A0A087YFU1_POEFO Loading...

Coatomer subunit delta

The coatomer is a cytosolic protein complex that binds to dilysine motifs and reversibly associates with Golgi non-clathrin-coated vesicles, which further mediate biosynthetic protein transport from the ER, via the Golgi up to the trans Golgi network. Coatomer complex is required for budding from Golgi membranes, and is essential for the retrograde Golgi-to-ER transport of dilysine-tagged proteins.

AlphaFold DB (A0A3B3V5S8), UniProt , Accession A0A087YFU1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 508 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
1M62.7Low88.3Confident61 Ų6124.4 Ų24.430%0.312%0.121SC..  0122.30-169.9-171.8-160.200107.2E78 Y121 R122M1-E78 HydrophobicContact CE-CB 4.01Å; M1-E78 HydrophobicContact CE-CG 3.38Å; M1-E78 WeakPolarHBondContact CE-OE1 3.34Å; M1-E78 VanDerWaalsContact CE-OE2 3.25Å; M1-E78 WeakPolarHBondContact CE-OE2 3.27Å; M1-E78 VanDerWaalsContact SD-CD 3.53Å; M1-E78 HydrophobicContact SD-CG 4.49Å; M1-Y121 HydrophobicContact CB-CD1 4.4Å; M1-Y121 VanDerWaalsContact O-CE1 3.26Å; M1-Y121 WeakPolarHBondContact O-CE1 3.4Å; M1-R122 HydrophobicContact CE-CB 3.77Å; M1-R122 HydrophobicContact SD-CB 4.34Å
2V75.9Confident87.9Confident46 Ų4629.3 Ų29.328%0.27917%0.169SC..  trans-150.396173.3-167.20000107.8L4 V22 T71 G120V2-L4 HydrophobicContact CG1-CD2 4.01Å; V2-V22 HydrophobicContact CG1-CG2 3.58Å; V2-T71 HydrophobicContact CB-CG2 4.43Å; V2-T71 PolarHBondContact O-N 3.07Å; V2-G120 WeakPolarHBondContact CA-O 3.37Å
3L90.5Very high87.4Confident2 Ų227.5 Ų27.51%0.0116%0.16CC..EExtended strand (participates in β ladder)trans-73.9120.1168.2-169.1158.1000107.1F21 L68 T70 T82 V117 G120L3-F21 HydrophobicContact CD2-CD2 3.32Å; L3-F21 HydrophobicContact CD2-CE2 3.47Å; L3-F21 VanDerWaalsContact CD2-CE2 3.47Å; L3-F21 HydrophobicContact CD2-CG 4.44Å; L3-L68 HydrophobicContact CD1-CD1 3.84Å; L3-L68 HydrophobicContact CD1-CD2 4.27Å; L3-L68 HydrophobicContact CD1-CG 4.47Å; L3-T70 HydrophobicContact CB-CG2 4.32Å; L3-T70 HydrophobicContact CG-CG2 4.04Å; L3-T82 HydrophobicContact CD1-CG2 3.84Å; L3-V117 HydrophobicContact CD1-CG2 4.05Å; L3-V117 HydrophobicContact CD2-CG1 4.45Å; L3-G120 PolarHBondContact N-O 3.23Å; L3-G120 WeakPolarHBondContact O-CA 3.46Å
4L92.8Very high87.6Confident16 Ų1634.1 Ų34.18%0.08419%0.186CC..EExtended strand (participates in β ladder)trans-85.2-47.5-171.6-57.5176.8000111.2V2 F21 V22 M24 V54 I69 T71V2-L4 HydrophobicContact CG1-CD2 4.01Å; L4-F21 PolarHBondContact O-N 3.02Å; L4-V22 HydrophobicContact CD2-CB 4.27Å; L4-V22 HydrophobicContact CD2-CG2 4.16Å; L4-V22 PolarHBondContact O-N 2.89Å; L4-M24 HydrophobicContact CB-CE 3.82Å; L4-M24 HydrophobicContact CB-SD 4.27Å; L4-V54 HydrophobicContact CD1-CG1 3.92Å; L4-I69 WeakPolarHBondContact CA-O 3.36Å; L4-I69 HydrophobicContact CB-CG2 4.49Å; L4-I69 VanDerWaalsContact CB-O 3.31Å; L4-I69 WeakPolarHBondContact CB-O 3.43Å; L4-I69 HydrophobicContact CD1-CG2 4.25Å; L4-I69 PolarHBondContact N-O 2.88Å; L4-T71 HydrophobicContact CD1-CG2 4.15Å; L4-T71 HydrophobicContact CD2-CG2 4.01Å; L4-T71 HydrophobicContact CG-CG2 4.2Å
5A94.6Very high87.8Confident1 Ų134.5 Ų34.51%0.00820%0.195CC..EExtended strand (participates in β ladder)trans-154153.3-18000000111.7R19 Q20 M24 I29 L68 I69A5-R19 CarbonylContact C-O 3.59Å; A5-R19 VanDerWaalsContact CA-O 3.23Å; A5-R19 WeakPolarHBondContact CA-O 3.38Å; A5-R19 WeakPolarHBondContact CB-O 3.49Å; A5-Q20 HydrophobicContact CB-CG 4.15Å; A5-M24 HydrophobicContact CB-CE 3.75Å; A5-I29 HydrophobicContact CB-CD1 3.77Å; A5-L68 WeakPolarHBondContact O-CA 3.43Å; A5-I69 PolarHBondContact N-O 3.45Å; A5-I69 PolarHBondContact O-N 3.34Å
6A95.5Very high88.1Confident0 Ų034.3 Ų34.30%019%0.193CC..EExtended strand (participates in β ladder)trans-115.4139.7166.600000108.6S18 R19 F21 M66 V67 L68 F86A6-S18 CarbonylContact O-C 3.5Å; A6-S18 WeakPolarHBondContact O-CA 3.43Å; A6-S18 PolarHBondContact O-OG 3.23Å; A6-R19 PolarHBondContact N-O 3.43Å; A6-R19 PolarHBondContact O-N 3.36Å; A6-F21 HydrophobicContact CB-CE2 3.7Å; A6-F21 HydrophobicContact CB-CZ 4.22Å; A6-M66 HydrophobicContact CB-CE 3.77Å; A6-V67 CarbonylContact C-O 3.54Å; A6-V67 WeakPolarHBondContact CA-O 3.4Å; A6-L68 HydrophobicContact CB-CD2 3.51Å; A6-F86 HydrophobicContact CB-CD1 4.2Å; A6-F86 HydrophobicContact CB-CE1 3.65Å; A6-F86 HydrophobicContact CB-CZ 3.91Å
7A95.2Very high88.5Confident0 Ų032.6 Ų32.60%018%0.184CC..EExtended strand (participates in β ladder)trans-147.3143.4-18000000111.9V17 L33 M66 V67A7-V17 CarbonylContact C-O 3.5Å; A7-V17 VanDerWaalsContact CA-O 3.28Å; A7-V17 WeakPolarHBondContact CA-O 3.44Å; A7-L33 HydrophobicContact CB-CD1 3.71Å; A7-L33 HydrophobicContact CB-CD2 3.78Å; A7-L33 HydrophobicContact CB-CG 4.43Å; A7-M66 VanDerWaalsContact O-SD 3.4Å; A7-V67 PolarHBondContact N-O 3.33Å; A7-V67 PolarHBondContact O-N 2.97Å
8V94.8Very high88.8Confident0 Ų032.4 Ų32.40%019%0.185CC..EExtended strand (participates in β ladder)trans-100.6123.3162.2-173.30000107.5I16 V17 L64 Y65 M66 I90 I102V8-I16 PolarHBondContact O-N 2.94Å; V8-V17 HydrophobicContact CB-CG1 3.75Å; V8-V17 HydrophobicContact CG2-CG1 3.71Å; V8-V17 PolarHBondContact N-O 3.31Å; V8-V17 PolarHBondContact O-N 3.38Å; V8-L64 HydrophobicContact CG1-CB 4.18Å; V8-L64 HydrophobicContact CG1-CD1 4.03Å; V8-Y65 WeakPolarHBondContact CA-O 3.49Å; V8-M66 HydrophobicContact CG2-SD 3.66Å; V8-I90 HydrophobicContact CG2-CD1 3.71Å; V8-I102 HydrophobicContact CG1-CD1 3.77Å
9C93.2Very high89.1Confident0 Ų034.9 Ų34.90%019%0.191CC..EExtended strand (participates in β ladder)trans-132.3158.6179.964.80000111.9K14 L64 Y65C9-K14 CarbonylContact C-O 3.51Å; C9-K14 WeakPolarHBondContact CA-O 3.4Å; C9-K14 VanDerWaalsContact CB-O 3.27Å; C9-K14 WeakPolarHBondContact CB-O 3.32Å; C9-L64 CarbonylContact O-C 3.5Å; C9-L64 WeakPolarHBondContact O-CA 3.29Å; C9-Y65 PolarHBondContact N-O 3.32Å; C9-Y65 PolarHBondContact O-N 2.91Å
10T91.1Very high89.4Confident20 Ų2036.2 Ų36.212%0.12320%0.196CC..EExtended strand (participates in β ladder)trans-72.9167.9172.263.20000110.8A12 G13 K14 I16 L64T10-A12 PolarHBondContact O-N 2.98Å; T10-A12 VanDerWaalsContact O-N 3.08Å; T10-A12 PolarHBondContact OG1-N 3.41Å; T10-G13 PolarHBondContact O-N 2.86Å; T10-K14 HydrophobicContact CG2-CB 4.46Å; T10-K14 PolarHBondContact N-O 3.12Å; T10-K14 WeakPolarHBondContact OG1-CB 3.48Å; T10-K14 PolarHBondContact OG1-N 3.12Å; T10-K14 PolarHBondContact OG1-O 3.03Å; T10-I16 HydrophobicContact CG2-CD1 3.92Å; T10-I16 HydrophobicContact CG2-CG1 4.15Å; T10-L64 HydrophobicContact CG2-CD2 4.04Å
11K84.8Confident89.6Confident122 Ų12235.3 Ų35.353%0.5319%0.19SC..THydrogen-bonded Turntrans-58.3-22.1172.5-57.1-167.4175.2177.70114G13 K63 Y65K11-G13 VanDerWaalsContact C-N 3.28Å; K11-K63 WeakPolarHBondContact CG-O 3.44Å; K11-Y65 HydrophobicContact CB-CE2 4Å; K11-Y65 HydrophobicContact CD-CE2 4.47Å; K11-Y65 HydrophobicContact CG-CD2 4.25Å; K11-Y65 HydrophobicContact CG-CE2 3.67Å
12A84Confident90.9Very high84 Ų8434.8 Ų34.869%0.69419%0.19SC*.THydrogen-bonded Turntrans-82.9-0.1175.100000113.6T10 K14T10-A12 PolarHBondContact O-N 2.98Å; T10-A12 VanDerWaalsContact O-N 3.08Å; T10-A12 PolarHBondContact OG1-N 3.41Å; A12-K14 VanDerWaalsContact C-N 3.29Å; A12-K14 PolarHBondContact O-N 2.96Å
13G81.6Confident91.4Very high5 Ų541.9 Ų41.95%0.05222%0.22CC..  trans80.96.3-179.800000114.3T10 K11 A15 L33 P37T10-G13 PolarHBondContact O-N 2.86Å; K11-G13 VanDerWaalsContact C-N 3.28Å; G13-A15 PolarHBondContact O-N 3.4Å; G13-L33 WeakPolarHBondContact CA-O 3.3Å; G13-L33 CarbonylContact O-C 3.46Å; G13-P37 VanDerWaalsContact N-CG 3.28Å
14K89.9Confident91.3Very high121 Ų12143.3 Ų43.353%0.52623%0.227SC..  trans-70.4119.5171.5-176.6-168175.3-161.20108.9C9 T10 A12 E99C9-K14 CarbonylContact C-O 3.51Å; C9-K14 WeakPolarHBondContact CA-O 3.4Å; C9-K14 VanDerWaalsContact CB-O 3.27Å; C9-K14 WeakPolarHBondContact CB-O 3.32Å; T10-K14 HydrophobicContact CG2-CB 4.46Å; T10-K14 PolarHBondContact N-O 3.12Å; T10-K14 WeakPolarHBondContact OG1-CB 3.48Å; T10-K14 PolarHBondContact OG1-N 3.12Å; T10-K14 PolarHBondContact OG1-O 3.03Å; A12-K14 VanDerWaalsContact C-N 3.29Å; A12-K14 PolarHBondContact O-N 2.96Å; K14-E99 IonicContact NZ-OE1 3.53Å; K14-E99 PolarHBondContact NZ-OE1 2.91Å
15A90.8Very high91.2Very high39 Ų3947 Ų4732%0.32225%0.251SS..EExtended strand (participates in β ladder)trans-70.1129175.100000110.6G13 L33G13-A15 PolarHBondContact O-N 3.4Å; A15-L33 HydrophobicContact CB-CD1 3.57Å
16I92.6Very high90.9Very high31 Ų3156 Ų5616%0.15928%0.284CS..EExtended strand (participates in β ladder)trans-94.4-52.9174.3-57.5170.6000108.6V8 T10 L64 E99 I102V8-I16 PolarHBondContact O-N 2.94Å; T10-I16 HydrophobicContact CG2-CD1 3.92Å; T10-I16 HydrophobicContact CG2-CG1 4.15Å; I16-L64 HydrophobicContact CD1-CD1 3.9Å; I16-L64 HydrophobicContact CD1-CD2 3.41Å; I16-L64 VanDerWaalsContact CD1-CD2 3.41Å; I16-L64 HydrophobicContact CD1-CG 4.29Å; I16-E99 HydrophobicContact CD1-CB 3.96Å; I16-E99 HydrophobicContact CD1-CG 3.85Å; I16-E99 HydrophobicContact CG1-CG 3.99Å; I16-E99 HydrophobicContact CG2-CG 4.3Å; I16-I102 HydrophobicContact CB-CG2 4.44Å; I16-I102 HydrophobicContact CG2-CB 4.11Å; I16-I102 HydrophobicContact CG2-CG2 3.7Å
