-Y969 PolarHBondContact O-N 3.49Å; M966-E970 WeakPolarHBondContact O-CB 3.45Å; M966-E970 VanDerWaalsContact O-CG 3.3Å; M966-E970 WeakPolarHBondContact O-CG 3.36Å; M966-E970 PolarHBondContact O-N 3.12Å
967D62.1Low60.2Low73 Ų7374.1 Ų74.139%0.3940%0.403SS..Hα-helixtrans-60.8-35.8169.5-74.2-8.7000112.3T963 R971T963-D967 WeakPolarHBondContact O-CB 3.47Å; T963-D967 PolarHBondContact O-N 2.93Å; D967-R971 VanDerWaalsContact O-CG 3.26Å; D967-R971 WeakPolarHBondContact O-CG 3.31Å; D967-R971 PolarHBondContact O-N 3.33Å; D967-R971 VanDerWaalsContact O-N 3.07Å
968I68.4Low61.5Low18 Ų1872.4 Ų72.49%0.09239%0.39CS..Hα-helixtrans-67.7-47.8175.6-70.4160.1000110.3L955 A964 T965 M966 E970 R971 E972L955-I968 HydrophobicContact CD1-CB 3.97Å; L955-I968 HydrophobicContact CD1-CD1 4.2Å; L955-I968 HydrophobicContact CD1-CG2 3.57Å; L955-I968 HydrophobicContact CD2-CD1 4.3Å; A964-I968 VanDerWaalsContact O-CD1 3.26Å; A964-I968 WeakPolarHBondContact O-CD1 3.48Å; A964-I968 WeakPolarHBondContact O-CG1 3.39Å; A964-I968 PolarHBondContact O-N 3.31Å; T965-I968 WeakPolarHBondContact O-CB 3.49Å; T965-I968 PolarHBondContact O-N 3.07Å; M966-I968 VanDerWaalsContact C-N 3.28Å; M966-I968 PolarHBondContact O-N 3.36Å; I968-E970 VanDerWaalsContact C-N 3.3Å; I968-E970 PolarHBondContact O-N 3.4Å; I968-R971 PolarHBondContact O-N 3.46Å; I968-E972 VanDerWaalsContact CG2-CD 3.45Å; I968-E972 HydrophobicContact CG2-CG 4.27Å; I968-E972 WeakPolarHBondContact CG2-OE1 3.33Å; I968-E972 WeakPolarHBondContact O-CB 3.44Å; I968-E972 WeakPolarHBondContact O-CG 3.49Å; I968-E972 PolarHBondContact O-N 3.24Å
969Y71.6Confident62.9Low18 Ų1868.4 Ų68.47%0.07137%0.366CS..Hα-helixtrans-63.2-36.3177.2-57.2-40.9000112.7E920 R923 M924 H927 L955 T965 M966 E972 A973E920-Y969 WeakPolarHBondContact OE1-CE2 3.32Å; E920-Y969 PolarHBondContact OE1-OH 3.42Å; R923-Y969 HydrophobicContact CB-CD1 4.32Å; R923-Y969 HydrophobicContact CB-CE1 4.4Å; R923-Y969 HydrophobicContact CB-CG 4.46Å; M924-Y969 VanDerWaalsContact CE-OH 3.26Å; M924-Y969 WeakPolarHBondContact CE-OH 3.27Å; M924-Y969 HydrophobicContact CG-CE1 4.28Å; M924-Y969 WeakPolarHBondContact CG-OH 3.21Å; H927-Y969 HydrophobicContact CB-CD1 4.45Å; H927-Y969 HydrophobicContact CB-CE1 4.05Å; L955-Y969 HydrophobicContact CB-CE1 4.26Å; L955-Y969 HydrophobicContact CD1-CD1 3.9Å; L955-Y969 HydrophobicContact CD1-CE1 3.18Å; L955-Y969 HydrophobicContact CG-CE1 4.31Å; T965-Y969 WeakPolarHBondContact O-CD2 3.45Å; T965-Y969 WeakPolarHBondContact O-CE2 3.23Å; T965-Y969 PolarHBondContact O-N 3.05Å; M966-Y969 PolarHBondContact O-N 3.49Å; Y969-E972 PolarHBondContact O-N 3.4Å; Y969-A973 WeakPolarHBondContact O-CB 3.2Å; Y969-A973 PolarHBondContact O-N 3.49Å
970E68.1Low63.8Low118 Ų11870.9 Ų70.955%0.55138%0.383SS*.Hα-helixtrans-69.2-32.9176.6-75.5179.5-172.700112.6M966 I968 Q974M966-E970 WeakPolarHBondContact O-CB 3.45Å; M966-E970 VanDerWaalsContact O-CG 3.3Å; M966-E970 WeakPolarHBondContact O-CG 3.36Å; M966-E970 PolarHBondContact O-N 3.12Å; I968-E970 VanDerWaalsContact C-N 3.3Å; I968-E970 PolarHBondContact O-N 3.4Å; E970-Q974 PolarHBondContact O-NE2 2.83Å
971R68.1Low64.4Low153 Ų15368.6 Ų68.658%0.57737%0.372SS*.Hα-helixtrans-73.8-42171.2-72.5176.4-144179.66.7112D967 I968 A973 Q974D967-R971 VanDerWaalsContact O-CG 3.26Å; D967-R971 WeakPolarHBondContact O-CG 3.31Å; D967-R971 PolarHBondContact O-N 3.33Å; D967-R971 VanDerWaalsContact O-N 3.07Å; I968-R971 PolarHBondContact O-N 3.46Å; R971-A973 VanDerWaalsContact C-N 3.32Å; R971-A973 PolarHBondContact O-N 3.43Å; R971-Q974 VanDerWaalsContact O-CB 3.23Å; R971-Q974 WeakPolarHBondContact O-CB 3.07Å; R971-Q974 PolarHBondContact O-N 2.94Å
972E69.3Low65.1Low4 Ų466.8 Ų66.82%0.01936%0.358CS..Hα-helixtrans-72.2-24-179.6-76.4171.4-176.500113.7R926 H927 I968 Y969 Q974 F975R926-E972 PolarHBondContact NH1-O 2.95Å; R926-E972 PolarHBondContact NH2-O 3.37Å; H927-E972 WeakPolarHBondContact CB-OE2 3.35Å; H927-E972 IonicContact CE1-OE1 2.69Å; H927-E972 PolarHBondContact CE1-OE1 3.4Å; H927-E972 IonicContact CE1-OE2 3.64Å; H927-E972 IonicContact CG-OE1 3.27Å; H927-E972 IonicContact CG-OE2 3.86Å; H927-E972 IonicContact ND1-OE1 3.42Å; H927-E972 PolarHBondContact ND1-OE1 2.89Å; H927-E972 IonicContact ND1-OE2 3.17Å; H927-E972 PolarHBondContact ND1-OE2 3.46Å; I968-E972 VanDerWaalsContact CG2-CD 3.45Å; I968-E972 HydrophobicContact CG2-CG 4.27Å; I968-E972 WeakPolarHBondContact CG2-OE1 3.33Å; I968-E972 WeakPolarHBondContact O-CB 3.44Å; I968-E972 WeakPolarHBondContact O-CG 3.49Å; I968-E972 PolarHBondContact O-N 3.24Å; Y969-E972 PolarHBondContact O-N 3.4Å; E972-Q974 PolarHBondContact O-N 2.95Å; E972-Q974 VanDerWaalsContact O-N 3.09Å; E972-F975 HydrophobicContact CB-CD2 4.15Å; E972-F975 HydrophobicContact CB-CE2 4.35Å; E972-F975 HydrophobicContact CG-CD2 3.77Å; E972-F975 HydrophobicContact CG-CE2 3.55Å; E972-F975 PolarHBondContact O-N 2.9Å
973A67.4Low65.4Low68 Ų6868 Ų6856%0.56236%0.356SS*.THydrogen-bonded Turntrans-58.4-13165.700000113Y969 R971Y969-A973 WeakPolarHBondContact O-CB 3.2Å; Y969-A973 PolarHBondContact O-N 3.49Å; R971-A973 VanDerWaalsContact C-N 3.32Å; R971-A973 PolarHBondContact O-N 3.43Å
974Q67.7Low65.5Low143 Ų14371.6 Ų71.667%0.66837%0.366SS*.THydrogen-bonded Turntrans-100.3-7.4-179.7-50.117415.100114.1E970 R971 E972E970-Q974 PolarHBondContact O-NE2 2.83Å; R971-Q974 VanDerWaalsContact O-CB 3.23Å; R971-Q974 WeakPolarHBondContact O-CB 3.07Å; R971-Q974 PolarHBondContact O-N 2.94Å; E972-Q974 PolarHBondContact O-N 2.95Å; E972-Q974 VanDerWaalsContact O-N 3.09Å
975F71.4Confident65.7Low30 Ų3077.2 Ų77.213%0.13239%0.385CS..  trans-81.4148.5-179-64.6-29.2000113.7E949 I950 E972E949-F975 HydrophobicContact CB-CZ 4.36Å; I950-F975 HydrophobicContact CG1-CD2 4.33Å; I950-F975 HydrophobicContact CG1-CE2 3.76Å; E972-F975 HydrophobicContact CB-CD2 4.15Å; E972-F975 HydrophobicContact CB-CE2 4.35Å; E972-F975 HydrophobicContact CG-CD2 3.77Å; E972-F975 HydrophobicContact CG-CE2 3.55Å; E972-F975 PolarHBondContact O-N 2.9Å
976V70.9Confident65.7Low77 Ų7777.9 Ų77.947%0.46739%0.388SS..EExtended strand (participates in β ladder)trans-133.7118.4178.6-172.70000110.7L943 S944L943-V976 PolarHBondContact N-O 3.14Å; S944-V976 PolarHBondContact N-O 2.7Å; S944-V976 PolarHBondContact O-N 3.21Å; S944-V976 VanDerWaalsContact O-N 3.08Å; S944-V976 WeakPolarHBondContact OG-CB 3.45Å; S944-V976 WeakPolarHBondContact OG-CG2 3.39Å; S944-V976 PolarHBondContact OG-N 3.47Å
977I75.1Confident65.5Low11 Ų1176.2 Ų76.26%0.05638%0.383CS..EExtended strand (participates in β ladder)trans-97.1145.9-170.7-59.9148.5000111.3L930 M942 Y979L930-I977 HydrophobicContact CD2-CD1 3.44Å; L930-I977 VanDerWaalsContact CD2-CD1 3.44Å; L930-I977 HydrophobicContact CD2-CG1 4.1Å; M942-I977 HydrophobicContact SD-CG1 4.16Å; I977-Y979 HydrophobicContact CB-CE1 4.49Å; I977-Y979 HydrophobicContact CB-CE2 4.01Å; I977-Y979 HydrophobicContact CG2-CD1 4.42Å; I977-Y979 HydrophobicContact CG2-CE1 4.06Å; I977-Y979 HydrophobicContact CG2-CE2 4.3Å; I977-Y979 WeakPolarHBondContact O-CD2 3.42Å
978D69.1Low65.1Low47 Ų4778 Ų7825%0.25140%0.4SS..  trans-88.5123.8171.9-163.6-16000110.2T941 L943 S980T941-D978 HydrophobicContact CG2-CB 4.39Å; T941-D978 WeakPolarHBondContact O-CB 3.29Å; T941-D978 PolarHBondContact O-N 3Å; L943-D978 HydrophobicContact CD1-CB 4.4Å; L943-D978 HydrophobicContact CD2-CB 4.34Å; L943-D978 HydrophobicContact CG-CB 3.91Å; D978-S980 VanDerWaalsContact OD1-CB 3.29Å; D978-S980 WeakPolarHBondContact OD1-CB 3.48Å; D978-S980 PolarHBondContact OD1-N 3.12Å; D978-S980 VanDerWaalsContact OD1-N 3.08Å; D978-S980 PolarHBondContact OD1-OG 3.22Å; D978-S980 PolarHBondContact OD2-OG 3.11Å
979Y73.8Confident64.7Low47 Ų4778.8 Ų78.818%0.18440%0.404CS..  trans-104.817.6-177.8-63.7-79.7000112.9L228 Y229 I977 L982L228-Y979 HydrophobicContact CB-CE1 4.2Å; Y229-Y979 HydrophobicContact CD2-CD2 4.39Å; Y229-Y979 HydrophobicContact CD2-CE2 4.16Å; I977-Y979 HydrophobicContact CB-CE1 4.49Å; I977-Y979 HydrophobicContact CB-CE2 4.01Å; I977-Y979 HydrophobicContact CG2-CD1 4.42Å; I977-Y979 HydrophobicContact CG2-CE1 4.06Å; I977-Y979 HydrophobicContact CG2-CE2 4.3Å; I977-Y979 WeakPolarHBondContact O-CD2 3.42Å; Y979-L982 VanDerWaalsContact O-CB 3.26Å; Y979-L982 WeakPolarHBondContact O-CB 3.35Å; Y979-L982 PolarHBondContact O-N 3.03Å
980S62.8Low63.8Low87 Ų8789.6 Ų89.661%0.60845%0.445SS*.THydrogen-bonded Turntrans-74-18.7-173.4490000116.9D978 L982D978-S980 VanDerWaalsContact OD1-CB 3.29Å; D978-S980 WeakPolarHBondContact OD1-CB 3.48Å; D978-S980 PolarHBondContact OD1-N 3.12Å; D978-S980 VanDerWaalsContact OD1-N 3.08Å; D978-S980 PolarHBondContact OD1-OG 3.22Å; D978-S980 PolarHBondContact OD2-OG 3.11Å; S980-L982 VanDerWaalsContact C-N 3.27Å
981E57.9Low63.3Low133 Ų13388.9 Ų88.962%0.62145%0.445SS*.THydrogen-bonded Turntrans-81.2-4.8171.9-70.1-176.1-172.700113.7
982L62.1Low62.9Low21 Ų2189.3 Ų89.311%0.1145%0.453CS..SBendtrans-79.8134.2173.3-150.984000109L225 F226 Y979 S980 E984 L986 T987L225-L982 HydrophobicContact CB-CD1 3.5Å; L225-L982 VanDerWaalsContact CB-CD1 3.5Å; F226-L982 HydrophobicContact CB-CD1 4.35Å; F226-L982 HydrophobicContact CD2-CD2 4.42Å; Y979-L982 VanDerWaalsContact O-CB 3.26Å; Y979-L982 WeakPolarHBondContact O-CB 3.35Å; Y979-L982 PolarHBondContact O-N 3.03Å; S980-L982 VanDerWaalsContact C-N 3.27Å; L982-E984 PolarHBondContact O-N 3Å; L982-L986 HydrophobicContact CD2-CB 3.93Å; L982-L986 HydrophobicContact CG-CB 4.37Å; L982-L986 HydrophobicContact CG-CD1 4.25Å; L982-T987 HydrophobicContact CD2-CG2 3.91Å
983E59.5Low62.3Low128 Ų12897 Ų9760%0.59849%0.489SS*.  trans-55.3131177.6-70.1176.3170.900110.8E985 L986E983-E985 PolarHBondContact O-N 3.28Å; E983-L986 HydrophobicContact CB-CD1 4.22Å; E983-L986 WeakPolarHBondContact O-CB 3.39Å; E983-L986 PolarHBondContact O-N 3.18Å
984E54.8Low61.8Low178 Ų17899 Ų9983%0.83249%0.487SS*.G310 helixtrans-55.7-23.3-171.7-74.5-174.2159.300113.8L982 L986 T987L982-E984 PolarHBondContact O-N 3Å; E984-L986 VanDerWaalsContact C-N 3.27Å; E984-L986 PolarHBondContact O-N 3.34Å; E984-T987 PolarHBondContact O-OG1 3.33Å
985E57.8Low61.6Low165 Ų16593.4 Ų93.477%0.77146%0.462SS*.G310 helixtrans-67.9-20.4177.3-62.7-175.2172.700113.8E983E983-E985 PolarHBondContact O-N 3.28Å
986L59.5Low61.2Low19 Ų1997.2 Ų97.210%0.09948%0.48CS..G310 helixtrans-91.1-14.2-172.9-66.7167.6000114.4F226 L982 E983 E984 H998F226-L986 HydrophobicContact CD2-CB 4.1Å; F226-L986 HydrophobicContact CD2-CD2 4.28Å; F226-L986 HydrophobicContact CE2-CB 4.13Å; F226-L986 HydrophobicContact CE2-CD2 4.01Å; L982-L986 HydrophobicContact CD2-CB 3.93Å; L982-L986 HydrophobicContact CG-CB 4.37Å; L982-L986 HydrophobicContact CG-CD1 4.25Å; E983-L986 HydrophobicContact CB-CD1 4.22Å; E983-L986 WeakPolarHBondContact O-CB 3.39Å; E983-L986 PolarHBondContact O-N 3.18Å; E984-L986 VanDerWaalsContact C-N 3.27Å; E984-L986 PolarHBondContact O-N 3.34Å; L986-H998 HydrophobicContact CD2-CB 4.24Å
987T57.8Low61Low62 Ų6295.7 Ų95.738%0.3848%0.475SS..SBendtrans-94.2-14-173.358.20000114.8L982 E984L982-T987 HydrophobicContact CD2-CG2 3.91Å; E984-T987 PolarHBondContact O-OG1 3.33Å
988C53.6Low60.5Low110 Ų11098.9 Ų98.974%0.74349%0.49SS*.SBendtrans-100.78.4-174.3-85.90000114.6
989L59.6Low60.5Low35 Ų3598.4 Ų98.418%0.18349%0.487CS..  trans-80.1120.7-178.3-62.5169.3000111.4Q994 L995L989-Q994 HydrophobicContact CD2-CB 4.17Å; L989-L995 HydrophobicContact CB-CD1 4.21Å
990R54.6Low60.2Low246 Ų246101.4 Ų101.493%0.92850%0.502SS*.  trans-113.3-12.7178.4-61.8-174.5-168.1-178.83.9114.3
991D57.3Low60.7Low103 Ų103103.3 Ų103.355%0.55150%0.499SS*.  trans-91.4124.4177.2-114.9-26.4000109.8E993 Q994 L995D991-E993 VanDerWaalsContact C-N 3.25Å; D991-E993 PolarHBondContact O-N 3.01Å; D991-Q994 HydrophobicContact CB-CB 4.42Å; D991-Q994 HydrophobicContact CB-CG 4.29Å; D991-Q994 PolarHBondContact O-N 2.87Å; D991-L995 PolarHBondContact O-N 3.13Å; D991-L995 VanDerWaalsContact O-N 3.15Å
992E58.7Low61.2Low162 Ų16298.9 Ų98.976%0.75748%0.48SS*.Hα-helixtrans-57.4-37-178-76.5-176.8160.200111.9Q994 L995 E996E992-Q994 PolarHBondContact O-N 3.29Å; E992-L995 PolarHBondContact O-N 2.84Å; E992-E996 WeakPolarHBondContact O-CB 3.36Å; E992-E996 PolarHBondContact O-N 3.44Å
993E56.5Low61.4Low166 Ų166101.2 Ų101.278%0.77649%0.489SS*.Hα-helixtrans-66.5-34.4179.7-73.2-173.9160.400113.7D991 A997D991-E993 VanDerWaalsContact C-N 3.25Å; D991-E993 PolarHBondContact O-N 3.01Å; E993-A997 WeakPolarHBondContact O-CB 3.37Å; E993-A997 PolarHBondContact O-N 2.85Å
994Q58.3Low62.1Low110 Ų110101 Ų10151%0.51449%0.488SS..Hα-helixtrans-80.4-33.7179.5-66-175.6-600111.7L989 D991 E992 H998L989-Q994 HydrophobicContact CD2-CB 4.17Å; D991-Q994 HydrophobicContact CB-CB 4.42Å; D991-Q994 HydrophobicContact CB-CG 4.29Å; D991-Q994 PolarHBondContact O-N 2.87Å; E992-Q994 PolarHBondContact O-N 3.29Å; Q994-H998 PolarHBondContact O-N 3.3Å
995L63Low62.7Low25 Ų2595.2 Ų95.213%0.13147%0.467CS..Hα-helixtrans-62.6-45.6172.9-171.279.2000111F226 H230 L989 D991 E992 M999F226-L995 HydrophobicContact CE1-CD1 4.25Å; F226-L995 HydrophobicContact CE1-CG 4.43Å; F226-L995 HydrophobicContact CE2-CD1 4.13Å; F226-L995 HydrophobicContact CZ-CD1 3.46Å; F226-L995 VanDerWaalsContact CZ-CD1 3.46Å; F226-L995 HydrophobicContact CZ-CG 4Å; H230-L995 HydrophobicContact CB-CD2 4.44Å; H230-L995 VanDerWaalsContact CE1-CD1 3.45Å; H230-L995 WeakPolarHBondContact CE1-CD1 3.29Å; H230-L995 WeakPolarHBondContact ND1-CD2 3.37Å; H230-L995 WeakPolarHBondContact NE2-CD1 3.47Å; L989-L995 HydrophobicContact CB-CD1 4.21Å; D991-L995 PolarHBondContact O-N 3.13Å; D991-L995 VanDerWaalsContact O-N 3.15Å; E992-L995 PolarHBondContact O-N 2.84Å; L995-M999 VanDerWaalsContact O-CB 3.3Å; L995-M999 WeakPolarHBondContact O-CB 3.48Å; L995-M999 PolarHBondContact O-N 2.89Å; L995-M999 VanDerWaalsContact O-N 3.07Å
996E61.7Low63.4Low109 Ų10987.5 Ų87.551%0.50943%0.432SS..Hα-helixtrans-68.7-41.6-177.7-154.5142.4-140.500111E992 H998 M999 E1000E992-E996 WeakPolarHBondContact O-CB 3.36Å; E992-E996 PolarHBondContact O-N 3.44Å; E996-H998 PolarHBondContact O-N 3.44Å; E996-M999 HydrophobicContact CG-CE 4.05Å; E996-M999 WeakPolarHBondContact O-CB 3.49Å; E996-M999 PolarHBondContact O-N 3.18Å; E996-E1000 WeakPolarHBondContact O-CB 3.44Å; E996-E1000 PolarHBondContact O-N 3.39Å
997A68.6Low63.6Low45 Ų4588.6 Ų88.637%0.37244%0.441SS..Hα-helixtrans-62.7-36.6178.500000114.7E993 K1001E993-A997 WeakPolarHBondContact O-CB 3.37Å; E993-A997 PolarHBondContact O-N 2.85Å; A997-K1001 PolarHBondContact O-N 3.31Å
998H64.5Low64.3Low79 Ų7988.8 Ų88.837%0.36644%0.444SS..Hα-helixtrans-77.8-38.5176.1-94.6-90.4000112.2L986 Q994 E996 E1000 K1001 L1002L986-H998 HydrophobicContact CD2-CB 4.24Å; Q994-H998 PolarHBondContact O-N 3.3Å; E996-H998 PolarHBondContact O-N 3.44Å; H998-E1000 PolarHBondContact O-N 3.01Å; H998-K1001 PolarHBondContact O-N 3.21Å; H998-L1002 PolarHBondContact O-N 3.44Å
999M67.7Low64.9Low37 Ų3785.9 Ų85.918%0.18242%0.421CS..Hα-helixtrans-58.2-39.6170.1-166.4176.749.300111.1F226 L995 E996 L1002 K1003F226-M999 HydrophobicContact CD1-CB 4.29Å; F226-M999 HydrophobicContact CD1-CG 4.11Å; F226-M999 HydrophobicContact CE1-CB 3.62Å; F226-M999 HydrophobicContact CE1-CG 3.83Å; F226-M999 HydrophobicContact CE1-SD 4.3Å; F226-M999 HydrophobicContact CZ-CB 4.41Å; L995-M999 VanDerWaalsContact O-CB 3.3Å; L995-M999 WeakPolarHBondContact O-CB 3.48Å; L995-M999 PolarHBondContact O-N 2.89Å; L995-M999 VanDerWaalsContact O-N 3.07Å; E996-M999 HydrophobicContact CG-CE 4.05Å; E996-M999 WeakPolarHBondContact O-CB 3.49Å; E996-M999 PolarHBondContact O-N 3.18Å; M999-L1002 PolarHBondContact O-N 3.5Å; M999-K1003 HydrophobicContact CG-CD 3.84Å; M999-K1003 VanDerWaalsContact CG-CE 3.47Å; M999-K1003 HydrophobicContact CG-CG 4.39Å; M999-K1003 VanDerWaalsContact O-CB 3.25Å; M999-K1003 WeakPolarHBondContact O-CB 3.39Å; M999-K1003 VanDerWaalsContact O-CG 3.22Å; M999-K1003 WeakPolarHBondContact O-CG 3.29Å; M999-K1003 PolarHBondContact O-N 2.87Å; M999-K1003 HydrophobicContact SD-CD 4.42Å; M999-K1003 PolarHBondContact SD-NZ 3.38Å
1000E67.5Low65.2Low109 Ų10986.6 Ų86.651%0.50942%0.424SS..Hα-helixtrans-72.4-34-175.2-162151.9-151.300112.2E996 H998 K1003 E1004E996-E1000 WeakPolarHBondContact O-CB 3.44Å; E996-E1000 PolarHBondContact O-N 3.39Å; H998-E1000 PolarHBondContact O-N 3.01Å; E1000-K1003 CarbonylContact O-C 3.58Å; E1000-K1003 PolarHBondContact O-N 3.48Å; E1000-E1004 WeakPolarHBondContact O-CA 3.45Å; E1000-E1004 WeakPolarHBondContact O-CB 3.44Å; E1000-E1004 WeakPolarHBondContact O-CG 3.38Å; E1000-E1004 PolarHBondContact O-N 2.92Å
1001K73.2Confident65.6Low127 Ų12778.8 Ų78.855%0.55240%0.398SS*.Hα-helixtrans-66.6-41.2173-74176.8-176.5171.60113.5A997 H998 S1005A997-K1001 PolarHBondContact O-N 3.31Å; H998-K1001 PolarHBondContact O-N 3.21Å; K1001-S1005 PolarHBondContact O-N 2.97Å; K1001-S1005 VanDerWaalsContact O-N 3.16Å; K1001-S1005 PolarHBondContact O-OG 2.91Å
1002L68.2Low66.2Low41 Ų4177.3 Ų77.322%0.21539%0.392CS..Hα-helixtrans-70.6-40.9177.1-81.2156000110.6Q222 L223 H998 M999 S1005 V1006Q222-L1002 HydrophobicContact CB-CD2 4.41Å; L223-L1002 HydrophobicContact CD1-CB 4.31Å; H998-L1002 PolarHBondContact O-N 3.44Å; M999-L1002 PolarHBondContact O-N 3.5Å; L1002-S1005 PolarHBondContact O-N 3.45Å; L1002-V1006 WeakPolarHBondContact O-CG2 3Å; L1002-V1006 PolarHBondContact O-N 3.06Å; L1002-V1006 VanDerWaalsContact O-N 3.14Å
1003K68.1Low66.4Low70 Ų7070.1 Ų70.130%0.30436%0.359SS..Hα-helixtrans-65-39.2171.3-75.2-179.4-179.3-176.10112.8L223 E227 M999 E1000 S1005 V1006 S1007L223-K1003 HydrophobicContact CD1-CD 4.44Å; L223-K1003 HydrophobicContact CD1-CG 3.62Å; L223-K1003 HydrophobicContact CD2-CG 3.95Å; L223-K1003 HydrophobicContact CG-CG 4.45Å; E227-K1003 WeakPolarHBondContact OE1-CE 3.43Å; E227-K1003 IonicContact OE1-NZ 3.8Å; E227-K1003 PolarHBondContact OE1-NZ 3.41Å; M999-K1003 HydrophobicContact CG-CD 3.84Å; M999-K1003 VanDerWaalsContact CG-CE 3.47Å; M999-K1003 HydrophobicContact CG-CG 4.39Å; M999-K1003 VanDerWaalsContact O-CB 3.25Å; M999-K1003 WeakPolarHBondContact O-CB 3.39Å; M999-K1003 VanDerWaalsContact O-CG 3.22Å; M999-K1003 WeakPolarHBondContact O-CG 3.29Å; M999-K1003 PolarHBondContact O-N 2.87Å; M999-K1003 HydrophobicContact SD-CD 4.42Å; M999-K1003 PolarHBondContact SD-NZ 3.38Å; E1000-K1003 CarbonylContact O-C 3.58Å; E1000-K1003 PolarHBondContact O-N 3.48Å; K1003-S1005 VanDerWaalsContact C-N 3.28Å; K1003-S1005 PolarHBondContact O-N 3.43Å; K1003-V1006 PolarHBondContact O-N 2.85Å; K1003-S1007 WeakPolarHBondContact O-CA 3.35Å; K1003-S1007 WeakPolarHBondContact O-CB 3.44Å; K1003-S1007 PolarHBondContact O-N 3.37Å
1004E73.3Confident66.3Low123 Ų12369.2 Ų69.258%0.57536%0.355SS*.Hα-helixtrans-63.9-36.6176.8-86.4-179.5165.400111.3E1000 S1008E1000-E1004 WeakPolarHBondContact O-CA 3.45Å; E1000-E1004 WeakPolarHBondContact O-CB 3.44Å; E1000-E1004 WeakPolarHBondContact O-CG 3.38Å; E1000-E1004 PolarHBondContact O-N 2.92Å; E1004-S1008 WeakPolarHBondContact O-CB 3.29Å; E1004-S1008 PolarHBondContact O-N 2.95Å; E1004-S1008 PolarHBondContact O-OG 3.49Å; E1004-S1008 VanDerWaalsContact O-OG 3.08Å
1005S66.9Low66.3Low56 Ų5673.1 Ų73.139%0.39237%0.365SS..Hα-helixtrans-68.8-44177.1-60.10000111.6K1001 L1002 K1003 S1008K1001-S1005 PolarHBondContact O-N 2.97Å; K1001-S1005 VanDerWaalsContact O-N 3.16Å; K1001-S1005 PolarHBondContact O-OG 2.91Å; L1002-S1005 PolarHBondContact O-N 3.45Å; K1003-S1005 VanDerWaalsContact C-N 3.28Å; K1003-S1005 PolarHBondContact O-N 3.43Å; S1005-S1008 PolarHBondContact O-OG 3.34Å