17V93.9Very high90.7Very high7 Ų761.3 Ų61.34%0.04232%0.317CS..EExtended strand (participates in β ladder)trans-133.4139.1170.860.70000108.7A7 V8 I102 C106 I110A7-V17 CarbonylContact C-O 3.5Å; A7-V17 VanDerWaalsContact CA-O 3.28Å; A7-V17 WeakPolarHBondContact CA-O 3.44Å; V8-V17 HydrophobicContact CB-CG1 3.75Å; V8-V17 HydrophobicContact CG2-CG1 3.71Å; V8-V17 PolarHBondContact N-O 3.31Å; V8-V17 PolarHBondContact O-N 3.38Å; V17-I102 HydrophobicContact CG1-CG2 3.81Å; V17-C106 HydrophobicContact CG2-CB 4.34Å; V17-I110 HydrophobicContact CG2-CD1 4.16Å; V17-I110 HydrophobicContact CG2-CG1 3.99Å
18S94.4Very high90.4Very high28 Ų2867.7 Ų67.720%0.19634%0.341CS..EExtended strand (participates in β ladder)trans-143.1128.4172.9-176.90000110.4A6 Q20A6-S18 CarbonylContact O-C 3.5Å; A6-S18 WeakPolarHBondContact O-CA 3.43Å; A6-S18 PolarHBondContact O-OG 3.23Å; S18-Q20 PolarHBondContact O-NE2 3Å; S18-Q20 VanDerWaalsContact O-NE2 3.14Å; S18-Q20 PolarHBondContact OG-NE2 2.92Å
19R95.1Very high90.3Very high80 Ų8068.1 Ų68.130%0.30234%0.344SS..EExtended strand (participates in β ladder)trans-109.7124.4174.5-176.155.5174.9158.9-3.4109.6A5 A6 F21 F113 D114A5-R19 CarbonylContact C-O 3.59Å; A5-R19 VanDerWaalsContact CA-O 3.23Å; A5-R19 WeakPolarHBondContact CA-O 3.38Å; A5-R19 WeakPolarHBondContact CB-O 3.49Å; A6-R19 PolarHBondContact N-O 3.43Å; A6-R19 PolarHBondContact O-N 3.36Å; R19-F21 HydrophobicContact CB-CZ 4.22Å; R19-F21 HydrophobicContact CG-CD1 4.31Å; R19-F21 HydrophobicContact CG-CE1 3.68Å; R19-F21 HydrophobicContact CG-CE2 4.4Å; R19-F21 HydrophobicContact CG-CZ 3.75Å; R19-F113 HydrophobicContact CB-CD2 4.08Å; R19-F113 HydrophobicContact CG-CB 4.43Å; R19-D114 IonicContact CZ-OD1 3.38Å; R19-D114 VanDerWaalsContact CZ-OD1 3.27Å; R19-D114 IonicContact CZ-OD2 2.69Å; R19-D114 IonicContact NE-OD1 3.58Å; R19-D114 PolarHBondContact NE-OD1 3.1Å; R19-D114 IonicContact NE-OD2 2.98Å; R19-D114 VanDerWaalsContact NH2-CG 3.29Å; R19-D114 IonicContact NH2-OD1 2.77Å; R19-D114 PolarHBondContact NH2-OD1 2.78Å; R19-D114 IonicContact NH2-OD2 3.27Å; R19-D114 PolarHBondContact NH2-OD2 3.29Å
20Q94.7Very high90.1Very high61 Ų6172.3 Ų72.329%0.28536%0.363SS..EExtended strand (participates in β ladder)trans-101.5128.5175.7-55.776.240.400108.9A5 S18 M24 I29A5-Q20 HydrophobicContact CB-CG 4.15Å; S18-Q20 PolarHBondContact O-NE2 3Å; S18-Q20 VanDerWaalsContact O-NE2 3.14Å; S18-Q20 PolarHBondContact OG-NE2 2.92Å; Q20-M24 HydrophobicContact CG-CE 4.21Å; Q20-I29 HydrophobicContact CG-CG1 4.49Å
21F93.6Very high90Very high18 Ų1873.3 Ų73.38%0.07938%0.377CS..SBendtrans-100.5-11.6179.9-54.7-77.8000112.4L3 L4 A6 R19 F86 F113 V117L3-F21 HydrophobicContact CD2-CD2 3.32Å; L3-F21 HydrophobicContact CD2-CE2 3.47Å; L3-F21 VanDerWaalsContact CD2-CE2 3.47Å; L3-F21 HydrophobicContact CD2-CG 4.44Å; L4-F21 PolarHBondContact O-N 3.02Å; A6-F21 HydrophobicContact CB-CE2 3.7Å; A6-F21 HydrophobicContact CB-CZ 4.22Å; R19-F21 HydrophobicContact CB-CZ 4.22Å; R19-F21 HydrophobicContact CG-CD1 4.31Å; R19-F21 HydrophobicContact CG-CE1 3.68Å; R19-F21 HydrophobicContact CG-CE2 4.4Å; R19-F21 HydrophobicContact CG-CZ 3.75Å; F21-F86 HydrophobicContact CE2-CZ 4.2Å; F21-F86 HydrophobicContact CZ-CE1 4.29Å; F21-F86 AromaticContact CZ-CZ 3.84Å; F21-F86 HydrophobicContact CZ-CZ 3.84Å; F21-F113 HydrophobicContact CZ-CB 4.35Å; F21-V117 HydrophobicContact CB-CG1 4.09Å; F21-V117 HydrophobicContact CD1-CB 3.84Å; F21-V117 HydrophobicContact CD1-CG1 3.69Å; F21-V117 VanDerWaalsContact CD1-O 3.28Å; F21-V117 WeakPolarHBondContact CD1-O 3.2Å; F21-V117 HydrophobicContact CD2-CB 4.33Å; F21-V117 HydrophobicContact CD2-CG1 3.89Å; F21-V117 HydrophobicContact CE1-CB 3.65Å; F21-V117 HydrophobicContact CE1-CG1 4.04Å; F21-V117 WeakPolarHBondContact CE1-O 3.37Å; F21-V117 HydrophobicContact CE2-CB 4.14Å; F21-V117 HydrophobicContact CE2-CG1 4.19Å; F21-V117 HydrophobicContact CE2-CG2 4.47Å; F21-V117 HydrophobicContact CG-CB 4.17Å; F21-V117 HydrophobicContact CG-CG1 3.6Å; F21-V117 HydrophobicContact CZ-CB 3.8Å; F21-V117 HydrophobicContact CZ-CG1 4.27Å; F21-V117 HydrophobicContact CZ-CG2 4.33Å
22V89.8Confident90.3Very high50 Ų5068.9 Ų68.930%0.30336%0.359SS..SBendtrans-125.3145.1172.9-178.20000108.2V2 L4 M24V2-V22 HydrophobicContact CG1-CG2 3.58Å; L4-V22 HydrophobicContact CD2-CB 4.27Å; L4-V22 HydrophobicContact CD2-CG2 4.16Å; L4-V22 PolarHBondContact O-N 2.89Å; V22-M24 PolarHBondContact O-N 3.34Å; V22-M24 VanDerWaalsContact O-N 3.08Å
23E86.7Confident90.6Very high194 Ų19465 Ų6591%0.90733%0.327SS*.  trans-55.9115.5-179.5-167.9177.1-17800111.3
24M87.8Confident91Very high32 Ų3267.3 Ų67.316%0.15835%0.346CS..  trans-143.7143.1178.1-70.9-160.4-6800109.9L4 A5 Q20 V22 I29L4-M24 HydrophobicContact CB-CE 3.82Å; L4-M24 HydrophobicContact CB-SD 4.27Å; A5-M24 HydrophobicContact CB-CE 3.75Å; Q20-M24 HydrophobicContact CG-CE 4.21Å; V22-M24 PolarHBondContact O-N 3.34Å; V22-M24 VanDerWaalsContact O-N 3.08Å; M24-I29 HydrophobicContact CE-CD1 4.39Å
25T91.3Very high90.9Very high95 Ų9563.3 Ų63.358%0.58334%0.335SS*.  trans-72.4147.4175.861.30000110.8T27 R28 I29T25-T27 VanDerWaalsContact C-N 3.29Å; T25-T27 PolarHBondContact O-N 3.05Å; T25-R28 WeakPolarHBondContact O-CB 3.49Å; T25-R28 PolarHBondContact O-N 3.15Å; T25-R28 WeakPolarHBondContact OG1-CB 3.35Å; T25-I29 PolarHBondContact O-N 3.15Å
26R88.1Confident90.8Very high188 Ų18861.4 Ų61.471%0.70932%0.319SS*.Hα-helixtrans-53.6-44.6177.7-178.1177.3170.9175.60.3112.8R28 I29 E30R26-R28 VanDerWaalsContact C-N 3.25Å; R26-R28 PolarHBondContact O-N 2.98Å; R26-I29 WeakPolarHBondContact O-CG2 3.29Å; R26-I29 PolarHBondContact O-N 2.97Å; R26-E30 HydrophobicContact CG-CG 4.38Å; R26-E30 IonicContact CZ-OE1 2.75Å; R26-E30 IonicContact NE-OE1 3.88Å; R26-E30 PolarHBondContact NE-OE1 2.93Å; R26-E30 IonicContact NH2-OE1 3.62Å; R26-E30 PolarHBondContact NH2-OE1 3.22Å; R26-E30 VanDerWaalsContact NH2-OE1 3.07Å; R26-E30 WeakPolarHBondContact O-CG 3.31Å; R26-E30 PolarHBondContact O-N 3.37Å
27T90.3Very high90.6Very high112 Ų11261.4 Ų61.469%0.68732%0.321SS*.Hα-helixtrans-60.4-35.6178.8-47.60000112.3T25 G31T25-T27 VanDerWaalsContact C-N 3.29Å; T25-T27 PolarHBondContact O-N 3.05Å; T27-G31 PolarHBondContact O-N 2.94Å
28R90.8Very high90.2Very high134 Ų13469.6 Ų69.651%0.50636%0.356SS..Hα-helixtrans-68.3-47178.5-176.4177.5179.9178.8-0.9111.2T25 R26 G31 L32T25-R28 WeakPolarHBondContact O-CB 3.49Å; T25-R28 PolarHBondContact O-N 3.15Å; T25-R28 WeakPolarHBondContact OG1-CB 3.35Å; R26-R28 VanDerWaalsContact C-N 3.25Å; R26-R28 PolarHBondContact O-N 2.98Å; R28-G31 PolarHBondContact O-N 3.32Å; R28-L32 HydrophobicContact CG-CD1 4.19Å; R28-L32 VanDerWaalsContact O-CG 3.26Å; R28-L32 WeakPolarHBondContact O-CG 3.36Å; R28-L32 PolarHBondContact O-N 3.48Å
29I91.9Very high89.7Confident10 Ų1071.1 Ų71.15%0.05136%0.362CS..Hα-helixtrans-66.8-42.3-179.6-175.462.8000111.9A5 Q20 M24 T25 R26 G31 L32 L33 I69A5-I29 HydrophobicContact CB-CD1 3.77Å; Q20-I29 HydrophobicContact CG-CG1 4.49Å; M24-I29 HydrophobicContact CE-CD1 4.39Å; T25-I29 PolarHBondContact O-N 3.15Å; R26-I29 WeakPolarHBondContact O-CG2 3.29Å; R26-I29 PolarHBondContact O-N 2.97Å; I29-G31 VanDerWaalsContact C-N 3.32Å; I29-G31 PolarHBondContact O-N 3.05Å; I29-L32 PolarHBondContact O-N 3.36Å; I29-L33 HydrophobicContact CD1-CD1 4.07Å; I29-L33 HydrophobicContact CD1-CG 4.17Å; I29-L33 HydrophobicContact CG1-CD1 3.93Å; I29-L33 HydrophobicContact CG1-CG 4.42Å; I29-L33 WeakPolarHBondContact O-CG 3.3Å; I29-L33 PolarHBondContact O-N 3.48Å; I29-I69 HydrophobicContact CD1-CD1 3.51Å
30E89.1Confident88.9Confident88 Ų8869.2 Ų69.241%0.41136%0.357SS..Hα-helixtrans-61-41.7175.1-72.7175.9169.800111.3R26 L33 A34R26-E30 HydrophobicContact CG-CG 4.38Å; R26-E30 IonicContact CZ-OE1 2.75Å; R26-E30 IonicContact NE-OE1 3.88Å; R26-E30 PolarHBondContact NE-OE1 2.93Å; R26-E30 IonicContact NH2-OE1 3.62Å; R26-E30 PolarHBondContact NH2-OE1 3.22Å; R26-E30 VanDerWaalsContact NH2-OE1 3.07Å; R26-E30 WeakPolarHBondContact O-CG 3.31Å; R26-E30 PolarHBondContact O-N 3.37Å; E30-L33 PolarHBondContact O-N 3.17Å; E30-A34 VanDerWaalsContact O-CB 3.23Å; E30-A34 WeakPolarHBondContact O-CB 3.39Å; E30-A34 PolarHBondContact O-N 2.89Å
31G89.6Confident87.4Confident41 Ų4172 Ų7242%0.42337%0.374SS..Hα-helixtrans-63.4-42.1175.800000113.6T27 R28 I29 A35T27-G31 PolarHBondContact O-N 2.94Å; R28-G31 PolarHBondContact O-N 3.32Å; I29-G31 VanDerWaalsContact C-N 3.32Å; I29-G31 PolarHBondContact O-N 3.05Å; G31-A35 WeakPolarHBondContact O-CB 3.32Å; G31-A35 PolarHBondContact O-N 3.48Å; G31-A35 VanDerWaalsContact O-N 3.11Å
32L90.6Very high85.6Confident29 Ų2978.5 Ų78.515%0.15242%0.415CS..Hα-helixtrans-64.7-45.4176.9-68.7171.4000111.5R28 I29 A35 F36 V54 Y56 I69R28-L32 HydrophobicContact CG-CD1 4.19Å; R28-L32 VanDerWaalsContact O-CG 3.26Å; R28-L32 WeakPolarHBondContact O-CG 3.36Å; R28-L32 PolarHBondContact O-N 3.48Å; I29-L32 PolarHBondContact O-N 3.36Å; L32-A35 PolarHBondContact O-N 2.92Å; L32-F36 PolarHBondContact O-N 2.89Å; L32-F36 VanDerWaalsContact O-N 3.13Å; L32-V54 HydrophobicContact CD2-CG2 3.93Å; L32-Y56 WeakPolarHBondContact CA-OH 3.38Å; L32-Y56 HydrophobicContact CB-CE1 4.3Å; L32-Y56 WeakPolarHBondContact CB-OH 3.41Å; L32-Y56 WeakPolarHBondContact CD2-OH 3.37Å; L32-Y56 PolarHBondContact O-OH 2.69Å; L32-I69 HydrophobicContact CB-CD1 4.03Å; L32-I69 HydrophobicContact CD1-CD1 4.27Å; L32-I69 HydrophobicContact CD1-CG2 4.43Å