1006V72.8Confident65.9Low4 Ų473.9 Ų73.92%0.02437%0.37CS..Hα-helixtrans-67.7-48174175.10000110.8L216 K219 R220 L223 L1002 K1003 S1008 L1009 E1010L216-V1006 HydrophobicContact CD1-CG1 3.87Å; L216-V1006 WeakPolarHBondContact CD1-O 3.41Å; K219-V1006 HydrophobicContact CB-CG2 3.61Å; K219-V1006 WeakPolarHBondContact O-CG2 2.74Å; R220-V1006 HydrophobicContact CG-CG1 4.03Å; L223-V1006 HydrophobicContact CD2-CB 4.34Å; L223-V1006 HydrophobicContact CD2-CG1 4.45Å; L223-V1006 HydrophobicContact CD2-CG2 4.1Å; L1002-V1006 WeakPolarHBondContact O-CG2 3Å; L1002-V1006 PolarHBondContact O-N 3.06Å; L1002-V1006 VanDerWaalsContact O-N 3.14Å; K1003-V1006 PolarHBondContact O-N 2.85Å; V1006-S1008 PolarHBondContact O-N 2.86Å; V1006-L1009 PolarHBondContact O-N 3.39Å; V1006-E1010 WeakPolarHBondContact O-CB 3.49Å; V1006-E1010 PolarHBondContact O-N 3.49Å
1007S64.4Low65.4Low41 Ų4172.7 Ų72.729%0.28737%0.371SS..Hα-helixtrans-65.1-33.9-179.2-172.70000112.6K1003 L1009 E1010 E1011K1003-S1007 WeakPolarHBondContact O-CA 3.35Å; K1003-S1007 WeakPolarHBondContact O-CB 3.44Å; K1003-S1007 PolarHBondContact O-N 3.37Å; S1007-L1009 VanDerWaalsContact C-N 3.3Å; S1007-L1009 PolarHBondContact O-N 2.96Å; S1007-E1010 CarbonylContact O-C 3.53Å; S1007-E1010 PolarHBondContact O-N 3.16Å; S1007-E1011 WeakPolarHBondContact O-CA 3.28Å; S1007-E1011 WeakPolarHBondContact O-CB 3.48Å; S1007-E1011 WeakPolarHBondContact O-CG 3.35Å; S1007-E1011 PolarHBondContact O-N 2.96Å
1008S72.9Confident64.7Low66 Ų6674.6 Ų74.646%0.46238%0.38SS..Hα-helixtrans-64.7-37.4175.564.40000111.7E1004 S1005 V1006 V1012E1004-S1008 WeakPolarHBondContact O-CB 3.29Å; E1004-S1008 PolarHBondContact O-N 2.95Å; E1004-S1008 PolarHBondContact O-OG 3.49Å; E1004-S1008 VanDerWaalsContact O-OG 3.08Å; S1005-S1008 PolarHBondContact O-OG 3.34Å; V1006-S1008 PolarHBondContact O-N 2.86Å; S1008-V1012 VanDerWaalsContact O-CG2 3.23Å; S1008-V1012 WeakPolarHBondContact O-CG2 3.46Å; S1008-V1012 PolarHBondContact O-N 3.44Å
1009L64.8Low64.5Low50 Ų5071.4 Ų71.426%0.26237%0.365SS..Hα-helixtrans-76-39.8173.3-70.7165.6000111.3L216 V1006 S1007 V1012 L1013L216-L1009 HydrophobicContact CD1-CB 4.09Å; V1006-L1009 PolarHBondContact O-N 3.39Å; S1007-L1009 VanDerWaalsContact C-N 3.3Å; S1007-L1009 PolarHBondContact O-N 2.96Å; L1009-V1012 PolarHBondContact O-N 2.96Å; L1009-L1013 WeakPolarHBondContact O-CB 3.24Å; L1009-L1013 PolarHBondContact O-N 3.44Å
1010E66Low64.3Low49 Ų4971.9 Ų71.923%0.22937%0.369CS..Hα-helixtrans-66.5-32.9175.2-115158.8-15000113.5L216 R220 V1006 S1007 L1013 Q1014L216-E1010 HydrophobicContact CD1-CB 4.04Å; L216-E1010 HydrophobicContact CD1-CG 3.6Å; L216-E1010 HydrophobicContact CD2-CG 3.77Å; L216-E1010 HydrophobicContact CG-CG 4.26Å; R220-E1010 IonicContact CZ-OE1 3.98Å; R220-E1010 VanDerWaalsContact CZ-OE1 3.29Å; R220-E1010 IonicContact NE-OE1 2.76Å; R220-E1010 PolarHBondContact NE-OE1 3.2Å; R220-E1010 IonicContact NH2-OE1 3.48Å; R220-E1010 PolarHBondContact NH2-OE1 3.36Å; V1006-E1010 WeakPolarHBondContact O-CB 3.49Å; V1006-E1010 PolarHBondContact O-N 3.49Å; S1007-E1010 CarbonylContact O-C 3.53Å; S1007-E1010 PolarHBondContact O-N 3.16Å; E1010-L1013 CarbonylContact O-C 3.56Å; E1010-L1013 WeakPolarHBondContact O-CB 3.44Å; E1010-L1013 PolarHBondContact O-N 2.88Å; E1010-Q1014 VanDerWaalsContact O-CB 3.25Å; E1010-Q1014 WeakPolarHBondContact O-CB 3.45Å; E1010-Q1014 VanDerWaalsContact O-CG 3.31Å; E1010-Q1014 WeakPolarHBondContact O-CG 3.44Å; E1010-Q1014 PolarHBondContact O-N 2.99Å
1011E64.3Low64.2Low82 Ų8271.8 Ų71.838%0.38337%0.371SS..Hα-helixtrans-75.2-39.9177.1-84.3-172-166.700110.3S1007 L1013 Q1014 R1015S1007-E1011 WeakPolarHBondContact O-CA 3.28Å; S1007-E1011 WeakPolarHBondContact O-CB 3.48Å; S1007-E1011 WeakPolarHBondContact O-CG 3.35Å; S1007-E1011 PolarHBondContact O-N 2.96Å; E1011-L1013 PolarHBondContact O-N 2.93Å; E1011-Q1014 PolarHBondContact O-N 3.14Å; E1011-R1015 WeakPolarHBondContact O-CB 3.39Å; E1011-R1015 WeakPolarHBondContact O-CD 3.41Å; E1011-R1015 WeakPolarHBondContact O-CG 3.3Å; E1011-R1015 PolarHBondContact O-N 3.29Å; E1011-R1015 IonicContact OE2-CZ 2.64Å; E1011-R1015 IonicContact OE2-NE 3.08Å; E1011-R1015 IonicContact OE2-NH2 3.87Å; E1011-R1015 PolarHBondContact OE2-NH2 3.39Å
1012V68.5Low63.7Low72 Ų7272.3 Ų72.344%0.43637%0.374SS..Hα-helixtrans-62.9-37.6171178.80000109.5L212 S1008 L1009 T1016L212-V1012 HydrophobicContact CD1-CG1 3.96Å; L212-V1012 HydrophobicContact CD2-CB 3.91Å; L212-V1012 HydrophobicContact CD2-CG1 3.41Å; L212-V1012 VanDerWaalsContact CD2-CG1 3.41Å; L212-V1012 HydrophobicContact CG-CG1 4.35Å; S1008-V1012 VanDerWaalsContact O-CG2 3.23Å; S1008-V1012 WeakPolarHBondContact O-CG2 3.46Å; S1008-V1012 PolarHBondContact O-N 3.44Å; L1009-V1012 PolarHBondContact O-N 2.96Å; V1012-T1016 WeakPolarHBondContact O-CB 3.38Å; V1012-T1016 PolarHBondContact O-N 3.43Å; V1012-T1016 PolarHBondContact O-OG1 2.89Å
1013L62.8Low63.5Low11 Ų1170.3 Ų70.36%0.05836%0.363CS..Hα-helixtrans-69.7-40.2174.2-158.591.6000113.3Y209 L212 V213 L216 L1009 E1010 E1011 T1016Y209-L1013 HydrophobicContact CD2-CG 4.31Å; Y209-L1013 HydrophobicContact CE2-CD1 4.46Å; Y209-L1013 HydrophobicContact CE2-CD2 4.23Å; Y209-L1013 HydrophobicContact CE2-CG 3.81Å; Y209-L1013 WeakPolarHBondContact CE2-O 3.44Å; Y209-L1013 WeakPolarHBondContact O-CD1 3.05Å; L212-L1013 VanDerWaalsContact C-CD1 3.44Å; L212-L1013 HydrophobicContact CB-CD1 3.21Å; L212-L1013 HydrophobicContact CB-CG 4.49Å; L212-L1013 HydrophobicContact CG-CD1 4.49Å; V213-L1013 HydrophobicContact CG2-CD1 3.75Å; V213-L1013 HydrophobicContact CG2-CD2 4.21Å; L216-L1013 HydrophobicContact CD2-CD2 4.04Å; L1009-L1013 WeakPolarHBondContact O-CB 3.24Å; L1009-L1013 PolarHBondContact O-N 3.44Å; E1010-L1013 CarbonylContact O-C 3.56Å; E1010-L1013 WeakPolarHBondContact O-CB 3.44Å; E1010-L1013 PolarHBondContact O-N 2.88Å; E1011-L1013 PolarHBondContact O-N 2.93Å; L1013-T1016 CarbonylContact O-C 3.54Å
1014Q55.7Low63.4Low147 Ų14770.2 Ų70.269%0.68737%0.366SS*.Hα-helixtrans-80.3-32.4-178.4-80.8-170.24.700113E1010 E1011 T1016E1010-Q1014 VanDerWaalsContact O-CB 3.25Å; E1010-Q1014 WeakPolarHBondContact O-CB 3.45Å; E1010-Q1014 VanDerWaalsContact O-CG 3.31Å; E1010-Q1014 WeakPolarHBondContact O-CG 3.44Å; E1010-Q1014 PolarHBondContact O-N 2.99Å; E1011-Q1014 PolarHBondContact O-N 3.14Å; Q1014-T1016 PolarHBondContact O-N 3.38Å
1015R58.4Low63.3Low193 Ų19370.5 Ų70.573%0.72837%0.367SS*.Hα-helixtrans-67.9-22.9172.3-71.1171.2-171.7-1647.2111.5E1011E1011-R1015 WeakPolarHBondContact O-CB 3.39Å; E1011-R1015 WeakPolarHBondContact O-CD 3.41Å; E1011-R1015 WeakPolarHBondContact O-CG 3.3Å; E1011-R1015 PolarHBondContact O-N 3.29Å; E1011-R1015 IonicContact OE2-CZ 2.64Å; E1011-R1015 IonicContact OE2-NE 3.08Å; E1011-R1015 IonicContact OE2-NH2 3.87Å; E1011-R1015 PolarHBondContact OE2-NH2 3.39Å
1016T52.8Low63.5Low40 Ų4073 Ų7325%0.24537%0.371CS..SBendtrans-89.1100.5168.3-45.70000106.8Y209 V1012 L1013 Q1014Y209-T1016 VanDerWaalsContact CD2-O 3.28Å; Y209-T1016 WeakPolarHBondContact CD2-O 3.46Å; Y209-T1016 WeakPolarHBondContact CE2-O 3.35Å; V1012-T1016 WeakPolarHBondContact O-CB 3.38Å; V1012-T1016 PolarHBondContact O-N 3.43Å; V1012-T1016 PolarHBondContact O-OG1 2.89Å; L1013-T1016 CarbonylContact O-C 3.54Å; Q1014-T1016 PolarHBondContact O-N 3.38Å
1017T51.3Low63.8Low84 Ų8474.4 Ų74.452%0.51538%0.377SS..  trans-47.7134.1-177-8.90000110.7P1019T1017-P1019 WeakPolarHBondContact O-CD 3.45Å; T1017-P1019 WeakPolarHBondContact O-CG 3.33Å
1018P55Low64.4Low86 Ų8681.2 Ų81.256%0.55840%0.397SS*.  trans-62105.9172.321.7-29.6000107.6Y209Y209-P1018 HydrophobicContact CE1-CB 4.24Å; Y209-P1018 HydrophobicContact CE2-CB 3.94Å
1019P60.5Low64.8Low11 Ų1182.5 Ų82.57%0.07140%0.398CS..  trans-79.5157.7-167.3-15.235.6000107.9E205 A206 T1017 L1021E205-P1019 HydrophobicContact CB-CB 3.78Å; E205-P1019 HydrophobicContact CB-CG 3.66Å; E205-P1019 VanDerWaalsContact O-CG 3.25Å; E205-P1019 WeakPolarHBondContact O-CG 3.18Å; A206-P1019 HydrophobicContact CB-CB 3.7Å; A206-P1019 HydrophobicContact CB-CG 4.22Å; T1017-P1019 WeakPolarHBondContact O-CD 3.45Å; T1017-P1019 WeakPolarHBondContact O-CG 3.33Å; P1019-L1021 PolarHBondContact O-N 3.04Å
1020N63.8Low65.6Low48 Ų4880.5 Ų80.526%0.25739%0.389SS..  trans-62.699.9175.6174.213.3000109E202 K1022 A1023E202-N1020 PolarHBondContact OE2-ND2 3.17Å; N1020-K1022 PolarHBondContact O-N 3.16Å; N1020-K1022 VanDerWaalsContact O-N 3.11Å; N1020-K1022 WeakPolarHBondContact OD1-CA 3.28Å; N1020-K1022 WeakPolarHBondContact OD1-CB 3.37Å; N1020-K1022 PolarHBondContact OD1-N 3.41Å; N1020-K1022 VanDerWaalsContact OD1-N 3.11Å; N1020-A1023 HydrophobicContact CB-CB 3.95Å; N1020-A1023 WeakPolarHBondContact O-CA 3.41Å; N1020-A1023 WeakPolarHBondContact O-CB 3.4Å; N1020-A1023 PolarHBondContact O-N 3.44Å; N1020-A1023 PolarHBondContact OD1-N 3.14Å
1021L63.7Low66.4Low107 Ų10784.3 Ų84.356%0.5640%0.404SS*.THydrogen-bonded Turntrans-61.4-22.1179.6-66.2167000111.4A206 P1019A206-L1021 HydrophobicContact CB-CD2 4.43Å; P1019-L1021 PolarHBondContact O-N 3.04Å
1022K64.2Low67.4Low137 Ų13785.2 Ų85.260%0.59641%0.412SS*.THydrogen-bonded Turntrans-83.8-5.3170.6-58.3-175.7177.8-178.30114.1N1020 L1024 E1025 K1026N1020-K1022 PolarHBondContact O-N 3.16Å; N1020-K1022 VanDerWaalsContact O-N 3.11Å; N1020-K1022 WeakPolarHBondContact OD1-CA 3.28Å; N1020-K1022 WeakPolarHBondContact OD1-CB 3.37Å; N1020-K1022 PolarHBondContact OD1-N 3.41Å; N1020-K1022 VanDerWaalsContact OD1-N 3.11Å; K1022-L1024 PolarHBondContact O-N 2.87Å; K1022-E1025 PolarHBondContact O-N 3.48Å; K1022-E1025 VanDerWaalsContact O-N 3.09Å; K1022-K1026 PolarHBondContact O-N 3.41Å
1023A64.4Low68.1Low0 Ų088 Ų880%042%0.418CS..Hα-helixtrans-61.4-28.3174.300000111.4V199 E202 N1020 E1025 M1027V199-A1023 HydrophobicContact CG1-CB 4.45Å; E202-A1023 HydrophobicContact CB-CB 3.79Å; N1020-A1023 HydrophobicContact CB-CB 3.95Å; N1020-A1023 WeakPolarHBondContact O-CA 3.41Å; N1020-A1023 WeakPolarHBondContact O-CB 3.4Å; N1020-A1023 PolarHBondContact O-N 3.44Å; N1020-A1023 PolarHBondContact OD1-N 3.14Å; A1023-E1025 VanDerWaalsContact C-N 3.31Å; A1023-E1025 PolarHBondContact O-N 3.07Å; A1023-M1027 WeakPolarHBondContact O-CB 3.48Å; A1023-M1027 PolarHBondContact O-N 2.86Å
1024L64.9Low69.3Low67 Ų6788.1 Ų88.135%0.35142%0.419SS..Hα-helixtrans-59.4-39.7172.4-77161.2000112.5K203 K1022K203-L1024 HydrophobicContact CD-CD2 3.65Å; K203-L1024 HydrophobicContact CG-CD2 3.63Å; K203-L1024 HydrophobicContact CG-CG 4.19Å; K1022-L1024 PolarHBondContact O-N 2.87Å
1025E71.3Confident70.9Confident130 Ų13086.1 Ų86.161%0.60741%0.41SS*.Hα-helixtrans-81.5-49.7178.4-65.4179.8159.800111.5K1022 A1023 M1027 R1028K1022-E1025 PolarHBondContact O-N 3.48Å; K1022-E1025 VanDerWaalsContact O-N 3.09Å; A1023-E1025 VanDerWaalsContact C-N 3.31Å; A1023-E1025 PolarHBondContact O-N 3.07Å; E1025-M1027 PolarHBondContact O-N 3.29Å; E1025-M1027 VanDerWaalsContact O-N 3.15Å; E1025-R1028 WeakPolarHBondContact O-CB 3.32Å; E1025-R1028 PolarHBondContact O-N 3.02Å
1026K71.5Confident72.4Confident109 Ų10978.8 Ų78.847%0.47439%0.394SS..Hα-helixtrans-58.6-29.9179.4-71.5-175.1-177.3179.10113.4V199 K1022 R1028 D1029 V1030V199-K1026 HydrophobicContact CG1-CB 4.21Å; K1022-K1026 PolarHBondContact O-N 3.41Å; K1026-R1028 VanDerWaalsContact C-N 3.26Å; K1026-R1028 PolarHBondContact O-N 3.33Å; K1026-D1029 PolarHBondContact O-N 3.43Å; K1026-V1030 WeakPolarHBondContact O-CG2 3.41Å; K1026-V1030 PolarHBondContact O-N 2.85Å; K1026-V1030 VanDerWaalsContact O-N 3.08Å
1027M78.3Confident74.1Confident32 Ų3278.5 Ų78.516%0.15839%0.392CS..Hα-helixtrans-61.5-34.4174.917752.570.600112.4R196 V199 S200 A1023 E1025 K1031R196-M1027 HydrophobicContact CG-SD 4.42Å; V199-M1027 HydrophobicContact CB-CE 3.9Å; V199-M1027 HydrophobicContact CG1-CB 4.13Å; V199-M1027 HydrophobicContact CG1-CE 3.96Å; S200-M1027 VanDerWaalsContact CB-CE 3.43Å; A1023-M1027 WeakPolarHBondContact O-CB 3.48Å; A1023-M1027 PolarHBondContact O-N 2.86Å; E1025-M1027 PolarHBondContact O-N 3.29Å; E1025-M1027 VanDerWaalsContact O-N 3.15Å; M1027-K1031 VanDerWaalsContact O-CB 3.31Å; M1027-K1031 WeakPolarHBondContact O-CB 3.43Å; M1027-K1031 PolarHBondContact O-N 2.97Å
1028R78.1Confident75.9Confident184 Ų18476.1 Ų76.169%0.69438%0.377SS*.Hα-helixtrans-66.8-49.2177.1-62.7-175.6-170.6176.12.9110.1E1025 K1026 V1030 K1031 D1032E1025-R1028 WeakPolarHBondContact O-CB 3.32Å; E1025-R1028 PolarHBondContact O-N 3.02Å; K1026-R1028 VanDerWaalsContact C-N 3.26Å; K1026-R1028 PolarHBondContact O-N 3.33Å; R1028-V1030 PolarHBondContact O-N 3.01Å; R1028-K1031 WeakPolarHBondContact O-CB 3.48Å; R1028-K1031 PolarHBondContact O-N 3.41Å; R1028-K1031 VanDerWaalsContact O-N 3.16Å; R1028-D1032 PolarHBondContact O-N 3.15Å
1029D79.9Confident77.7Confident93 Ų9377.1 Ų77.150%0.49737%0.374SS..Hα-helixtrans-60.9-42.2-178.9-61-19000113.4K1026 K1031 D1032 K1033K1026-D1029 PolarHBondContact O-N 3.43Å; D1029-K1031 VanDerWaalsContact C-N 3.34Å; D1029-D1032 PolarHBondContact O-N 3.09Å; D1029-K1033 WeakPolarHBondContact O-CB 3.43Å; D1029-K1033 WeakPolarHBondContact O-CG 3.45Å; D1029-K1033 PolarHBondContact O-N 3.38Å
1030V82.4Confident79.1Confident9 Ų978.2 Ų78.26%0.05538%0.384CS..Hα-helixtrans-69.9-34.1179.4175.10000111.1E195 R196 V199 K1026 R1028 L1034E195-V1030 HydrophobicContact CB-CG1 4.4Å; E195-V1030 HydrophobicContact CG-CG1 4.2Å; E195-V1030 HydrophobicContact CG-CG2 4.27Å; R196-V1030 HydrophobicContact CB-CG1 3.86Å; R196-V1030 HydrophobicContact CG-CG1 4.39Å; V199-V1030 HydrophobicContact CG2-CG2 4.45Å; K1026-V1030 WeakPolarHBondContact O-CG2 3.41Å; K1026-V1030 PolarHBondContact O-N 2.85Å; K1026-V1030 VanDerWaalsContact O-N 3.08Å; R1028-V1030 PolarHBondContact O-N 3.01Å; V1030-L1034 WeakPolarHBondContact O-CB 3.46Å; V1030-L1034 PolarHBondContact O-N 3.43Å
1031K83.1Confident80.5Confident128 Ų12877.6 Ų77.656%0.55738%0.38SS*.Hα-helixtrans-64.7-44.8174.9-173.4-176.9176.4-171.10111.2M1027 R1028 D1029 L1034 Q1035M1027-K1031 VanDerWaalsContact O-CB 3.31Å; M1027-K1031 WeakPolarHBondContact O-CB 3.43Å; M1027-K1031 PolarHBondContact O-N 2.97Å; R1028-K1031 WeakPolarHBondContact O-CB 3.48Å; R1028-K1031 PolarHBondContact O-N 3.41Å; R1028-K1031 VanDerWaalsContact O-N 3.16Å; D1029-K1031 VanDerWaalsContact C-N 3.34Å; K1031-L1034 PolarHBondContact O-N 3.11Å; K1031-Q1035 PolarHBondContact O-N 3.48Å
1032D85.1Confident81.9Confident102 Ų10275.8 Ų75.855%0.54537%0.37SS..Hα-helixtrans-67.6-42-179.6-65.8-12.8000111.6R1028 D1029 L1034 Q1035 G1036R1028-D1032 PolarHBondContact O-N 3.15Å; D1029-D1032 PolarHBondContact O-N 3.09Å; D1032-L1034 PolarHBondContact O-N 2.91Å; D1032-Q1035 PolarHBondContact O-N 2.81Å; D1032-G1036 PolarHBondContact O-N 3.3Å
1033K83.5Confident83.2Confident129 Ų12971.6 Ų71.656%0.56136%0.361SS*.Hα-helixtrans-60.1-43.7172.8-74.7173.7-176.5172.40112.5D1029 Q1035 G1036 V1037D1029-K1033 WeakPolarHBondContact O-CB 3.43Å; D1029-K1033 WeakPolarHBondContact O-CG 3.45Å; D1029-K1033 PolarHBondContact O-N 3.38Å; K1033-Q1035 VanDerWaalsContact C-N 3.32Å; K1033-Q1035 PolarHBondContact O-N 2.99Å; K1033-G1036 PolarHBondContact O-N 2.94Å; K1033-V1037 WeakPolarHBondContact O-CG2 3.36Å; K1033-V1037 PolarHBondContact O-N 3.11Å; K1033-V1037 VanDerWaalsContact O-N 3.07Å
1034L87.2Confident84.5Confident15 Ų1572.2 Ų72.28%0.07937%0.366CS..Hα-helixtrans-64.7-39.1178.7179.965.5000111.6A192 R196 V1030 K1031 D1032 T1038A192-L1034 HydrophobicContact CB-CD1 3.85Å; R196-L1034 HydrophobicContact CB-CD2 4.44Å; V1030-L1034 WeakPolarHBondContact O-CB 3.46Å; V1030-L1034 PolarHBondContact O-N 3.43Å; K1031-L1034 PolarHBondContact O-N 3.11Å; D1032-L1034 PolarHBondContact O-N 2.91Å; L1034-T1038 VanDerWaalsContact O-CB 3.31Å; L1034-T1038 WeakPolarHBondContact O-CB 3.37Å; L1034-T1038 PolarHBondContact O-N 3.49Å; L1034-T1038 PolarHBondContact O-OG1 3.23Å
1035Q89.3Confident85.8Confident105 Ų10570.4 Ų70.449%0.49136%0.357SS..Hα-helixtrans-62.1-50.7176.9-175.3170.2-10.400110.8K1031 D1032 K1033 V1037 T1038 E1039K1031-Q1035 PolarHBondContact O-N 3.48Å; D1032-Q1035 PolarHBondContact O-N 2.81Å; K1033-Q1035 VanDerWaalsContact C-N 3.32Å; K1033-Q1035 PolarHBondContact O-N 2.99Å; Q1035-V1037 PolarHBondContact O-N 3.29Å; Q1035-T1038 PolarHBondContact O-N 3.02Å; Q1035-T1038 VanDerWaalsContact O-N 3.15Å; Q1035-E1039 VanDerWaalsContact CG-OE1 3.32Å; Q1035-E1039 WeakPolarHBondContact CG-OE1 3.18Å; Q1035-E1039 PolarHBondContact NE2-OE1 3Å; Q1035-E1039 VanDerWaalsContact NE2-OE1 3.1Å; Q1035-E1039 WeakPolarHBondContact O-CG 3.49Å; Q1035-E1039 PolarHBondContact O-N 3.39Å
1036G89.3Confident86.8Confident39 Ų3972.1 Ų72.140%0.40236%0.358SS..Hα-helixtrans-60.9-39.7178.400000114D1032 K1033 A1040D1032-G1036 PolarHBondContact O-N 3.3Å; K1033-G1036 PolarHBondContact O-N 2.94Å; G1036-A1040 WeakPolarHBondContact O-CB 3.25Å; G1036-A1040 PolarHBondContact O-N 2.97Å; G1036-A1040 VanDerWaalsContact O-N 3.07Å
1037V89.5Confident87.8Confident33 Ų3369.1 Ų69.120%0.235%0.354CS..Hα-helixtrans-69.6-35.1176.81750000112K188 K189 K1033 Q1035 F1041K188-V1037 HydrophobicContact CB-CG1 3.88Å; K189-V1037 HydrophobicContact CB-CG1 3.92Å; K1033-V1037 WeakPolarHBondContact O-CG2 3.36Å; K1033-V1037 PolarHBondContact O-N 3.11Å; K1033-V1037 VanDerWaalsContact O-N 3.07Å; Q1035-V1037 PolarHBondContact O-N 3.29Å; V1037-F1041 WeakPolarHBondContact O-CB 3.46Å; V1037-F1041 PolarHBondContact O-N 2.98Å
1038T89.9Confident88.6Confident34 Ų3468.2 Ų68.221%0.20935%0.351CS..Hα-helixtrans-68.6-44.4177.4-58.50000111L1034 Q1035 A1040 F1041 D1042L1034-T1038 VanDerWaalsContact O-CB 3.31Å; L1034-T1038 WeakPolarHBondContact O-CB 3.37Å; L1034-T1038 PolarHBondContact O-N 3.49Å; L1034-T1038 PolarHBondContact O-OG1 3.23Å; Q1035-T1038 PolarHBondContact O-N 3.02Å; Q1035-T1038 VanDerWaalsContact O-N 3.15Å; T1038-A1040 VanDerWaalsContact C-N 3.34Å; T1038-A1040 PolarHBondContact O-N 3.47Å; T1038-F1041 PolarHBondContact O-N 2.89Å; T1038-D1042 PolarHBondContact O-N 3.24Å
1039E92.2Very high89.3Confident107 Ų10767.4 Ų67.450%0.535%0.349SS..Hα-helixtrans-61.2-41.3175.7-71.4172.5-170.800111.8Q1035 D1042 A1043Q1035-E1039 VanDerWaalsContact CG-OE1 3.32Å; Q1035-E1039 WeakPolarHBondContact CG-OE1 3.18Å; Q1035-E1039 PolarHBondContact NE2-OE1 3Å; Q1035-E1039 VanDerWaalsContact NE2-OE1 3.1Å; Q1035-E1039 WeakPolarHBondContact O-CG 3.49Å; Q1035-E1039 PolarHBondContact O-N 3.39Å; E1039-D1042 PolarHBondContact O-N 2.98Å; E1039-A1043 VanDerWaalsContact O-CB 3.31Å; E1039-A1043 WeakPolarHBondContact O-CB 3.48Å; E1039-A1043 PolarHBondContact O-N 3.21Å
1040A90.6Very high89.9Confident34 Ų3471.1 Ų71.128%0.28136%0.356SS..Hα-helixtrans-65.1-38.8175.100000113.1G1036 T1038 S1044G1036-A1040 WeakPolarHBondContact O-CB 3.25Å; G1036-A1040 PolarHBondContact O-N 2.97Å; G1036-A1040 VanDerWaalsContact O-N 3.07Å; T1038-A1040 VanDerWaalsContact C-N 3.34Å; T1038-A1040 PolarHBondContact O-N 3.47Å; A1040-S1044 WeakPolarHBondContact O-CB 3.49Å; A1040-S1044 PolarHBondContact O-N 3.05Å; A1040-S1044 PolarHBondContact O-OG 2.91Å
1041F92.8Very high90.4Very high36 Ų3671.9 Ų71.916%0.15836%0.361CS..Hα-helixtrans-64.8-43.3173.5173.8-101.5000112T182 H185 F186 K189 V1037 T1038 A1043 S1044 T1045T182-F1041 HydrophobicContact CG2-CD2 4.42Å; T182-F1041 HydrophobicContact CG2-CE2 3.89Å; H185-F1041 HydrophobicContact CB-CB 4.11Å; H185-F1041 HydrophobicContact CB-CD2 4.21Å; F186-F1041 HydrophobicContact CB-CD2 4.07Å; F186-F1041 HydrophobicContact CB-CE2 3.76Å; F186-F1041 AromaticContact CD2-CE2 3.99Å; F186-F1041 HydrophobicContact CD2-CE2 3.99Å; F186-F1041 HydrophobicContact CD2-CZ 4.17Å; F186-F1041 HydrophobicContact CG-CE2 4.36Å; K189-F1041 HydrophobicContact CD-CB 4.32Å; K189-F1041 HydrophobicContact CD-CD1 4.01Å; K189-F1041 HydrophobicContact CD-CG 4.16Å; V1037-F1041 WeakPolarHBondContact O-CB 3.46Å; V1037-F1041 PolarHBondContact O-N 2.98Å; T1038-F1041 PolarHBondContact O-N 2.89Å; F1041-A1043 VanDerWaalsContact C-N 3.34Å; F1041-S1044 WeakPolarHBondContact CA-OG 3.36Å; F1041-S1044 PolarHBondContact O-N 3.49Å; F1041-S1044 PolarHBondContact O-OG 3.24Å; F1041-T1045 WeakPolarHBondContact O-CB 3.39Å; F1041-T1045 PolarHBondContact O-N 3.05Å; F1041-T1045 PolarHBondContact O-OG1 3.31Å
1042D91.7Very high90.9Very high68 Ų6868.6 Ų68.636%0.36435%0.349SS..Hα-helixtrans-70.2-34.1179.7-66.4-19.6000111.2T1038 E1039 R1046T1038-D1042 PolarHBondContact O-N 3.24Å; E1039-D1042 PolarHBondContact O-N 2.98Å; D1042-R1046 WeakPolarHBondContact O-CB 3.31Å; D1042-R1046 WeakPolarHBondContact O-CG 3.43Å; D1042-R1046 PolarHBondContact O-N 3.44Å; D1042-R1046 VanDerWaalsContact O-N 3.07Å; D1042-R1046 PolarHBondContact O-NE 3.11Å
1043A92.7Very high91.4Very high49 Ų4969.6 Ų69.641%0.40535%0.351SS..Hα-helixtrans-65-49.9172.400000112.3E1039 F1041 T1045 R1046 A1047E1039-A1043 VanDerWaalsContact O-CB 3.31Å; E1039-A1043 WeakPolarHBondContact O-CB 3.48Å; E1039-A1043 PolarHBondContact O-N 3.21Å; F1041-A1043 VanDerWaalsContact C-N 3.34Å; A1043-T1045 PolarHBondContact O-N 3.34Å; A1043-R1046 PolarHBondContact O-N 2.87Å; A1043-A1047 PolarHBondContact O-N 3.03Å
1044S91.7Very high91.8Very high13 Ų1366.3 Ų66.39%0.09134%0.337CS..Hα-helixtrans-62.5-40.4177.148.50000112.2T182 A1040 F1041 R1046 A1047 A1048T182-S1044 PolarHBondContact OG1-O 3.33Å; A1040-S1044 WeakPolarHBondContact O-CB 3.49Å; A1040-S1044 PolarHBondContact O-N 3.05Å; A1040-S1044 PolarHBondContact O-OG 2.91Å; F1041-S1044 WeakPolarHBondContact CA-OG 3.36Å; F1041-S1044 PolarHBondContact O-N 3.49Å; F1041-S1044 PolarHBondContact O-OG 3.24Å; S1044-R1046 PolarHBondContact O-N 3.38Å; S1044-A1047 WeakPolarHBondContact O-CB 3.42Å; S1044-A1047 PolarHBondContact O-N 3.29Å; S1044-A1048 WeakPolarHBondContact O-CB 3.34Å; S1044-A1048 PolarHBondContact O-N 3.32Å
1045T91.6Very high92.2Very high29 Ų2966.3 Ų66.318%0.17834%0.337CS..Hα-helixtrans-61.9-42.2175.3-57.90000111.9F1041 A1043 A1048 R1049F1041-T1045 WeakPolarHBondContact O-CB 3.39Å; F1041-T1045 PolarHBondContact O-N 3.05Å; F1041-T1045 PolarHBondContact O-OG1 3.31Å; A1043-T1045 PolarHBondContact O-N 3.34Å; T1045-A1048 PolarHBondContact O-N 3.31Å; T1045-R1049 WeakPolarHBondContact O-CG 3.45Å; T1045-R1049 PolarHBondContact O-N 3.43Å
1046R93.1Very high92.4Very high166 Ų16665.3 Ų65.363%0.62633%0.332SS*.Hα-helixtrans-64.5-41.7174.6-77.6-179.1-71.4-152.71.4111.9D1042 A1043 S1044 R1049 R1050D1042-R1046 WeakPolarHBondContact O-CB 3.31Å; D1042-R1046 WeakPolarHBondContact O-CG 3.43Å; D1042-R1046 PolarHBondContact O-N 3.44Å; D1042-R1046 VanDerWaalsContact O-N 3.07Å; D1042-R1046 PolarHBondContact O-NE 3.11Å; A1043-R1046 PolarHBondContact O-N 2.87Å; S1044-R1046 PolarHBondContact O-N 3.38Å; R1046-R1049 PolarHBondContact O-N 3.05Å; R1046-R1050 PolarHBondContact O-N 3.12Å
1047A92.4Very high92.6Very high46 Ų4669.3 Ų69.338%0.3834%0.34SS..Hα-helixtrans-62.2-46.3175.400000111.7A1043 S1044 R1049 R1050 C1051A1043-A1047 PolarHBondContact O-N 3.03Å; S1044-A1047 WeakPolarHBondContact O-CB 3.42Å; S1044-A1047 PolarHBondContact O-N 3.29Å; A1047-R1049 VanDerWaalsContact C-N 3.34Å; A1047-R1049 PolarHBondContact O-N 3.33Å; A1047-R1050 PolarHBondContact O-N 3.41Å; A1047-C1051 PolarHBondContact O-N 3.43Å; A1047-C1051 PolarHBondContact O-SG 2.76Å; A1047-C1051 VanDerWaalsContact O-SG 3.34Å
1048A93.8Very high92.8Very high13 Ų1368.3 Ų68.311%0.10733%0.334CS..Hα-helixtrans-60.4-41.5176.800000112.2A178 S1044 T1045 N1052A178-A1048 HydrophobicContact CB-CB 4.04Å; S1044-A1048 WeakPolarHBondContact O-CB 3.34Å; S1044-A1048 PolarHBondContact O-N 3.32Å; T1045-A1048 PolarHBondContact O-N 3.31Å; A1048-N1052 VanDerWaalsContact O-CB 3.31Å; A1048-N1052 WeakPolarHBondContact O-CB 3.42Å; A1048-N1052 PolarHBondContact O-N 2.97Å
1049R92.8Very high93Very high168 Ų16869 Ų6963%0.63433%0.334SS*.Hα-helixtrans-62.6-44.6174.4-74177.8-176.4-179.41.6112.2T1045 R1046 A1047 N1052 Q1053T1045-R1049 WeakPolarHBondContact O-CG 3.45Å; T1045-R1049 PolarHBondContact O-N 3.43Å; R1046-R1049 PolarHBondContact O-N 3.05Å; A1047-R1049 VanDerWaalsContact C-N 3.34Å; A1047-R1049 PolarHBondContact O-N 3.33Å; R1049-N1052 PolarHBondContact O-N 3.43Å; R1049-Q1053 WeakPolarHBondContact O-CG 3.37Å; R1049-Q1053 PolarHBondContact O-N 3Å
1050R93.5Very high93Very high171 Ų17166.4 Ų66.465%0.64533%0.332SS*.Hα-helixtrans-62.4-50.3177-176.9-177.3-72.9172.9-4.7111.2R1046 A1047 N1052 Q1053 E1054R1046-R1050 PolarHBondContact O-N 3.12Å; A1047-R1050 PolarHBondContact O-N 3.41Å; R1050-N1052 PolarHBondContact O-N 3.16Å; R1050-Q1053 PolarHBondContact O-N 3.03Å; R1050-Q1053 VanDerWaalsContact O-N 3.16Å; R1050-E1054 WeakPolarHBondContact CG-OE1 3.47Å; R1050-E1054 WeakPolarHBondContact O-CG 3.41Å; R1050-E1054 PolarHBondContact O-N 3.25Å
1051C92.8Very high93Very high25 Ų2569.1 Ų69.117%0.16934%0.339CS..Hα-helixtrans-58.2-36.5176.5-67.30000111.9L175 A1047 F1055L175-C1051 HydrophobicContact CB-CB 4.31Å; L175-C1051 HydrophobicContact CD1-CB 4.18Å; A1047-C1051 PolarHBondContact O-N 3.43Å; A1047-C1051 PolarHBondContact O-SG 2.76Å; A1047-C1051 VanDerWaalsContact O-SG 3.34Å; C1051-F1055 VanDerWaalsContact O-CB 3.25Å; C1051-F1055 WeakPolarHBondContact O-CB 3.5Å; C1051-F1055 PolarHBondContact O-N 3.43Å
1052N94.2Very high93Very high58 Ų5868 Ų6831%0.3133%0.333SS..Hα-helixtrans-67-45177.1-164.282.5000111.6L175 A1048 R1049 R1050 F1055 E1056L175-N1052 HydrophobicContact CD1-CB 3.77Å; A1048-N1052 VanDerWaalsContact O-CB 3.31Å; A1048-N1052 WeakPolarHBondContact O-CB 3.42Å; A1048-N1052 PolarHBondContact O-N 2.97Å; R1049-N1052 PolarHBondContact O-N 3.43Å; R1050-N1052 PolarHBondContact O-N 3.16Å; N1052-F1055 PolarHBondContact O-N 2.68Å; N1052-E1056 WeakPolarHBondContact O-CG 3.38Å; N1052-E1056 PolarHBondContact O-N 3.32Å
1053Q94.3Very high93.1Very high124 Ų12468.3 Ų68.358%0.57933%0.331SS*.Hα-helixtrans-61.6-46.6176.4-73.5176.3-1100111.9R1049 R1050 F1055 E1056 Q1057R1049-Q1053 WeakPolarHBondContact O-CG 3.37Å; R1049-Q1053 PolarHBondContact O-N 3Å; R1050-Q1053 PolarHBondContact O-N 3.03Å; R1050-Q1053 VanDerWaalsContact O-N 3.16Å; Q1053-F1055 VanDerWaalsContact C-N 3.34Å; Q1053-F1055 PolarHBondContact O-N 2.83Å; Q1053-E1056 PolarHBondContact O-N 3.39Å; Q1053-Q1057 VanDerWaalsContact O-CG 3.28Å; Q1053-Q1057 WeakPolarHBondContact O-CG 3.46Å; Q1053-Q1057 PolarHBondContact O-N 2.87Å
1054E93.3Very high93Very high59 Ų5971.2 Ų71.228%0.27634%0.337SS..Hα-helixtrans-62.6-40.2177.5-68.8175-168.700112K171 R1050 V1058K171-E1054 HydrophobicContact CD-CB 4.22Å; K171-E1054 IonicContact NZ-OE2 2.85Å; K171-E1054 PolarHBondContact NZ-OE2 3.05Å; R1050-E1054 WeakPolarHBondContact CG-OE1 3.47Å; R1050-E1054 WeakPolarHBondContact O-CG 3.41Å; R1050-E1054 PolarHBondContact O-N 3.25Å; E1054-V1058 WeakPolarHBondContact O-CG2 3.47Å; E1054-V1058 PolarHBondContact O-N 3.4Å
1055F95.4Very high92.9Very high15 Ų1573.3 Ų73.37%0.06635%0.347CS..Hα-helixtrans-64.3-46.7175.7172.4-105000112.1Y168 K171 K172 L175 C1051 N1052 Q1053 Q1057 V1058 K1059Y168-F1055 AromaticContact CD2-CE2 3.76Å; Y168-F1055 HydrophobicContact CD2-CE2 3.76Å; Y168-F1055 HydrophobicContact CD2-CZ 4.39Å; Y168-F1055 HydrophobicContact CE1-CE2 4.23Å; Y168-F1055 AromaticContact CE2-CE2 3.43Å; Y168-F1055 HydrophobicContact CE2-CE2 3.43Å; Y168-F1055 VanDerWaalsContact CE2-CE2 3.43Å; Y168-F1055 AromaticContact CE2-CZ 3.63Å; Y168-F1055 HydrophobicContact CE2-CZ 3.63Å; Y168-F1055 HydrophobicContact CG-CE2 4.3Å; Y168-F1055 AromaticContact CZ-CE2 3.68Å; Y168-F1055 AromaticContact CZ-CZ 3.79Å; K171-F1055 HydrophobicContact CB-CB 4.27Å; K171-F1055 HydrophobicContact CB-CD2 4.29Å; K172-F1055 HydrophobicContact CB-CD2 4.03Å; K172-F1055 HydrophobicContact CB-CE2 3.72Å; K172-F1055 HydrophobicContact CD-CE2 4.29Å; K172-F1055 HydrophobicContact CD-CZ 4.48Å; K172-F1055 HydrophobicContact CG-CE2 4.09Å; K172-F1055 HydrophobicContact CG-CZ 4.45Å; L175-F1055 HydrophobicContact CD2-CB 4.29Å; L175-F1055 HydrophobicContact CD2-CD1 3.91Å; L175-F1055 HydrophobicContact CD2-CG 4.18Å; C1051-F1055 VanDerWaalsContact O-CB 3.25Å; C1051-F1055 WeakPolarHBondContact O-CB 3.5Å; C1051-F1055 PolarHBondContact O-N 3.43Å; N1052-F1055 PolarHBondContact O-N 2.68Å; Q1053-F1055 VanDerWaalsContact C-N 3.34Å; Q1053-F1055 PolarHBondContact O-N 2.83Å; F1055-Q1057 VanDerWaalsContact C-N 3.31Å; F1055-Q1057 PolarHBondContact O-N 2.93Å; F1055-V1058 PolarHBondContact O-N 2.98Å; F1055-K1059 HydrophobicContact CE1-CD 4.21Å; F1055-K1059 HydrophobicContact CZ-CD 4.32Å; F1055-K1059 VanDerWaalsContact O-CB 3.28Å; F1055-K1059 WeakPolarHBondContact O-CB 3.43Å; F1055-K1059 PolarHBondContact O-N 3.46Å
1056E93.3Very high93Very high85 Ų8572 Ų7240%0.39734%0.338SS..Hα-helixtrans-63.5-36.2178.6-71.5-58.1154.500112N1052 Q1053 K1059 A1060N1052-E1056 WeakPolarHBondContact O-CG 3.38Å; N1052-E1056 PolarHBondContact O-N 3.32Å; Q1053-E1056 PolarHBondContact O-N 3.39Å; E1056-K1059 PolarHBondContact O-N 3.29Å; E1056-A1060 VanDerWaalsContact O-CB 3.25Å; E1056-A1060 WeakPolarHBondContact O-CB 3.43Å; E1056-A1060 PolarHBondContact O-N 3.42Å
1057Q93.6Very high92.9Very high122 Ų12264.7 Ų64.757%0.5731%0.313SS*.Hα-helixtrans-61.8-50.8174.6-74.7171.71.500112Q1053 F1055 K1059 A1060 Q1061Q1053-Q1057 VanDerWaalsContact O-CG 3.28Å; Q1053-Q1057 WeakPolarHBondContact O-CG 3.46Å; Q1053-Q1057 PolarHBondContact O-N 2.87Å; F1055-Q1057 VanDerWaalsContact C-N 3.31Å; F1055-Q1057 PolarHBondContact O-N 2.93Å; Q1057-K1059 VanDerWaalsContact C-N 3.33Å; Q1057-K1059 PolarHBondContact O-N 3.38Å; Q1057-A1060 PolarHBondContact O-N 3.29Å; Q1057-Q1061 WeakPolarHBondContact O-CG 3.45Å; Q1057-Q1061 PolarHBondContact O-N 3.48Å
1058V93.7Very high92.8Very high13 Ų1367.1 Ų67.18%0.07932%0.316CS..Hα-helixtrans-65.2-39.4179174.90000110.9Y164 E167 E1054 F1055 R1062Y164-V1058 HydrophobicContact CD1-CG1 4.43Å; E167-V1058 HydrophobicContact CB-CG1 4.19Å; E1054-V1058 WeakPolarHBondContact O-CG2 3.47Å; E1054-V1058 PolarHBondContact O-N 3.4Å; F1055-V1058 PolarHBondContact O-N 2.98Å; V1058-R1062 WeakPolarHBondContact O-CB 3.24Å; V1058-R1062 PolarHBondContact O-N 2.85Å
1059K93.2Very high92.6Very high47 Ų4766.5 Ų66.520%0.20431%0.311CS..Hα-helixtrans-59.8-49.5174.8176177166.7168.10111.1Y168 F1055 E1056 Q1057 R1062 F1063 E1101Y168-K1059 HydrophobicContact CD2-CB 4.31Å; Y168-K1059 HydrophobicContact CE2-CB 4.12Å; Y168-K1059 HydrophobicContact CE2-CG 4.21Å; F1055-K1059 HydrophobicContact CE1-CD 4.21Å; F1055-K1059 HydrophobicContact CZ-CD 4.32Å; F1055-K1059 VanDerWaalsContact O-CB 3.28Å; F1055-K1059 WeakPolarHBondContact O-CB 3.43Å; F1055-K1059 PolarHBondContact O-N 3.46Å; E1056-K1059 PolarHBondContact O-N 3.29Å; Q1057-K1059 VanDerWaalsContact C-N 3.33Å; Q1057-K1059 PolarHBondContact O-N 3.38Å; K1059-R1062 PolarHBondContact O-N 2.88Å; K1059-F1063 WeakPolarHBondContact O-CB 3.31Å; K1059-F1063 PolarHBondContact O-N 3.35Å; K1059-E1101 WeakPolarHBondContact CE-OE1 3.41Å; K1059-E1101 IonicContact NZ-OE1 3.75Å; K1059-E1101 PolarHBondContact NZ-OE1 3.22Å
1060A92.4Very high92.5Very high54 Ų5459.6 Ų59.645%0.44629%0.286SS..Hα-helixtrans-62.1-45.1-179.500000111.9E1056 Q1057 F1063 Q1064E1056-A1060 VanDerWaalsContact O-CB 3.25Å; E1056-A1060 WeakPolarHBondContact O-CB 3.43Å; E1056-A1060 PolarHBondContact O-N 3.42Å; Q1057-A1060 PolarHBondContact O-N 3.29Å; A1060-F1063 PolarHBondContact O-N 3.38Å; A1060-Q1064 VanDerWaalsContact O-CB 3.27Å; A1060-Q1064 WeakPolarHBondContact O-CB 3.45Å; A1060-Q1064 PolarHBondContact O-N 3.47Å
1061Q90.7Very high92.4Very high91 Ų9156.8 Ų56.843%0.42528%0.28SS..Hα-helixtrans-61.8-45.9177.1-73.1179.5-8.100112.1Q1057 Q1064 L1065Q1057-Q1061 WeakPolarHBondContact O-CG 3.45Å; Q1057-Q1061 PolarHBondContact O-N 3.48Å; Q1061-Q1064 PolarHBondContact O-N 3.45Å; Q1061-L1065 WeakPolarHBondContact O-CG 3.48Å; Q1061-L1065 PolarHBondContact O-N 3.48Å; Q1061-L1065 VanDerWaalsContact O-N 3.15Å
1062R93.3Very high92.3Very high12 Ų1258.8 Ų58.85%0.04529%0.287CS..Hα-helixtrans-63.5-42.3178.1-173178.2175.9-157.1-4111.9E156 V1058 K1059 F1066 Y1103E156-R1062 IonicContact OE1-CZ 3.34Å; E156-R1062 IonicContact OE1-NE 2.76Å; E156-R1062 PolarHBondContact OE1-NE 3.46Å; E156-R1062 IonicContact OE1-NH2 3.09Å; E156-R1062 PolarHBondContact OE1-NH2 3.02Å; E156-R1062 IonicContact OE2-NH2 3.07Å; V1058-R1062 WeakPolarHBondContact O-CB 3.24Å; V1058-R1062 PolarHBondContact O-N 2.85Å; K1059-R1062 PolarHBondContact O-N 2.88Å; R1062-F1066 WeakPolarHBondContact O-CB 3.45Å; R1062-F1066 PolarHBondContact O-N 2.88Å; R1062-Y1103 HydrophobicContact CG-CD1 4.25Å; R1062-Y1103 HydrophobicContact CG-CE1 4.41Å; R1062-Y1103 HydrophobicContact CG-CG 4.37Å
1063F92.8Very high92.2Very high74 Ų7456 Ų5633%0.32527%0.272SS..Hα-helixtrans-63.5-51176.6179.7-97.6000111.3K1059 A1060 L1065 F1066 S1067 E1100 P1102 Y1103K1059-F1063 WeakPolarHBondContact O-CB 3.31Å; K1059-F1063 PolarHBondContact O-N 3.35Å; A1060-F1063 PolarHBondContact O-N 3.38Å; F1063-L1065 PolarHBondContact O-N 2.97Å; F1063-F1066 PolarHBondContact O-N 3.49Å; F1063-F1066 VanDerWaalsContact O-N 3.13Å; F1063-S1067 WeakPolarHBondContact CE1-OG 3.5Å; F1063-S1067 WeakPolarHBondContact CE2-OG 3.28Å; F1063-S1067 VanDerWaalsContact CZ-OG 3.24Å; F1063-S1067 WeakPolarHBondContact CZ-OG 3.32Å; F1063-S1067 WeakPolarHBondContact O-CB 3.14Å; F1063-S1067 PolarHBondContact O-N 3.29Å; F1063-S1067 PolarHBondContact O-OG 2.96Å; F1063-S1067 VanDerWaalsContact O-OG 3.08Å; F1063-E1100 WeakPolarHBondContact CD2-O 3.39Å; F1063-E1100 WeakPolarHBondContact CE2-O 3.4Å; F1063-P1102 HydrophobicContact CD2-CG 4.38Å; F1063-P1102 HydrophobicContact CE2-CG 4.17Å; F1063-Y1103 HydrophobicContact CB-CE1 3.89Å; F1063-Y1103 HydrophobicContact CD2-CE1 4.06Å; F1063-Y1103 HydrophobicContact CG-CE1 4.49Å
1064Q91.7Very high92Very high111 Ų11153.7 Ų53.752%0.51926%0.262SS..Hα-helixtrans-57.3-49.5-177.1-176.6-179.6-4.800112A1060 Q1061 F1066 S1067 Q1068A1060-Q1064 VanDerWaalsContact O-CB 3.27Å; A1060-Q1064 WeakPolarHBondContact O-CB 3.45Å; A1060-Q1064 PolarHBondContact O-N 3.47Å; Q1061-Q1064 PolarHBondContact O-N 3.45Å; Q1064-F1066 VanDerWaalsContact C-N 3.29Å; Q1064-F1066 PolarHBondContact O-N 2.88Å; Q1064-S1067 PolarHBondContact O-N 2.99Å; Q1064-Q1068 WeakPolarHBondContact O-CB 3.04Å; Q1064-Q1068 WeakPolarHBondContact O-CG 3.1Å; Q1064-Q1068 PolarHBondContact O-N 2.93Å
1065L90.1Very high91.8Very high57 Ų5757 Ų5730%0.29828%0.281SS..Hα-helixtrans-62-38178.7-70.2174.3000112.2C159 Y164 Q1061 F1063C159-L1065 WeakPolarHBondContact CB-O 3.22Å; Y164-L1065 HydrophobicContact CD2-CD1 4.19Å; Y164-L1065 HydrophobicContact CE2-CD1 3.67Å; Q1061-L1065 WeakPolarHBondContact O-CG 3.48Å; Q1061-L1065 PolarHBondContact O-N 3.48Å; Q1061-L1065 VanDerWaalsContact O-N 3.15Å; F1063-L1065 PolarHBondContact O-N 2.97Å
1066F92.9Very high91.6Very high1 Ų158 Ų580%0.00429%0.288CS..Hα-helixtrans-71.4-49.5179.1-171.7-86.1000112.1T152 L155 E156 R1062 F1063 Q1064 Q1068 C1069 F1070 P1102 Y1103 I1107T152-F1066 HydrophobicContact CG2-CE2 4Å; T152-F1066 HydrophobicContact CG2-CZ 3.93Å; L155-F1066 HydrophobicContact CB-CE2 4.25Å; E156-F1066 HydrophobicContact CG-CD2 3.69Å; E156-F1066 HydrophobicContact CG-CE2 3.63Å; R1062-F1066 WeakPolarHBondContact O-CB 3.45Å; R1062-F1066 PolarHBondContact O-N 2.88Å; F1063-F1066 PolarHBondContact O-N 3.49Å; F1063-F1066 VanDerWaalsContact O-N 3.13Å; Q1064-F1066 VanDerWaalsContact C-N 3.29Å; Q1064-F1066 PolarHBondContact O-N 2.88Å; F1066-Q1068 PolarHBondContact O-N 3.13Å; F1066-C1069 PolarHBondContact O-N 3.05Å; F1066-F1070 HydrophobicContact CD1-CB 4.23Å; F1066-F1070 HydrophobicContact CE1-CB 4Å; F1066-F1070 HydrophobicContact CE1-CG 4.29Å; F1066-F1070 WeakPolarHBondContact O-CB 3.4Å; F1066-F1070 PolarHBondContact O-N 2.93Å; F1066-P1102 HydrophobicContact CD1-CB 4.04Å; F1066-P1102 HydrophobicContact CD1-CG 3.56Å; F1066-P1102 HydrophobicContact CE1-CB 3.63Å; F1066-P1102 HydrophobicContact CE1-CG 3.72Å; F1066-Y1103 HydrophobicContact CB-CD1 4.38Å; F1066-I1107 HydrophobicContact CE1-CD1 4.04Å; F1066-I1107 HydrophobicContact CZ-CD1 3.53Å
1067S90.8Very high91.6Very high13 Ų1353.9 Ų53.99%0.09127%0.269CS..Hα-helixtrans-64-39.9-176.8-59.50000111.6F1063 Q1064 C1069 F1070 E1071F1063-S1067 WeakPolarHBondContact CE1-OG 3.5Å; F1063-S1067 WeakPolarHBondContact CE2-OG 3.28Å; F1063-S1067 VanDerWaalsContact CZ-OG 3.24Å; F1063-S1067 WeakPolarHBondContact CZ-OG 3.32Å; F1063-S1067 WeakPolarHBondContact O-CB 3.14Å; F1063-S1067 PolarHBondContact O-N 3.29Å; F1063-S1067 PolarHBondContact O-OG 2.96Å; F1063-S1067 VanDerWaalsContact O-OG 3.08Å; Q1064-S1067 PolarHBondContact O-N 2.99Å; S1067-C1069 VanDerWaalsContact C-N 3.33Å; S1067-C1069 PolarHBondContact O-N 3.14Å; S1067-F1070 PolarHBondContact O-N 3.22Å; S1067-E1071 VanDerWaalsContact O-CB 3.3Å; S1067-E1071 WeakPolarHBondContact O-CB 3.4Å; S1067-E1071 VanDerWaalsContact O-CG 3.3Å; S1067-E1071 WeakPolarHBondContact O-CG 3.44Å; S1067-E1071 PolarHBondContact O-N 3.39Å
1068Q90.4Very high91.4Very high96 Ų9650.1 Ų50.145%0.44925%0.253SS..Hα-helixtrans-57.2-45174.1-75.5176.2-8.900112.6Q1064 F1066 H1072Q1064-Q1068 WeakPolarHBondContact O-CB 3.04Å; Q1064-Q1068 WeakPolarHBondContact O-CG 3.1Å; Q1064-Q1068 PolarHBondContact O-N 2.93Å; F1066-Q1068 PolarHBondContact O-N 3.13Å; Q1068-H1072 WeakPolarHBondContact O-CB 3.28Å; Q1068-H1072 PolarHBondContact O-N 3.09Å
1069C89.8Confident91.2Very high1 Ų154.9 Ų54.91%0.00727%0.274CS..Hα-helixtrans-67.7-48.6176.6179.70000111.3C159 F1066 S1067 H1072 V1073 F1143C159-C1069 HydrophobicContact CB-CB 3.52Å; F1066-C1069 PolarHBondContact O-N 3.05Å; S1067-C1069 VanDerWaalsContact C-N 3.33Å; S1067-C1069 PolarHBondContact O-N 3.14Å; C1069-H1072 PolarHBondContact O-N 3.11Å; C1069-V1073 VanDerWaalsContact O-CG2 3.26Å; C1069-V1073 WeakPolarHBondContact O-CG2 3.49Å; C1069-V1073 PolarHBondContact O-N 3.23Å; C1069-F1143 HydrophobicContact CB-CD1 4.04Å; C1069-F1143 HydrophobicContact CB-CD2 4.44Å; C1069-F1143 HydrophobicContact CB-CE1 3.62Å; C1069-F1143 HydrophobicContact CB-CE2 4.06Å; C1069-F1143 HydrophobicContact CB-CG 4.43Å; C1069-F1143 HydrophobicContact CB-CZ 3.63Å; C1069-F1143 VanDerWaalsContact SG-CD1 3.59Å
1070F91.4Very high91Very high23 Ų2353.2 Ų53.210%0.10127%0.267CS..Hα-helixtrans-63.4-46.3-175.8178.8-107.2000112.5L155 F1066 S1067 H1072 V1073 M1074 L1094 A1096 I1107L155-F1070 HydrophobicContact CD1-CD2 4.44Å; F1066-F1070 HydrophobicContact CD1-CB 4.23Å; F1066-F1070 HydrophobicContact CE1-CB 4Å; F1066-F1070 HydrophobicContact CE1-CG 4.29Å; F1066-F1070 WeakPolarHBondContact O-CB 3.4Å; F1066-F1070 PolarHBondContact O-N 2.93Å; S1067-F1070 PolarHBondContact O-N 3.22Å; F1070-H1072 PolarHBondContact O-N 3.48Å; F1070-V1073 PolarHBondContact O-N 3.41Å; F1070-M1074 HydrophobicContact CE1-SD 4.25Å; F1070-M1074 WeakPolarHBondContact O-CB 3.18Å; F1070-M1074 PolarHBondContact O-N 3.44Å; F1070-L1094 HydrophobicContact CE2-CB 4.18Å; F1070-L1094 HydrophobicContact CZ-CB 4.46Å; F1070-A1096 HydrophobicContact CE1-CB 4.19Å; F1070-A1096 HydrophobicContact CZ-CB 4.08Å; F1070-I1107 HydrophobicContact CD2-CD1 3.51Å; F1070-I1107 HydrophobicContact CD2-CG1 4.36Å; F1070-I1107 HydrophobicContact CE2-CD1 3.6Å; F1070-I1107 HydrophobicContact CE2-CG1 3.96Å; F1070-I1107 HydrophobicContact CE2-CG2 3.83Å; F1070-I1107 HydrophobicContact CG-CD1 4.48Å