33L90.9Very high83.7Confident2 Ų280 Ų801%0.0144%0.44CS..Hα-helixtrans-70.4-34.1179.7-67173.5000112.8A7 G13 A15 I29 E30 A35 F36 P37 I69A7-L33 HydrophobicContact CB-CD1 3.71Å; A7-L33 HydrophobicContact CB-CD2 3.78Å; A7-L33 HydrophobicContact CB-CG 4.43Å; G13-L33 WeakPolarHBondContact CA-O 3.3Å; G13-L33 CarbonylContact O-C 3.46Å; A15-L33 HydrophobicContact CB-CD1 3.57Å; I29-L33 HydrophobicContact CD1-CD1 4.07Å; I29-L33 HydrophobicContact CD1-CG 4.17Å; I29-L33 HydrophobicContact CG1-CD1 3.93Å; I29-L33 HydrophobicContact CG1-CG 4.42Å; I29-L33 WeakPolarHBondContact O-CG 3.3Å; I29-L33 PolarHBondContact O-N 3.48Å; E30-L33 PolarHBondContact O-N 3.17Å; L33-A35 VanDerWaalsContact C-N 3.33Å; L33-F36 WeakPolarHBondContact O-CB 3.26Å; L33-F36 PolarHBondContact O-N 3.38Å; L33-P37 VanDerWaalsContact O-CD 3.3Å; L33-P37 WeakPolarHBondContact O-CD 3.35Å; L33-I69 HydrophobicContact CD2-CD1 4.11Å; L33-I69 HydrophobicContact CG-CD1 4.46Å
34A89.1Confident82.1Confident54 Ų5477.2 Ų77.245%0.44643%0.425SS..Hα-helixtrans-70.6-28.2174.700000113E30E30-A34 VanDerWaalsContact O-CB 3.23Å; E30-A34 WeakPolarHBondContact O-CB 3.39Å; E30-A34 PolarHBondContact O-N 2.89Å
35A87.9Confident80.5Confident36 Ų3685.4 Ų85.430%0.29846%0.463SS..Hα-helixtrans-77.8-30.9175.400000112.5G31 L32 L33 K38 L39G31-A35 WeakPolarHBondContact O-CB 3.32Å; G31-A35 PolarHBondContact O-N 3.48Å; G31-A35 VanDerWaalsContact O-N 3.11Å; L32-A35 PolarHBondContact O-N 2.92Å; L33-A35 VanDerWaalsContact C-N 3.33Å; A35-K38 WeakPolarHBondContact O-CB 3.5Å; A35-K38 PolarHBondContact O-N 3.35Å; A35-L39 WeakPolarHBondContact O-CG 3.5Å
36F88.8Confident79.1Confident0 Ų085.7 Ų85.70%046%0.458CS..Hα-helixtrans-48.7-50.3-174.6164.8-105.2000114.9L32 L33 K38 L39 M40 Y56 Y58 Y65 V67L32-F36 PolarHBondContact O-N 2.89Å; L32-F36 VanDerWaalsContact O-N 3.13Å; L33-F36 WeakPolarHBondContact O-CB 3.26Å; L33-F36 PolarHBondContact O-N 3.38Å; F36-K38 PolarHBondContact O-N 3.01Å; F36-L39 WeakPolarHBondContact O-CB 3.4Å; F36-L39 PolarHBondContact O-N 3.44Å; F36-M40 HydrophobicContact CE1-CG 4.44Å; F36-M40 HydrophobicContact CE1-SD 3.69Å; F36-M40 HydrophobicContact CE2-CG 4Å; F36-M40 HydrophobicContact CE2-SD 4.03Å; F36-M40 HydrophobicContact CZ-CG 3.96Å; F36-M40 HydrophobicContact CZ-SD 3.36Å; F36-M40 WeakPolarHBondContact CZ-SD 3.44Å; F36-M40 PolarHBondContact O-N 2.94Å; F36-Y56 HydrophobicContact CB-CD1 4.32Å; F36-Y56 HydrophobicContact CB-CE1 4.23Å; F36-Y56 AromaticContact CD2-CD1 3.96Å; F36-Y56 HydrophobicContact CD2-CD1 3.96Å; F36-Y56 AromaticContact CD2-CG 3.99Å; F36-Y56 HydrophobicContact CD2-CG 3.99Å; F36-Y56 HydrophobicContact CG-CD1 4.49Å; F36-Y58 AromaticContact CE2-CD1 3.73Å; F36-Y58 HydrophobicContact CE2-CD1 3.73Å; F36-Y58 HydrophobicContact CE2-CD2 4.1Å; F36-Y58 HydrophobicContact CE2-CE1 4.28Å; F36-Y58 AromaticContact CE2-CG 3.64Å; F36-Y58 HydrophobicContact CE2-CG 3.64Å; F36-Y58 HydrophobicContact CZ-CD1 4.09Å; F36-Y58 AromaticContact CZ-CD2 3.6Å; F36-Y58 HydrophobicContact CZ-CD2 3.6Å; F36-Y58 HydrophobicContact CZ-CE2 4.18Å; F36-Y58 AromaticContact CZ-CG 3.53Å; F36-Y58 HydrophobicContact CZ-CG 3.53Å; F36-Y65 HydrophobicContact CE1-CD2 4.17Å; F36-Y65 HydrophobicContact CE1-CG 4.11Å; F36-V67 HydrophobicContact CD1-CG2 4.11Å; F36-V67 HydrophobicContact CD2-CG1 4.4Å; F36-V67 HydrophobicContact CE1-CG2 3.69Å; F36-V67 HydrophobicContact CE2-CG1 4.4Å; F36-V67 HydrophobicContact CE2-CG2 4.31Å; F36-V67 HydrophobicContact CZ-CG2 3.8Å
37P87.2Confident78.5Confident30 Ų3080.2 Ų80.220%0.19545%0.445CS..Hα-helixtrans-60.6-31.7-179-22.531.1000114G13 L33 L39 M40G13-P37 VanDerWaalsContact N-CG 3.28Å; L33-P37 VanDerWaalsContact O-CD 3.3Å; L33-P37 WeakPolarHBondContact O-CD 3.35Å; P37-L39 PolarHBondContact O-N 3.15Å; P37-M40 PolarHBondContact O-N 2.87Å
38K86.7Confident78.4Confident180 Ų18078 Ų7878%0.78343%0.426SS*.Hα-helixtrans-72.7-18.8179.5-57.8179.9-177.2177.70112.6A35 F36A35-K38 WeakPolarHBondContact O-CB 3.5Å; A35-K38 PolarHBondContact O-N 3.35Å; F36-K38 PolarHBondContact O-N 3.01Å
39L83.1Confident78.3Confident59 Ų5972.9 Ų72.931%0.30941%0.41SS..Hα-helixtrans-92.8-14.2-178.9-59.6169.9000112.1A35 F36 P37 N41 V49 T51 Y56A35-L39 WeakPolarHBondContact O-CG 3.5Å; F36-L39 WeakPolarHBondContact O-CB 3.4Å; F36-L39 PolarHBondContact O-N 3.44Å; P37-L39 PolarHBondContact O-N 3.15Å; L39-N41 PolarHBondContact O-N 3.49Å; L39-V49 HydrophobicContact CB-CG1 3.93Å; L39-T51 HydrophobicContact CD1-CG2 3.4Å; L39-T51 VanDerWaalsContact CD1-CG2 3.4Å; L39-T51 HydrophobicContact CD2-CG2 4.27Å; L39-T51 HydrophobicContact CG-CG2 4.46Å; L39-Y56 HydrophobicContact CD1-CD2 4.35Å; L39-Y56 HydrophobicContact CD1-CE2 3.84Å
40M79.3Confident78.1Confident41 Ų4176.9 Ų76.920%0.20243%0.428CS..  trans-77.4103.1172.8-59.3-167.2-39.100109.3F36 P37 T42 Y58 Y65F36-M40 HydrophobicContact CE1-CG 4.44Å; F36-M40 HydrophobicContact CE1-SD 3.69Å; F36-M40 HydrophobicContact CE2-CG 4Å; F36-M40 HydrophobicContact CE2-SD 4.03Å; F36-M40 HydrophobicContact CZ-CG 3.96Å; F36-M40 HydrophobicContact CZ-SD 3.36Å; F36-M40 WeakPolarHBondContact CZ-SD 3.44Å; F36-M40 PolarHBondContact O-N 2.94Å; P37-M40 PolarHBondContact O-N 2.87Å; M40-T42 PolarHBondContact O-N 2.66Å; M40-Y58 HydrophobicContact CG-CE2 4.35Å; M40-Y58 HydrophobicContact SD-CD2 4.14Å; M40-Y58 HydrophobicContact SD-CE2 3.64Å; M40-Y65 HydrophobicContact CE-CE1 4.46Å; M40-Y65 HydrophobicContact CE-CE2 3.79Å; M40-Y65 WeakPolarHBondContact CE-OH 3.42Å; M40-Y65 HydrophobicContact SD-CE1 4.19Å; M40-Y65 HydrophobicContact SD-CE2 4.27Å
41N63.1Low78Confident120 Ų12074.3 Ų74.364%0.64242%0.419SS*.  trans-74.1116.7172.3-78.1-16.8000109.8L39 G43 K44L39-N41 PolarHBondContact O-N 3.49Å; N41-G43 PolarHBondContact O-N 2.75Å; N41-K44 PolarHBondContact O-N 3.24Å
42T55.3Low77.6Confident154 Ų15479.5 Ų79.595%0.94544%0.437SS*.THydrogen-bonded Turntrans-57.9101.1167.734.20000109.4M40M40-T42 PolarHBondContact O-N 2.66Å
43G49.4Very low77.1Confident81 Ų8182.6 Ų82.684%0.83546%0.461SS*.THydrogen-bonded Turntrans137-9.9177.100000115.7N41N41-G43 PolarHBondContact O-N 2.75Å
44K52.8Low77.1Confident136 Ų13682.6 Ų82.659%0.59146%0.461SS*.  trans-117.7118.4172.1-63.5-170.6178.9-173.50110.6N41 H46N41-K44 PolarHBondContact O-N 3.24Å; K44-H46 PolarHBondContact O-N 2.94Å
45Q55Low77.2Confident203 Ų20381 Ų8195%0.94944%0.444SS*.  trans-75.158.6172.2-65.9-174.9-0.400111.2
46H61.5Low77.5Confident101 Ų10179.5 Ų79.547%0.46843%0.43SS..  trans-92.2122.9169.8-65.9-53.3000109.3K44 F48 Y58K44-H46 PolarHBondContact O-N 2.94Å; H46-F48 WeakPolarHBondContact CB-O 3.39Å; H46-F48 PolarHBondContact O-N 3.45Å; H46-F48 VanDerWaalsContact O-N 3.16Å; H46-Y58 WeakPolarHBondContact O-CE1 2.95Å; H46-Y58 VanDerWaalsContact O-CZ 3.23Å; H46-Y58 PolarHBondContact O-OH 3.2Å
47T76.4Confident77.7Confident73 Ų7379.5 Ų79.545%0.44843%0.43SS..SBendtrans-74.38174.150.80000113.3Y58T47-Y58 PolarHBondContact O-N 3.22Å
48F87.6Confident78Confident66 Ų6679.3 Ų79.329%0.28943%0.426SS..EExtended strand (participates in β ladder)trans-151.6154.3173.869.6-80.8000111.5H46 E50 R55 Y56 V57 I76H46-F48 WeakPolarHBondContact CB-O 3.39Å; H46-F48 PolarHBondContact O-N 3.45Å; H46-F48 VanDerWaalsContact O-N 3.16Å; F48-E50 HydrophobicContact CD2-CG 4.11Å; F48-E50 HydrophobicContact CE2-CG 4.24Å; F48-R55 HydrophobicContact CB-CG 4.44Å; F48-R55 HydrophobicContact CD2-CG 4.33Å; F48-Y56 CarbonylContact C-O 3.57Å; F48-Y56 WeakPolarHBondContact CA-O 3.49Å; F48-Y56 VanDerWaalsContact CB-O 3.26Å; F48-Y56 WeakPolarHBondContact CB-O 3.45Å; F48-V57 HydrophobicContact CB-CG1 4.48Å; F48-V57 HydrophobicContact CB-CG2 4.28Å; F48-I76 HydrophobicContact CB-CD1 4.27Å; F48-I76 HydrophobicContact CD1-CD1 3.47Å; F48-I76 VanDerWaalsContact CD1-CD1 3.47Å; F48-I76 HydrophobicContact CD2-CD1 3.67Å; F48-I76 HydrophobicContact CE1-CD1 3.53Å; F48-I76 HydrophobicContact CE2-CD1 3.73Å; F48-I76 HydrophobicContact CG-CD1 3.53Å; F48-I76 HydrophobicContact CZ-CD1 3.66Å
49V88.9Confident78.1Confident27 Ų2774 Ų7416%0.16440%0.404CS..EExtended strand (participates in β ladder)trans-131.4134172178.70000108.9L39 Y56 Y58L39-V49 HydrophobicContact CB-CG1 3.93Å; V49-Y56 PolarHBondContact N-O 3.31Å; V49-Y56 PolarHBondContact O-N 3.46Å; V49-Y58 HydrophobicContact CG2-CE1 3.94Å
50E87.9Confident78.4Confident93 Ų9375.2 Ų75.244%0.43542%0.415SS..EExtended strand (participates in β ladder)trans-103.7133.8175.8-66-171.7176.900110.9F48 R55F48-E50 HydrophobicContact CD2-CG 4.11Å; F48-E50 HydrophobicContact CE2-CG 4.24Å; E50-R55 HydrophobicContact CG-CB 4.2Å; E50-R55 HydrophobicContact CG-CG 3.9Å; E50-R55 IonicContact OE1-CZ 3.13Å; E50-R55 IonicContact OE1-NE 3.92Å; E50-R55 PolarHBondContact OE1-NE 2.92Å; E50-R55 IonicContact OE1-NH2 2.69Å; E50-R55 PolarHBondContact OE1-NH2 3.48Å
51T86.5Confident78.8Confident34 Ų3474 Ų7421%0.20941%0.409CS..  trans-109.6-177.8167.260.80000109.4L39 S53 V54 Y56 K72L39-T51 HydrophobicContact CD1-CG2 3.4Å; L39-T51 VanDerWaalsContact CD1-CG2 3.4Å; L39-T51 HydrophobicContact CD2-CG2 4.27Å; L39-T51 HydrophobicContact CG-CG2 4.46Å; T51-S53 VanDerWaalsContact C-N 3.26Å; T51-S53 PolarHBondContact O-N 2.9Å; T51-V54 PolarHBondContact N-O 2.88Å; T51-V54 WeakPolarHBondContact OG1-CG2 3.4Å; T51-V54 PolarHBondContact OG1-N 2.94Å; T51-V54 PolarHBondContact OG1-O 3.4Å; T51-Y56 HydrophobicContact CG2-CD2 4.31Å; T51-Y56 HydrophobicContact CG2-CE2 3.73Å; T51-K72 WeakPolarHBondContact O-CE 3.44Å; T51-K72 PolarHBondContact O-NZ 3.27Å