1071E90.5Very high90.9Very high111 Ų11150.8 Ų50.852%0.51925%0.246SC..Hα-helixtrans-62.9-42.4178.3-72.4173-170.700111.5S1067 M1074 L1075S1067-E1071 VanDerWaalsContact O-CB 3.3Å; S1067-E1071 WeakPolarHBondContact O-CB 3.4Å; S1067-E1071 VanDerWaalsContact O-CG 3.3Å; S1067-E1071 WeakPolarHBondContact O-CG 3.44Å; S1067-E1071 PolarHBondContact O-N 3.39Å; E1071-M1074 PolarHBondContact O-N 3.31Å; E1071-L1075 WeakPolarHBondContact O-CG 3.28Å; E1071-L1075 PolarHBondContact O-N 3.1Å; E1071-L1075 VanDerWaalsContact O-N 3.09Å
1072H91.1Very high90.9Very high67 Ų6749.4 Ų49.431%0.3124%0.239SC..Hα-helixtrans-60.3-51.9175.6-178.389000111.4Q1068 C1069 F1070 M1074 L1075 V1076 S1142 F1143Q1068-H1072 WeakPolarHBondContact O-CB 3.28Å; Q1068-H1072 PolarHBondContact O-N 3.09Å; C1069-H1072 PolarHBondContact O-N 3.11Å; F1070-H1072 PolarHBondContact O-N 3.48Å; H1072-M1074 VanDerWaalsContact C-N 3.32Å; H1072-M1074 PolarHBondContact O-N 3.05Å; H1072-L1075 PolarHBondContact O-N 3.18Å; H1072-V1076 WeakPolarHBondContact O-CG2 3.31Å; H1072-V1076 PolarHBondContact O-N 3.23Å; H1072-S1142 PolarHBondContact NE2-OG 3.38Å; H1072-F1143 HydrophobicContact CB-CD2 3.93Å; H1072-F1143 AromaticContact CG-CD2 3.95Å
1073V91.3Very high90.6Very high0 Ų052.3 Ų52.30%025%0.25CS..Hα-helixtrans-62.8-40-179.5177.30000110.9C1069 F1070 L1075 V1076 I1077 L1094 L1136 A1139 I1140 F1143C1069-V1073 VanDerWaalsContact O-CG2 3.26Å; C1069-V1073 WeakPolarHBondContact O-CG2 3.49Å; C1069-V1073 PolarHBondContact O-N 3.23Å; F1070-V1073 PolarHBondContact O-N 3.41Å; V1073-L1075 VanDerWaalsContact C-N 3.33Å; V1073-L1075 PolarHBondContact O-N 3.46Å; V1073-V1076 PolarHBondContact O-N 3.03Å; V1073-I1077 VanDerWaalsContact O-CB 3.24Å; V1073-I1077 WeakPolarHBondContact O-CB 3.4Å; V1073-I1077 VanDerWaalsContact O-CG2 3.24Å; V1073-I1077 WeakPolarHBondContact O-CG2 3.29Å; V1073-I1077 PolarHBondContact O-N 3.41Å; V1073-L1094 HydrophobicContact CG1-CD1 3.69Å; V1073-L1136 HydrophobicContact CG1-CD1 4.31Å; V1073-A1139 HydrophobicContact CG1-CB 4.02Å; V1073-I1140 HydrophobicContact CG1-CG1 4.42Å; V1073-I1140 HydrophobicContact CG2-CG1 4.48Å; V1073-F1143 HydrophobicContact CG2-CB 4.45Å
1074M90.1Very high90.4Very high75 Ų7549 Ų4937%0.36924%0.235SC..Hα-helixtrans-62.6-35.8178.5-177-169.572.100112.9F1070 E1071 H1072 I1077 L1094F1070-M1074 HydrophobicContact CE1-SD 4.25Å; F1070-M1074 WeakPolarHBondContact O-CB 3.18Å; F1070-M1074 PolarHBondContact O-N 3.44Å; E1071-M1074 PolarHBondContact O-N 3.31Å; H1072-M1074 VanDerWaalsContact C-N 3.32Å; H1072-M1074 PolarHBondContact O-N 3.05Å; M1074-I1077 WeakPolarHBondContact O-CG2 3.46Å; M1074-L1094 HydrophobicContact CG-CB 4.43Å
1075L89.3Confident90.1Very high128 Ų12844.2 Ų44.267%0.6722%0.215SC*.Hα-helixtrans-77.3-40.3177.3-69.4172.8000112.1E1071 H1072 V1073E1071-L1075 WeakPolarHBondContact O-CG 3.28Å; E1071-L1075 PolarHBondContact O-N 3.1Å; E1071-L1075 VanDerWaalsContact O-N 3.09Å; H1072-L1075 PolarHBondContact O-N 3.18Å; V1073-L1075 VanDerWaalsContact C-N 3.33Å; V1073-L1075 PolarHBondContact O-N 3.46Å
1076V91.4Very high89.8Confident36 Ų3648.5 Ų48.522%0.21823%0.227CC..Hα-helixtrans-78.4-32.1-173.91760000112.3H1072 V1073 D1078 H1079 I1080 A1139H1072-V1076 WeakPolarHBondContact O-CG2 3.31Å; H1072-V1076 PolarHBondContact O-N 3.23Å; V1073-V1076 PolarHBondContact O-N 3.03Å; V1076-D1078 VanDerWaalsContact C-N 3.34Å; V1076-D1078 PolarHBondContact O-N 3.1Å; V1076-H1079 PolarHBondContact O-N 3.11Å; V1076-H1079 VanDerWaalsContact O-N 3.17Å; V1076-I1080 HydrophobicContact CG1-CD1 3.42Å; V1076-I1080 VanDerWaalsContact CG1-CD1 3.42Å; V1076-I1080 HydrophobicContact CG1-CG1 3.78Å; V1076-I1080 PolarHBondContact O-N 3.27Å; V1076-A1139 HydrophobicContact CG1-CB 4.41Å
1077I92.6Very high89.3Confident0 Ų051.4 Ų51.40%024%0.242CC..Hα-helixtrans-57.6-42.9-175.7-174.853.8000113.3V1073 M1074 H1079 I1080 Y1081 A1092 L1094 Y1109 A1135 L1136 A1139V1073-I1077 VanDerWaalsContact O-CB 3.24Å; V1073-I1077 WeakPolarHBondContact O-CB 3.4Å; V1073-I1077 VanDerWaalsContact O-CG2 3.24Å; V1073-I1077 WeakPolarHBondContact O-CG2 3.29Å; V1073-I1077 PolarHBondContact O-N 3.41Å; M1074-I1077 WeakPolarHBondContact O-CG2 3.46Å; I1077-H1079 VanDerWaalsContact C-N 3.34Å; I1077-H1079 PolarHBondContact O-N 3.42Å; I1077-I1080 PolarHBondContact O-N 2.95Å; I1077-Y1081 VanDerWaalsContact O-CB 3.24Å; I1077-Y1081 WeakPolarHBondContact O-CB 3.34Å; I1077-Y1081 PolarHBondContact O-N 3.46Å; I1077-A1092 HydrophobicContact CG1-CB 4.02Å; I1077-L1094 HydrophobicContact CB-CD1 4.34Å; I1077-L1094 HydrophobicContact CG1-CD1 4.48Å; I1077-L1094 HydrophobicContact CG2-CD1 3.97Å; I1077-L1094 HydrophobicContact CG2-CG 4.4Å; I1077-Y1109 HydrophobicContact CD1-CE2 4.5Å; I1077-Y1109 HydrophobicContact CG1-CE2 4.03Å; I1077-A1135 HydrophobicContact CD1-CB 3.79Å; I1077-A1135 VanDerWaalsContact CD1-O 3.26Å; I1077-A1135 WeakPolarHBondContact CD1-O 3.2Å; I1077-L1136 VanDerWaalsContact CD1-CA 3.44Å; I1077-L1136 HydrophobicContact CD1-CB 4.24Å; I1077-L1136 VanDerWaalsContact CD1-N 3.31Å; I1077-A1139 HydrophobicContact CB-CB 3.98Å; I1077-A1139 HydrophobicContact CD1-CB 3.89Å
1078D89.8Confident88.8Confident43 Ų4362 Ų6223%0.2328%0.28CS..Hα-helixtrans-67-39.4-179-176.760.4000111.2V1076 K1082 Q1091 A1092V1076-D1078 VanDerWaalsContact C-N 3.34Å; V1076-D1078 PolarHBondContact O-N 3.1Å; D1078-K1082 WeakPolarHBondContact O-CB 3.21Å; D1078-K1082 WeakPolarHBondContact O-CG 3.44Å; D1078-K1082 PolarHBondContact O-N 2.83Å; D1078-K1082 WeakPolarHBondContact OD1-CE 3.22Å; D1078-K1082 IonicContact OD1-NZ 3.98Å; D1078-K1082 VanDerWaalsContact OD2-CE 3.31Å; D1078-K1082 WeakPolarHBondContact OD2-CE 3.4Å; D1078-K1082 IonicContact OD2-NZ 3.75Å; D1078-K1082 PolarHBondContact OD2-NZ 3.21Å; D1078-Q1091 WeakPolarHBondContact OD1-CA 3.22Å; D1078-A1092 PolarHBondContact OD1-N 2.93Å; D1078-A1092 VanDerWaalsContact OD1-N 3.14Å
1079H89.3Confident88.4Confident113 Ų11361.2 Ų61.252%0.52329%0.285SS..Hα-helixtrans-65.2-47.8177.5-17568.5000111.8V1076 I1077 K1082 R1083V1076-H1079 PolarHBondContact O-N 3.11Å; V1076-H1079 VanDerWaalsContact O-N 3.17Å; I1077-H1079 VanDerWaalsContact C-N 3.34Å; I1077-H1079 PolarHBondContact O-N 3.42Å; H1079-K1082 PolarHBondContact O-N 2.98Å; H1079-R1083 WeakPolarHBondContact NE2-CD 3.27Å; H1079-R1083 WeakPolarHBondContact O-CG 3.32Å; H1079-R1083 PolarHBondContact O-N 2.78Å
1080I90Very high88.2Confident12 Ų1261.2 Ų61.26%0.06229%0.285CS..Hα-helixtrans-63.3-44.6177.9-68.1-177.5000110.8V1076 I1077 K1082 R1083 I1084 A1135 F1138 A1139 F1169V1076-I1080 HydrophobicContact CG1-CD1 3.42Å; V1076-I1080 VanDerWaalsContact CG1-CD1 3.42Å; V1076-I1080 HydrophobicContact CG1-CG1 3.78Å; V1076-I1080 PolarHBondContact O-N 3.27Å; I1077-I1080 PolarHBondContact O-N 2.95Å; I1080-K1082 VanDerWaalsContact C-N 3.32Å; I1080-K1082 PolarHBondContact O-N 3.31Å; I1080-R1083 PolarHBondContact O-N 2.87Å; I1080-R1083 VanDerWaalsContact O-N 3.15Å; I1080-I1084 HydrophobicContact CG2-CD1 3.68Å; I1080-I1084 HydrophobicContact CG2-CG1 4.27Å; I1080-I1084 WeakPolarHBondContact O-CG1 3.49Å; I1080-I1084 PolarHBondContact O-N 3.4Å; I1080-A1135 HydrophobicContact CG2-CB 4.2Å; I1080-F1138 HydrophobicContact CD1-CB 3.99Å; I1080-F1138 HydrophobicContact CG2-CB 4.05Å; I1080-A1139 HydrophobicContact CD1-CB 4.2Å; I1080-F1169 HydrophobicContact CG2-CE2 4.5Å; I1080-F1169 HydrophobicContact CG2-CZ 3.92Å
1081Y90.6Very high88Confident2 Ų264.4 Ų64.41%0.00830%0.301CS..Hα-helixtrans-62.4-39.5-179.4-172.1-110.1000112.2I1077 C1085 A1090 A1092 C1111 I1131 A1132 A1135I1077-Y1081 VanDerWaalsContact O-CB 3.24Å; I1077-Y1081 WeakPolarHBondContact O-CB 3.34Å; I1077-Y1081 PolarHBondContact O-N 3.46Å; Y1081-C1085 WeakPolarHBondContact O-CB 3.37Å; Y1081-C1085 PolarHBondContact O-N 2.86Å; Y1081-C1085 PolarHBondContact O-SG 3.39Å; Y1081-A1090 HydrophobicContact CD1-CB 3.99Å; Y1081-A1090 HydrophobicContact CE1-CB 3.81Å; Y1081-A1092 HydrophobicContact CD1-CB 3.75Å; Y1081-A1092 HydrophobicContact CD2-CB 4.46Å; Y1081-A1092 HydrophobicContact CE1-CB 4.45Å; Y1081-A1092 HydrophobicContact CG-CB 3.75Å; Y1081-C1111 HydrophobicContact CE1-CB 4.42Å; Y1081-I1131 HydrophobicContact CD2-CG2 4.3Å; Y1081-I1131 HydrophobicContact CE2-CG2 3.9Å; Y1081-A1132 HydrophobicContact CE2-CB 4.06Å; Y1081-A1135 HydrophobicContact CD2-CB 3.74Å; Y1081-A1135 HydrophobicContact CG-CB 4.39Å
1082K89.4Confident88Confident63 Ų6359.2 Ų59.227%0.27428%0.277SS..Hα-helixtrans-64.5-40173-77.1169.6179165.90112.9D1078 H1079 I1080 R1086 N1087 A1090D1078-K1082 WeakPolarHBondContact O-CB 3.21Å; D1078-K1082 WeakPolarHBondContact O-CG 3.44Å; D1078-K1082 PolarHBondContact O-N 2.83Å; D1078-K1082 WeakPolarHBondContact OD1-CE 3.22Å; D1078-K1082 IonicContact OD1-NZ 3.98Å; D1078-K1082 VanDerWaalsContact OD2-CE 3.31Å; D1078-K1082 WeakPolarHBondContact OD2-CE 3.4Å; D1078-K1082 IonicContact OD2-NZ 3.75Å; D1078-K1082 PolarHBondContact OD2-NZ 3.21Å; H1079-K1082 PolarHBondContact O-N 2.98Å; I1080-K1082 VanDerWaalsContact C-N 3.32Å; I1080-K1082 PolarHBondContact O-N 3.31Å; K1082-R1086 PolarHBondContact O-N 2.88Å; K1082-N1087 PolarHBondContact O-N 3.31Å; K1082-A1090 WeakPolarHBondContact CE-O 3.42Å; K1082-A1090 WeakPolarHBondContact CG-O 3.49Å
1083R87.9Confident87.9Confident73 Ų7359.9 Ų59.928%0.27528%0.281SS..Hα-helixtrans-63.9-48.6176.2-75.8-178.866.9-155.4-3.5111.5H1079 I1080 C1085 R1086 F1169 E1172 E1173H1079-R1083 WeakPolarHBondContact NE2-CD 3.27Å; H1079-R1083 WeakPolarHBondContact O-CG 3.32Å; H1079-R1083 PolarHBondContact O-N 2.78Å; I1080-R1083 PolarHBondContact O-N 2.87Å; I1080-R1083 VanDerWaalsContact O-N 3.15Å; R1083-C1085 PolarHBondContact O-N 2.78Å; R1083-R1086 WeakPolarHBondContact O-CG 3.46Å; R1083-R1086 PolarHBondContact O-N 2.88Å; R1083-F1169 HydrophobicContact CB-CD2 4.16Å; R1083-F1169 HydrophobicContact CB-CE2 4.14Å; R1083-E1172 IonicContact NH2-OE2 3.65Å; R1083-E1172 PolarHBondContact NH2-OE2 3.46Å; R1083-E1173 IonicContact CZ-OE1 3.37Å; R1083-E1173 IonicContact NH1-OE1 3.12Å; R1083-E1173 PolarHBondContact NH1-OE1 3.45Å; R1083-E1173 IonicContact NH2-OE1 2.81Å; R1083-E1173 PolarHBondContact NH2-OE1 3.03Å; R1083-E1173 VanDerWaalsContact NH2-OE1 3.09Å
1084I87.9Confident87.9Confident3 Ų360 Ų602%0.01528%0.282CS..Hα-helixtrans-63.1-43.7178.5-63.5169.7000111.1I1080 R1086 I1131 A1135 F1138 V1166 F1169I1080-I1084 HydrophobicContact CG2-CD1 3.68Å; I1080-I1084 HydrophobicContact CG2-CG1 4.27Å; I1080-I1084 WeakPolarHBondContact O-CG1 3.49Å; I1080-I1084 PolarHBondContact O-N 3.4Å; I1084-R1086 PolarHBondContact O-N 3.47Å; I1084-I1131 HydrophobicContact CG2-CG2 3.76Å; I1084-A1135 HydrophobicContact CD1-CB 4.01Å; I1084-F1138 HydrophobicContact CD1-CD2 4.26Å; I1084-V1166 HydrophobicContact CG2-CG2 3.88Å; I1084-F1169 HydrophobicContact CD1-CD1 4.1Å; I1084-F1169 HydrophobicContact CD1-CE1 3.96Å; I1084-F1169 HydrophobicContact CD1-CZ 4.34Å; I1084-F1169 HydrophobicContact CG1-CB 4.33Å; I1084-F1169 HydrophobicContact CG1-CD1 3.65Å; I1084-F1169 HydrophobicContact CG1-CD2 3.93Å; I1084-F1169 HydrophobicContact CG1-CE1 3.87Å; I1084-F1169 HydrophobicContact CG1-CE2 4.13Å; I1084-F1169 HydrophobicContact CG1-CG 3.68Å; I1084-F1169 HydrophobicContact CG1-CZ 4.1Å
1085C85Confident87.9Confident12 Ų1258.8 Ų58.88%0.08128%0.281CS..Hα-helixtrans-72.2-14.3179.3-67.30000113.8Y1081 R1083 N1087 A1090 P1114Y1081-C1085 WeakPolarHBondContact O-CB 3.37Å; Y1081-C1085 PolarHBondContact O-N 2.86Å; Y1081-C1085 PolarHBondContact O-SG 3.39Å; R1083-C1085 PolarHBondContact O-N 2.78Å; C1085-N1087 HydrophobicContact CB-CB 4.43Å; C1085-N1087 PolarHBondContact O-N 3.01Å; C1085-N1087 VanDerWaalsContact O-N 3.11Å; C1085-A1090 HydrophobicContact CB-CB 3.87Å; C1085-P1114 HydrophobicContact CB-CG 4.25Å
1086R83.3Confident88Confident147 Ų14754 Ų5456%0.55526%0.26SS*.THydrogen-bonded Turntrans47.233.8-169.9-65.4-173.7168.7-172.3-8.6113K1082 R1083 I1084 E1172K1082-R1086 PolarHBondContact O-N 2.88Å; R1083-R1086 WeakPolarHBondContact O-CG 3.46Å; R1083-R1086 PolarHBondContact O-N 2.88Å; I1084-R1086 PolarHBondContact O-N 3.47Å; R1086-E1172 IonicContact NH2-OE1 3.33Å
1087N82.8Confident87.8Confident61 Ų6157.7 Ų57.733%0.32628%0.275SS..  trans-140.9127.1-175.5-165.5-41.2000110.6K1082 C1085 S1089 A1090 P1114K1082-N1087 PolarHBondContact O-N 3.31Å; C1085-N1087 HydrophobicContact CB-CB 4.43Å; C1085-N1087 PolarHBondContact O-N 3.01Å; C1085-N1087 VanDerWaalsContact O-N 3.11Å; N1087-S1089 PolarHBondContact O-N 3.47Å; N1087-S1089 WeakPolarHBondContact OD1-CB 3.24Å; N1087-S1089 PolarHBondContact OD1-N 2.94Å; N1087-S1089 PolarHBondContact OD1-OG 2.88Å; N1087-A1090 PolarHBondContact O-N 3.33Å; N1087-P1114 HydrophobicContact CB-CB 4.38Å; N1087-P1114 HydrophobicContact CB-CG 4.16Å
1088R80.1Confident87.6Confident236 Ų23660.8 Ų60.889%0.89129%0.292SS*.THydrogen-bonded Turntrans-71-19-178.3-64.9-174.4178-174.6-0.1113.5
1089S82.9Confident87.3Confident80 Ų8063.7 Ų63.756%0.55931%0.312SS*.THydrogen-bonded Turntrans-83.6-11.8179.8-55.10000113.6N1087N1087-S1089 PolarHBondContact O-N 3.47Å; N1087-S1089 WeakPolarHBondContact OD1-CB 3.24Å; N1087-S1089 PolarHBondContact OD1-N 2.94Å; N1087-S1089 PolarHBondContact OD1-OG 2.88Å
1090A85.2Confident87Confident0 Ų065.2 Ų65.20%032%0.32CS..  trans-74.1140.2174.200000110Y1081 K1082 C1085 N1087 V1112 P1114Y1081-A1090 HydrophobicContact CD1-CB 3.99Å; Y1081-A1090 HydrophobicContact CE1-CB 3.81Å; K1082-A1090 WeakPolarHBondContact CE-O 3.42Å; K1082-A1090 WeakPolarHBondContact CG-O 3.49Å; C1085-A1090 HydrophobicContact CB-CB 3.87Å; N1087-A1090 PolarHBondContact O-N 3.33Å; A1090-V1112 WeakPolarHBondContact CA-O 3.48Å; A1090-P1114 HydrophobicContact CB-CG 4.27Å
1091Q88.3Confident86.9Confident91 Ų9166 Ų6643%0.42532%0.324SS..EExtended strand (participates in β ladder)trans-140.8143.2178.4-66.3-177.9-500110.6D1078 C1111 V1112D1078-Q1091 WeakPolarHBondContact OD1-CA 3.22Å; Q1091-C1111 CarbonylContact O-C 3.42Å; Q1091-C1111 WeakPolarHBondContact O-CA 3.41Å; Q1091-V1112 HydrophobicContact CB-CB 4.29Å; Q1091-V1112 HydrophobicContact CB-CG2 4.33Å; Q1091-V1112 PolarHBondContact N-O 3.04Å; Q1091-V1112 PolarHBondContact O-N 3.43Å
1092A89.9Confident86.8Confident2 Ų266.2 Ų66.22%0.01733%0.325CS..EExtended strand (participates in β ladder)trans-132.5127.1174.800000109.8I1077 D1078 Y1081 Y1109I1077-A1092 HydrophobicContact CG1-CB 4.02Å; D1078-A1092 PolarHBondContact OD1-N 2.93Å; D1078-A1092 VanDerWaalsContact OD1-N 3.14Å; Y1081-A1092 HydrophobicContact CD1-CB 3.75Å; Y1081-A1092 HydrophobicContact CD2-CB 4.46Å; Y1081-A1092 HydrophobicContact CE1-CB 4.45Å; Y1081-A1092 HydrophobicContact CG-CB 3.75Å; A1092-Y1109 HydrophobicContact CB-CE2 4.21Å
1093I89.9Confident86.7Confident80 Ų8063.6 Ų63.641%0.4131%0.313SS..EExtended strand (participates in β ladder)trans-128.2130.2-174.1-56.7172.7000109.3N1110I1093-N1110 PolarHBondContact N-O 3.31Å; I1093-N1110 PolarHBondContact O-N 2.98Å
1094L90.6Very high86.7Confident3 Ų364.2 Ų64.22%0.01632%0.322CS..EExtended strand (participates in β ladder)trans-104.5128.9168.3-75163.3000109F1070 V1073 M1074 I1077 I1107 N1108 Y1109 L1136F1070-L1094 HydrophobicContact CE2-CB 4.18Å; F1070-L1094 HydrophobicContact CZ-CB 4.46Å; V1073-L1094 HydrophobicContact CG1-CD1 3.69Å; M1074-L1094 HydrophobicContact CG-CB 4.43Å; I1077-L1094 HydrophobicContact CB-CD1 4.34Å; I1077-L1094 HydrophobicContact CG1-CD1 4.48Å; I1077-L1094 HydrophobicContact CG2-CD1 3.97Å; I1077-L1094 HydrophobicContact CG2-CG 4.4Å; L1094-I1107 HydrophobicContact CD2-CG2 3.79Å; L1094-N1108 WeakPolarHBondContact CA-O 3.39Å; L1094-Y1109 HydrophobicContact CD2-CD2 3.55Å; L1094-Y1109 HydrophobicContact CD2-CE2 4.46Å; L1094-Y1109 HydrophobicContact CD2-CG 3.91Å; L1094-Y1109 HydrophobicContact CG-CD2 3.9Å; L1094-Y1109 HydrophobicContact CG-CE2 4.49Å; L1094-L1136 HydrophobicContact CD1-CD1 3.98Å; L1094-L1136 HydrophobicContact CD2-CD1 4.37Å
1095S89.8Confident86.7Confident49 Ų4964.5 Ų64.534%0.34333%0.326SS..EExtended strand (participates in β ladder)trans-130.8137.2177.959.50000111.8I1107 N1108S1095-I1107 WeakPolarHBondContact O-CA 3.33Å; S1095-N1108 PolarHBondContact N-O 3.15Å; S1095-N1108 PolarHBondContact O-N 3.45Å
1096A90.8Very high86.9Confident28 Ų2864 Ų6423%0.23132%0.322CS..EExtended strand (participates in β ladder)trans-90.3134.4174.200000110.3F1070 N1098 P1102F1070-A1096 HydrophobicContact CE1-CB 4.19Å; F1070-A1096 HydrophobicContact CZ-CB 4.08Å; A1096-N1098 VanDerWaalsContact C-N 3.3Å; A1096-N1098 PolarHBondContact O-N 3.08Å; A1096-P1102 HydrophobicContact CB-CB 4.11Å
1097E88.9Confident87.3Confident113 Ų11357 Ų5753%0.52830%0.296SS..SBendtrans-65-33.9175.4-72.5173.7174.200112.8G1106E1097-G1106 WeakPolarHBondContact CG-O 3.33Å; E1097-G1106 PolarHBondContact N-O 2.87Å; E1097-G1106 WeakPolarHBondContact OE2-CA 3.11Å; E1097-G1106 PolarHBondContact OE2-N 3Å
1098N86.6Confident87.6Confident66 Ų6656.6 Ų56.635%0.35329%0.294SS..  trans-127.4105.8179-175.1-4.3000110.2A1096 E1100 E1101 P1102A1096-N1098 VanDerWaalsContact C-N 3.3Å; A1096-N1098 PolarHBondContact O-N 3.08Å; N1098-E1100 VanDerWaalsContact C-N 3.32Å; N1098-E1100 PolarHBondContact O-N 3.44Å; N1098-E1100 PolarHBondContact OD1-N 3.4Å; N1098-E1100 VanDerWaalsContact OD1-N 3.13Å; N1098-E1101 CarbonylContact O-C 3.49Å; N1098-P1102 WeakPolarHBondContact O-CA 3.46Å; N1098-P1102 WeakPolarHBondContact O-CB 3.35Å
1099P83.8Confident88.1Confident103 Ų10345.6 Ų45.667%0.66925%0.252SS*.SBendtrans-66.4-28.3-179.7-2233.6000114.5
1100E83.1Confident88.3Confident145 Ų14543.5 Ų43.568%0.67824%0.235SC*.SBendtrans-77.7-41.3-176-71.9-81.9146.600112.3F1063 N1098F1063-E1100 WeakPolarHBondContact CD2-O 3.39Å; F1063-E1100 WeakPolarHBondContact CE2-O 3.4Å; N1098-E1100 VanDerWaalsContact C-N 3.32Å; N1098-E1100 PolarHBondContact O-N 3.44Å; N1098-E1100 PolarHBondContact OD1-N 3.4Å; N1098-E1100 VanDerWaalsContact OD1-N 3.13Å
1101E87.5Confident88.4Confident30 Ų3043.5 Ų43.514%0.1424%0.235CC..SBendtrans-133.371.7177.5-63-165.5-177.400110.3Y168 K1059 N1098 Y1103 L1104Y168-E1101 PolarHBondContact OH-OE2 3.41Å; K1059-E1101 WeakPolarHBondContact CE-OE1 3.41Å; K1059-E1101 IonicContact NZ-OE1 3.75Å; K1059-E1101 PolarHBondContact NZ-OE1 3.22Å; N1098-E1101 CarbonylContact O-C 3.49Å; E1101-Y1103 VanDerWaalsContact C-N 3.26Å; E1101-Y1103 HydrophobicContact CB-CE2 4.04Å; E1101-Y1103 HydrophobicContact CG-CE2 4.44Å; E1101-Y1103 WeakPolarHBondContact CG-OH 3.46Å; E1101-Y1103 PolarHBondContact O-N 3.06Å; E1101-L1104 HydrophobicContact CB-CD1 4.31Å; E1101-L1104 HydrophobicContact CB-CG 4.44Å; E1101-L1104 PolarHBondContact O-N 2.97Å; E1101-L1104 VanDerWaalsContact O-N 3.07Å; E1101-L1104 WeakPolarHBondContact OE2-CD1 3.32Å
1102P88.4Confident88.4Confident6 Ų640.2 Ų40.24%0.03922%0.221CC..THydrogen-bonded Turntrans-67.3-26.2-170.228-37000113.1F1063 F1066 A1096 N1098 L1104 G1105F1063-P1102 HydrophobicContact CD2-CG 4.38Å; F1063-P1102 HydrophobicContact CE2-CG 4.17Å; F1066-P1102 HydrophobicContact CD1-CB 4.04Å; F1066-P1102 HydrophobicContact CD1-CG 3.56Å; F1066-P1102 HydrophobicContact CE1-CB 3.63Å; F1066-P1102 HydrophobicContact CE1-CG 3.72Å; A1096-P1102 HydrophobicContact CB-CB 4.11Å; N1098-P1102 WeakPolarHBondContact O-CA 3.46Å; N1098-P1102 WeakPolarHBondContact O-CB 3.35Å; P1102-L1104 PolarHBondContact O-N 3.13Å; P1102-G1105 PolarHBondContact O-N 2.91Å
1103Y88.6Confident87.9Confident7 Ų740.1 Ų40.13%0.02722%0.22CC..THydrogen-bonded Turntrans-70-10.5174.849.8-102.9000114.3E156 Y168 R1062 F1063 F1066 E1101E156-Y1103 WeakPolarHBondContact OE1-CB 3.2Å; Y168-Y1103 HydrophobicContact CE2-CE2 4.49Å; R1062-Y1103 HydrophobicContact CG-CD1 4.25Å; R1062-Y1103 HydrophobicContact CG-CE1 4.41Å; R1062-Y1103 HydrophobicContact CG-CG 4.37Å; F1063-Y1103 HydrophobicContact CB-CE1 3.89Å; F1063-Y1103 HydrophobicContact CD2-CE1 4.06Å; F1063-Y1103 HydrophobicContact CG-CE1 4.49Å; F1066-Y1103 HydrophobicContact CB-CD1 4.38Å; E1101-Y1103 VanDerWaalsContact C-N 3.26Å; E1101-Y1103 HydrophobicContact CB-CE2 4.04Å; E1101-Y1103 HydrophobicContact CG-CE2 4.44Å; E1101-Y1103 WeakPolarHBondContact CG-OH 3.46Å; E1101-Y1103 PolarHBondContact O-N 3.06Å
1104L87.9Confident87.4Confident86 Ų8638.9 Ų38.945%0.4522%0.218SC..THydrogen-bonded Turntrans-98.2-21.6170.6-63.6-176.3000112.8E1101 P1102E1101-L1104 HydrophobicContact CB-CD1 4.31Å; E1101-L1104 HydrophobicContact CB-CG 4.44Å; E1101-L1104 PolarHBondContact O-N 2.97Å; E1101-L1104 VanDerWaalsContact O-N 3.07Å; E1101-L1104 WeakPolarHBondContact OE2-CD1 3.32Å; P1102-L1104 PolarHBondContact O-N 3.13Å
1105G87.6Confident86.5Confident10 Ų1042.8 Ų42.810%0.10326%0.258CS..SBendtrans-91.5173.5-179.500000113.7T152 P1102T152-G1105 PolarHBondContact OG1-O 3.5Å; P1102-G1105 PolarHBondContact O-N 2.91Å
1106G89.7Confident85.9Confident1 Ų145.6 Ų45.61%0.0126%0.264CS..  trans-80.7145.5168.800000112.3E1097E1097-G1106 WeakPolarHBondContact CG-O 3.33Å; E1097-G1106 PolarHBondContact N-O 2.87Å; E1097-G1106 WeakPolarHBondContact OE2-CA 3.11Å; E1097-G1106 PolarHBondContact OE2-N 3Å
1107I90.6Very high85.2Confident0 Ų054.5 Ų54.50%029%0.292CS..EExtended strand (participates in β ladder)trans-101115.8165.1-69.7174000109P148 R151 T152 L155 F1066 F1070 L1094 S1095P148-I1107 WeakPolarHBondContact CA-O 3.46Å; P148-I1107 PolarHBondContact O-N 3.29Å; P148-I1107 VanDerWaalsContact O-N 3.14Å; R151-I1107 PolarHBondContact NH1-O 3.38Å; T152-I1107 PolarHBondContact OG1-N 2.73Å; L155-I1107 HydrophobicContact CD1-CD1 3.42Å; L155-I1107 VanDerWaalsContact CD1-CD1 3.42Å; F1066-I1107 HydrophobicContact CE1-CD1 4.04Å; F1066-I1107 HydrophobicContact CZ-CD1 3.53Å; F1070-I1107 HydrophobicContact CD2-CD1 3.51Å; F1070-I1107 HydrophobicContact CD2-CG1 4.36Å; F1070-I1107 HydrophobicContact CE2-CD1 3.6Å; F1070-I1107 HydrophobicContact CE2-CG1 3.96Å; F1070-I1107 HydrophobicContact CE2-CG2 3.83Å; F1070-I1107 HydrophobicContact CG-CD1 4.48Å; L1094-I1107 HydrophobicContact CD2-CG2 3.79Å; S1095-I1107 WeakPolarHBondContact O-CA 3.33Å
1108N89.5Confident84.6Confident52 Ų5255.1 Ų55.128%0.27829%0.293SS..EExtended strand (participates in β ladder)trans-86136.6175.6-69.7-40.3000110.1P148 L1094 S1095P148-N1108 VanDerWaalsContact CG-OD1 3.24Å; P148-N1108 WeakPolarHBondContact CG-OD1 3.4Å; L1094-N1108 WeakPolarHBondContact CA-O 3.39Å; S1095-N1108 PolarHBondContact N-O 3.15Å; S1095-N1108 PolarHBondContact O-N 3.45Å
1109Y90.1Very high83.8Confident5 Ų556.2 Ų56.22%0.0230%0.297CS..EExtended strand (participates in β ladder)trans-120.4119.1177.5-179.9-138.5000108.2I1077 A1092 L1094 C1111 M1121 A1132 L1136I1077-Y1109 HydrophobicContact CD1-CE2 4.5Å; I1077-Y1109 HydrophobicContact CG1-CE2 4.03Å; A1092-Y1109 HydrophobicContact CB-CE2 4.21Å; L1094-Y1109 HydrophobicContact CD2-CD2 3.55Å; L1094-Y1109 HydrophobicContact CD2-CE2 4.46Å; L1094-Y1109 HydrophobicContact CD2-CG 3.91Å; L1094-Y1109 HydrophobicContact CG-CD2 3.9Å; L1094-Y1109 HydrophobicContact CG-CE2 4.49Å; Y1109-C1111 VanDerWaalsContact CE2-SG 3.51Å; Y1109-C1111 PolarHBondContact OH-SG 3.42Å; Y1109-M1121 HydrophobicContact CD1-CE 3.67Å; Y1109-M1121 HydrophobicContact CD1-CG 4.36Å; Y1109-M1121 HydrophobicContact CD1-SD 3.99Å; Y1109-M1121 HydrophobicContact CE1-CE 3.6Å; Y1109-M1121 HydrophobicContact CE1-SD 4.11Å; Y1109-M1121 WeakPolarHBondContact O-CG 3.34Å; Y1109-A1132 HydrophobicContact CE1-CB 4.03Å; Y1109-A1132 PolarHBondContact OH-O 3.41Å; Y1109-L1136 HydrophobicContact CD1-CD2 4.17Å; Y1109-L1136 HydrophobicContact CE1-CB 4.21Å; Y1109-L1136 HydrophobicContact CE1-CD2 4.25Å
1110N88.4Confident83.3Confident37 Ų3753.9 Ų53.920%0.19828%0.283CS..EExtended strand (participates in β ladder)trans-128.3138-177.3-64.6-46.3000109.8I1093 F1118I1093-N1110 PolarHBondContact N-O 3.31Å; I1093-N1110 PolarHBondContact O-N 2.98Å; N1110-F1118 HydrophobicContact CB-CE2 3.85Å; N1110-F1118 HydrophobicContact CB-CZ 3.68Å
1111C87Confident83.1Confident0 Ų047.3 Ų47.30%025%0.253CS..EExtended strand (participates in β ladder)trans-129.9146.6-178.7-60.80000111.5Y1081 Q1091 Y1109 M1121 L1124Y1081-C1111 HydrophobicContact CE1-CB 4.42Å; Q1091-C1111 CarbonylContact O-C 3.42Å; Q1091-C1111 WeakPolarHBondContact O-CA 3.41Å; Y1109-C1111 VanDerWaalsContact CE2-SG 3.51Å; Y1109-C1111 PolarHBondContact OH-SG 3.42Å; C1111-M1121 HydrophobicContact CB-SD 4.05Å; C1111-L1124 HydrophobicContact CB-CD1 4.17Å
1112V87.6Confident82.8Confident21 Ų2150.9 Ų50.913%0.12727%0.273CS..EExtended strand (participates in β ladder)trans-112.1109.7171.7-173.60000107.6A1090 Q1091 K1116 F1118A1090-V1112 WeakPolarHBondContact CA-O 3.48Å; Q1091-V1112 HydrophobicContact CB-CB 4.29Å; Q1091-V1112 HydrophobicContact CB-CG2 4.33Å; Q1091-V1112 PolarHBondContact N-O 3.04Å; Q1091-V1112 PolarHBondContact O-N 3.43Å; V1112-K1116 WeakPolarHBondContact CG1-O 3.37Å; V1112-F1118 HydrophobicContact CG2-CB 4.39Å; V1112-F1118 HydrophobicContact CG2-CD2 3.84Å
1113A79.9Confident82.4Confident1 Ų156.3 Ų56.31%0.00830%0.301CS..  trans-72.3152.217500000111.2G1115 K1116 L1124 E1128A1113-G1115 PolarHBondContact O-N 3.37Å; A1113-K1116 HydrophobicContact CB-CB 4.37Å; A1113-K1116 HydrophobicContact CB-CD 4.18Å; A1113-K1116 PolarHBondContact O-N 2.98Å; A1113-K1116 VanDerWaalsContact O-N 3.07Å; A1113-L1124 HydrophobicContact CB-CD2 4.3Å; A1113-E1128 HydrophobicContact CB-CG 4.25Å; A1113-E1128 WeakPolarHBondContact CB-OE1 3.48Å
1114P79.4Confident81.9Confident54 Ų5456.6 Ų56.635%0.35130%0.303SS..THydrogen-bonded Turntrans-51.1124.2177.7-27.234.3000112.9C1085 N1087 A1090 K1116C1085-P1114 HydrophobicContact CB-CG 4.25Å; N1087-P1114 HydrophobicContact CB-CB 4.38Å; N1087-P1114 HydrophobicContact CB-CG 4.16Å; A1090-P1114 HydrophobicContact CB-CG 4.27Å; P1114-K1116 VanDerWaalsContact C-N 3.26Å; P1114-K1116 PolarHBondContact O-N 3.45Å
1115G71.5Confident81.7Confident84 Ų8455.7 Ų55.787%0.86630%0.304SS*.THydrogen-bonded Turntrans75.34.4177.500000115.6A1113A1113-G1115 PolarHBondContact O-N 3.37Å
1116K76.8Confident81.3Confident108 Ų10856.6 Ų56.647%0.4731%0.313SS..  trans-110.1161.2177.1-66.8-173.3-177.8169.30112.1V1112 A1113 P1114 E1128V1112-K1116 WeakPolarHBondContact CG1-O 3.37Å; A1113-K1116 HydrophobicContact CB-CB 4.37Å; A1113-K1116 HydrophobicContact CB-CD 4.18Å; A1113-K1116 PolarHBondContact O-N 2.98Å; A1113-K1116 VanDerWaalsContact O-N 3.07Å; P1114-K1116 VanDerWaalsContact C-N 3.26Å; P1114-K1116 PolarHBondContact O-N 3.45Å; K1116-E1128 WeakPolarHBondContact CE-OE1 3.41Å; K1116-E1128 IonicContact NZ-OE1 2.76Å; K1116-E1128 PolarHBondContact NZ-OE1 3.08Å; K1116-E1128 IonicContact NZ-OE2 2.68Å; K1116-E1128 PolarHBondContact NZ-OE2 2.98Å
1117R77Confident80.8Confident216 Ų21656.9 Ų56.982%0.81532%0.316SS*.  trans-80.4163.6173.8-64.8-176.6-179.8179.20.3110.7M1119R1117-M1119 WeakPolarHBondContact O-CG 3.5Å; R1117-M1119 PolarHBondContact O-N 2.92Å
1118F76.4Confident80.5Confident126 Ų12658.4 Ų58.455%0.55332%0.323SS*.  trans-55.3121.3174.7-174.2-91.1000111.3N1110 V1112N1110-F1118 HydrophobicContact CB-CE2 3.85Å; N1110-F1118 HydrophobicContact CB-CZ 3.68Å; V1112-F1118 HydrophobicContact CG2-CB 4.39Å; V1112-F1118 HydrophobicContact CG2-CD2 3.84Å
1119M68.6Low80.4Confident89 Ų8957.5 Ų57.544%0.43832%0.317SS..BIsolated β-bridgetrans-137.5152.5-178.7-65.6-132.915900111R1117 N1123R1117-M1119 WeakPolarHBondContact O-CG 3.5Å; R1117-M1119 PolarHBondContact O-N 2.92Å; M1119-N1123 HydrophobicContact CB-CB 4.45Å; M1119-N1123 HydrophobicContact SD-CB 4.14Å
1120S74.6Confident80.1Confident53 Ų5357.3 Ų57.337%0.37132%0.317SS..  trans-65.6152169.3-177.90000110.5D1122 N1123S1120-D1122 PolarHBondContact O-N 3.3Å; S1120-D1122 VanDerWaalsContact O-N 3.15Å; S1120-N1123 PolarHBondContact O-N 2.89Å
1121M78.2Confident80.1Confident8 Ų856.1 Ų56.14%0.03931%0.31CS..G310 helixtrans-55.3-33.1-179-68.7-67.8-69.600113A144 Y1109 C1111 N1123 L1124 K1129 A1132A144-M1121 HydrophobicContact CB-CE 3.55Å; Y1109-M1121 HydrophobicContact CD1-CE 3.67Å; Y1109-M1121 HydrophobicContact CD1-CG 4.36Å; Y1109-M1121 HydrophobicContact CD1-SD 3.99Å; Y1109-M1121 HydrophobicContact CE1-CE 3.6Å; Y1109-M1121 HydrophobicContact CE1-SD 4.11Å; Y1109-M1121 WeakPolarHBondContact O-CG 3.34Å; C1111-M1121 HydrophobicContact CB-SD 4.05Å; M1121-N1123 PolarHBondContact O-N 3.46Å; M1121-L1124 HydrophobicContact CE-CD1 4.47Å; M1121-L1124 PolarHBondContact O-N 2.79Å; M1121-L1124 HydrophobicContact SD-CD1 3.66Å; M1121-K1129 WeakPolarHBondContact O-CE 3.5Å; M1121-A1132 HydrophobicContact CE-CB 3.74Å; M1121-A1132 HydrophobicContact SD-CB 4.45Å
1122D80.3Confident80.1Confident105 Ų10556.1 Ų56.156%0.56131%0.31SS*.G310 helixtrans-62.2-31.3-179.8-60.7-37.5000113.1S1120 K1129S1120-D1122 PolarHBondContact O-N 3.3Å; S1120-D1122 VanDerWaalsContact O-N 3.15Å; D1122-K1129 PolarHBondContact O-NZ 2.98Å
1123N79.9Confident80.1Confident120 Ų12055.2 Ų55.264%0.64231%0.305SS*.G310 helixtrans-89.8-1.2-175.4-66-18.7000113.6M1119 S1120 M1121M1119-N1123 HydrophobicContact CB-CB 4.45Å; M1119-N1123 HydrophobicContact SD-CB 4.14Å; S1120-N1123 PolarHBondContact O-N 2.89Å; M1121-N1123 PolarHBondContact O-N 3.46Å
1124L79.8Confident80.4Confident13 Ų1355.3 Ų55.37%0.06831%0.305CS..SBendtrans-79.1154.8175.8-70.1170000111.8C1111 A1113 M1121 E1128 K1129C1111-L1124 HydrophobicContact CB-CD1 4.17Å; A1113-L1124 HydrophobicContact CB-CD2 4.3Å; M1121-L1124 HydrophobicContact CE-CD1 4.47Å; M1121-L1124 PolarHBondContact O-N 2.79Å; M1121-L1124 HydrophobicContact SD-CD1 3.66Å; L1124-E1128 HydrophobicContact CB-CB 4.17Å; L1124-E1128 HydrophobicContact CD2-CB 4.36Å; L1124-K1129 HydrophobicContact CB-CG 3.92Å; L1124-K1129 WeakPolarHBondContact O-CE 3.39Å; L1124-K1129 PolarHBondContact O-NZ 3.38Å
1125S82.4Confident80.9Confident67 Ų6752.7 Ų52.747%0.46929%0.288SS..  trans-63.3152.91721760000111.2G1127 E1128 K1129S1125-G1127 VanDerWaalsContact C-N 3.28Å; S1125-G1127 PolarHBondContact O-N 2.91Å; S1125-E1128 WeakPolarHBondContact CB-OE2 3.33Å; S1125-E1128 PolarHBondContact N-OE2 2.97Å; S1125-E1128 PolarHBondContact O-N 3.4Å; S1125-K1129 WeakPolarHBondContact O-CG 3.39Å; S1125-K1129 PolarHBondContact O-N 3.4Å
1126G79.2Confident81.7Confident29 Ų2948.8 Ų48.830%0.29925%0.247SC..Hα-helixtrans-53.3-42.9175.600000113.1E1128 K1129 A1130G1126-E1128 PolarHBondContact O-N 2.72Å; G1126-K1129 WeakPolarHBondContact O-CB 3.42Å; G1126-K1129 PolarHBondContact O-N 2.78Å; G1126-A1130 PolarHBondContact O-N 3.39Å
1127G80.6Confident82.2Confident7 Ų744.7 Ų44.77%0.07223%0.231CC..Hα-helixtrans-66.4-36.2175.700000113.7S1125 A1130 I1131 A1157S1125-G1127 VanDerWaalsContact C-N 3.28Å; S1125-G1127 PolarHBondContact O-N 2.91Å; G1127-A1130 PolarHBondContact O-N 2.88Å; G1127-I1131 WeakPolarHBondContact O-CG1 3.28Å; G1127-I1131 PolarHBondContact O-N 2.77Å; G1127-I1131 VanDerWaalsContact O-N 3.08Å; G1127-A1157 VanDerWaalsContact CA-O 3.26Å; G1127-A1157 WeakPolarHBondContact CA-O 3.44Å
1128E84.3Confident82.7Confident31 Ų3134.8 Ų34.815%0.14519%0.193CC..Hα-helixtrans-70.2-38.8175.9-67.9169.4157.200111.2A1113 K1116 L1124 S1125 G1126 A1130 I1131 A1132A1113-E1128 HydrophobicContact CB-CG 4.25Å; A1113-E1128 WeakPolarHBondContact CB-OE1 3.48Å; K1116-E1128 WeakPolarHBondContact CE-OE1 3.41Å; K1116-E1128 IonicContact NZ-OE1 2.76Å; K1116-E1128 PolarHBondContact NZ-OE1 3.08Å; K1116-E1128 IonicContact NZ-OE2 2.68Å; K1116-E1128 PolarHBondContact NZ-OE2 2.98Å; L1124-E1128 HydrophobicContact CB-CB 4.17Å; L1124-E1128 HydrophobicContact CD2-CB 4.36Å; S1125-E1128 WeakPolarHBondContact CB-OE2 3.33Å; S1125-E1128 PolarHBondContact N-OE2 2.97Å; S1125-E1128 PolarHBondContact O-N 3.4Å; G1126-E1128 PolarHBondContact O-N 2.72Å; E1128-A1130 VanDerWaalsContact C-N 3.32Å; E1128-I1131 PolarHBondContact O-N 3.49Å; E1128-A1132 WeakPolarHBondContact O-CB 3.25Å; E1128-A1132 PolarHBondContact O-N 2.92Å
1129K85.8Confident83.3Confident33 Ų3328.8 Ų28.814%0.14317%0.167CC..Hα-helixtrans-60.6-42.6172.7-72.2169.9172.9166.40111.1L145 M1121 D1122 L1124 S1125 G1126 A1132 A1133L145-K1129 HydrophobicContact CD2-CD 4.48Å; M1121-K1129 WeakPolarHBondContact O-CE 3.5Å; D1122-K1129 PolarHBondContact O-NZ 2.98Å; L1124-K1129 HydrophobicContact CB-CG 3.92Å; L1124-K1129 WeakPolarHBondContact O-CE 3.39Å; L1124-K1129 PolarHBondContact O-NZ 3.38Å; S1125-K1129 WeakPolarHBondContact O-CG 3.39Å; S1125-K1129 PolarHBondContact O-N 3.4Å; G1126-K1129 WeakPolarHBondContact O-CB 3.42Å; G1126-K1129 PolarHBondContact O-N 2.78Å; K1129-A1132 PolarHBondContact O-N 3.24Å; K1129-A1133 VanDerWaalsContact O-CB 3.31Å; K1129-A1133 WeakPolarHBondContact O-CB 3.33Å; K1129-A1133 PolarHBondContact O-N 2.88Å
1130A85.2Confident84.1Confident2 Ų225.3 Ų25.32%0.01715%0.15CC..Hα-helixtrans-63.2-43.2176.900000112.1V140 G1126 G1127 E1128 A1133 L1134 L1158V140-A1130 HydrophobicContact CG1-CB 4.26Å; G1126-A1130 PolarHBondContact O-N 3.39Å; G1127-A1130 PolarHBondContact O-N 2.88Å; E1128-A1130 VanDerWaalsContact C-N 3.32Å; A1130-A1133 PolarHBondContact O-N 3.49Å; A1130-L1134 WeakPolarHBondContact O-CB 3.46Å; A1130-L1134 VanDerWaalsContact O-CG 3.3Å; A1130-L1134 WeakPolarHBondContact O-CG 3.31Å; A1130-L1134 PolarHBondContact O-N 3.45Å; A1130-L1158 HydrophobicContact CB-CD2 3.91Å; A1130-L1158 HydrophobicContact CB-CG 4.36Å
1131I87.3Confident84.5Confident11 Ų1123.3 Ų23.36%0.05614%0.135CC..Hα-helixtrans-64.2-44.4176.3-66.5166.7000111.5Y1081 I1084 G1127 E1128 L1134 A1135 L1158 N1162Y1081-I1131 HydrophobicContact CD2-CG2 4.3Å; Y1081-I1131 HydrophobicContact CE2-CG2 3.9Å; I1084-I1131 HydrophobicContact CG2-CG2 3.76Å; G1127-I1131 WeakPolarHBondContact O-CG1 3.28Å; G1127-I1131 PolarHBondContact O-N 2.77Å; G1127-I1131 VanDerWaalsContact O-N 3.08Å; E1128-I1131 PolarHBondContact O-N 3.49Å; I1131-L1134 PolarHBondContact O-N 3.46Å; I1131-A1135 WeakPolarHBondContact O-CB 3.26Å; I1131-A1135 PolarHBondContact O-N 2.87Å; I1131-L1158 HydrophobicContact CD1-CD2 4.36Å; I1131-L1158 HydrophobicContact CG1-CD2 3.86Å; I1131-N1162 HydrophobicContact CD1-CB 3.97Å
1132A88Confident84.9Confident0 Ų025.1 Ų25.10%015%0.149CC..Hα-helixtrans-64.5-41177.500000111.8Y1081 Y1109 M1121 E1128 K1129 A1135 L1136Y1081-A1132 HydrophobicContact CE2-CB 4.06Å; Y1109-A1132 HydrophobicContact CE1-CB 4.03Å; Y1109-A1132 PolarHBondContact OH-O 3.41Å; M1121-A1132 HydrophobicContact CE-CB 3.74Å; M1121-A1132 HydrophobicContact SD-CB 4.45Å; E1128-A1132 WeakPolarHBondContact O-CB 3.25Å; E1128-A1132 PolarHBondContact O-N 2.92Å; K1129-A1132 PolarHBondContact O-N 3.24Å; A1132-A1135 PolarHBondContact O-N 3Å; A1132-L1136 PolarHBondContact O-N 2.91Å
1133A87.5Confident85.1Confident2 Ų222.9 Ų22.92%0.01713%0.134CC..Hα-helixtrans-61.5-45174.100000112.4V140 A144 K1129 A1130 L1136 L1137V140-A1133 HydrophobicContact CG1-CB 3.7Å; V140-A1133 WeakPolarHBondContact O-CB 3.11Å; A144-A1133 HydrophobicContact CB-CB 3.91Å; K1129-A1133 VanDerWaalsContact O-CB 3.31Å; K1129-A1133 WeakPolarHBondContact O-CB 3.33Å; K1129-A1133 PolarHBondContact O-N 2.88Å; A1130-A1133 PolarHBondContact O-N 3.49Å; A1133-L1136 PolarHBondContact O-N 3.44Å; A1133-L1137 VanDerWaalsContact O-CB 3.29Å; A1133-L1137 WeakPolarHBondContact O-CB 3.27Å; A1133-L1137 PolarHBondContact O-N 3.17Å
1134L86.8Confident85.2Confident3 Ų320.3 Ų20.32%0.01612%0.115CC..Hα-helixtrans-61.2-44.2175.8-73.5170.6000111.1V140 A1130 I1131 L1136 L1137 F1138 L1151 V1166V140-L1134 HydrophobicContact CG1-CG 4.27Å; A1130-L1134 WeakPolarHBondContact O-CB 3.46Å; A1130-L1134 VanDerWaalsContact O-CG 3.3Å; A1130-L1134 WeakPolarHBondContact O-CG 3.31Å; A1130-L1134 PolarHBondContact O-N 3.45Å; I1131-L1134 PolarHBondContact O-N 3.46Å; L1134-L1136 PolarHBondContact O-N 3.44Å; L1134-L1137 WeakPolarHBondContact O-CB 3.43Å; L1134-L1137 PolarHBondContact O-N 3.03Å; L1134-F1138 HydrophobicContact CB-CD2 4.46Å; L1134-F1138 HydrophobicContact CB-CE2 4.33Å; L1134-F1138 HydrophobicContact CD2-CE2 4.48Å; L1134-F1138 WeakPolarHBondContact O-CD2 3.23Å; L1134-F1138 PolarHBondContact O-N 3.32Å; L1134-L1151 HydrophobicContact CD2-CD2 4.41Å; L1134-V1166 HydrophobicContact CD1-CG1 4.07Å
1135A89.4Confident85.3Confident0 Ų023.5 Ų23.50%014%0.137CC..Hα-helixtrans-60.7-45.1176.900000112.2I1077 I1080 Y1081 I1084 I1131 A1132 L1137 F1138 A1139I1077-A1135 HydrophobicContact CD1-CB 3.79Å; I1077-A1135 VanDerWaalsContact CD1-O 3.26Å; I1077-A1135 WeakPolarHBondContact CD1-O 3.2Å; I1080-A1135 HydrophobicContact CG2-CB 4.2Å; Y1081-A1135 HydrophobicContact CD2-CB 3.74Å; Y1081-A1135 HydrophobicContact CG-CB 4.39Å; I1084-A1135 HydrophobicContact CD1-CB 4.01Å; I1131-A1135 WeakPolarHBondContact O-CB 3.26Å; I1131-A1135 PolarHBondContact O-N 2.87Å; A1132-A1135 PolarHBondContact O-N 3Å; A1135-L1137 VanDerWaalsContact C-N 3.27Å; A1135-L1137 PolarHBondContact O-N 3.16Å; A1135-F1138 PolarHBondContact O-N 3.18Å; A1135-A1139 WeakPolarHBondContact O-CB 3.37Å; A1135-A1139 PolarHBondContact O-N 3.27Å
1136L88.5Confident85.3Confident1 Ų120.5 Ų20.51%0.00512%0.116CC..Hα-helixtrans-61.1-40.4176.5-179.760.2000111.4I143 V1073 I1077 L1094 Y1109 A1132 A1133 L1134 A1139 I1140I143-L1136 HydrophobicContact CG2-CD2 4.36Å; V1073-L1136 HydrophobicContact CG1-CD1 4.31Å; I1077-L1136 VanDerWaalsContact CD1-CA 3.44Å; I1077-L1136 HydrophobicContact CD1-CB 4.24Å; I1077-L1136 VanDerWaalsContact CD1-N 3.31Å; L1094-L1136 HydrophobicContact CD1-CD1 3.98Å; L1094-L1136 HydrophobicContact CD2-CD1 4.37Å; Y1109-L1136 HydrophobicContact CD1-CD2 4.17Å; Y1109-L1136 HydrophobicContact CE1-CB 4.21Å; Y1109-L1136 HydrophobicContact CE1-CD2 4.25Å; A1132-L1136 PolarHBondContact O-N 2.91Å; A1133-L1136 PolarHBondContact O-N 3.44Å; L1134-L1136 PolarHBondContact O-N 3.44Å; L1136-A1139 PolarHBondContact O-N 2.93Å; L1136-I1140 HydrophobicContact CD1-CD1 4.32Å; L1136-I1140 HydrophobicContact CG-CD1 4.13Å; L1136-I1140 WeakPolarHBondContact O-CG1 3.12Å; L1136-I1140 PolarHBondContact O-N 3.22Å
1137L86.6Confident85.5Confident23 Ų2320 Ų2012%0.1211%0.108CC..Hα-helixtrans-66.3-45.8179.6-169.6152.2000111.5V135 I143 A1133 L1134 A1135 A1139 I1140 H1141 F1149V135-L1137 HydrophobicContact CG2-CD1 3.42Å; V135-L1137 VanDerWaalsContact CG2-CD1 3.42Å; I143-L1137 HydrophobicContact CD1-CD1 4.13Å; A1133-L1137 VanDerWaalsContact O-CB 3.29Å; A1133-L1137 WeakPolarHBondContact O-CB 3.27Å; A1133-L1137 PolarHBondContact O-N 3.17Å; L1134-L1137 WeakPolarHBondContact O-CB 3.43Å; L1134-L1137 PolarHBondContact O-N 3.03Å; A1135-L1137 VanDerWaalsContact C-N 3.27Å; A1135-L1137 PolarHBondContact O-N 3.16Å; L1137-A1139 VanDerWaalsContact C-N 3.32Å; L1137-A1139 PolarHBondContact O-N 3.23Å; L1137-I1140 WeakPolarHBondContact O-CB 3.26Å; L1137-I1140 PolarHBondContact O-N 3.17Å; L1137-H1141 PolarHBondContact O-N 3.04Å; L1137-F1149 HydrophobicContact CD1-CZ 3.78Å; L1137-F1149 HydrophobicContact CD2-CD1 4.38Å; L1137-F1149 HydrophobicContact CD2-CD2 4.49Å; L1137-F1149 HydrophobicContact CD2-CE1 3.34Å; L1137-F1149 HydrophobicContact CD2-CE2 3.55Å; L1137-F1149 HydrophobicContact CD2-CZ 2.92Å; L1137-F1149 HydrophobicContact CG-CZ 3.89Å