52D81.4Confident79.8Confident150 Ų15073.3 Ų73.380%0.80240%0.402SS*.SBendtrans-61.9-33.3178.2-67.9-26.7000113.5K72D52-K72 VanDerWaalsContact C-NZ 3.33Å; D52-K72 WeakPolarHBondContact O-CE 3.42Å; D52-K72 PolarHBondContact O-NZ 3.34Å
53S80.3Confident81.3Confident95 Ų9571.6 Ų71.666%0.66438%0.382SS*.SBendtrans-109.3-29.7-171.3-52.20000115.1T51T51-S53 VanDerWaalsContact C-N 3.26Å; T51-S53 PolarHBondContact O-N 2.9Å
54V90.8Very high83.2Confident1 Ų168 Ų681%0.00634%0.343CS..  trans-141.7157-175.9-61.60000111.9L4 L32 T51 Y56 I69L4-V54 HydrophobicContact CD1-CG1 3.92Å; L32-V54 HydrophobicContact CD2-CG2 3.93Å; T51-V54 PolarHBondContact N-O 2.88Å; T51-V54 WeakPolarHBondContact OG1-CG2 3.4Å; T51-V54 PolarHBondContact OG1-N 2.94Å; T51-V54 PolarHBondContact OG1-O 3.4Å; V54-Y56 HydrophobicContact CG2-CD2 4.35Å; V54-Y56 HydrophobicContact CG2-CE1 4.45Å; V54-Y56 HydrophobicContact CG2-CE2 3.64Å; V54-I69 HydrophobicContact CB-CG2 3.87Å; V54-I69 HydrophobicContact CG1-CG2 4.04Å; V54-I69 HydrophobicContact CG2-CG2 4.07Å
55R92.2Very high85.1Confident22 Ų2263.1 Ų63.18%0.08332%0.321CS..EExtended strand (participates in β ladder)trans-104.6131.3168.6-179.8-175.5-66.3142.61.3108.5F48 E50 V57 T70 K72 S74F48-R55 HydrophobicContact CB-CG 4.44Å; F48-R55 HydrophobicContact CD2-CG 4.33Å; E50-R55 HydrophobicContact CG-CB 4.2Å; E50-R55 HydrophobicContact CG-CG 3.9Å; E50-R55 IonicContact OE1-CZ 3.13Å; E50-R55 IonicContact OE1-NE 3.92Å; E50-R55 PolarHBondContact OE1-NE 2.92Å; E50-R55 IonicContact OE1-NH2 2.69Å; E50-R55 PolarHBondContact OE1-NH2 3.48Å; R55-V57 HydrophobicContact CG-CG2 4.12Å; R55-T70 PolarHBondContact N-O 3.31Å; R55-T70 PolarHBondContact O-N 3.28Å; R55-K72 PolarHBondContact NH1-O 3.46Å; R55-K72 PolarHBondContact NH2-O 3.42Å; R55-S74 PolarHBondContact NH1-O 3.21Å
56Y92.8Very high87Confident3 Ų353.4 Ų53.41%0.01228%0.276CS..EExtended strand (participates in β ladder)trans-97.2124.2169.1-60-89.9000107.8L32 F36 L39 F48 V49 T51 V54 V67 L68 I69L32-Y56 WeakPolarHBondContact CA-OH 3.38Å; L32-Y56 HydrophobicContact CB-CE1 4.3Å; L32-Y56 WeakPolarHBondContact CB-OH 3.41Å; L32-Y56 WeakPolarHBondContact CD2-OH 3.37Å; L32-Y56 PolarHBondContact O-OH 2.69Å; F36-Y56 HydrophobicContact CB-CD1 4.32Å; F36-Y56 HydrophobicContact CB-CE1 4.23Å; F36-Y56 AromaticContact CD2-CD1 3.96Å; F36-Y56 HydrophobicContact CD2-CD1 3.96Å; F36-Y56 AromaticContact CD2-CG 3.99Å; F36-Y56 HydrophobicContact CD2-CG 3.99Å; F36-Y56 HydrophobicContact CG-CD1 4.49Å; L39-Y56 HydrophobicContact CD1-CD2 4.35Å; L39-Y56 HydrophobicContact CD1-CE2 3.84Å; F48-Y56 CarbonylContact C-O 3.57Å; F48-Y56 WeakPolarHBondContact CA-O 3.49Å; F48-Y56 VanDerWaalsContact CB-O 3.26Å; F48-Y56 WeakPolarHBondContact CB-O 3.45Å; V49-Y56 PolarHBondContact N-O 3.31Å; V49-Y56 PolarHBondContact O-N 3.46Å; T51-Y56 HydrophobicContact CG2-CD2 4.31Å; T51-Y56 HydrophobicContact CG2-CE2 3.73Å; V54-Y56 HydrophobicContact CG2-CD2 4.35Å; V54-Y56 HydrophobicContact CG2-CE1 4.45Å; V54-Y56 HydrophobicContact CG2-CE2 3.64Å; Y56-V67 HydrophobicContact CD1-CG1 3.95Å; Y56-L68 CarbonylContact C-O 3.53Å; Y56-L68 WeakPolarHBondContact CA-O 3.48Å; Y56-I69 HydrophobicContact CD1-CD1 4.42Å; Y56-I69 HydrophobicContact CD1-CG1 3.93Å; Y56-I69 HydrophobicContact CE1-CD1 3.98Å; Y56-I69 HydrophobicContact CE1-CG1 3.97Å
57V93.3Very high88.5Confident0 Ų048.6 Ų48.60%025%0.254CS..EExtended strand (participates in β ladder)trans-112.5124.1170.9-167.30000106.1F48 R55 L68 D79 L80 L83F48-V57 HydrophobicContact CB-CG1 4.48Å; F48-V57 HydrophobicContact CB-CG2 4.28Å; R55-V57 HydrophobicContact CG-CG2 4.12Å; V57-L68 HydrophobicContact CB-CB 4.37Å; V57-L68 PolarHBondContact N-O 2.96Å; V57-L68 PolarHBondContact O-N 3.48Å; V57-D79 HydrophobicContact CG2-CB 4.06Å; V57-L80 HydrophobicContact CG1-CD2 3.49Å; V57-L80 VanDerWaalsContact CG1-CD2 3.49Å; V57-L80 HydrophobicContact CG1-CG 3.95Å; V57-L83 HydrophobicContact CG1-CD2 3.8Å
58Y92.9Very high89.4Confident26 Ų2645.1 Ų45.110%0.10223%0.232CC..EExtended strand (participates in β ladder)trans-144.4151.7-167.669.8-77.1000113F36 M40 H46 T47 V49 Y65 M66 L83F36-Y58 AromaticContact CE2-CD1 3.73Å; F36-Y58 HydrophobicContact CE2-CD1 3.73Å; F36-Y58 HydrophobicContact CE2-CD2 4.1Å; F36-Y58 HydrophobicContact CE2-CE1 4.28Å; F36-Y58 AromaticContact CE2-CG 3.64Å; F36-Y58 HydrophobicContact CE2-CG 3.64Å; F36-Y58 HydrophobicContact CZ-CD1 4.09Å; F36-Y58 AromaticContact CZ-CD2 3.6Å; F36-Y58 HydrophobicContact CZ-CD2 3.6Å; F36-Y58 HydrophobicContact CZ-CE2 4.18Å; F36-Y58 AromaticContact CZ-CG 3.53Å; F36-Y58 HydrophobicContact CZ-CG 3.53Å; M40-Y58 HydrophobicContact CG-CE2 4.35Å; M40-Y58 HydrophobicContact SD-CD2 4.14Å; M40-Y58 HydrophobicContact SD-CE2 3.64Å; H46-Y58 WeakPolarHBondContact O-CE1 2.95Å; H46-Y58 VanDerWaalsContact O-CZ 3.23Å; H46-Y58 PolarHBondContact O-OH 3.2Å; T47-Y58 PolarHBondContact O-N 3.22Å; V49-Y58 HydrophobicContact CG2-CE1 3.94Å; Y58-Y65 HydrophobicContact CD2-CD1 4.07Å; Y58-Y65 HydrophobicContact CD2-CE1 4.25Å; Y58-Y65 HydrophobicContact CE2-CE1 4.43Å; Y58-M66 CarbonylContact C-O 3.46Å; Y58-M66 WeakPolarHBondContact CA-O 3.3Å; Y58-M66 WeakPolarHBondContact CB-O 3.32Å; Y58-L83 VanDerWaalsContact C-CD2 3.47Å
59Q90.4Very high89.7Confident70 Ų7042 Ų4233%0.32722%0.219SC..EExtended strand (participates in β ladder)trans-135.4130.4177.6179.5172.3-16.800108.9M66 L83 S87Q59-M66 PolarHBondContact N-O 3.23Å; Q59-M66 PolarHBondContact O-N 3.41Å; Q59-L83 HydrophobicContact CB-CD1 4.32Å; Q59-L83 HydrophobicContact CB-CD2 3.87Å; Q59-L83 HydrophobicContact CB-CG 4.11Å; Q59-S87 PolarHBondContact OE1-OG 2.79Å
60P88.9Confident90Very high83 Ų8340.8 Ų40.854%0.53921%0.211SC..EExtended strand (participates in β ladder)trans-62.3133.9170.6-14.525.7000111.3Y65P60-Y65 HydrophobicContact CB-CD1 4.26Å; P60-Y65 HydrophobicContact CB-CE1 3.95Å; P60-Y65 HydrophobicContact CG-CD1 4.44Å; P60-Y65 HydrophobicContact CG-CE1 3.95Å
61L87Confident90.2Very high16 Ų1638.2 Ų38.28%0.08420%0.202CC..EExtended strand (participates in β ladder)trans-122.781.6171.6-73.7-180000108.2K63 L64 M66 I90 L97L61-K63 PolarHBondContact O-N 3.02Å; L61-L64 CarbonylContact C-O 3.48Å; L61-L64 HydrophobicContact CB-CB 4.43Å; L61-L64 PolarHBondContact N-O 2.93Å; L61-L64 WeakPolarHBondContact O-CA 3.36Å; L61-L64 WeakPolarHBondContact O-CB 3.32Å; L61-L64 PolarHBondContact O-N 3.41Å; L61-M66 HydrophobicContact CD1-CB 3.71Å; L61-M66 HydrophobicContact CG-CB 4.2Å; L61-I90 HydrophobicContact CD1-CD1 3.53Å; L61-L97 HydrophobicContact CB-CD1 4.43Å; L61-L97 HydrophobicContact CD2-CD1 4.44Å
62E84.7Confident90.2Very high106 Ų10640.4 Ų40.450%0.49521%0.209SC..THydrogen-bonded Turntrans53.1-106.3-174.4-58.9-173.6-172.800114L64 L97E62-L64 VanDerWaalsContact C-N 3.32Å; E62-L97 HydrophobicContact CG-CB 4.47Å; E62-L97 HydrophobicContact CG-CD1 4.15Å
63K85.7Confident90.4Very high118 Ų11840.6 Ų40.651%0.51321%0.209SC..THydrogen-bonded Turntrans-86.1-3.8178-64.2177.7-172.2165.50112.8K11 L61 E98K11-K63 WeakPolarHBondContact CG-O 3.44Å; L61-K63 PolarHBondContact O-N 3.02Å; K63-E98 IonicContact NZ-OE1 3.58Å; K63-E98 PolarHBondContact NZ-OE1 3.14Å
64L91.2Very high90.8Very high6 Ų636.3 Ų36.33%0.03118%0.18CC..EExtended strand (participates in β ladder)trans-121.2172-174.3-55.2-180000111V8 C9 T10 I16 L61 E62 I102V8-L64 HydrophobicContact CG1-CB 4.18Å; V8-L64 HydrophobicContact CG1-CD1 4.03Å; C9-L64 CarbonylContact O-C 3.5Å; C9-L64 WeakPolarHBondContact O-CA 3.29Å; T10-L64 HydrophobicContact CG2-CD2 4.04Å; I16-L64 HydrophobicContact CD1-CD1 3.9Å; I16-L64 HydrophobicContact CD1-CD2 3.41Å; I16-L64 VanDerWaalsContact CD1-CD2 3.41Å; I16-L64 HydrophobicContact CD1-CG 4.29Å; L61-L64 CarbonylContact C-O 3.48Å; L61-L64 HydrophobicContact CB-CB 4.43Å; L61-L64 PolarHBondContact N-O 2.93Å; L61-L64 WeakPolarHBondContact O-CA 3.36Å; L61-L64 WeakPolarHBondContact O-CB 3.32Å; L61-L64 PolarHBondContact O-N 3.41Å; E62-L64 VanDerWaalsContact C-N 3.32Å; L64-I102 HydrophobicContact CD1-CD1 3.29Å; L64-I102 HydrophobicContact CD1-CG1 4.36Å
65Y92.1Very high90.7Very high32 Ų3240.2 Ų40.213%0.12520%0.2CC..EExtended strand (participates in β ladder)trans-125.6133.6172.4-74.5-71.1000109.5V8 C9 K11 F36 M40 Y58 P60V8-Y65 WeakPolarHBondContact CA-O 3.49Å; C9-Y65 PolarHBondContact N-O 3.32Å; C9-Y65 PolarHBondContact O-N 2.91Å; K11-Y65 HydrophobicContact CB-CE2 4Å; K11-Y65 HydrophobicContact CD-CE2 4.47Å; K11-Y65 HydrophobicContact CG-CD2 4.25Å; K11-Y65 HydrophobicContact CG-CE2 3.67Å; F36-Y65 HydrophobicContact CE1-CD2 4.17Å; F36-Y65 HydrophobicContact CE1-CG 4.11Å; M40-Y65 HydrophobicContact CE-CE1 4.46Å; M40-Y65 HydrophobicContact CE-CE2 3.79Å; M40-Y65 WeakPolarHBondContact CE-OH 3.42Å; M40-Y65 HydrophobicContact SD-CE1 4.19Å; M40-Y65 HydrophobicContact SD-CE2 4.27Å; Y58-Y65 HydrophobicContact CD2-CD1 4.07Å; Y58-Y65 HydrophobicContact CD2-CE1 4.25Å; Y58-Y65 HydrophobicContact CE2-CE1 4.43Å; P60-Y65 HydrophobicContact CB-CD1 4.26Å; P60-Y65 HydrophobicContact CB-CE1 3.95Å; P60-Y65 HydrophobicContact CG-CD1 4.44Å; P60-Y65 HydrophobicContact CG-CE1 3.95Å