1138F86.9Confident85.8Confident7 Ų719.9 Ų19.93%0.03111%0.105CC..Hα-helixtrans-66.3-34.4177.1-74.1-62.8000112I1080 I1084 L1134 A1135 I1140 H1141 S1142 F1149 F1169 I1170 M1178 I1180I1080-F1138 HydrophobicContact CD1-CB 3.99Å; I1080-F1138 HydrophobicContact CG2-CB 4.05Å; I1084-F1138 HydrophobicContact CD1-CD2 4.26Å; L1134-F1138 HydrophobicContact CB-CD2 4.46Å; L1134-F1138 HydrophobicContact CB-CE2 4.33Å; L1134-F1138 HydrophobicContact CD2-CE2 4.48Å; L1134-F1138 WeakPolarHBondContact O-CD2 3.23Å; L1134-F1138 PolarHBondContact O-N 3.32Å; A1135-F1138 PolarHBondContact O-N 3.18Å; F1138-I1140 VanDerWaalsContact C-N 3.34Å; F1138-H1141 WeakPolarHBondContact O-CB 3.44Å; F1138-H1141 PolarHBondContact O-N 3.44Å; F1138-S1142 PolarHBondContact O-N 3.48Å; F1138-F1149 HydrophobicContact CE1-CD1 4.35Å; F1138-F1169 HydrophobicContact CD1-CE1 4.43Å; F1138-F1169 AromaticContact CD2-CE1 3.67Å; F1138-F1169 HydrophobicContact CD2-CE1 3.67Å; F1138-F1169 HydrophobicContact CD2-CZ 4.49Å; F1138-F1169 HydrophobicContact CE2-CD1 4.27Å; F1138-F1169 AromaticContact CE2-CE1 3.8Å; F1138-F1169 HydrophobicContact CE2-CE1 3.8Å; F1138-F1169 HydrophobicContact CG-CE1 4.03Å; F1138-F1169 HydrophobicContact CZ-CE1 4.23Å; F1138-I1170 HydrophobicContact CZ-CG1 4.13Å; F1138-M1178 HydrophobicContact CD1-CE 3.98Å; F1138-M1178 HydrophobicContact CD1-SD 4.42Å; F1138-M1178 HydrophobicContact CE1-CE 4.17Å; F1138-M1178 HydrophobicContact CE1-SD 4.13Å; F1138-I1180 HydrophobicContact CE1-CD1 4.49Å
1139A89.1Confident86.1Confident0 Ų018.4 Ų18.40%010%0.098CC..Hα-helixtrans-67.9-33173.600000112.8V1073 V1076 I1077 I1080 A1135 L1136 L1137 S1142V1073-A1139 HydrophobicContact CG1-CB 4.02Å; V1076-A1139 HydrophobicContact CG1-CB 4.41Å; I1077-A1139 HydrophobicContact CB-CB 3.98Å; I1077-A1139 HydrophobicContact CD1-CB 3.89Å; I1080-A1139 HydrophobicContact CD1-CB 4.2Å; A1135-A1139 WeakPolarHBondContact O-CB 3.37Å; A1135-A1139 PolarHBondContact O-N 3.27Å; L1136-A1139 PolarHBondContact O-N 2.93Å; L1137-A1139 VanDerWaalsContact C-N 3.32Å; L1137-A1139 PolarHBondContact O-N 3.23Å; A1139-S1142 PolarHBondContact O-OG 3.17Å
1140I85.9Confident86.2Confident16 Ų1617.2 Ų17.28%0.0829%0.093CC..Hα-helixtrans-67.9-42171.4-77.1166.4000110.6M154 L155 I158 V1073 L1136 L1137 F1138 S1142 F1143 R1144M154-I1140 HydrophobicContact CE-CD1 3.61Å; L155-I1140 HydrophobicContact CD2-CD1 4.23Å; L155-I1140 HydrophobicContact CD2-CG1 4.05Å; I158-I1140 HydrophobicContact CD1-CB 4.44Å; I158-I1140 HydrophobicContact CD1-CD1 4.01Å; I158-I1140 HydrophobicContact CD1-CG1 4.23Å; I158-I1140 HydrophobicContact CD1-CG2 3.41Å; I158-I1140 VanDerWaalsContact CD1-CG2 3.41Å; I158-I1140 HydrophobicContact CG1-CG2 4.17Å; I158-I1140 HydrophobicContact CG2-CG2 4.2Å; V1073-I1140 HydrophobicContact CG1-CG1 4.42Å; V1073-I1140 HydrophobicContact CG2-CG1 4.48Å; L1136-I1140 HydrophobicContact CD1-CD1 4.32Å; L1136-I1140 HydrophobicContact CG-CD1 4.13Å; L1136-I1140 WeakPolarHBondContact O-CG1 3.12Å; L1136-I1140 PolarHBondContact O-N 3.22Å; L1137-I1140 WeakPolarHBondContact O-CB 3.26Å; L1137-I1140 PolarHBondContact O-N 3.17Å; F1138-I1140 VanDerWaalsContact C-N 3.34Å; I1140-S1142 VanDerWaalsContact C-N 3.3Å; I1140-S1142 PolarHBondContact O-N 3.35Å; I1140-F1143 PolarHBondContact O-N 3.42Å; I1140-R1144 PolarHBondContact O-N 3.27Å
1141H83.4Confident86.3Confident11 Ų1117.1 Ų17.15%0.0519%0.093CC..Hα-helixtrans-62.5-36.6178.4-176.297.4000112.2L1137 F1138 F1143 R1144 P1145 A1146L1137-H1141 PolarHBondContact O-N 3.04Å; F1138-H1141 WeakPolarHBondContact O-CB 3.44Å; F1138-H1141 PolarHBondContact O-N 3.44Å; H1141-F1143 PolarHBondContact O-N 3.12Å; H1141-R1144 CarbonylContact O-C 3.57Å; H1141-R1144 PolarHBondContact O-N 3.44Å; H1141-P1145 VanDerWaalsContact O-CA 3.28Å; H1141-P1145 WeakPolarHBondContact O-CA 3.35Å; H1141-P1145 VanDerWaalsContact O-N 3.1Å; H1141-A1146 PolarHBondContact CE1-N 2.86Å; H1141-A1146 PolarHBondContact CE1-O 2.84Å
1142S85.6Confident86.4Confident47 Ų4716.8 Ų16.833%0.3299%0.091SC..Hα-helixtrans-61.2-29.1178.573.70000113.3H1072 F1138 A1139 I1140H1072-S1142 PolarHBondContact NE2-OG 3.38Å; F1138-S1142 PolarHBondContact O-N 3.48Å; A1139-S1142 PolarHBondContact O-OG 3.17Å; I1140-S1142 VanDerWaalsContact C-N 3.3Å; I1140-S1142 PolarHBondContact O-N 3.35Å
1143F85.3Confident86.2Confident57 Ų5718.4 Ų18.425%0.2510%0.098CC..Hα-helixtrans-75.6-41.2176.8-179.2-106.1000112.6I158 C159 C1069 H1072 V1073 I1140 H1141I158-F1143 HydrophobicContact CG2-CD1 4.37Å; C159-F1143 HydrophobicContact CB-CE1 4.33Å; C1069-F1143 HydrophobicContact CB-CD1 4.04Å; C1069-F1143 HydrophobicContact CB-CD2 4.44Å; C1069-F1143 HydrophobicContact CB-CE1 3.62Å; C1069-F1143 HydrophobicContact CB-CE2 4.06Å; C1069-F1143 HydrophobicContact CB-CG 4.43Å; C1069-F1143 HydrophobicContact CB-CZ 3.63Å; C1069-F1143 VanDerWaalsContact SG-CD1 3.59Å; H1072-F1143 HydrophobicContact CB-CD2 3.93Å; H1072-F1143 AromaticContact CG-CD2 3.95Å; V1073-F1143 HydrophobicContact CG2-CB 4.45Å; I1140-F1143 PolarHBondContact O-N 3.42Å; H1141-F1143 PolarHBondContact O-N 3.12Å
1144R80.9Confident85.9Confident66 Ų6618.6 Ų18.625%0.24910%0.099CC..SBendtrans-131.689.3177.8-85-118.2-175.4156.44.1108.9Q160 I1140 H1141 A1146Q160-R1144 VanDerWaalsContact NE2-NH1 3.12Å; I1140-R1144 PolarHBondContact O-N 3.27Å; H1141-R1144 CarbonylContact O-C 3.57Å; H1141-R1144 PolarHBondContact O-N 3.44Å; R1144-A1146 PolarHBondContact O-N 2.97Å
1145P81.6Confident85.7Confident81 Ų8118.8 Ų18.853%0.52610%0.1SC..  trans-66.8127-175.526.2-33.1000109.8H1141H1141-P1145 VanDerWaalsContact O-CA 3.28Å; H1141-P1145 WeakPolarHBondContact O-CA 3.35Å; H1141-P1145 VanDerWaalsContact O-N 3.1Å
1146A83Confident85.1Confident3 Ų322.6 Ų22.63%0.02513%0.132CC..  trans-91144.4167.500000108.8C133 H1141 R1144 F1148C133-A1146 HydrophobicContact CB-CB 3.97Å; H1141-A1146 PolarHBondContact CE1-N 2.86Å; H1141-A1146 PolarHBondContact CE1-O 2.84Å; R1144-A1146 PolarHBondContact O-N 2.97Å; A1146-F1148 PolarHBondContact O-N 3.23Å
1147P83.5Confident84.5Confident20 Ų2024.3 Ų24.313%0.1315%0.146CC..SBendtrans-69.1-25.8-174.128.8-37.4000113.1F84 I124 I126 Q1179F84-P1147 HydrophobicContact CE2-CB 3.54Å; F84-P1147 HydrophobicContact CE2-CG 3.7Å; F84-P1147 HydrophobicContact CZ-CB 3.62Å; F84-P1147 HydrophobicContact CZ-CG 3.87Å; I124-P1147 HydrophobicContact CG2-CG 3.82Å; I124-P1147 WeakPolarHBondContact O-CD 3.04Å; I126-P1147 HydrophobicContact CD1-CG 4.28Å; I126-P1147 HydrophobicContact CG1-CG 4.3Å; P1147-Q1179 PolarHBondContact O-N 3.05Å
1148F87.8Confident84.2Confident3 Ų323.5 Ų23.51%0.01314%0.142CC..EExtended strand (participates in β ladder)trans-141.4156.3173.462.4-94.7000110.6L4 L45 I49 I126 C133 A1146 I1150 Q1179L4-F1148 HydrophobicContact CB-CD1 3.86Å; L4-F1148 HydrophobicContact CB-CE1 4.31Å; L4-F1148 HydrophobicContact CB-CG 4.22Å; L45-F1148 HydrophobicContact CD1-CE2 4.12Å; L45-F1148 HydrophobicContact CD1-CZ 4.34Å; L45-F1148 HydrophobicContact CD2-CE2 4.23Å; I49-F1148 HydrophobicContact CD1-CE2 4.25Å; I49-F1148 HydrophobicContact CD1-CZ 4.05Å; I126-F1148 HydrophobicContact CD1-CE1 3.74Å; I126-F1148 HydrophobicContact CD1-CZ 3.87Å; C133-F1148 WeakPolarHBondContact CB-O 3.43Å; A1146-F1148 PolarHBondContact O-N 3.23Å; F1148-I1150 HydrophobicContact CD2-CD1 3.95Å; F1148-I1150 HydrophobicContact CD2-CG1 3.9Å; F1148-I1150 HydrophobicContact CE2-CD1 4.02Å; F1148-I1150 HydrophobicContact CE2-CG1 4.33Å; F1148-Q1179 CarbonylContact C-O 3.6Å; F1148-Q1179 VanDerWaalsContact CA-O 3.22Å; F1148-Q1179 WeakPolarHBondContact CA-O 3.45Å; F1148-Q1179 HydrophobicContact CB-CB 3.96Å; F1148-Q1179 HydrophobicContact CB-CG 4.37Å
1149F89.1Confident84.1Confident1 Ų126.3 Ų26.30%0.00416%0.157CC..EExtended strand (participates in β ladder)trans-137.3127.8-174.2-160.7-106.1000110.8N132 V135 L1137 F1138 L1151 M1178 Q1179 I1180 I1181N132-F1149 WeakPolarHBondContact O-CE2 3.39Å; V135-F1149 HydrophobicContact CG2-CE1 4.25Å; V135-F1149 HydrophobicContact CG2-CZ 3.6Å; L1137-F1149 HydrophobicContact CD1-CZ 3.78Å; L1137-F1149 HydrophobicContact CD2-CD1 4.38Å; L1137-F1149 HydrophobicContact CD2-CD2 4.49Å; L1137-F1149 HydrophobicContact CD2-CE1 3.34Å; L1137-F1149 HydrophobicContact CD2-CE2 3.55Å; L1137-F1149 HydrophobicContact CD2-CZ 2.92Å; L1137-F1149 HydrophobicContact CG-CZ 3.89Å; F1138-F1149 HydrophobicContact CE1-CD1 4.35Å; F1149-L1151 HydrophobicContact CD1-CD1 4.46Å; F1149-L1151 HydrophobicContact CD1-CD2 4.11Å; F1149-L1151 HydrophobicContact CD1-CG 4.08Å; F1149-L1151 HydrophobicContact CE1-CD1 4.34Å; F1149-L1151 HydrophobicContact CE1-CD2 3.34Å; F1149-L1151 HydrophobicContact CE1-CG 3.83Å; F1149-L1151 HydrophobicContact CZ-CD2 4.05Å; F1149-M1178 HydrophobicContact CB-SD 4.03Å; F1149-M1178 HydrophobicContact CG-SD 4.48Å; F1149-Q1179 PolarHBondContact N-O 2.87Å; F1149-I1180 WeakPolarHBondContact O-CA 3.43Å; F1149-I1181 PolarHBondContact O-N 3.2Å
1150I88.1Confident83.6Confident8 Ų830.5 Ų30.54%0.04118%0.18CC..EExtended strand (participates in β ladder)trans-123129.3-170.6-50-169.1000111.9M42 L45 C133 V135 F1148 I1181M42-I1150 HydrophobicContact CG-CG2 4.36Å; L45-I1150 HydrophobicContact CD1-CD1 3.93Å; L45-I1150 HydrophobicContact CD2-CD1 3.36Å; L45-I1150 HydrophobicContact CD2-CG1 4.46Å; L45-I1150 HydrophobicContact CG-CD1 4.22Å; C133-I1150 PolarHBondContact O-N 3.34Å; V135-I1150 PolarHBondContact N-O 3Å; F1148-I1150 HydrophobicContact CD2-CD1 3.95Å; F1148-I1150 HydrophobicContact CD2-CG1 3.9Å; F1148-I1150 HydrophobicContact CE2-CD1 4.02Å; F1148-I1150 HydrophobicContact CE2-CG1 4.33Å; I1150-I1181 VanDerWaalsContact CA-O 3.27Å; I1150-I1181 WeakPolarHBondContact CA-O 3.43Å; I1150-I1181 HydrophobicContact CD1-CB 4.45Å; I1150-I1181 HydrophobicContact CD1-CD1 4.01Å; I1150-I1181 HydrophobicContact CG1-CB 4.1Å; I1150-I1181 HydrophobicContact CG1-CD1 4.27Å; I1150-I1181 HydrophobicContact CG2-CB 4.47Å
1151L88.5Confident83.4Confident0 Ų034 Ų340%020%0.202CC..EExtended strand (participates in β ladder)trans-123.1120-174-67.7179.6000110.4V135 L1134 F1149 V1154 I1170 I1181 V1182 I1183V135-L1151 HydrophobicContact CB-CD2 3.87Å; V135-L1151 HydrophobicContact CG1-CD2 4.49Å; V135-L1151 HydrophobicContact CG2-CD2 3.73Å; L1134-L1151 HydrophobicContact CD2-CD2 4.41Å; F1149-L1151 HydrophobicContact CD1-CD1 4.46Å; F1149-L1151 HydrophobicContact CD1-CD2 4.11Å; F1149-L1151 HydrophobicContact CD1-CG 4.08Å; F1149-L1151 HydrophobicContact CE1-CD1 4.34Å; F1149-L1151 HydrophobicContact CE1-CD2 3.34Å; F1149-L1151 HydrophobicContact CE1-CG 3.83Å; F1149-L1151 HydrophobicContact CZ-CD2 4.05Å; L1151-V1154 HydrophobicContact CB-CG1 3.64Å; L1151-V1154 HydrophobicContact CB-CG2 4.25Å; L1151-V1154 HydrophobicContact CD1-CG1 4.39Å; L1151-V1154 HydrophobicContact CD1-CG2 4.38Å; L1151-V1154 HydrophobicContact CD2-CG1 3.81Å; L1151-V1154 HydrophobicContact CG-CG1 4.15Å; L1151-I1170 HydrophobicContact CD1-CD1 4.09Å; L1151-I1181 PolarHBondContact N-O 3.06Å; L1151-V1182 HydrophobicContact CB-CB 4.41Å; L1151-V1182 HydrophobicContact CB-CG1 4.05Å; L1151-V1182 HydrophobicContact CB-CG2 4Å; L1151-V1182 HydrophobicContact CD1-CG2 4.16Å; L1151-V1182 CarbonylContact O-C 3.57Å; L1151-V1182 WeakPolarHBondContact O-CA 3.44Å; L1151-I1183 PolarHBondContact O-N 3.49Å
1152D87.8Confident83.3Confident3 Ų335 Ų352%0.01621%0.207CC..EExtended strand (participates in β ladder)trans-104.6114.6177.9-166.623.4000110.9M42 V135 V1154 I1183M42-D1152 HydrophobicContact CE-CB 4.18Å; V135-D1152 WeakPolarHBondContact O-CB 3.47Å; V135-D1152 PolarHBondContact O-N 3.39Å; D1152-V1154 VanDerWaalsContact C-N 3.28Å; D1152-V1154 PolarHBondContact O-N 2.86Å; D1152-V1154 VanDerWaalsContact O-N 3.17Å; D1152-I1183 WeakPolarHBondContact OD1-CB 3.39Å; D1152-I1183 WeakPolarHBondContact OD1-CD1 3.49Å
1153E85.4Confident83.3Confident35 Ų3532.7 Ų32.716%0.16419%0.192CC..SBendtrans48.942.1175.1-63.6-172.8-175.300114.8Q137 D1155 A1156 I1183Q137-E1153 VanDerWaalsContact CD-OE2 3.23Å; Q137-E1153 HydrophobicContact CG-CB 4.18Å; Q137-E1153 PolarHBondContact NE2-OE2 2.89Å; E1153-D1155 WeakPolarHBondContact CA-OD1 3.46Å; E1153-D1155 PolarHBondContact O-N 2.82Å; E1153-D1155 VanDerWaalsContact O-N 3.16Å; E1153-A1156 PolarHBondContact O-N 3.31Å; E1153-I1183 WeakPolarHBondContact CA-O 3.48Å; E1153-I1183 PolarHBondContact N-O 3.34Å
1154V81.5Confident83.2Confident6 Ų632.1 Ų32.14%0.03620%0.195CC..THydrogen-bonded Turntrans-67.2-12.9178.5-60.50000113.6V140 L1151 D1152 L1158 V1182 F1189V140-V1154 HydrophobicContact CG2-CB 4.29Å; V140-V1154 HydrophobicContact CG2-CG1 3.69Å; L1151-V1154 HydrophobicContact CB-CG1 3.64Å; L1151-V1154 HydrophobicContact CB-CG2 4.25Å; L1151-V1154 HydrophobicContact CD1-CG1 4.39Å; L1151-V1154 HydrophobicContact CD1-CG2 4.38Å; L1151-V1154 HydrophobicContact CD2-CG1 3.81Å; L1151-V1154 HydrophobicContact CG-CG1 4.15Å; D1152-V1154 VanDerWaalsContact C-N 3.28Å; D1152-V1154 PolarHBondContact O-N 2.86Å; D1152-V1154 VanDerWaalsContact O-N 3.17Å; V1154-L1158 WeakPolarHBondContact O-CD1 3.43Å; V1154-V1182 HydrophobicContact CG2-CG1 4.37Å; V1154-F1189 HydrophobicContact CG2-CE2 4.23Å; V1154-F1189 HydrophobicContact CG2-CZ 4.44Å
1155D80.8Confident83.4Confident7 Ų732 Ų324%0.03720%0.196CC..THydrogen-bonded Turntrans-88.9-5.6-177.562.4-34.7000113.6E1153 A1157 L1158 I1163 S1184 K1186E1153-D1155 WeakPolarHBondContact CA-OD1 3.46Å; E1153-D1155 PolarHBondContact O-N 2.82Å; E1153-D1155 VanDerWaalsContact O-N 3.16Å; D1155-A1157 VanDerWaalsContact C-N 3.32Å; D1155-A1157 PolarHBondContact O-N 2.93Å; D1155-L1158 PolarHBondContact O-N 3.27Å; D1155-I1163 HydrophobicContact CB-CD1 4.31Å; D1155-S1184 VanDerWaalsContact CG-OG 3.29Å; D1155-S1184 PolarHBondContact OD2-OG 3.09Å; D1155-K1186 HydrophobicContact CB-CD 4.13Å; D1155-K1186 PolarHBondContact O-NZ 3.18Å; D1155-K1186 WeakPolarHBondContact OD2-CB 3.4Å; D1155-K1186 VanDerWaalsContact OD2-CG 3.31Å; D1155-K1186 WeakPolarHBondContact OD2-CG 3.39Å
1156A78.4Confident83.6Confident79 Ų7928.2 Ų28.265%0.65317%0.171SC*.THydrogen-bonded Turntrans-58-39.5-177.300000113.5E1153E1153-A1156 PolarHBondContact O-N 3.31Å
1157A74.3Confident83.8Confident38 Ų3828.1 Ų28.131%0.31417%0.17SC..THydrogen-bonded Turntrans-101.41.4-177.800000114.2E141 G1127 D1155E141-A1157 WeakPolarHBondContact OE1-CB 3.28Å; G1127-A1157 VanDerWaalsContact CA-O 3.26Å; G1127-A1157 WeakPolarHBondContact CA-O 3.44Å; D1155-A1157 VanDerWaalsContact C-N 3.32Å; D1155-A1157 PolarHBondContact O-N 2.93Å
1158L82.3Confident83.9Confident5 Ų527.8 Ų27.83%0.02617%0.168CC..  trans-98.7140-177.1-63.4174.1000111.5A1130 I1131 V1154 D1155 I1163 V1166 K1186A1130-L1158 HydrophobicContact CB-CD2 3.91Å; A1130-L1158 HydrophobicContact CB-CG 4.36Å; I1131-L1158 HydrophobicContact CD1-CD2 4.36Å; I1131-L1158 HydrophobicContact CG1-CD2 3.86Å; V1154-L1158 WeakPolarHBondContact O-CD1 3.43Å; D1155-L1158 PolarHBondContact O-N 3.27Å; L1158-I1163 HydrophobicContact CB-CD1 4.07Å; L1158-I1163 HydrophobicContact CB-CG1 3.55Å; L1158-I1163 HydrophobicContact CD1-CG1 4.36Å; L1158-I1163 WeakPolarHBondContact O-CD1 3.38Å; L1158-V1166 HydrophobicContact CD1-CG2 4.41Å; L1158-K1186 PolarHBondContact O-NZ 3.07Å
1159D82.8Confident83.9Confident67 Ų6727.8 Ų27.836%0.35817%0.169SC..  trans-81.2158.5170.163.7-58.5000111.4T1161 N1162 I1163D1159-T1161 PolarHBondContact O-N 2.87Å; D1159-T1161 VanDerWaalsContact O-N 3.11Å; D1159-T1161 PolarHBondContact OD2-OG1 2.88Å; D1159-N1162 PolarHBondContact O-N 3.37Å; D1159-N1162 VanDerWaalsContact O-N 3.08Å; D1159-N1162 VanDerWaalsContact OD1-CB 3.25Å; D1159-N1162 WeakPolarHBondContact OD1-CB 3.39Å; D1159-N1162 VanDerWaalsContact OD1-CG 3.26Å; D1159-N1162 PolarHBondContact OD1-ND2 3.46Å; D1159-N1162 PolarHBondContact OD2-N 2.94Å; D1159-I1163 VanDerWaalsContact O-CG1 3.3Å; D1159-I1163 WeakPolarHBondContact O-CG1 3.35Å; D1159-I1163 PolarHBondContact O-N 3.13Å
1160N80.5Confident83.9Confident87 Ų8727.8 Ų27.847%0.46517%0.168SC..Hα-helixtrans-59.7-30.4-173.3-59.917.9000112.5S1164 E1188N1160-S1164 PolarHBondContact O-N 2.87Å; N1160-E1188 PolarHBondContact ND2-OE1 3.43Å
1161T80.1Confident83.8Confident89 Ų8929.4 Ų29.455%0.54617%0.174SC..Hα-helixtrans-70.1-40178.380.50000112.5D1159 K1165D1159-T1161 PolarHBondContact O-N 2.87Å; D1159-T1161 VanDerWaalsContact O-N 3.11Å; D1159-T1161 PolarHBondContact OD2-OG1 2.88Å; T1161-K1165 WeakPolarHBondContact O-CG 3.47Å
1162N82.1Confident83.7Confident32 Ų3233.3 Ų33.317%0.17119%0.192CC..Hα-helixtrans-80.4-28.9177.7-69.3-35.4000112I1131 D1159 K1165 V1166I1131-N1162 HydrophobicContact CD1-CB 3.97Å; D1159-N1162 PolarHBondContact O-N 3.37Å; D1159-N1162 VanDerWaalsContact O-N 3.08Å; D1159-N1162 VanDerWaalsContact OD1-CB 3.25Å; D1159-N1162 WeakPolarHBondContact OD1-CB 3.39Å; D1159-N1162 VanDerWaalsContact OD1-CG 3.26Å; D1159-N1162 PolarHBondContact OD1-ND2 3.46Å; D1159-N1162 PolarHBondContact OD2-N 2.94Å; N1162-K1165 PolarHBondContact O-N 3.37Å; N1162-K1165 PolarHBondContact OD1-NZ 3.23Å; N1162-V1166 WeakPolarHBondContact O-CG2 3.5Å; N1162-V1166 PolarHBondContact O-N 2.52Å
1163I85.2Confident83.5Confident0 Ų033.9 Ų33.90%020%0.195CC..Hα-helixtrans-57.4-51171.2-71.2164.3000110.1D1155 L1158 D1159 K1165 V1166 T1167 K1186 E1188 F1189D1155-I1163 HydrophobicContact CB-CD1 4.31Å; L1158-I1163 HydrophobicContact CB-CD1 4.07Å; L1158-I1163 HydrophobicContact CB-CG1 3.55Å; L1158-I1163 HydrophobicContact CD1-CG1 4.36Å; L1158-I1163 WeakPolarHBondContact O-CD1 3.38Å; D1159-I1163 VanDerWaalsContact O-CG1 3.3Å; D1159-I1163 WeakPolarHBondContact O-CG1 3.35Å; D1159-I1163 PolarHBondContact O-N 3.13Å; I1163-K1165 VanDerWaalsContact C-N 3.25Å; I1163-K1165 PolarHBondContact O-N 3.14Å; I1163-V1166 PolarHBondContact O-N 3.26Å; I1163-V1166 VanDerWaalsContact O-N 3.11Å; I1163-T1167 WeakPolarHBondContact O-CB 3.4Å; I1163-T1167 PolarHBondContact O-N 3.35Å; I1163-T1167 PolarHBondContact O-OG1 2.77Å; I1163-K1186 HydrophobicContact CD1-CD 3.25Å; I1163-E1188 HydrophobicContact CG2-CB 3.9Å; I1163-F1189 HydrophobicContact CG2-CB 4.32Å; I1163-F1189 HydrophobicContact CG2-CD2 4.08Å
1164S83Confident83.5Confident45 Ų4532.3 Ų32.332%0.31519%0.188SC..Hα-helixtrans-57.6-37.6179.7-176.70000113N1160 S1168N1160-S1164 PolarHBondContact O-N 2.87Å; S1164-S1168 WeakPolarHBondContact O-CB 3.49Å; S1164-S1168 PolarHBondContact O-N 3.36Å; S1164-S1168 PolarHBondContact O-OG 3.15Å
1165K84.9Confident83.5Confident63 Ų6339.2 Ų39.227%0.27421%0.213SC..Hα-helixtrans-66.4-47.9175.4-62.4172-164.6159.70112T1161 N1162 I1163 S1168 F1169T1161-K1165 WeakPolarHBondContact O-CG 3.47Å; N1162-K1165 PolarHBondContact O-N 3.37Å; N1162-K1165 PolarHBondContact OD1-NZ 3.23Å; I1163-K1165 VanDerWaalsContact C-N 3.25Å; I1163-K1165 PolarHBondContact O-N 3.14Å; K1165-S1168 PolarHBondContact O-N 3.02Å; K1165-F1169 PolarHBondContact O-N 2.91Å
1166V87.2Confident83.2Confident2 Ų245.1 Ų45.11%0.01224%0.24CC..Hα-helixtrans-63.3-45.5178.9170.90000110.8I1084 L1134 L1158 N1162 I1163 S1168 F1169 I1170 F1189I1084-V1166 HydrophobicContact CG2-CG2 3.88Å; L1134-V1166 HydrophobicContact CD1-CG1 4.07Å; L1158-V1166 HydrophobicContact CD1-CG2 4.41Å; N1162-V1166 WeakPolarHBondContact O-CG2 3.5Å; N1162-V1166 PolarHBondContact O-N 2.52Å; I1163-V1166 PolarHBondContact O-N 3.26Å; I1163-V1166 VanDerWaalsContact O-N 3.11Å; V1166-S1168 VanDerWaalsContact C-N 3.32Å; V1166-S1168 PolarHBondContact O-N 3.47Å; V1166-F1169 PolarHBondContact O-N 3.05Å; V1166-I1170 HydrophobicContact CG1-CD1 3.75Å; V1166-I1170 HydrophobicContact CG1-CG1 4.39Å; V1166-I1170 WeakPolarHBondContact O-CB 3.26Å; V1166-I1170 WeakPolarHBondContact O-CG1 3.45Å; V1166-I1170 PolarHBondContact O-N 3.07Å; V1166-F1189 HydrophobicContact CG1-CE2 4.48Å