66M93.9Very high90.5Very high0 Ų041.1 Ų41.10%021%0.207CC..EExtended strand (participates in β ladder)trans-89125159.7-172.757.9-16600108.6A6 A7 V8 Y58 Q59 L61 L68 L83 F86 I90 F113A6-M66 HydrophobicContact CB-CE 3.77Å; A7-M66 VanDerWaalsContact O-SD 3.4Å; V8-M66 HydrophobicContact CG2-SD 3.66Å; Y58-M66 CarbonylContact C-O 3.46Å; Y58-M66 WeakPolarHBondContact CA-O 3.3Å; Y58-M66 WeakPolarHBondContact CB-O 3.32Å; Q59-M66 PolarHBondContact N-O 3.23Å; Q59-M66 PolarHBondContact O-N 3.41Å; L61-M66 HydrophobicContact CD1-CB 3.71Å; L61-M66 HydrophobicContact CG-CB 4.2Å; M66-L68 HydrophobicContact CE-CD2 4.06Å; M66-L83 HydrophobicContact CB-CD1 4Å; M66-L83 HydrophobicContact CG-CD1 3.56Å; M66-F86 HydrophobicContact CE-CB 3.7Å; M66-F86 HydrophobicContact CE-CD1 3.5Å; M66-F86 VanDerWaalsContact CE-CD1 3.5Å; M66-F86 HydrophobicContact CE-CE1 4.28Å; M66-F86 HydrophobicContact CE-CG 3.74Å; M66-F86 HydrophobicContact CG-CB 4.3Å; M66-I90 HydrophobicContact SD-CD1 3.94Å; M66-F113 HydrophobicContact CE-CE2 4.46Å; M66-F113 HydrophobicContact CE-CZ 4.26Å
67V94.4Very high90.3Very high0 Ų047 Ų470%024%0.238CC..EExtended strand (participates in β ladder)trans-128.8125.1-175.6-173.50000109.6A6 A7 F36 Y56 I69A6-V67 CarbonylContact C-O 3.54Å; A6-V67 WeakPolarHBondContact CA-O 3.4Å; A7-V67 PolarHBondContact N-O 3.33Å; A7-V67 PolarHBondContact O-N 2.97Å; F36-V67 HydrophobicContact CD1-CG2 4.11Å; F36-V67 HydrophobicContact CD2-CG1 4.4Å; F36-V67 HydrophobicContact CE1-CG2 3.69Å; F36-V67 HydrophobicContact CE2-CG1 4.4Å; F36-V67 HydrophobicContact CE2-CG2 4.31Å; F36-V67 HydrophobicContact CZ-CG2 3.8Å; Y56-V67 HydrophobicContact CD1-CG1 3.95Å; V67-I69 HydrophobicContact CG1-CG1 4.42Å
68L95Very high90.2Very high0 Ų049.9 Ų49.90%025%0.251CS..EExtended strand (participates in β ladder)trans-100.8133.4164.3-57.9-175.5000109.2L3 A5 A6 Y56 V57 M66 T70 D79 T82 L83 F86L3-L68 HydrophobicContact CD1-CD1 3.84Å; L3-L68 HydrophobicContact CD1-CD2 4.27Å; L3-L68 HydrophobicContact CD1-CG 4.47Å; A5-L68 WeakPolarHBondContact O-CA 3.43Å; A6-L68 HydrophobicContact CB-CD2 3.51Å; Y56-L68 CarbonylContact C-O 3.53Å; Y56-L68 WeakPolarHBondContact CA-O 3.48Å; V57-L68 HydrophobicContact CB-CB 4.37Å; V57-L68 PolarHBondContact N-O 2.96Å; V57-L68 PolarHBondContact O-N 3.48Å; M66-L68 HydrophobicContact CE-CD2 4.06Å; L68-T70 HydrophobicContact CB-CG2 4.37Å; L68-D79 WeakPolarHBondContact CD1-O 3.35Å; L68-T82 HydrophobicContact CD1-CG2 4.15Å; L68-L83 HydrophobicContact CD1-CB 3.66Å; L68-L83 HydrophobicContact CD1-CD1 4.37Å; L68-L83 HydrophobicContact CG-CB 4.19Å; L68-L83 HydrophobicContact CG-CD1 3.95Å; L68-F86 HydrophobicContact CD2-CD2 3.97Å; L68-F86 HydrophobicContact CD2-CE2 4.11Å; L68-F86 HydrophobicContact CD2-CG 4.36Å
69I94.4Very high90.1Very high1 Ų148.6 Ų48.61%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-105.5116.6173-53.9-179.9000107.1L4 A5 I29 L32 L33 V54 Y56 V67L4-I69 WeakPolarHBondContact CA-O 3.36Å; L4-I69 HydrophobicContact CB-CG2 4.49Å; L4-I69 VanDerWaalsContact CB-O 3.31Å; L4-I69 WeakPolarHBondContact CB-O 3.43Å; L4-I69 HydrophobicContact CD1-CG2 4.25Å; L4-I69 PolarHBondContact N-O 2.88Å; A5-I69 PolarHBondContact N-O 3.45Å; A5-I69 PolarHBondContact O-N 3.34Å; I29-I69 HydrophobicContact CD1-CD1 3.51Å; L32-I69 HydrophobicContact CB-CD1 4.03Å; L32-I69 HydrophobicContact CD1-CD1 4.27Å; L32-I69 HydrophobicContact CD1-CG2 4.43Å; L33-I69 HydrophobicContact CD2-CD1 4.11Å; L33-I69 HydrophobicContact CG-CD1 4.46Å; V54-I69 HydrophobicContact CB-CG2 3.87Å; V54-I69 HydrophobicContact CG1-CG2 4.04Å; V54-I69 HydrophobicContact CG2-CG2 4.07Å; Y56-I69 HydrophobicContact CD1-CD1 4.42Å; Y56-I69 HydrophobicContact CD1-CG1 3.93Å; Y56-I69 HydrophobicContact CE1-CD1 3.98Å; Y56-I69 HydrophobicContact CE1-CG1 3.97Å; V67-I69 HydrophobicContact CG1-CG1 4.42Å
70T94.2Very high90.2Very high0 Ų046.8 Ų46.80%024%0.238CC..EExtended strand (participates in β ladder)trans-125.2167.4-178.474.20000111.3L3 R55 L68 D79L3-T70 HydrophobicContact CB-CG2 4.32Å; L3-T70 HydrophobicContact CG-CG2 4.04Å; R55-T70 PolarHBondContact N-O 3.31Å; R55-T70 PolarHBondContact O-N 3.28Å; L68-T70 HydrophobicContact CB-CG2 4.37Å; T70-D79 WeakPolarHBondContact CB-OD2 3.28Å; T70-D79 HydrophobicContact CG2-CB 4.36Å; T70-D79 WeakPolarHBondContact CG2-OD2 3.43Å; T70-D79 PolarHBondContact OG1-OD2 3.44Å
71T91.4Very high90.3Very high40 Ų4047.5 Ų47.525%0.24523%0.234CC..  trans-80.6153.1171.1600000110.4V2 L4 N73 S74V2-T71 HydrophobicContact CB-CG2 4.43Å; V2-T71 PolarHBondContact O-N 3.07Å; L4-T71 HydrophobicContact CD1-CG2 4.15Å; L4-T71 HydrophobicContact CD2-CG2 4.01Å; L4-T71 HydrophobicContact CG-CG2 4.2Å; T71-N73 PolarHBondContact O-N 3.22Å; T71-N73 VanDerWaalsContact O-N 3.12Å; T71-S74 VanDerWaalsContact O-CB 3.24Å; T71-S74 WeakPolarHBondContact O-CB 3.28Å; T71-S74 PolarHBondContact O-N 3.39Å
72K87.9Confident90.5Very high80 Ų8046.7 Ų46.735%0.34823%0.23SC..THydrogen-bonded Turntrans-57-28.9177.8-69.7-177.6170.3176.20114T51 D52 R55 S74T51-K72 WeakPolarHBondContact O-CE 3.44Å; T51-K72 PolarHBondContact O-NZ 3.27Å; D52-K72 VanDerWaalsContact C-NZ 3.33Å; D52-K72 WeakPolarHBondContact O-CE 3.42Å; D52-K72 PolarHBondContact O-NZ 3.34Å; R55-K72 PolarHBondContact NH1-O 3.46Å; R55-K72 PolarHBondContact NH2-O 3.42Å; K72-S74 PolarHBondContact O-N 3.13Å
73N85.6Confident90.9Very high153 Ų15341.8 Ų41.882%0.81821%0.208SC*.THydrogen-bonded Turntrans-82.90.3-179.8-59.9-8.9000112.6T71T71-N73 PolarHBondContact O-N 3.22Å; T71-N73 VanDerWaalsContact O-N 3.12Å
74S87.9Confident91.2Very high6 Ų643.1 Ų43.14%0.04221%0.209CC..SBendtrans-73.1149.5174.4-159.50000111.4R55 T71 K72 I76 D79R55-S74 PolarHBondContact NH1-O 3.21Å; T71-S74 VanDerWaalsContact O-CB 3.24Å; T71-S74 WeakPolarHBondContact O-CB 3.28Å; T71-S74 PolarHBondContact O-N 3.39Å; K72-S74 PolarHBondContact O-N 3.13Å; S74-I76 PolarHBondContact O-N 3.4Å; S74-D79 VanDerWaalsContact CB-OD2 3.22Å; S74-D79 WeakPolarHBondContact CB-OD2 3.43Å; S74-D79 PolarHBondContact OG-OD1 2.98Å; S74-D79 PolarHBondContact OG-OD2 3.4Å; S74-D79 VanDerWaalsContact OG-OD2 3.14Å
75N88.9Confident91.3Very high82 Ų8243.8 Ų43.844%0.43921%0.213SC..  trans-73.8108.5175.4-179-7.7000109.1L77 E78 D79N75-L77 VanDerWaalsContact C-N 3.28Å; N75-L77 PolarHBondContact O-N 3.41Å; N75-L77 PolarHBondContact OD1-N 3.37Å; N75-L77 VanDerWaalsContact OD1-N 3.11Å; N75-E78 HydrophobicContact CB-CB 4.01Å; N75-E78 PolarHBondContact O-N 3.01Å; N75-D79 VanDerWaalsContact O-CG 3.27Å; N75-D79 PolarHBondContact O-N 3.2Å
76I88.9Confident91.4Very high42 Ų4242.3 Ų42.322%0.21521%0.207CC..Hα-helixtrans-62.9-32.5-175.6-167.6165.4000113.8F48 S74 E78 D79 L80F48-I76 HydrophobicContact CB-CD1 4.27Å; F48-I76 HydrophobicContact CD1-CD1 3.47Å; F48-I76 VanDerWaalsContact CD1-CD1 3.47Å; F48-I76 HydrophobicContact CD2-CD1 3.67Å; F48-I76 HydrophobicContact CE1-CD1 3.53Å; F48-I76 HydrophobicContact CE2-CD1 3.73Å; F48-I76 HydrophobicContact CG-CD1 3.53Å; F48-I76 HydrophobicContact CZ-CD1 3.66Å; S74-I76 PolarHBondContact O-N 3.4Å; I76-E78 VanDerWaalsContact C-N 3.32Å; I76-D79 PolarHBondContact O-N 3.38Å; I76-L80 HydrophobicContact CG1-CD1 4.32Å; I76-L80 WeakPolarHBondContact O-CB 3.4Å; I76-L80 VanDerWaalsContact O-CG 3.31Å; I76-L80 WeakPolarHBondContact O-CG 3.31Å; I76-L80 PolarHBondContact O-N 2.87Å
77L88.8Confident91.3Very high126 Ų12642.7 Ų42.766%0.6621%0.21SC*.Hα-helixtrans-67.6-39.7178.7-65.3175.8000110.7N75 L80 E81N75-L77 VanDerWaalsContact C-N 3.28Å; N75-L77 PolarHBondContact O-N 3.41Å; N75-L77 PolarHBondContact OD1-N 3.37Å; N75-L77 VanDerWaalsContact OD1-N 3.11Å; L77-L80 PolarHBondContact O-N 3.3Å; L77-E81 PolarHBondContact O-N 2.99Å
78E89.8Confident91.2Very high60 Ų6050.3 Ų50.328%0.2824%0.239SC..Hα-helixtrans-71.8-39.6177.3-163.5177.7-172.500111.5M1 N75 I76 L80 E81 T82M1-E78 HydrophobicContact CE-CB 4.01Å; M1-E78 HydrophobicContact CE-CG 3.38Å; M1-E78 WeakPolarHBondContact CE-OE1 3.34Å; M1-E78 VanDerWaalsContact CE-OE2 3.25Å; M1-E78 WeakPolarHBondContact CE-OE2 3.27Å; M1-E78 VanDerWaalsContact SD-CD 3.53Å; M1-E78 HydrophobicContact SD-CG 4.49Å; N75-E78 HydrophobicContact CB-CB 4.01Å; N75-E78 PolarHBondContact O-N 3.01Å; I76-E78 VanDerWaalsContact C-N 3.32Å; E78-L80 VanDerWaalsContact C-N 3.33Å; E78-L80 PolarHBondContact O-N 3.43Å; E78-E81 PolarHBondContact O-N 2.88Å; E78-T82 WeakPolarHBondContact O-CB 3.39Å; E78-T82 PolarHBondContact O-N 2.62Å; E78-T82 PolarHBondContact O-OG1 3.49Å
79D92.2Very high91Very high0 Ų050.4 Ų50.40%024%0.239CC..Hα-helixtrans-61.3-41.2173.5-65.7-15.5000111.1V57 L68 T70 S74 N75 I76 T82 L83V57-D79 HydrophobicContact CG2-CB 4.06Å; L68-D79 WeakPolarHBondContact CD1-O 3.35Å; T70-D79 WeakPolarHBondContact CB-OD2 3.28Å; T70-D79 HydrophobicContact CG2-CB 4.36Å; T70-D79 WeakPolarHBondContact CG2-OD2 3.43Å; T70-D79 PolarHBondContact OG1-OD2 3.44Å; S74-D79 VanDerWaalsContact CB-OD2 3.22Å; S74-D79 WeakPolarHBondContact CB-OD2 3.43Å; S74-D79 PolarHBondContact OG-OD1 2.98Å; S74-D79 PolarHBondContact OG-OD2 3.4Å; S74-D79 VanDerWaalsContact OG-OD2 3.14Å; N75-D79 VanDerWaalsContact O-CG 3.27Å; N75-D79 PolarHBondContact O-N 3.2Å; I76-D79 PolarHBondContact O-N 3.38Å; D79-T82 WeakPolarHBondContact O-CB 3.41Å; D79-T82 PolarHBondContact O-N 2.77Å; D79-L83 WeakPolarHBondContact O-CB 3.08Å; D79-L83 PolarHBondContact O-N 3.13Å
80L91.1Very high90.9Very high31 Ų3150.3 Ų50.316%0.16224%0.239CC..Hα-helixtrans-66.8-40176.6-79.3168.8000112.5V57 I76 L77 E78 L83 R84V57-L80 HydrophobicContact CG1-CD2 3.49Å; V57-L80 VanDerWaalsContact CG1-CD2 3.49Å; V57-L80 HydrophobicContact CG1-CG 3.95Å; I76-L80 HydrophobicContact CG1-CD1 4.32Å; I76-L80 WeakPolarHBondContact O-CB 3.4Å; I76-L80 VanDerWaalsContact O-CG 3.31Å; I76-L80 WeakPolarHBondContact O-CG 3.31Å; I76-L80 PolarHBondContact O-N 2.87Å; L77-L80 PolarHBondContact O-N 3.3Å; E78-L80 VanDerWaalsContact C-N 3.33Å; E78-L80 PolarHBondContact O-N 3.43Å; L80-L83 PolarHBondContact O-N 3.41Å; L80-R84 WeakPolarHBondContact O-CG 3.34Å; L80-R84 PolarHBondContact O-N 3.33Å; L80-R84 VanDerWaalsContact O-N 3.08Å
81E90.6Very high90.7Very high98 Ų9853.5 Ų53.546%0.45826%0.259SS..Hα-helixtrans-67.2-39.9175.3-165.1-169.6161.900111.4L77 E78 R84 L85 R122L77-E81 PolarHBondContact O-N 2.99Å; E78-E81 PolarHBondContact O-N 2.88Å; E81-R84 WeakPolarHBondContact O-CB 3.27Å; E81-R84 PolarHBondContact O-N 3.3Å; E81-L85 PolarHBondContact O-N 3.44Å; E81-L85 VanDerWaalsContact O-N 3.12Å; E81-R122 IonicContact OE1-CZ 3.38Å; E81-R122 IonicContact OE1-NH1 2.89Å; E81-R122 IonicContact OE1-NH2 2.81Å; E81-R122 PolarHBondContact OE1-NH2 3.04Å; E81-R122 IonicContact OE2-CZ 3.94Å; E81-R122 IonicContact OE2-NH1 3.32Å; E81-R122 PolarHBondContact OE2-NH1 3.14Å; E81-R122 IonicContact OE2-NH2 3.26Å
82T92.4Very high90.6Very high0 Ų055.6 Ų55.60%027%0.266CS..Hα-helixtrans-60.1-48.2173.1-55.40000110.6L3 L68 E78 D79 R84 L85 F86 I116 V117 R122L3-T82 HydrophobicContact CD1-CG2 3.84Å; L68-T82 HydrophobicContact CD1-CG2 4.15Å; E78-T82 WeakPolarHBondContact O-CB 3.39Å; E78-T82 PolarHBondContact O-N 2.62Å; E78-T82 PolarHBondContact O-OG1 3.49Å; D79-T82 WeakPolarHBondContact O-CB 3.41Å; D79-T82 PolarHBondContact O-N 2.77Å; T82-R84 VanDerWaalsContact C-N 3.28Å; T82-R84 PolarHBondContact O-N 3.27Å; T82-L85 WeakPolarHBondContact O-CA 3.46Å; T82-L85 WeakPolarHBondContact O-CB 3.31Å; T82-L85 PolarHBondContact O-N 3.46Å; T82-F86 HydrophobicContact CG2-CD2 3.75Å; T82-F86 HydrophobicContact CG2-CE2 3.53Å; T82-F86 VanDerWaalsContact O-CD2 3.31Å; T82-F86 WeakPolarHBondContact O-CD2 3.42Å; T82-F86 PolarHBondContact O-N 3.35Å; T82-I116 HydrophobicContact CG2-CG2 4.2Å; T82-V117 HydrophobicContact CG2-CG2 4.14Å; T82-R122 VanDerWaalsContact OG1-CD 3.27Å; T82-R122 WeakPolarHBondContact OG1-CD 3.11Å
83L93.4Very high90.5Very high3 Ų354.4 Ų54.42%0.01626%0.26CS..Hα-helixtrans-56.6-40.4176.8175.166.1000112.5V57 Y58 Q59 M66 L68 D79 L80 L85 F86 S87V57-L83 HydrophobicContact CG1-CD2 3.8Å; Y58-L83 VanDerWaalsContact C-CD2 3.47Å; Q59-L83 HydrophobicContact CB-CD1 4.32Å; Q59-L83 HydrophobicContact CB-CD2 3.87Å; Q59-L83 HydrophobicContact CB-CG 4.11Å; M66-L83 HydrophobicContact CB-CD1 4Å; M66-L83 HydrophobicContact CG-CD1 3.56Å; L68-L83 HydrophobicContact CD1-CB 3.66Å; L68-L83 HydrophobicContact CD1-CD1 4.37Å; L68-L83 HydrophobicContact CG-CB 4.19Å; L68-L83 HydrophobicContact CG-CD1 3.95Å; D79-L83 WeakPolarHBondContact O-CB 3.08Å; D79-L83 PolarHBondContact O-N 3.13Å; L80-L83 PolarHBondContact O-N 3.41Å; L83-L85 VanDerWaalsContact C-N 3.32Å; L83-L85 PolarHBondContact O-N 3.2Å; L83-F86 PolarHBondContact O-N 3.34Å; L83-S87 WeakPolarHBondContact O-CB 3.44Å; L83-S87 PolarHBondContact O-N 3.09Å; L83-S87 PolarHBondContact O-OG 3Å
84R91.8Very high90.6Very high145 Ų14547.2 Ų47.255%0.54722%0.221SC..Hα-helixtrans-64.1-37.9175.8-73.5171178.7158.8-1.4111.7L80 E81 T82 S87 R88L80-R84 WeakPolarHBondContact O-CG 3.34Å; L80-R84 PolarHBondContact O-N 3.33Å; L80-R84 VanDerWaalsContact O-N 3.08Å; E81-R84 WeakPolarHBondContact O-CB 3.27Å; E81-R84 PolarHBondContact O-N 3.3Å; T82-R84 VanDerWaalsContact C-N 3.28Å; T82-R84 PolarHBondContact O-N 3.27Å; R84-S87 PolarHBondContact O-N 3.41Å; R84-R88 VanDerWaalsContact O-CG 3.3Å; R84-R88 WeakPolarHBondContact O-CG 3.46Å; R84-R88 PolarHBondContact O-N 3.49Å
85L92.6Very high90.4Very high21 Ų2158.1 Ų58.111%0.1126%0.262CS..Hα-helixtrans-66.1-47.6175.7-176.756.7000111.1E81 T82 L83 S87 R88 V89 I116 I130E81-L85 PolarHBondContact O-N 3.44Å; E81-L85 VanDerWaalsContact O-N 3.12Å; T82-L85 WeakPolarHBondContact O-CA 3.46Å; T82-L85 WeakPolarHBondContact O-CB 3.31Å; T82-L85 PolarHBondContact O-N 3.46Å; L83-L85 VanDerWaalsContact C-N 3.32Å; L83-L85 PolarHBondContact O-N 3.2Å; L85-S87 VanDerWaalsContact C-N 3.31Å; L85-S87 PolarHBondContact O-N 2.7Å; L85-R88 PolarHBondContact O-N 2.94Å; L85-R88 VanDerWaalsContact O-N 3.12Å; L85-V89 HydrophobicContact CD1-CG2 4.39Å; L85-V89 VanDerWaalsContact O-CG2 3.31Å; L85-V89 WeakPolarHBondContact O-CG2 3.46Å; L85-V89 PolarHBondContact O-N 3.27Å; L85-I116 HydrophobicContact CD2-CG1 4.29Å; L85-I116 HydrophobicContact CD2-CG2 3.87Å; L85-I116 HydrophobicContact CG-CD1 4.42Å; L85-I116 HydrophobicContact CG-CG1 4.37Å; L85-I116 HydrophobicContact CG-CG2 4.32Å; L85-I130 HydrophobicContact CD1-CD1 4.16Å; L85-I130 HydrophobicContact CD2-CD1 4.27Å; L85-I130 HydrophobicContact CG-CD1 4.33Å
86F94Very high90.2Very high0 Ų057.5 Ų57.50%026%0.261CS..Hα-helixtrans-54.3-46.5172.9-86.7-85000112.4A6 F21 M66 L68 T82 L83 R88 V89 I90 F113 I116 V117A6-F86 HydrophobicContact CB-CD1 4.2Å; A6-F86 HydrophobicContact CB-CE1 3.65Å; A6-F86 HydrophobicContact CB-CZ 3.91Å; F21-F86 HydrophobicContact CE2-CZ 4.2Å; F21-F86 HydrophobicContact CZ-CE1 4.29Å; F21-F86 AromaticContact CZ-CZ 3.84Å; F21-F86 HydrophobicContact CZ-CZ 3.84Å; M66-F86 HydrophobicContact CE-CB 3.7Å; M66-F86 HydrophobicContact CE-CD1 3.5Å; M66-F86 VanDerWaalsContact CE-CD1 3.5Å; M66-F86 HydrophobicContact CE-CE1 4.28Å; M66-F86 HydrophobicContact CE-CG 3.74Å; M66-F86 HydrophobicContact CG-CB 4.3Å; L68-F86 HydrophobicContact CD2-CD2 3.97Å; L68-F86 HydrophobicContact CD2-CE2 4.11Å; L68-F86 HydrophobicContact CD2-CG 4.36Å; T82-F86 HydrophobicContact CG2-CD2 3.75Å; T82-F86 HydrophobicContact CG2-CE2 3.53Å; T82-F86 VanDerWaalsContact O-CD2 3.31Å; T82-F86 WeakPolarHBondContact O-CD2 3.42Å; T82-F86 PolarHBondContact O-N 3.35Å; L83-F86 PolarHBondContact O-N 3.34Å; F86-R88 VanDerWaalsContact C-N 3.27Å; F86-R88 PolarHBondContact O-N 2.82Å; F86-V89 PolarHBondContact O-N 3.03Å; F86-I90 PolarHBondContact O-N 3.28Å; F86-F113 AromaticContact CD1-CD1 3.39Å; F86-F113 HydrophobicContact CD1-CD1 3.39Å; F86-F113 HydrophobicContact CD1-CD2 4.27Å; F86-F113 AromaticContact CD1-CE1 3.5Å; F86-F113 HydrophobicContact CD1-CE1 3.5Å; F86-F113 HydrophobicContact CD1-CE2 4.35Å; F86-F113 AromaticContact CD1-CG 3.82Å; F86-F113 HydrophobicContact CD1-CG 3.82Å; F86-F113 AromaticContact CD1-CZ 3.99Å; F86-F113 HydrophobicContact CD1-CZ 3.99Å; F86-F113 HydrophobicContact CE1-CB 3.66Å; F86-F113 AromaticContact CE1-CD1 3.42Å; F86-F113 HydrophobicContact CE1-CD1 3.42Å; F86-F113 VanDerWaalsContact CE1-CD1 3.42Å; F86-F113 AromaticContact CE1-CD2 3.91Å; F86-F113 HydrophobicContact CE1-CD2 3.91Å; F86-F113 AromaticContact CE1-CE1 4Å; F86-F113 HydrophobicContact CE1-CE1 4Å; F86-F113 HydrophobicContact CE1-CE2 4.41Å; F86-F113 AromaticContact CE1-CG 3.38Å; F86-F113 HydrophobicContact CE1-CG 3.38Å; F86-F113 HydrophobicContact CE1-CZ 4.45Å; F86-F113 HydrophobicContact CZ-CB 4.42Å; F86-I116 HydrophobicContact CD1-CD1 3.97Å; F86-I116 HydrophobicContact CD2-CD1 4.32Å; F86-I116 HydrophobicContact CD2-CG2 3.99Å; F86-I116 HydrophobicContact CE1-CD1 4.08Å; F86-I116 HydrophobicContact CE2-CB 4.13Å; F86-I116 HydrophobicContact CE2-CD1 4.37Å; F86-I116 HydrophobicContact CE2-CG2 3.54Å; F86-I116 HydrophobicContact CG-CD1 4.11Å; F86-I116 HydrophobicContact CZ-CB 4.08Å; F86-I116 HydrophobicContact CZ-CD1 4.25Å; F86-I116 HydrophobicContact CZ-CG2 4.02Å; F86-V117 HydrophobicContact CE2-CG2 3.67Å; F86-V117 HydrophobicContact CZ-CG2 3.76Å
87S91.9Very high90Very high8 Ų856.4 Ų56.46%0.05626%0.255CS..Hα-helixtrans-65.7-28-179.9-590000113.1Q59 L83 R84 L85 P91Q59-S87 PolarHBondContact OE1-OG 2.79Å; L83-S87 WeakPolarHBondContact O-CB 3.44Å; L83-S87 PolarHBondContact O-N 3.09Å; L83-S87 PolarHBondContact O-OG 3Å; R84-S87 PolarHBondContact O-N 3.41Å; L85-S87 VanDerWaalsContact C-N 3.31Å; L85-S87 PolarHBondContact O-N 2.7Å; S87-P91 WeakPolarHBondContact O-CD 3.39Å
88R91.7Very high90Very high161 Ų16154.1 Ų54.161%0.60824%0.241SC*.Hα-helixtrans-82.3-25.8175.4-75.6175.4179.2172.9-0.4113.6R84 L85 F86 P91R84-R88 VanDerWaalsContact O-CG 3.3Å; R84-R88 WeakPolarHBondContact O-CG 3.46Å; R84-R88 PolarHBondContact O-N 3.49Å; L85-R88 PolarHBondContact O-N 2.94Å; L85-R88 VanDerWaalsContact O-N 3.12Å; F86-R88 VanDerWaalsContact C-N 3.27Å; F86-R88 PolarHBondContact O-N 2.82Å; R88-P91 WeakPolarHBondContact O-CD 3.43Å
89V92.7Very high90Very high1 Ų155.1 Ų55.11%0.00625%0.246CC..Hα-helixtrans-73.5-34.7178.3166.70000111.3L85 F86 E92 Y93 A112 I116 L127 I130L85-V89 HydrophobicContact CD1-CG2 4.39Å; L85-V89 VanDerWaalsContact O-CG2 3.31Å; L85-V89 WeakPolarHBondContact O-CG2 3.46Å; L85-V89 PolarHBondContact O-N 3.27Å; F86-V89 PolarHBondContact O-N 3.03Å; V89-E92 VanDerWaalsContact O-CB 3.31Å; V89-E92 WeakPolarHBondContact O-CB 3.38Å; V89-E92 PolarHBondContact O-N 3.46Å; V89-E92 VanDerWaalsContact O-N 3.1Å; V89-Y93 HydrophobicContact CG1-CD2 4.27Å; V89-Y93 HydrophobicContact CG1-CE2 3.93Å; V89-Y93 WeakPolarHBondContact O-CD2 3.49Å; V89-A112 HydrophobicContact CG1-CB 3.55Å; V89-I116 HydrophobicContact CB-CD1 4.39Å; V89-I116 HydrophobicContact CG2-CD1 3.88Å; V89-L127 HydrophobicContact CB-CD1 4.3Å; V89-L127 HydrophobicContact CG2-CD1 3.4Å; V89-I130 HydrophobicContact CG2-CD1 4.04Å