1167T86.3Confident83.1Confident0 Ų044.6 Ų44.60%023%0.227CC..Hα-helixtrans-62.8-39.6178.3-56.40000111.5F27 I1163 I1170 R1171 F1189 K1192F27-T1167 HydrophobicContact CE1-CG2 4.4Å; F27-T1167 HydrophobicContact CZ-CG2 4.48Å; I1163-T1167 WeakPolarHBondContact O-CB 3.4Å; I1163-T1167 PolarHBondContact O-N 3.35Å; I1163-T1167 PolarHBondContact O-OG1 2.77Å; T1167-I1170 PolarHBondContact O-N 3.19Å; T1167-R1171 WeakPolarHBondContact O-CB 3.45Å; T1167-R1171 PolarHBondContact O-N 3.23Å; T1167-F1189 WeakPolarHBondContact CG2-O 3.48Å; T1167-F1189 WeakPolarHBondContact OG1-CD2 3.49Å; T1167-K1192 HydrophobicContact CG2-CB 3.67Å; T1167-K1192 HydrophobicContact CG2-CD 3.98Å; T1167-K1192 HydrophobicContact CG2-CG 4.17Å
1168S85.6Confident83.5Confident13 Ų1343.2 Ų43.29%0.09121%0.214CC..Hα-helixtrans-64.9-43.4175.7-55.60000111.9S1164 K1165 V1166 R1171 E1172S1164-S1168 WeakPolarHBondContact O-CB 3.49Å; S1164-S1168 PolarHBondContact O-N 3.36Å; S1164-S1168 PolarHBondContact O-OG 3.15Å; K1165-S1168 PolarHBondContact O-N 3.02Å; V1166-S1168 VanDerWaalsContact C-N 3.32Å; V1166-S1168 PolarHBondContact O-N 3.47Å; S1168-R1171 PolarHBondContact O-N 3.27Å; S1168-E1172 WeakPolarHBondContact O-CG 3.18Å; S1168-E1172 PolarHBondContact O-N 3.32Å
1169F88.2Confident83.9Confident4 Ų443 Ų432%0.01821%0.213CC..Hα-helixtrans-61.8-45.6174.7173-96.4000112.3I1080 R1083 I1084 F1138 K1165 V1166 R1171 E1172 E1173I1080-F1169 HydrophobicContact CG2-CE2 4.5Å; I1080-F1169 HydrophobicContact CG2-CZ 3.92Å; R1083-F1169 HydrophobicContact CB-CD2 4.16Å; R1083-F1169 HydrophobicContact CB-CE2 4.14Å; I1084-F1169 HydrophobicContact CD1-CD1 4.1Å; I1084-F1169 HydrophobicContact CD1-CE1 3.96Å; I1084-F1169 HydrophobicContact CD1-CZ 4.34Å; I1084-F1169 HydrophobicContact CG1-CB 4.33Å; I1084-F1169 HydrophobicContact CG1-CD1 3.65Å; I1084-F1169 HydrophobicContact CG1-CD2 3.93Å; I1084-F1169 HydrophobicContact CG1-CE1 3.87Å; I1084-F1169 HydrophobicContact CG1-CE2 4.13Å; I1084-F1169 HydrophobicContact CG1-CG 3.68Å; I1084-F1169 HydrophobicContact CG1-CZ 4.1Å; F1138-F1169 HydrophobicContact CD1-CE1 4.43Å; F1138-F1169 AromaticContact CD2-CE1 3.67Å; F1138-F1169 HydrophobicContact CD2-CE1 3.67Å; F1138-F1169 HydrophobicContact CD2-CZ 4.49Å; F1138-F1169 HydrophobicContact CE2-CD1 4.27Å; F1138-F1169 AromaticContact CE2-CE1 3.8Å; F1138-F1169 HydrophobicContact CE2-CE1 3.8Å; F1138-F1169 HydrophobicContact CG-CE1 4.03Å; F1138-F1169 HydrophobicContact CZ-CE1 4.23Å; K1165-F1169 PolarHBondContact O-N 2.91Å; V1166-F1169 PolarHBondContact O-N 3.05Å; F1169-R1171 VanDerWaalsContact C-N 3.26Å; F1169-R1171 PolarHBondContact O-N 3.33Å; F1169-E1172 PolarHBondContact O-N 3.05Å; F1169-E1173 HydrophobicContact CD1-CG 4.29Å; F1169-E1173 HydrophobicContact CD2-CG 4.34Å; F1169-E1173 HydrophobicContact CE1-CG 3.75Å; F1169-E1173 HydrophobicContact CE2-CG 3.82Å; F1169-E1173 HydrophobicContact CZ-CG 3.49Å; F1169-E1173 VanDerWaalsContact CZ-CG 3.49Å; F1169-E1173 WeakPolarHBondContact O-CG 3.49Å; F1169-E1173 PolarHBondContact O-N 3.19Å
1170I88.5Confident84.3Confident0 Ų039.9 Ų39.90%020%0.196CC..Hα-helixtrans-58.8-40.8176.5-77.9174000110.8F27 F1138 L1151 V1166 T1167 E1173 S1174 I1180 F1189F27-I1170 HydrophobicContact CD2-CG2 4Å; F27-I1170 HydrophobicContact CE1-CG2 4.42Å; F27-I1170 HydrophobicContact CE2-CG2 3.66Å; F27-I1170 HydrophobicContact CZ-CG2 3.92Å; F1138-I1170 HydrophobicContact CZ-CG1 4.13Å; L1151-I1170 HydrophobicContact CD1-CD1 4.09Å; V1166-I1170 HydrophobicContact CG1-CD1 3.75Å; V1166-I1170 HydrophobicContact CG1-CG1 4.39Å; V1166-I1170 WeakPolarHBondContact O-CB 3.26Å; V1166-I1170 WeakPolarHBondContact O-CG1 3.45Å; V1166-I1170 PolarHBondContact O-N 3.07Å; T1167-I1170 PolarHBondContact O-N 3.19Å; I1170-E1173 PolarHBondContact O-N 3.4Å; I1170-S1174 WeakPolarHBondContact O-CB 3.34Å; I1170-S1174 PolarHBondContact O-N 2.87Å; I1170-S1174 PolarHBondContact O-OG 2.84Å; I1170-I1180 HydrophobicContact CB-CD1 4.36Å; I1170-I1180 HydrophobicContact CG1-CD1 4.48Å; I1170-I1180 HydrophobicContact CG2-CB 4.28Å; I1170-I1180 HydrophobicContact CG2-CD1 3.77Å; I1170-I1180 HydrophobicContact CG2-CG2 3.93Å; I1170-F1189 HydrophobicContact CD1-CE2 4.19Å; I1170-F1189 HydrophobicContact CD1-CZ 3.6Å
1171R86.3Confident84.8Confident43 Ų4335.8 Ų35.816%0.16217%0.174CC..Hα-helixtrans-65.6-44.8178.1-167.4177.4-169.3-151.90.1112.1F27 T1167 S1168 F1169 S1174 R1175 K1192F27-R1171 HydrophobicContact CD1-CG 4.49Å; T1167-R1171 WeakPolarHBondContact O-CB 3.45Å; T1167-R1171 PolarHBondContact O-N 3.23Å; S1168-R1171 PolarHBondContact O-N 3.27Å; F1169-R1171 VanDerWaalsContact C-N 3.26Å; F1169-R1171 PolarHBondContact O-N 3.33Å; R1171-S1174 WeakPolarHBondContact CA-OG 3.32Å; R1171-S1174 PolarHBondContact O-N 3.15Å; R1171-S1174 PolarHBondContact O-OG 3.35Å; R1171-R1175 VanDerWaalsContact NH2-NH2 3.17Å; R1171-R1175 WeakPolarHBondContact O-CG 3.41Å; R1171-R1175 PolarHBondContact O-N 3.02Å; R1171-K1192 PolarHBondContact NE-O 3.27Å
1172E85.9Confident85.3Confident81 Ų8131.6 Ų31.638%0.37915%0.148SC..Hα-helixtrans-57.1-52.5174.1-70.2166.6-153.900110.8R1083 R1086 S1168 F1169 S1174 R1175 E1176R1083-E1172 IonicContact NH2-OE2 3.65Å; R1083-E1172 PolarHBondContact NH2-OE2 3.46Å; R1086-E1172 IonicContact NH2-OE1 3.33Å; S1168-E1172 WeakPolarHBondContact O-CG 3.18Å; S1168-E1172 PolarHBondContact O-N 3.32Å; F1169-E1172 PolarHBondContact O-N 3.05Å; E1172-S1174 VanDerWaalsContact C-N 3.3Å; E1172-S1174 PolarHBondContact O-N 2.79Å; E1172-R1175 PolarHBondContact O-N 3.19Å; E1172-E1176 PolarHBondContact O-N 3.4Å
1173E84.9Confident85.7Confident16 Ų1630.1 Ų30.18%0.07514%0.141CC..Hα-helixtrans-64.5-32.7179.7-71-61.2139.900113.2R1083 F1169 I1170 R1175 E1176 N1177 M1178R1083-E1173 IonicContact CZ-OE1 3.37Å; R1083-E1173 IonicContact NH1-OE1 3.12Å; R1083-E1173 PolarHBondContact NH1-OE1 3.45Å; R1083-E1173 IonicContact NH2-OE1 2.81Å; R1083-E1173 PolarHBondContact NH2-OE1 3.03Å; R1083-E1173 VanDerWaalsContact NH2-OE1 3.09Å; F1169-E1173 HydrophobicContact CD1-CG 4.29Å; F1169-E1173 HydrophobicContact CD2-CG 4.34Å; F1169-E1173 HydrophobicContact CE1-CG 3.75Å; F1169-E1173 HydrophobicContact CE2-CG 3.82Å; F1169-E1173 HydrophobicContact CZ-CG 3.49Å; F1169-E1173 VanDerWaalsContact CZ-CG 3.49Å; F1169-E1173 WeakPolarHBondContact O-CG 3.49Å; F1169-E1173 PolarHBondContact O-N 3.19Å; I1170-E1173 PolarHBondContact O-N 3.4Å; E1173-R1175 VanDerWaalsContact C-N 3.27Å; E1173-R1175 PolarHBondContact O-N 3.46Å; E1173-E1176 PolarHBondContact O-N 2.93Å; E1173-N1177 PolarHBondContact O-N 3.19Å; E1173-N1177 PolarHBondContact OE2-ND2 3.14Å; E1173-M1178 HydrophobicContact CB-CE 4.4Å; E1173-M1178 PolarHBondContact O-N 2.92Å
1174S84.1Confident85.8Confident1 Ų130.2 Ų30.21%0.00714%0.141CC..Hα-helixtrans-68.8-25.2179.3720000113.9I1170 R1171 E1172 M1178I1170-S1174 WeakPolarHBondContact O-CB 3.34Å; I1170-S1174 PolarHBondContact O-N 2.87Å; I1170-S1174 PolarHBondContact O-OG 2.84Å; R1171-S1174 WeakPolarHBondContact CA-OG 3.32Å; R1171-S1174 PolarHBondContact O-N 3.15Å; R1171-S1174 PolarHBondContact O-OG 3.35Å; E1172-S1174 VanDerWaalsContact C-N 3.3Å; E1172-S1174 PolarHBondContact O-N 2.79Å; S1174-M1178 CarbonylContact C-O 3.38Å; S1174-M1178 WeakPolarHBondContact CA-O 3.34Å; S1174-M1178 VanDerWaalsContact O-O 3.09Å
1175R81.5Confident86Confident151 Ų15131.8 Ų31.857%0.5715%0.146SC*.Hα-helixtrans-81.1-37.3178.7-73176.9173.7-172.1-3.2111.8R1171 E1172 E1173R1171-R1175 VanDerWaalsContact NH2-NH2 3.17Å; R1171-R1175 WeakPolarHBondContact O-CG 3.41Å; R1171-R1175 PolarHBondContact O-N 3.02Å; E1172-R1175 PolarHBondContact O-N 3.19Å; E1173-R1175 VanDerWaalsContact C-N 3.27Å; E1173-R1175 PolarHBondContact O-N 3.46Å
1176E75Confident86.1Confident131 Ų13131.4 Ų31.461%0.61214%0.144SC*.Hα-helixtrans-95.5-41.8-171.4-64-175.8173.700113.1E1172 E1173E1172-E1176 PolarHBondContact O-N 3.4Å; E1173-E1176 PolarHBondContact O-N 2.93Å
1177N75.4Confident86Confident69 Ų6937.9 Ų37.937%0.36917%0.174SC..THydrogen-bonded Turntrans-126-31.8-157.4-64.6-33.9000115.7M1 E1173M1-N1177 WeakPolarHBondContact CE-O 3.29Å; E1173-N1177 PolarHBondContact O-N 3.19Å; E1173-N1177 PolarHBondContact OE2-ND2 3.14Å
1178M84.7Confident85.9Confident9 Ų941 Ų414%0.04419%0.188CC..  trans-155.9159.9-172.769.6-17692.200113.9F1138 F1149 E1173 S1174 I1180F1138-M1178 HydrophobicContact CD1-CE 3.98Å; F1138-M1178 HydrophobicContact CD1-SD 4.42Å; F1138-M1178 HydrophobicContact CE1-CE 4.17Å; F1138-M1178 HydrophobicContact CE1-SD 4.13Å; F1149-M1178 HydrophobicContact CB-SD 4.03Å; F1149-M1178 HydrophobicContact CG-SD 4.48Å; E1173-M1178 HydrophobicContact CB-CE 4.4Å; E1173-M1178 PolarHBondContact O-N 2.92Å; S1174-M1178 CarbonylContact C-O 3.38Å; S1174-M1178 WeakPolarHBondContact CA-O 3.34Å; S1174-M1178 VanDerWaalsContact O-O 3.09Å; M1178-I1180 HydrophobicContact CG-CD1 3.9Å; M1178-I1180 HydrophobicContact CG-CG1 3.67Å; M1178-I1180 HydrophobicContact SD-CD1 3.97Å; M1178-I1180 HydrophobicContact SD-CG1 4.03Å
1179Q89.6Confident85.9Confident1 Ų140.3 Ų40.31%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-85.8131.1168.2-176-177.234.500110.2L4 F24 M25 R26 P1147 F1148 F1149L4-Q1179 PolarHBondContact O-NE2 3.15Å; L4-Q1179 PolarHBondContact O-OE1 2.71Å; F24-Q1179 VanDerWaalsContact CB-NE2 3.34Å; M25-Q1179 WeakPolarHBondContact O-CG 3.33Å; M25-Q1179 PolarHBondContact O-NE2 3.46Å; R26-Q1179 CarbonylContact O-C 3.57Å; R26-Q1179 WeakPolarHBondContact O-CA 3.27Å; R26-Q1179 WeakPolarHBondContact O-CG 3.48Å; P1147-Q1179 PolarHBondContact O-N 3.05Å; F1148-Q1179 CarbonylContact C-O 3.6Å; F1148-Q1179 VanDerWaalsContact CA-O 3.22Å; F1148-Q1179 WeakPolarHBondContact CA-O 3.45Å; F1148-Q1179 HydrophobicContact CB-CB 3.96Å; F1148-Q1179 HydrophobicContact CB-CG 4.37Å; F1149-Q1179 PolarHBondContact N-O 2.87Å
1180I90.9Very high85.8Confident0 Ų042.3 Ų42.30%019%0.193CC..EExtended strand (participates in β ladder)trans-119.3130-179.9-54.3179.7000110.3R26 F27 N28 F1138 F1149 I1170 M1178 V1182R26-I1180 PolarHBondContact O-N 3.42Å; F27-I1180 WeakPolarHBondContact CA-O 3.26Å; F27-I1180 HydrophobicContact CD2-CB 4.27Å; F27-I1180 HydrophobicContact CD2-CG2 4.45Å; N28-I1180 PolarHBondContact N-O 3.36Å; F1138-I1180 HydrophobicContact CE1-CD1 4.49Å; F1149-I1180 WeakPolarHBondContact O-CA 3.43Å; I1170-I1180 HydrophobicContact CB-CD1 4.36Å; I1170-I1180 HydrophobicContact CG1-CD1 4.48Å; I1170-I1180 HydrophobicContact CG2-CB 4.28Å; I1170-I1180 HydrophobicContact CG2-CD1 3.77Å; I1170-I1180 HydrophobicContact CG2-CG2 3.93Å; M1178-I1180 HydrophobicContact CG-CD1 3.9Å; M1178-I1180 HydrophobicContact CG-CG1 3.67Å; M1178-I1180 HydrophobicContact SD-CD1 3.97Å; M1178-I1180 HydrophobicContact SD-CG1 4.03Å; I1180-V1182 HydrophobicContact CG2-CG2 3.69Å
1181I90.9Very high85.7Confident2 Ų244.8 Ų44.81%0.0121%0.21CC..EExtended strand (participates in β ladder)trans-122.8119.7177.1-52.9169.5000107.9L4 F24 N28 I30 F1149 I1150 L1151L4-I1181 HydrophobicContact CD2-CD1 4.15Å; F24-I1181 HydrophobicContact CD1-CD1 3.85Å; F24-I1181 HydrophobicContact CD1-CG1 4.22Å; F24-I1181 HydrophobicContact CE1-CD1 3.88Å; F24-I1181 HydrophobicContact CE1-CG1 4.42Å; F24-I1181 HydrophobicContact CE1-CG2 4.12Å; F24-I1181 HydrophobicContact CG-CD1 4.22Å; F24-I1181 HydrophobicContact CZ-CD1 4.28Å; N28-I1181 HydrophobicContact CB-CG1 4.37Å; N28-I1181 HydrophobicContact CB-CG2 4.37Å; N28-I1181 WeakPolarHBondContact O-CA 3.12Å; I30-I1181 HydrophobicContact CD1-CG2 3.88Å; I30-I1181 HydrophobicContact CG1-CG2 4.12Å; F1149-I1181 PolarHBondContact O-N 3.2Å; I1150-I1181 VanDerWaalsContact CA-O 3.27Å; I1150-I1181 WeakPolarHBondContact CA-O 3.43Å; I1150-I1181 HydrophobicContact CD1-CB 4.45Å; I1150-I1181 HydrophobicContact CD1-CD1 4.01Å; I1150-I1181 HydrophobicContact CG1-CB 4.1Å; I1150-I1181 HydrophobicContact CG1-CD1 4.27Å; I1150-I1181 HydrophobicContact CG2-CB 4.47Å; L1151-I1181 PolarHBondContact N-O 3.06Å
1182V91.1Very high85.6Confident0 Ų043.7 Ų43.70%021%0.206CC..EExtended strand (participates in β ladder)trans-121.2136.4-176.5-172.80000111.4F27 N28 C29 I30 L1151 V1154 I1180 F1189F27-V1182 HydrophobicContact CE2-CG2 3.99Å; N28-V1182 PolarHBondContact O-N 3.3Å; C29-V1182 CarbonylContact C-O 3.58Å; C29-V1182 VanDerWaalsContact CA-O 3.22Å; C29-V1182 WeakPolarHBondContact CA-O 3.33Å; C29-V1182 PolarHBondContact SG-O 3.18Å; I30-V1182 PolarHBondContact N-O 2.97Å; L1151-V1182 HydrophobicContact CB-CB 4.41Å; L1151-V1182 HydrophobicContact CB-CG1 4.05Å; L1151-V1182 HydrophobicContact CB-CG2 4Å; L1151-V1182 HydrophobicContact CD1-CG2 4.16Å; L1151-V1182 CarbonylContact O-C 3.57Å; L1151-V1182 WeakPolarHBondContact O-CA 3.44Å; V1154-V1182 HydrophobicContact CG2-CG1 4.37Å; I1180-V1182 HydrophobicContact CG2-CG2 3.69Å; V1182-F1189 HydrophobicContact CB-CD1 4.15Å; V1182-F1189 HydrophobicContact CB-CE1 3.42Å; V1182-F1189 VanDerWaalsContact CB-CE1 3.42Å; V1182-F1189 HydrophobicContact CB-CZ 4.07Å; V1182-F1189 HydrophobicContact CG1-CD1 3.88Å; V1182-F1189 HydrophobicContact CG1-CE1 3.3Å; V1182-F1189 HydrophobicContact CG1-CE2 4.49Å; V1182-F1189 HydrophobicContact CG1-CZ 3.64Å; V1182-F1189 HydrophobicContact CG2-CE1 3.48Å; V1182-F1189 VanDerWaalsContact CG2-CE1 3.48Å; V1182-F1189 HydrophobicContact CG2-CZ 3.82Å
1183I90.1Very high85.8Confident2 Ų240.1 Ų40.11%0.0119%0.191CC..EExtended strand (participates in β ladder)trans-99.4115.8168.6-50.7178.8000106.7I30 K38 M42 L1151 D1152 E1153I30-I1183 HydrophobicContact CB-CG1 4.1Å; I30-I1183 HydrophobicContact CD1-CG1 4.16Å; K38-I1183 HydrophobicContact CB-CG2 4.08Å; K38-I1183 HydrophobicContact CD-CG2 4.31Å; M42-I1183 HydrophobicContact CB-CD1 4.19Å; M42-I1183 HydrophobicContact CG-CD1 4.5Å; L1151-I1183 PolarHBondContact O-N 3.49Å; D1152-I1183 WeakPolarHBondContact OD1-CB 3.39Å; D1152-I1183 WeakPolarHBondContact OD1-CD1 3.49Å; E1153-I1183 WeakPolarHBondContact CA-O 3.48Å; E1153-I1183 PolarHBondContact N-O 3.34Å
1184S88.7Confident86Confident1 Ų140.3 Ų40.31%0.00719%0.192CC..  trans-146.9155-178.8168.90000110.6D1155 K1186 F1189D1155-S1184 VanDerWaalsContact CG-OG 3.29Å; D1155-S1184 PolarHBondContact OD2-OG 3.09Å; S1184-K1186 PolarHBondContact OG-N 3.42Å; S1184-K1186 VanDerWaalsContact OG-N 3.12Å; S1184-F1189 WeakPolarHBondContact OG-CB 3.26Å
1185L86.3Confident86.3Confident79 Ų7940.5 Ų40.541%0.41419%0.194SC..  trans-106.3-7.8174.9-63.1174.4000112.6G32 N34G32-L1185 WeakPolarHBondContact O-CD2 3.26Å; N34-L1185 VanDerWaalsContact OD1-CD1 3.26Å; N34-L1185 WeakPolarHBondContact OD1-CD1 3.36Å
1186K86.9Confident86.8Confident55 Ų5534.3 Ų34.324%0.23917%0.172CC..  trans-93.9130.3-174.7-69.7-174.6-179.4172.40111.8D1155 L1158 I1163 S1184 E1188 F1189 F1190D1155-K1186 HydrophobicContact CB-CD 4.13Å; D1155-K1186 PolarHBondContact O-NZ 3.18Å; D1155-K1186 WeakPolarHBondContact OD2-CB 3.4Å; D1155-K1186 VanDerWaalsContact OD2-CG 3.31Å; D1155-K1186 WeakPolarHBondContact OD2-CG 3.39Å; L1158-K1186 PolarHBondContact O-NZ 3.07Å; I1163-K1186 HydrophobicContact CD1-CD 3.25Å; S1184-K1186 PolarHBondContact OG-N 3.42Å; S1184-K1186 VanDerWaalsContact OG-N 3.12Å; K1186-E1188 VanDerWaalsContact C-N 3.29Å; K1186-E1188 PolarHBondContact O-N 3.15Å; K1186-F1189 WeakPolarHBondContact O-CB 3.35Å; K1186-F1189 PolarHBondContact O-N 2.91Å; K1186-F1189 VanDerWaalsContact O-N 3.07Å; K1186-F1190 VanDerWaalsContact C-CE1 3.46Å; K1186-F1190 WeakPolarHBondContact O-CD1 3.26Å; K1186-F1190 WeakPolarHBondContact O-CE1 3.36Å; K1186-F1190 PolarHBondContact O-N 2.92Å
1187E86.1Confident87.6Confident137 Ų13728.1 Ų28.164%0.6414%0.143SC*.Hα-helixtrans-60.2-37.9-176.6-172.6178.2175.200112.8F1189 F1190 S1191E1187-F1189 PolarHBondContact O-N 3.05Å; E1187-F1189 VanDerWaalsContact O-N 3.12Å; E1187-F1190 VanDerWaalsContact CA-CZ 3.43Å; E1187-F1190 HydrophobicContact CB-CE1 4.2Å; E1187-F1190 HydrophobicContact CB-CE2 4.36Å; E1187-F1190 HydrophobicContact CB-CZ 3.85Å; E1187-F1190 HydrophobicContact CG-CE2 4.05Å; E1187-F1190 HydrophobicContact CG-CZ 3.98Å; E1187-F1190 PolarHBondContact O-N 3.06Å; E1187-S1191 WeakPolarHBondContact O-CB 3.1Å; E1187-S1191 PolarHBondContact O-N 3.24Å; E1187-S1191 PolarHBondContact O-OG 3.12Å
1188E84.2Confident88.4Confident65 Ų6526 Ų2630%0.30414%0.137SC..Hα-helixtrans-62.1-24.1178.9-59.488.9162.600112.7N1160 I1163 K1186 S1191N1160-E1188 PolarHBondContact ND2-OE1 3.43Å; I1163-E1188 HydrophobicContact CG2-CB 3.9Å; K1186-E1188 VanDerWaalsContact C-N 3.29Å; K1186-E1188 PolarHBondContact O-N 3.15Å; E1188-S1191 PolarHBondContact O-OG 3.19Å
1189F84.6Confident88.7Confident0 Ų025.7 Ų25.70%014%0.136CC..Hα-helixtrans-84.5-47.2179.9-155.1-73.6000111.9F27 V1154 I1163 V1166 T1167 I1170 V1182 S1184 K1186 E1187F27-F1189 HydrophobicContact CE2-CE1 4.06Å; F27-F1189 HydrophobicContact CZ-CD1 4.28Å; F27-F1189 AromaticContact CZ-CE1 3.84Å; F27-F1189 HydrophobicContact CZ-CE1 3.84Å; V1154-F1189 HydrophobicContact CG2-CE2 4.23Å; V1154-F1189 HydrophobicContact CG2-CZ 4.44Å; I1163-F1189 HydrophobicContact CG2-CB 4.32Å; I1163-F1189 HydrophobicContact CG2-CD2 4.08Å; V1166-F1189 HydrophobicContact CG1-CE2 4.48Å; T1167-F1189 WeakPolarHBondContact CG2-O 3.48Å; T1167-F1189 WeakPolarHBondContact OG1-CD2 3.49Å; I1170-F1189 HydrophobicContact CD1-CE2 4.19Å; I1170-F1189 HydrophobicContact CD1-CZ 3.6Å; V1182-F1189 HydrophobicContact CB-CD1 4.15Å; V1182-F1189 HydrophobicContact CB-CE1 3.42Å; V1182-F1189 VanDerWaalsContact CB-CE1 3.42Å; V1182-F1189 HydrophobicContact CB-CZ 4.07Å; V1182-F1189 HydrophobicContact CG1-CD1 3.88Å; V1182-F1189 HydrophobicContact CG1-CE1 3.3Å; V1182-F1189 HydrophobicContact CG1-CE2 4.49Å; V1182-F1189 HydrophobicContact CG1-CZ 3.64Å; V1182-F1189 HydrophobicContact CG2-CE1 3.48Å; V1182-F1189 VanDerWaalsContact CG2-CE1 3.48Å; V1182-F1189 HydrophobicContact CG2-CZ 3.82Å; S1184-F1189 WeakPolarHBondContact OG-CB 3.26Å; K1186-F1189 WeakPolarHBondContact O-CB 3.35Å; K1186-F1189 PolarHBondContact O-N 2.91Å; K1186-F1189 VanDerWaalsContact O-N 3.07Å; E1187-F1189 PolarHBondContact O-N 3.05Å; E1187-F1189 VanDerWaalsContact O-N 3.12Å
1190F87Confident88.7Confident46 Ų4629.8 Ų29.820%0.20215%0.152CC..Hα-helixtrans-86.7-17.8-174.266.5-112000114.1C29 I31 K1186 E1187 K1192 A1193 L1196C29-F1190 HydrophobicContact CB-CB 3.69Å; C29-F1190 WeakPolarHBondContact SG-CB 3.46Å; I31-F1190 HydrophobicContact CG2-CB 3.99Å; I31-F1190 HydrophobicContact CG2-CD1 3.76Å; I31-F1190 HydrophobicContact CG2-CE1 4.35Å; I31-F1190 HydrophobicContact CG2-CG 3.89Å; K1186-F1190 VanDerWaalsContact C-CE1 3.46Å; K1186-F1190 WeakPolarHBondContact O-CD1 3.26Å; K1186-F1190 WeakPolarHBondContact O-CE1 3.36Å; K1186-F1190 PolarHBondContact O-N 2.92Å; E1187-F1190 VanDerWaalsContact CA-CZ 3.43Å; E1187-F1190 HydrophobicContact CB-CE1 4.2Å; E1187-F1190 HydrophobicContact CB-CE2 4.36Å; E1187-F1190 HydrophobicContact CB-CZ 3.85Å; E1187-F1190 HydrophobicContact CG-CE2 4.05Å; E1187-F1190 HydrophobicContact CG-CZ 3.98Å; E1187-F1190 PolarHBondContact O-N 3.06Å; F1190-K1192 PolarHBondContact O-N 3.38Å; F1190-A1193 WeakPolarHBondContact O-CB 3.4Å; F1190-A1193 PolarHBondContact O-N 3.22Å; F1190-L1196 HydrophobicContact CB-CD2 3.74Å; F1190-L1196 HydrophobicContact CD2-CD2 4.13Å; F1190-L1196 HydrophobicContact CG-CD2 4.27Å