90I91.4Very high89.9Confident0 Ų058.6 Ų58.60%027%0.27CS..Hα-helixtrans-58.9-47.9-177.9-64.9161.6000112.3V8 L61 M66 F86 E92 Y93 C94 L97 I102 L109 F113V8-I90 HydrophobicContact CG2-CD1 3.71Å; L61-I90 HydrophobicContact CD1-CD1 3.53Å; M66-I90 HydrophobicContact SD-CD1 3.94Å; F86-I90 PolarHBondContact O-N 3.28Å; I90-E92 PolarHBondContact O-N 2.71Å; I90-E92 VanDerWaalsContact O-N 3.13Å; I90-Y93 PolarHBondContact O-N 2.63Å; I90-Y93 VanDerWaalsContact O-N 3.13Å; I90-C94 HydrophobicContact CG2-CB 4.33Å; I90-C94 PolarHBondContact O-N 3.12Å; I90-L97 HydrophobicContact CG2-CD2 3.53Å; I90-I102 HydrophobicContact CG2-CD1 4.33Å; I90-L109 HydrophobicContact CB-CD2 4.37Å; I90-L109 HydrophobicContact CG1-CD2 4.07Å; I90-F113 HydrophobicContact CD1-CZ 4.45Å; I90-F113 HydrophobicContact CG1-CE1 4.34Å; I90-F113 HydrophobicContact CG1-CZ 4.25Å
91P90.1Very high89.9Confident66 Ų6658.7 Ų58.743%0.42927%0.269SS..Hα-helixtrans-61.4-15.8176.1-26.835.8000116.3S87 R88 Y93 C94S87-P91 WeakPolarHBondContact O-CD 3.39Å; R88-P91 WeakPolarHBondContact O-CD 3.43Å; P91-Y93 VanDerWaalsContact C-N 3.31Å; P91-C94 WeakPolarHBondContact CA-O 3.13Å
92E88.2Confident90Very high85 Ų8554 Ų5440%0.39725%0.248SC..Hα-helixtrans-72.1-29.2176-65.1-70.2141.100112.1V89 I90 L127 R131V89-E92 VanDerWaalsContact O-CB 3.31Å; V89-E92 WeakPolarHBondContact O-CB 3.38Å; V89-E92 PolarHBondContact O-N 3.46Å; V89-E92 VanDerWaalsContact O-N 3.1Å; I90-E92 PolarHBondContact O-N 2.71Å; I90-E92 VanDerWaalsContact O-N 3.13Å; E92-L127 HydrophobicContact CG-CD1 3.95Å; E92-L127 HydrophobicContact CG-CD2 4.06Å; E92-L127 HydrophobicContact CG-CG 4.23Å; E92-L127 WeakPolarHBondContact OE1-CD2 3.38Å; E92-R131 IonicContact OE2-CZ 3.2Å; E92-R131 IonicContact OE2-NE 2.62Å; E92-R131 IonicContact OE2-NH2 2.99Å; E92-R131 PolarHBondContact OE2-NH2 3.05Å
93Y87.6Confident90Very high55 Ų5557.2 Ų57.222%0.21627%0.27CS..Hα-helixtrans-106.3-34.7-178.6-61.1-80.5000112.2V89 I90 P91 D108 L109 A112 T134V89-Y93 HydrophobicContact CG1-CD2 4.27Å; V89-Y93 HydrophobicContact CG1-CE2 3.93Å; V89-Y93 WeakPolarHBondContact O-CD2 3.49Å; I90-Y93 PolarHBondContact O-N 2.63Å; I90-Y93 VanDerWaalsContact O-N 3.13Å; P91-Y93 VanDerWaalsContact C-N 3.31Å; Y93-D108 HydrophobicContact CD1-CB 3.73Å; Y93-D108 HydrophobicContact CE1-CB 4.03Å; Y93-D108 HydrophobicContact CG-CB 4.28Å; Y93-L109 HydrophobicContact CD2-CD2 3.9Å; Y93-L109 HydrophobicContact CG-CD2 4.32Å; Y93-A112 HydrophobicContact CE2-CB 3.67Å; Y93-T134 PolarHBondContact OH-OG1 3.05Å; Y93-T134 VanDerWaalsContact OH-OG1 3.12Å
94C87.8Confident90Very high1 Ų164.2 Ų64.21%0.00730%0.303CS..  trans-111.5115.7-178.9-56.80000110.1I90 P91 E101I90-C94 HydrophobicContact CG2-CB 4.33Å; I90-C94 PolarHBondContact O-N 3.12Å; P91-C94 WeakPolarHBondContact CA-O 3.13Å; C94-E101 WeakPolarHBondContact CA-OE1 3.5Å; C94-E101 HydrophobicContact CB-CG 4.11Å
95R82.8Confident90.1Very high235 Ų23560 Ų6089%0.88729%0.289SS*.SBendtrans-75.8-33.9177.3-63.4-179.2-177.2177.12.3111.9E101R95-E101 PolarHBondContact N-OE1 3.38Å
96V84.6Confident90.1Very high70 Ų7060.4 Ų60.442%0.42429%0.293SS..SBendtrans-115.4129.2174.5-164.90000109.2E98 E101V96-E98 HydrophobicContact CG1-CB 4.48Å; V96-E98 HydrophobicContact CG1-CG 3.96Å; V96-E98 PolarHBondContact O-N 3.43Å; V96-E101 VanDerWaalsContact CA-OE2 3.27Å; V96-E101 WeakPolarHBondContact CA-OE2 3.08Å; V96-E101 WeakPolarHBondContact CB-OE2 3.5Å; V96-E101 PolarHBondContact N-OE1 3.26Å; V96-E101 PolarHBondContact N-OE2 3.44Å
97L84.9Confident90.1Very high18 Ų1867.1 Ų67.19%0.09432%0.323CS..  trans-84.358.4-177.6-63.1175.6000111.7L61 E62 I90L61-L97 HydrophobicContact CB-CD1 4.43Å; L61-L97 HydrophobicContact CD2-CD1 4.44Å; E62-L97 HydrophobicContact CG-CB 4.47Å; E62-L97 HydrophobicContact CG-CD1 4.15Å; I90-L97 HydrophobicContact CG2-CD2 3.53Å
98E89Confident90.1Very high79 Ų7969.8 Ų69.837%0.36934%0.337SS..SBendtrans-112.8160176.9-72.4-166.9157.100112.8K63 V96 S100 E101 I102K63-E98 IonicContact NZ-OE1 3.58Å; K63-E98 PolarHBondContact NZ-OE1 3.14Å; V96-E98 HydrophobicContact CG1-CB 4.48Å; V96-E98 HydrophobicContact CG1-CG 3.96Å; V96-E98 PolarHBondContact O-N 3.43Å; E98-S100 VanDerWaalsContact C-N 3.3Å; E98-S100 PolarHBondContact O-N 2.81Å; E98-E101 PolarHBondContact O-N 2.9Å; E98-I102 WeakPolarHBondContact O-CG1 3.37Å; E98-I102 PolarHBondContact O-N 3.46Å
99E89.3Confident90.2Very high81 Ų8162.1 Ų62.138%0.37931%0.308SS..Hα-helixtrans-60.7-36.6-173.7179172.2177.900113.1K14 I16 S103K14-E99 IonicContact NZ-OE1 3.53Å; K14-E99 PolarHBondContact NZ-OE1 2.91Å; I16-E99 HydrophobicContact CD1-CB 3.96Å; I16-E99 HydrophobicContact CD1-CG 3.85Å; I16-E99 HydrophobicContact CG1-CG 3.99Å; I16-E99 HydrophobicContact CG2-CG 4.3Å; E99-S103 WeakPolarHBondContact O-CB 2.99Å; E99-S103 PolarHBondContact O-N 3.11Å; E99-S103 VanDerWaalsContact O-N 3.14Å
100S90.3Very high90.3Very high72 Ų7264 Ų6450%0.50332%0.317SS..Hα-helixtrans-65.3-48.2179.1500000112.1E98 S103 E104E98-S100 VanDerWaalsContact C-N 3.3Å; E98-S100 PolarHBondContact O-N 2.81Å; S100-S103 WeakPolarHBondContact O-CB 3.42Å; S100-S103 PolarHBondContact O-N 3.31Å; S100-E104 WeakPolarHBondContact O-CG 3.36Å; S100-E104 PolarHBondContact O-N 3.39Å
101E90.4Very high90.3Very high33 Ų3369.6 Ų69.615%0.15434%0.342CS..Hα-helixtrans-69.6-39.1-175.3-168.6168.1173.600111.7C94 R95 V96 E98 S103 E104 H105C94-E101 WeakPolarHBondContact CA-OE1 3.5Å; C94-E101 HydrophobicContact CB-CG 4.11Å; R95-E101 PolarHBondContact N-OE1 3.38Å; V96-E101 VanDerWaalsContact CA-OE2 3.27Å; V96-E101 WeakPolarHBondContact CA-OE2 3.08Å; V96-E101 WeakPolarHBondContact CB-OE2 3.5Å; V96-E101 PolarHBondContact N-OE1 3.26Å; V96-E101 PolarHBondContact N-OE2 3.44Å; E98-E101 PolarHBondContact O-N 2.9Å; E101-S103 VanDerWaalsContact C-N 3.28Å; E101-S103 PolarHBondContact O-N 2.87Å; E101-E104 PolarHBondContact O-N 3.2Å; E101-H105 PolarHBondContact O-N 3.19Å
102I92.4Very high90.5Very high0 Ų066.4 Ų66.40%032%0.321CS..Hα-helixtrans-64.6-35.7173.9-64.5-169.7000111.5V8 I16 V17 L64 I90 E98 C106 L109V8-I102 HydrophobicContact CG1-CD1 3.77Å; I16-I102 HydrophobicContact CB-CG2 4.44Å; I16-I102 HydrophobicContact CG2-CB 4.11Å; I16-I102 HydrophobicContact CG2-CG2 3.7Å; V17-I102 HydrophobicContact CG1-CG2 3.81Å; L64-I102 HydrophobicContact CD1-CD1 3.29Å; L64-I102 HydrophobicContact CD1-CG1 4.36Å; I90-I102 HydrophobicContact CG2-CD1 4.33Å; E98-I102 WeakPolarHBondContact O-CG1 3.37Å; E98-I102 PolarHBondContact O-N 3.46Å; I102-C106 WeakPolarHBondContact O-CA 3.33Å; I102-C106 PolarHBondContact O-N 3.31Å; I102-C106 VanDerWaalsContact O-N 3.13Å; I102-L109 HydrophobicContact CG2-CD1 3.94Å
103S92.4Very high90.9Very high68 Ų6862.4 Ų62.448%0.47630%0.302SS..Hα-helixtrans-68.8-37.5175-172.50000111.9E99 S100 E101 C106E99-S103 WeakPolarHBondContact O-CB 2.99Å; E99-S103 PolarHBondContact O-N 3.11Å; E99-S103 VanDerWaalsContact O-N 3.14Å; S100-S103 WeakPolarHBondContact O-CB 3.42Å; S100-S103 PolarHBondContact O-N 3.31Å; E101-S103 VanDerWaalsContact C-N 3.28Å; E101-S103 PolarHBondContact O-N 2.87Å; S103-C106 PolarHBondContact O-SG 3.26Å
104E94.3Very high91.2Very high149 Ų14962.1 Ų62.170%0.69631%0.305SS*.Hα-helixtrans-66-41.1177.6-75.1175.5-176.300111.6S100 E101S100-E104 WeakPolarHBondContact O-CG 3.36Å; S100-E104 PolarHBondContact O-N 3.39Å; E101-E104 PolarHBondContact O-N 3.2Å
105H93.1Very high91.5Very high57 Ų5765.3 Ų65.326%0.26432%0.319SS..THydrogen-bonded Turntrans-95.719.6179.6-70.5-67.8000114.5E101 F107 D108 L109E101-H105 PolarHBondContact O-N 3.19Å; H105-F107 VanDerWaalsContact C-N 3.3Å; H105-F107 PolarHBondContact O-N 3.4Å; H105-D108 IonicContact CG-OD2 3.46Å; H105-D108 IonicContact ND1-OD2 2.77Å; H105-D108 PolarHBondContact ND1-OD2 2.97Å; H105-D108 PolarHBondContact O-N 2.86Å; H105-L109 WeakPolarHBondContact O-CG 3.46Å; H105-L109 PolarHBondContact O-N 3.49Å
106C93.3Very high92Very high29 Ų2954.1 Ų54.120%0.19628%0.277CS..Hα-helixtrans-61.4-34.3-172.163.90000114.1V17 I102 S103 I110V17-C106 HydrophobicContact CG2-CB 4.34Å; I102-C106 WeakPolarHBondContact O-CA 3.33Å; I102-C106 PolarHBondContact O-N 3.31Å; I102-C106 VanDerWaalsContact O-N 3.13Å; S103-C106 PolarHBondContact O-SG 3.26Å; C106-I110 WeakPolarHBondContact O-CD1 3.24Å; C106-I110 VanDerWaalsContact O-CG1 3.22Å; C106-I110 WeakPolarHBondContact O-CG1 3.35Å; C106-I110 PolarHBondContact O-N 3.16Å
107F93.4Very high92.4Very high141 Ų14150.8 Ų50.862%0.61826%0.257SS*.Hα-helixtrans-72.8-42.5178-70-70.4000112.3H105 L109 I110 F111H105-F107 VanDerWaalsContact C-N 3.3Å; H105-F107 PolarHBondContact O-N 3.4Å; F107-L109 VanDerWaalsContact C-N 3.28Å; F107-L109 PolarHBondContact O-N 2.91Å; F107-I110 PolarHBondContact O-N 3.2Å; F107-I110 VanDerWaalsContact O-N 3.14Å; F107-F111 HydrophobicContact CB-CE2 4.42Å; F107-F111 VanDerWaalsContact O-CD2 3.28Å; F107-F111 WeakPolarHBondContact O-CD2 3.48Å; F107-F111 WeakPolarHBondContact O-CG 3.33Å; F107-F111 PolarHBondContact O-N 2.89Å
108D92Very high92.7Very high65 Ų6551.7 Ų51.735%0.34827%0.267SS..Hα-helixtrans-60.2-42.9176.7-56.2-37.2000110.5Y93 H105 F111 A112Y93-D108 HydrophobicContact CD1-CB 3.73Å; Y93-D108 HydrophobicContact CE1-CB 4.03Å; Y93-D108 HydrophobicContact CG-CB 4.28Å; H105-D108 IonicContact CG-OD2 3.46Å; H105-D108 IonicContact ND1-OD2 2.77Å; H105-D108 PolarHBondContact ND1-OD2 2.97Å; H105-D108 PolarHBondContact O-N 2.86Å; D108-F111 PolarHBondContact O-N 2.99Å; D108-A112 WeakPolarHBondContact O-CB 3.44Å; D108-A112 PolarHBondContact O-N 3.05Å