1191S85.8Confident88.6Confident51 Ų5131.7 Ų31.736%0.35717%0.165SC..THydrogen-bonded Turntrans-61.6-25.3173.752.30000113.9E1187 E1188E1187-S1191 WeakPolarHBondContact O-CB 3.1Å; E1187-S1191 PolarHBondContact O-N 3.24Å; E1187-S1191 PolarHBondContact O-OG 3.12Å; E1188-S1191 PolarHBondContact O-OG 3.19Å
1192K84.7Confident88.3Confident21 Ų2134.7 Ų34.79%0.09118%0.181CC..THydrogen-bonded Turntrans-98.27.1179.3-65-171174.3-164.50113.7F27 T1167 R1171 F1190 E1223F27-K1192 VanDerWaalsContact CD1-O 3.3Å; F27-K1192 WeakPolarHBondContact CD1-O 3.07Å; F27-K1192 WeakPolarHBondContact CE1-O 3.29Å; T1167-K1192 HydrophobicContact CG2-CB 3.67Å; T1167-K1192 HydrophobicContact CG2-CD 3.98Å; T1167-K1192 HydrophobicContact CG2-CG 4.17Å; R1171-K1192 PolarHBondContact NE-O 3.27Å; F1190-K1192 PolarHBondContact O-N 3.38Å; K1192-E1223 IonicContact NZ-OE1 3.02Å; K1192-E1223 PolarHBondContact NZ-OE1 3.18Å; K1192-E1223 IonicContact NZ-OE2 3.12Å; K1192-E1223 PolarHBondContact NZ-OE2 3.48Å
1193A88.9Confident87.6Confident6 Ų641.4 Ų41.45%0.0522%0.216CC..  trans-77.1153.1179.500000112.7F27 C29 F1190 L1196F27-A1193 VanDerWaalsContact CD1-CA 3.48Å; F27-A1193 HydrophobicContact CD1-CB 4.21Å; F27-A1193 HydrophobicContact CE1-CB 4.1Å; F27-A1193 HydrophobicContact CZ-CB 4.4Å; C29-A1193 HydrophobicContact CB-CB 3.91Å; F1190-A1193 WeakPolarHBondContact O-CB 3.4Å; F1190-A1193 PolarHBondContact O-N 3.22Å; A1193-L1196 HydrophobicContact CB-CD2 4.41Å
1194D88.9Confident86.6Confident20 Ų2045.9 Ų45.911%0.10724%0.24CC..SBendtrans-79-31.2173.6-57.4-39000111.3M25 F27 L1216 R1217M25-D1194 HydrophobicContact CB-CB 4.07Å; F27-D1194 PolarHBondContact N-OD2 2.69Å; F27-D1194 WeakPolarHBondContact O-CA 3.18Å; F27-D1194 WeakPolarHBondContact O-CB 3.16Å; F27-D1194 PolarHBondContact O-N 2.96Å; D1194-L1216 PolarHBondContact O-N 3.46Å; D1194-R1217 HydrophobicContact CB-CG 4.13Å
1195A90.4Very high85.6Confident5 Ų550 Ų504%0.04128%0.283CS..EExtended strand (participates in β ladder)trans-144143.3177.100000112.4M25 F27 N28 C29 L1214M25-A1195 HydrophobicContact CB-CB 4.27Å; M25-A1195 HydrophobicContact CG-CB 3.84Å; F27-A1195 PolarHBondContact O-N 2.96Å; N28-A1195 WeakPolarHBondContact CA-O 3.15Å; C29-A1195 PolarHBondContact N-O 3.38Å; A1195-L1214 CarbonylContact C-O 3.33Å; A1195-L1214 WeakPolarHBondContact CA-O 3.43Å
1196L92.1Very high84.9Confident21 Ų2147.5 Ų47.511%0.1127%0.271CS..EExtended strand (participates in β ladder)trans-105.5135173.3-64.1176.9000110.8C29 I31 F1190 A1193 T1213 L1214 L1216C29-L1196 HydrophobicContact CB-CD2 4Å; C29-L1196 CarbonylContact O-C 3.56Å; C29-L1196 WeakPolarHBondContact O-CA 3.43Å; I31-L1196 HydrophobicContact CD1-CB 4.44Å; I31-L1196 HydrophobicContact CD1-CD1 4.17Å; I31-L1196 HydrophobicContact CD1-CD2 4.45Å; I31-L1196 HydrophobicContact CG2-CD2 4.37Å; F1190-L1196 HydrophobicContact CB-CD2 3.74Å; F1190-L1196 HydrophobicContact CD2-CD2 4.13Å; F1190-L1196 HydrophobicContact CG-CD2 4.27Å; A1193-L1196 HydrophobicContact CB-CD2 4.41Å; L1196-T1213 CarbonylContact O-C 3.57Å; L1196-T1213 WeakPolarHBondContact O-CA 3.42Å; L1196-L1214 HydrophobicContact CB-CB 4.42Å; L1196-L1214 PolarHBondContact N-O 2.79Å; L1196-L1214 PolarHBondContact O-N 3.13Å; L1196-L1216 HydrophobicContact CD1-CD1 3.73Å; L1196-L1216 HydrophobicContact CD1-CD2 4.06Å; L1196-L1216 HydrophobicContact CD1-CG 4.13Å; L1196-L1216 HydrophobicContact CD2-CD1 4.11Å; L1196-L1216 HydrophobicContact CG-CD1 3.55Å; L1196-L1216 HydrophobicContact CG-CD2 4.43Å; L1196-L1216 HydrophobicContact CG-CG 3.97Å
1197L91.9Very high84.6Confident1 Ų149.2 Ų49.21%0.00528%0.281CS..EExtended strand (participates in β ladder)trans-114.9101.7172.3-6497.1000109I21 F24 N28 C29 I30 I31 I1211 L1212 T1213I21-L1197 HydrophobicContact CG2-CD2 3.93Å; F24-L1197 HydrophobicContact CD1-CD1 4.2Å; F24-L1197 HydrophobicContact CD1-CD2 4.25Å; F24-L1197 HydrophobicContact CE1-CD1 4.15Å; F24-L1197 HydrophobicContact CE1-CD2 3.78Å; F24-L1197 HydrophobicContact CZ-CD2 4.32Å; N28-L1197 HydrophobicContact CB-CD1 3.81Å; C29-L1197 PolarHBondContact O-N 3.16Å; I30-L1197 CarbonylContact C-O 3.57Å; I30-L1197 WeakPolarHBondContact CA-O 3.38Å; I30-L1197 HydrophobicContact CG1-CB 4.13Å; I30-L1197 HydrophobicContact CG1-CD1 4.3Å; I31-L1197 PolarHBondContact N-O 3.17Å; L1197-I1211 HydrophobicContact CB-CD1 4.17Å; L1197-I1211 HydrophobicContact CD2-CD1 3.95Å; L1197-L1212 CarbonylContact C-O 3.16Å; L1197-L1212 WeakPolarHBondContact CA-O 3.38Å; L1197-T1213 HydrophobicContact CD2-CG2 3.9Å; L1197-T1213 HydrophobicContact CG-CG2 3.94Å
1198G92Very high84.6Confident23 Ų2343.3 Ų43.324%0.23725%0.254CS..EExtended strand (participates in β ladder)trans-84.4116.3179.300000111.8I31 I1211 L1212I31-G1198 WeakPolarHBondContact O-CA 3.5Å; G1198-I1211 WeakPolarHBondContact O-CA 3.48Å; G1198-L1212 PolarHBondContact N-O 2.97Å; G1198-L1212 PolarHBondContact O-N 3.23Å
1199V91.7Very high84.8Confident3 Ų340.2 Ų40.22%0.01824%0.24CC..EExtended strand (participates in β ladder)trans-101.5119.9175.3-176.10000109.9W15 I30 I31 G32 S36 K38 R1210 I1211W15-V1199 HydrophobicContact CH2-CG1 3.91Å; W15-V1199 HydrophobicContact CH2-CG2 4.38Å; W15-V1199 HydrophobicContact CZ2-CG1 4.23Å; I30-V1199 HydrophobicContact CG2-CG2 3.75Å; I31-V1199 PolarHBondContact O-N 3.32Å; G32-V1199 WeakPolarHBondContact CA-O 3.42Å; S36-V1199 VanDerWaalsContact CB-O 3.29Å; S36-V1199 WeakPolarHBondContact CB-O 3.38Å; S36-V1199 WeakPolarHBondContact O-CG1 3.48Å; S36-V1199 PolarHBondContact OG-O 3.16Å; K38-V1199 HydrophobicContact CG-CB 4.12Å; K38-V1199 HydrophobicContact CG-CG2 4.49Å; V1199-R1210 WeakPolarHBondContact CA-O 3.46Å; V1199-I1211 HydrophobicContact CG2-CD1 4.21Å; V1199-I1211 HydrophobicContact CG2-CG1 4.19Å
1200Y90.1Very high85Confident88 Ų8845 Ų4535%0.34526%0.257SS..EExtended strand (participates in β ladder)trans-123.4154.6176.175-80.4000110.8R1210 L1212Y1200-R1210 HydrophobicContact CD1-CB 4.1Å; Y1200-R1210 HydrophobicContact CE1-CB 3.46Å; Y1200-R1210 VanDerWaalsContact CE1-CB 3.46Å; Y1200-R1210 HydrophobicContact CE2-CB 4.14Å; Y1200-R1210 PolarHBondContact N-O 3.38Å; Y1200-R1210 PolarHBondContact O-N 2.88Å; Y1200-R1210 VanDerWaalsContact OH-CD 3.27Å; Y1200-R1210 WeakPolarHBondContact OH-CD 3.43Å; Y1200-L1212 HydrophobicContact CD1-CD1 4.19Å; Y1200-L1212 HydrophobicContact CD1-CG 4.35Å; Y1200-L1212 HydrophobicContact CE1-CD1 3.93Å; Y1200-L1212 HydrophobicContact CE1-CG 3.92Å
1201S87.8Confident85.1Confident40 Ų4043.9 Ų43.928%0.2825%0.254SS..EExtended strand (participates in β ladder)trans-103.1144.617744.20000110.8F1208S1201-F1208 WeakPolarHBondContact CA-O 3.29Å
1202D85.4Confident85.4Confident65 Ų6546.8 Ų46.835%0.34827%0.265SS..EExtended strand (participates in β ladder)trans-124.7154.5173.9-165.20.8000108.8F1208D1202-F1208 HydrophobicContact CB-CE1 3.91Å; D1202-F1208 HydrophobicContact CB-CE2 3.96Å; D1202-F1208 HydrophobicContact CB-CZ 3.58Å; D1202-F1208 PolarHBondContact N-O 2.97Å; D1202-F1208 PolarHBondContact O-N 2.79Å
1203L76.9Confident85.6Confident140 Ų14049.2 Ų49.273%0.73328%0.281SS*.EExtended strand (participates in β ladder)trans-121.499.1-167.7-147.8124000110.7
1204D67.9Low85.6Confident97 Ų9753.1 Ų53.152%0.51930%0.301SS..SBendtrans-134.984175.7-179.632.4000109.8R16 C1206 F1208R16-D1204 IonicContact CZ-OD2 2.78Å; R16-D1204 IonicContact NH1-OD2 2.64Å; R16-D1204 PolarHBondContact NH1-OD2 3.32Å; D1204-C1206 PolarHBondContact O-N 2.93Å; D1204-F1208 HydrophobicContact CB-CD1 4.28Å; D1204-F1208 HydrophobicContact CB-CE1 3.55Å; D1204-F1208 HydrophobicContact CB-CZ 4.45Å
1205G69.1Low85.7Confident88 Ų8854.6 Ų54.691%0.90731%0.309SS*.SBendtrans71.3-40.5-177.700000115.5
1206C71Confident85.5Confident25 Ų2556.1 Ų56.117%0.16932%0.316CS..SBendtrans-132.2143.5169177.90000107.8I70 D1204 F1208I70-C1206 HydrophobicContact CD1-CB 4.32Å; I70-C1206 WeakPolarHBondContact CD1-SG 3.48Å; D1204-C1206 PolarHBondContact O-N 2.93Å; C1206-F1208 PolarHBondContact O-N 2.87Å
1207M80.4Confident85.1Confident91 Ų9162.2 Ų62.245%0.44834%0.337SS..EExtended strand (participates in β ladder)trans-62.9127.4174.7-174-175-101.700109.3
1208F86.2Confident84.7Confident13 Ų1366.8 Ų66.86%0.05737%0.367CS..EExtended strand (participates in β ladder)trans-129.7145.6174.268.6-81.5000111.3S14 R16 S1201 D1202 D1204 C1206 R1210S14-F1208 CarbonylContact O-C 3.45Å; S14-F1208 WeakPolarHBondContact O-CA 3.49Å; S14-F1208 WeakPolarHBondContact O-CB 3.49Å; R16-F1208 HydrophobicContact CB-CB 3.9Å; R16-F1208 HydrophobicContact CB-CD2 4.39Å; R16-F1208 HydrophobicContact CB-CG 4.24Å; S1201-F1208 WeakPolarHBondContact CA-O 3.29Å; D1202-F1208 HydrophobicContact CB-CE1 3.91Å; D1202-F1208 HydrophobicContact CB-CE2 3.96Å; D1202-F1208 HydrophobicContact CB-CZ 3.58Å; D1202-F1208 PolarHBondContact N-O 2.97Å; D1202-F1208 PolarHBondContact O-N 2.79Å; D1204-F1208 HydrophobicContact CB-CD1 4.28Å; D1204-F1208 HydrophobicContact CB-CE1 3.55Å; D1204-F1208 HydrophobicContact CB-CZ 4.45Å; C1206-F1208 PolarHBondContact O-N 2.87Å; F1208-R1210 HydrophobicContact CD2-CG 4.43Å; F1208-R1210 HydrophobicContact CE2-CG 4.18Å
1209S89.1Confident84.2Confident1 Ų172.6 Ų72.61%0.00738%0.383CS..EExtended strand (participates in β ladder)trans-92144.3-175.8-58.20000111S14 W15 S36S14-S1209 WeakPolarHBondContact CB-OG 3.27Å; S14-S1209 PolarHBondContact O-N 3.39Å; S14-S1209 PolarHBondContact OG-OG 3.26Å; W15-S1209 WeakPolarHBondContact CZ3-O 3.35Å; S36-S1209 PolarHBondContact O-OG 3.25Å
1210R87.7Confident83.3Confident99 Ų9976.8 Ų76.837%0.37441%0.41SS..EExtended strand (participates in β ladder)trans-129.2161.2168.2-75.4-172.4177.4165.413.9110V1199 Y1200 F1208V1199-R1210 WeakPolarHBondContact CA-O 3.46Å; Y1200-R1210 HydrophobicContact CD1-CB 4.1Å; Y1200-R1210 HydrophobicContact CE1-CB 3.46Å; Y1200-R1210 VanDerWaalsContact CE1-CB 3.46Å; Y1200-R1210 HydrophobicContact CE2-CB 4.14Å; Y1200-R1210 PolarHBondContact N-O 3.38Å; Y1200-R1210 PolarHBondContact O-N 2.88Å; Y1200-R1210 VanDerWaalsContact OH-CD 3.27Å; Y1200-R1210 WeakPolarHBondContact OH-CD 3.43Å; F1208-R1210 HydrophobicContact CD2-CG 4.43Å; F1208-R1210 HydrophobicContact CE2-CG 4.18Å
1211I89.9Confident82.2Confident24 Ų2474.5 Ų74.512%0.12340%0.404CS..EExtended strand (participates in β ladder)trans-130.1143.9-176.1-160.8167.2000111.5W15 V20 I21 L1197 G1198 V1199W15-I1211 HydrophobicContact CH2-CB 4.06Å; W15-I1211 HydrophobicContact CZ3-CB 4.14Å; V20-I1211 WeakPolarHBondContact O-CG2 3.26Å; I21-I1211 HydrophobicContact CB-CD1 4.09Å; I21-I1211 HydrophobicContact CD1-CD1 4.4Å; I21-I1211 HydrophobicContact CG1-CD1 3.9Å; I21-I1211 HydrophobicContact CG2-CD1 3.64Å; L1197-I1211 HydrophobicContact CB-CD1 4.17Å; L1197-I1211 HydrophobicContact CD2-CD1 3.95Å; G1198-I1211 WeakPolarHBondContact O-CA 3.48Å; V1199-I1211 HydrophobicContact CG2-CD1 4.21Å; V1199-I1211 HydrophobicContact CG2-CG1 4.19Å
1212L90.4Very high80.6Confident112 Ų11276.9 Ų76.959%0.58643%0.425SS*.EExtended strand (participates in β ladder)trans-127.3144.7172.2-62.5169000108.3L1197 G1198 Y1200L1197-L1212 CarbonylContact C-O 3.16Å; L1197-L1212 WeakPolarHBondContact CA-O 3.38Å; G1198-L1212 PolarHBondContact N-O 2.97Å; G1198-L1212 PolarHBondContact O-N 3.23Å; Y1200-L1212 HydrophobicContact CD1-CD1 4.19Å; Y1200-L1212 HydrophobicContact CD1-CG 4.35Å; Y1200-L1212 HydrophobicContact CE1-CD1 3.93Å; Y1200-L1212 HydrophobicContact CE1-CG 3.92Å
1213T89.3Confident79.2Confident71 Ų7179.6 Ų79.644%0.43644%0.436SS..EExtended strand (participates in β ladder)trans-119.7139.9178.954.20000110.7G22 L1196 L1197G22-T1213 WeakPolarHBondContact O-CG2 3.23Å; L1196-T1213 CarbonylContact O-C 3.57Å; L1196-T1213 WeakPolarHBondContact O-CA 3.42Å; L1197-T1213 HydrophobicContact CD2-CG2 3.9Å; L1197-T1213 HydrophobicContact CG-CG2 3.94Å
1214L90.2Very high77.7Confident89 Ų8977.3 Ų77.347%0.46642%0.422SS..EExtended strand (participates in β ladder)trans-133.4126.9178.9-178.667.1000109.4A1195 L1196 L1216A1195-L1214 CarbonylContact C-O 3.33Å; A1195-L1214 WeakPolarHBondContact CA-O 3.43Å; L1196-L1214 HydrophobicContact CB-CB 4.42Å; L1196-L1214 PolarHBondContact N-O 2.79Å; L1196-L1214 PolarHBondContact O-N 3.13Å; L1214-L1216 HydrophobicContact CD2-CD2 4.05Å; L1214-L1216 HydrophobicContact CG-CD2 4.34Å
1215D89.3Confident76.4Confident51 Ų5178.4 Ų78.427%0.27342%0.424SS..EExtended strand (participates in β ladder)trans-86.4123.4174.7-168.8-13.9000109.4R1217D1215-R1217 WeakPolarHBondContact OD1-CB 3.48Å; D1215-R1217 WeakPolarHBondContact OD1-CG 3.39Å; D1215-R1217 IonicContact OD1-CZ 3.84Å; D1215-R1217 PolarHBondContact OD1-N 3.49Å; D1215-R1217 VanDerWaalsContact OD1-N 3.13Å; D1215-R1217 IonicContact OD1-NE 3.41Å; D1215-R1217 PolarHBondContact OD1-NE 3.49Å; D1215-R1217 IonicContact OD1-NH2 3.67Å; D1215-R1217 IonicContact OD2-CZ 2.82Å; D1215-R1217 IonicContact OD2-NE 3.04Å; D1215-R1217 PolarHBondContact OD2-NE 3.04Å; D1215-R1217 IonicContact OD2-NH2 3.06Å; D1215-R1217 PolarHBondContact OD2-NH2 3.36Å
1216L86.7Confident75Confident36 Ų3678.1 Ų78.119%0.18841%0.408CS..  trans-96.5-11.9-177.1-70.8-174000113.7D1194 L1196 L1214 P1218 Y1219D1194-L1216 PolarHBondContact O-N 3.46Å; L1196-L1216 HydrophobicContact CD1-CD1 3.73Å; L1196-L1216 HydrophobicContact CD1-CD2 4.06Å; L1196-L1216 HydrophobicContact CD1-CG 4.13Å; L1196-L1216 HydrophobicContact CD2-CD1 4.11Å; L1196-L1216 HydrophobicContact CG-CD1 3.55Å; L1196-L1216 HydrophobicContact CG-CD2 4.43Å; L1196-L1216 HydrophobicContact CG-CG 3.97Å; L1214-L1216 HydrophobicContact CD2-CD2 4.05Å; L1214-L1216 HydrophobicContact CG-CD2 4.34Å; L1216-P1218 VanDerWaalsContact C-N 3.31Å; L1216-Y1219 HydrophobicContact CD2-CD2 4.34Å; L1216-Y1219 PolarHBondContact O-N 3.48Å; L1216-Y1219 VanDerWaalsContact O-N 3.11Å
1217R83.2Confident73.5Confident150 Ų15079.8 Ų79.857%0.56642%0.42SS*.THydrogen-bonded Turntrans-57.9-30.4-179.4-60.6175.7-64.9166.53.6115.3D1194 D1215 Y1219D1194-R1217 HydrophobicContact CB-CG 4.13Å; D1215-R1217 WeakPolarHBondContact OD1-CB 3.48Å; D1215-R1217 WeakPolarHBondContact OD1-CG 3.39Å; D1215-R1217 IonicContact OD1-CZ 3.84Å; D1215-R1217 PolarHBondContact OD1-N 3.49Å; D1215-R1217 VanDerWaalsContact OD1-N 3.13Å; D1215-R1217 IonicContact OD1-NE 3.41Å; D1215-R1217 PolarHBondContact OD1-NE 3.49Å; D1215-R1217 IonicContact OD1-NH2 3.67Å; D1215-R1217 IonicContact OD2-CZ 2.82Å; D1215-R1217 IonicContact OD2-NE 3.04Å; D1215-R1217 PolarHBondContact OD2-NE 3.04Å; D1215-R1217 IonicContact OD2-NH2 3.06Å; D1215-R1217 PolarHBondContact OD2-NH2 3.36Å; R1217-Y1219 PolarHBondContact O-N 2.97Å
1218P84Confident71.3Confident97 Ų9780.2 Ų80.263%0.6342%0.424SS*.THydrogen-bonded Turntrans-70.3-11.8176.8-21.734.8000115L1216L1216-P1218 VanDerWaalsContact C-N 3.31Å
1219Y82.3Confident69.1Low145 Ų14587.3 Ų87.357%0.56946%0.457SS*.SBendtrans-101.6132.5-175.2-57.7-82.6000110.9L1216 R1217L1216-Y1219 HydrophobicContact CD2-CD2 4.34Å; L1216-Y1219 PolarHBondContact O-N 3.48Å; L1216-Y1219 VanDerWaalsContact O-N 3.11Å; R1217-Y1219 PolarHBondContact O-N 2.97Å
1220P71.6Confident66.8Low90 Ų9092.4 Ų92.458%0.58449%0.488SS*.PPolyproline II helixtrans-69.2145.1177.828.6-33.2000111
1221L67.1Low64.5Low41 Ų4193.9 Ų93.922%0.21550%0.504CS..PPolyproline II helixtrans-89.2139.7173.5-69.1168.1000109.7E1223 E1224L1221-E1223 PolarHBondContact O-N 3.23Å; L1221-E1224 PolarHBondContact O-N 3.34Å
1222A56Low62Low89 Ų89103.5 Ų103.574%0.73654%0.538SS*.Hα-helixtrans-56.5-20.5-17900000114.6
1223E54.8Low59.5Low122 Ų122101.6 Ų101.657%0.5755%0.546SS*.Hα-helixtrans-78-19175.2-68.7173.6-176.300112.9K1192 L1221 S1226K1192-E1223 IonicContact NZ-OE1 3.02Å; K1192-E1223 PolarHBondContact NZ-OE1 3.18Å; K1192-E1223 IonicContact NZ-OE2 3.12Å; K1192-E1223 PolarHBondContact NZ-OE2 3.48Å; L1221-E1223 PolarHBondContact O-N 3.23Å; E1223-S1226 PolarHBondContact O-OG 3.27Å
1224E46.5Very low57Low93 Ų93102.4 Ų102.444%0.43556%0.555SS.*Hα-helixtrans-93.8-13.7-179.2-70.6178.5-177.600113.6L1221 S1227 N1228L1221-E1224 PolarHBondContact O-N 3.34Å; E1224-S1227 PolarHBondContact O-OG 3.24Å; E1224-N1228 PolarHBondContact O-N 3.12Å; E1224-N1228 PolarHBondContact O-ND2 3.34Å; E1224-N1228 VanDerWaalsContact O-ND2 3.1Å
1225E39.9Very low54.6Low119 Ų119107.5 Ų107.556%0.55658%0.576SS**Hα-helixtrans-75.8-35.3173.4-73.4-17615900112S1227 N1228 E1229E1225-S1227 VanDerWaalsContact C-N 3.34Å; E1225-S1227 PolarHBondContact O-N 3.49Å; E1225-N1228 PolarHBondContact O-N 3.15Å; E1225-E1229 PolarHBondContact O-N 3.3Å; E1225-E1229 VanDerWaalsContact O-N 3.13Å
1226S39.7Very low52.3Low82 Ų82109.4 Ų109.457%0.57360%0.599SS**Hα-helixtrans-72.6-23.4-179.661.30000114.3E1223 T1230E1223-S1226 PolarHBondContact O-OG 3.27Å; S1226-T1230 PolarHBondContact O-OG1 3.46Å
1227S38.9Very low49.8Very low60 Ų60113.7 Ų113.742%0.4263%0.631SS.*Hα-helixtrans-87.7-28.8174.744.40000113E1224 E1225 T1230E1224-S1227 PolarHBondContact O-OG 3.24Å; E1225-S1227 VanDerWaalsContact C-N 3.34Å; E1225-S1227 PolarHBondContact O-N 3.49Å; S1227-T1230 PolarHBondContact O-OG1 3.38Å
1228N35.9Very low47.3Very low101 Ų101112.6 Ų112.654%0.5464%0.644SS.*Hα-helixtrans-81.9-21.1176.3-80.6-41.9000114E1224 E1225E1224-N1228 PolarHBondContact O-N 3.12Å; E1224-N1228 PolarHBondContact O-ND2 3.34Å; E1224-N1228 VanDerWaalsContact O-ND2 3.1Å; E1225-N1228 PolarHBondContact O-N 3.15Å
1229E39.9Very low45.3Very low162 Ų162113.5 Ų113.576%0.75765%0.65SS**THydrogen-bonded Turntrans-76.7-24171.2-78.1-170.9158.400113.1E1225E1225-E1229 PolarHBondContact O-N 3.3Å; E1225-E1229 VanDerWaalsContact O-N 3.13Å
1230T40.3Very low43.2Very low107 Ų107115.6 Ų115.666%0.65667%0.665SS**THydrogen-bonded Turntrans-80-25.2176.4240000113.3S1226 S1227S1226-T1230 PolarHBondContact O-OG1 3.46Å; S1227-T1230 PolarHBondContact O-OG1 3.38Å
1231D38.4Very low41.3Very low130 Ų130118.4 Ų118.470%0.69567%0.674SS**SBendtrans-91.2-5.3177.6-101.7-7.7000114.6
1232R38.2Very low40.4Very low226 Ų226121.5 Ų121.585%0.85370%0.696SS**SBendtrans-96.10.2174.1-75-173.6178.5-175.42.1114.6
1233G37.3Very low39.3Very low72 Ų72126.1 Ų126.174%0.74272%0.723SS**SBendtrans-98.2-0.2-17900000116
1234S37.6Very low38.5Very low89 Ų89126.3 Ų126.362%0.62273%0.731SS**SBendtrans-119.513.6-169.156.10000115.7
1235E38.8Very low38.1Very low195 Ų195128.1 Ų128.191%0.91175%0.746SS**SBendtrans-124.859.1171.6-76.5-169.415800112.3
1236A42.3Very low38Very low91 Ų91128.6 Ų128.675%0.75276%0.757SS**  trans-161.985.5160.700000111.1
1237C33.7Very low37.9Very low127 Ų127131.3 Ų131.386%0.85877%0.767SS**  trans168.691.9142.2-98.80000110.8
1238C30.7Very low37.8Very low127 Ų127135.8 Ų135.886%0.85879%0.789SS**  trans-133.5107.6145.4-83.80000106.1
1239P41.8Very low37.9Very low115 Ų115138.1 Ų138.175%0.74781%0.806SS**PPolyproline II helixtrans-75.7126.8166.416.1-4000108.4I1241P1239-I1241 PolarHBondContact O-N 3.33Å
1240E37.7Very low37.8Very low189 Ų189136.4 Ų136.488%0.88381%0.809SS**PPolyproline II helixtrans-57.5130.8165.5-66.9179.1149.300109.8
1241I32.5Very low37.6Very low150 Ų150138.6 Ų138.677%0.76982%0.821SS**PPolyproline II helixtrans-100.8121.5165.3-59.5169.9000107.3P1239P1239-I1241 PolarHBondContact O-N 3.33Å
1242P47.1Very low37.5Very low106 Ų106139.3 Ų139.369%0.68883%0.832SS**  trans-111.9119.3147.831.5-18.8000109
1243S32.5Very low37.5Very low185 Ų185131.5 Ų131.5100%1.29483%0.83SS**  trans60.20177.755.70000117.7

Retrieved 1,243 of 1,243 residues in 768.4 ms (Link to these results)

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