109L93.6Very high92.6Very high0 Ų054.8 Ų54.80%029%0.285CS..Hα-helixtrans-63.4-42.9174.3-68.3174.6000112.1I90 Y93 I102 H105 F107 F111 A112 F113I90-L109 HydrophobicContact CB-CD2 4.37Å; I90-L109 HydrophobicContact CG1-CD2 4.07Å; Y93-L109 HydrophobicContact CD2-CD2 3.9Å; Y93-L109 HydrophobicContact CG-CD2 4.32Å; I102-L109 HydrophobicContact CG2-CD1 3.94Å; H105-L109 WeakPolarHBondContact O-CG 3.46Å; H105-L109 PolarHBondContact O-N 3.49Å; F107-L109 VanDerWaalsContact C-N 3.28Å; F107-L109 PolarHBondContact O-N 2.91Å; L109-F111 VanDerWaalsContact C-N 3.34Å; L109-F111 PolarHBondContact O-N 3.12Å; L109-A112 PolarHBondContact O-N 3.46Å; L109-F113 HydrophobicContact CB-CE1 4.46Å; L109-F113 HydrophobicContact CB-CZ 4.28Å; L109-F113 WeakPolarHBondContact O-CB 3.3Å; L109-F113 WeakPolarHBondContact O-CD1 3.22Å; L109-F113 WeakPolarHBondContact O-CG 3.46Å; L109-F113 PolarHBondContact O-N 3.43Å
110I94.6Very high92.5Very high39 Ų3950.9 Ų50.920%0.227%0.267CS..Hα-helixtrans-61.4-42.8176.9-75.3165.3000111.2V17 C106 F107 F113 D114V17-I110 HydrophobicContact CG2-CD1 4.16Å; V17-I110 HydrophobicContact CG2-CG1 3.99Å; C106-I110 WeakPolarHBondContact O-CD1 3.24Å; C106-I110 VanDerWaalsContact O-CG1 3.22Å; C106-I110 WeakPolarHBondContact O-CG1 3.35Å; C106-I110 PolarHBondContact O-N 3.16Å; F107-I110 PolarHBondContact O-N 3.2Å; F107-I110 VanDerWaalsContact O-N 3.14Å; I110-F113 WeakPolarHBondContact O-CB 3.14Å; I110-F113 PolarHBondContact O-N 3.24Å; I110-D114 PolarHBondContact O-N 3.28Å
111F93.3Very high92.4Very high118 Ų11853.6 Ų53.652%0.51827%0.267SS..Hα-helixtrans-64-45.2176.9-63.7-38.3000111.5F107 D108 L109 F113 D114 E115 T134F107-F111 HydrophobicContact CB-CE2 4.42Å; F107-F111 VanDerWaalsContact O-CD2 3.28Å; F107-F111 WeakPolarHBondContact O-CD2 3.48Å; F107-F111 WeakPolarHBondContact O-CG 3.33Å; F107-F111 PolarHBondContact O-N 2.89Å; D108-F111 PolarHBondContact O-N 2.99Å; L109-F111 VanDerWaalsContact C-N 3.34Å; L109-F111 PolarHBondContact O-N 3.12Å; F111-F113 PolarHBondContact O-N 3.32Å; F111-D114 PolarHBondContact O-N 2.88Å; F111-E115 PolarHBondContact O-N 3.47Å; F111-T134 HydrophobicContact CB-CG2 4.38Å
112A93.8Very high92.4Very high0 Ų054.3 Ų54.30%027%0.269CS..Hα-helixtrans-61.8-34.3174.900000112.4V89 Y93 D108 L109 E115 I116 I130 T134V89-A112 HydrophobicContact CG1-CB 3.55Å; Y93-A112 HydrophobicContact CE2-CB 3.67Å; D108-A112 WeakPolarHBondContact O-CB 3.44Å; D108-A112 PolarHBondContact O-N 3.05Å; L109-A112 PolarHBondContact O-N 3.46Å; A112-E115 PolarHBondContact O-N 3.04Å; A112-I116 VanDerWaalsContact O-CG1 3.31Å; A112-I116 WeakPolarHBondContact O-CG1 3.38Å; A112-I116 PolarHBondContact O-N 2.95Å; A112-I130 HydrophobicContact CB-CG2 4.01Å; A112-T134 HydrophobicContact CB-CG2 4.23Å
113F95.3Very high92.3Very high0 Ų058.6 Ų58.60%029%0.288CS..Hα-helixtrans-68.6-36.5177.2-69.5-1.6000112.7R19 F21 M66 F86 I90 L109 I110 F111 E115 I116 V117R19-F113 HydrophobicContact CB-CD2 4.08Å; R19-F113 HydrophobicContact CG-CB 4.43Å; F21-F113 HydrophobicContact CZ-CB 4.35Å; M66-F113 HydrophobicContact CE-CE2 4.46Å; M66-F113 HydrophobicContact CE-CZ 4.26Å; F86-F113 AromaticContact CD1-CD1 3.39Å; F86-F113 HydrophobicContact CD1-CD1 3.39Å; F86-F113 HydrophobicContact CD1-CD2 4.27Å; F86-F113 AromaticContact CD1-CE1 3.5Å; F86-F113 HydrophobicContact CD1-CE1 3.5Å; F86-F113 HydrophobicContact CD1-CE2 4.35Å; F86-F113 AromaticContact CD1-CG 3.82Å; F86-F113 HydrophobicContact CD1-CG 3.82Å; F86-F113 AromaticContact CD1-CZ 3.99Å; F86-F113 HydrophobicContact CD1-CZ 3.99Å; F86-F113 HydrophobicContact CE1-CB 3.66Å; F86-F113 AromaticContact CE1-CD1 3.42Å; F86-F113 HydrophobicContact CE1-CD1 3.42Å; F86-F113 VanDerWaalsContact CE1-CD1 3.42Å; F86-F113 AromaticContact CE1-CD2 3.91Å; F86-F113 HydrophobicContact CE1-CD2 3.91Å; F86-F113 AromaticContact CE1-CE1 4Å; F86-F113 HydrophobicContact CE1-CE1 4Å; F86-F113 HydrophobicContact CE1-CE2 4.41Å; F86-F113 AromaticContact CE1-CG 3.38Å; F86-F113 HydrophobicContact CE1-CG 3.38Å; F86-F113 HydrophobicContact CE1-CZ 4.45Å; F86-F113 HydrophobicContact CZ-CB 4.42Å; I90-F113 HydrophobicContact CD1-CZ 4.45Å; I90-F113 HydrophobicContact CG1-CE1 4.34Å; I90-F113 HydrophobicContact CG1-CZ 4.25Å; L109-F113 HydrophobicContact CB-CE1 4.46Å; L109-F113 HydrophobicContact CB-CZ 4.28Å; L109-F113 WeakPolarHBondContact O-CB 3.3Å; L109-F113 WeakPolarHBondContact O-CD1 3.22Å; L109-F113 WeakPolarHBondContact O-CG 3.46Å; L109-F113 PolarHBondContact O-N 3.43Å; I110-F113 WeakPolarHBondContact O-CB 3.14Å; I110-F113 PolarHBondContact O-N 3.24Å; F111-F113 PolarHBondContact O-N 3.32Å; F113-E115 VanDerWaalsContact C-N 3.29Å; F113-E115 PolarHBondContact O-N 2.89Å; F113-I116 HydrophobicContact CD1-CD1 4.31Å; F113-I116 PolarHBondContact O-N 2.91Å; F113-V117 PolarHBondContact O-N 3.13Å; F113-V117 VanDerWaalsContact O-N 3.14Å
114D94.6Very high92Very high49 Ų4962.6 Ų62.626%0.26230%0.304SS..Hα-helixtrans-67.2-29.5175.7-78.9-11.3000112.3R19 I110 F111 I116R19-D114 IonicContact CZ-OD1 3.38Å; R19-D114 VanDerWaalsContact CZ-OD1 3.27Å; R19-D114 IonicContact CZ-OD2 2.69Å; R19-D114 IonicContact NE-OD1 3.58Å; R19-D114 PolarHBondContact NE-OD1 3.1Å; R19-D114 IonicContact NE-OD2 2.98Å; R19-D114 VanDerWaalsContact NH2-CG 3.29Å; R19-D114 IonicContact NH2-OD1 2.77Å; R19-D114 PolarHBondContact NH2-OD1 2.78Å; R19-D114 IonicContact NH2-OD2 3.27Å; R19-D114 PolarHBondContact NH2-OD2 3.29Å; I110-D114 PolarHBondContact O-N 3.28Å; F111-D114 PolarHBondContact O-N 2.88Å; D114-I116 VanDerWaalsContact C-N 3.33Å
115E93.4Very high91.7Very high68 Ų6856.5 Ų56.532%0.31828%0.277SS..Hα-helixtrans-73-24.5172.9-63.2-54.4133.500113F111 A112 F113 V125 I130 F133 T134F111-E115 PolarHBondContact O-N 3.47Å; A112-E115 PolarHBondContact O-N 3.04Å; F113-E115 VanDerWaalsContact C-N 3.29Å; F113-E115 PolarHBondContact O-N 2.89Å; E115-V125 WeakPolarHBondContact O-CG2 3.49Å; E115-I130 HydrophobicContact CB-CG1 4.28Å; E115-I130 HydrophobicContact CB-CG2 4.23Å; E115-F133 HydrophobicContact CG-CB 4.04Å; E115-F133 WeakPolarHBondContact OE2-CB 3.36Å; E115-F133 VanDerWaalsContact OE2-CD2 3.3Å; E115-F133 WeakPolarHBondContact OE2-CD2 3.42Å; E115-T134 HydrophobicContact CG-CG2 4.19Å
116I93.6Very high91.4Very high0 Ų057.5 Ų57.50%029%0.285CS..Hα-helixtrans-83.1-38179.2-59.4162.1000111.2T82 L85 F86 V89 A112 F113 D114 E123 I130T82-I116 HydrophobicContact CG2-CG2 4.2Å; L85-I116 HydrophobicContact CD2-CG1 4.29Å; L85-I116 HydrophobicContact CD2-CG2 3.87Å; L85-I116 HydrophobicContact CG-CD1 4.42Å; L85-I116 HydrophobicContact CG-CG1 4.37Å; L85-I116 HydrophobicContact CG-CG2 4.32Å; F86-I116 HydrophobicContact CD1-CD1 3.97Å; F86-I116 HydrophobicContact CD2-CD1 4.32Å; F86-I116 HydrophobicContact CD2-CG2 3.99Å; F86-I116 HydrophobicContact CE1-CD1 4.08Å; F86-I116 HydrophobicContact CE2-CB 4.13Å; F86-I116 HydrophobicContact CE2-CD1 4.37Å; F86-I116 HydrophobicContact CE2-CG2 3.54Å; F86-I116 HydrophobicContact CG-CD1 4.11Å; F86-I116 HydrophobicContact CZ-CB 4.08Å; F86-I116 HydrophobicContact CZ-CD1 4.25Å; F86-I116 HydrophobicContact CZ-CG2 4.02Å; V89-I116 HydrophobicContact CB-CD1 4.39Å; V89-I116 HydrophobicContact CG2-CD1 3.88Å; A112-I116 VanDerWaalsContact O-CG1 3.31Å; A112-I116 WeakPolarHBondContact O-CG1 3.38Å; A112-I116 PolarHBondContact O-N 2.95Å; F113-I116 HydrophobicContact CD1-CD1 4.31Å; F113-I116 PolarHBondContact O-N 2.91Å; D114-I116 VanDerWaalsContact C-N 3.33Å; I116-E123 PolarHBondContact O-N 3.13Å; I116-I130 HydrophobicContact CD1-CD1 4.31Å; I116-I130 HydrophobicContact CG1-CD1 3.61Å; I116-I130 HydrophobicContact CG1-CG1 4.44Å
117V93.9Very high91Very high1 Ų158.7 Ų58.71%0.00629%0.289CS..EExtended strand (participates in β ladder)trans-135.7121.1-174.7179.30000110.6L3 F21 T82 F86 F113 Y121L3-V117 HydrophobicContact CD1-CG2 4.05Å; L3-V117 HydrophobicContact CD2-CG1 4.45Å; F21-V117 HydrophobicContact CB-CG1 4.09Å; F21-V117 HydrophobicContact CD1-CB 3.84Å; F21-V117 HydrophobicContact CD1-CG1 3.69Å; F21-V117 VanDerWaalsContact CD1-O 3.28Å; F21-V117 WeakPolarHBondContact CD1-O 3.2Å; F21-V117 HydrophobicContact CD2-CB 4.33Å; F21-V117 HydrophobicContact CD2-CG1 3.89Å; F21-V117 HydrophobicContact CE1-CB 3.65Å; F21-V117 HydrophobicContact CE1-CG1 4.04Å; F21-V117 WeakPolarHBondContact CE1-O 3.37Å; F21-V117 HydrophobicContact CE2-CB 4.14Å; F21-V117 HydrophobicContact CE2-CG1 4.19Å; F21-V117 HydrophobicContact CE2-CG2 4.47Å; F21-V117 HydrophobicContact CG-CB 4.17Å; F21-V117 HydrophobicContact CG-CG1 3.6Å; F21-V117 HydrophobicContact CZ-CB 3.8Å; F21-V117 HydrophobicContact CZ-CG1 4.27Å; F21-V117 HydrophobicContact CZ-CG2 4.33Å; T82-V117 HydrophobicContact CG2-CG2 4.14Å; F86-V117 HydrophobicContact CE2-CG2 3.67Å; F86-V117 HydrophobicContact CZ-CG2 3.76Å; F113-V117 PolarHBondContact O-N 3.13Å; F113-V117 VanDerWaalsContact O-N 3.14Å; V117-Y121 CarbonylContact C-O 3.52Å; V117-Y121 WeakPolarHBondContact CA-O 3.27Å; V117-Y121 WeakPolarHBondContact CG1-O 3.22Å
118A90.3Very high90.6Very high36 Ų3655 Ų5530%0.29829%0.285SS..EExtended strand (participates in β ladder)trans-109.5123173.100000110.2G120 Y121 E123A118-G120 PolarHBondContact O-N 3.03Å; A118-Y121 PolarHBondContact N-O 3.1Å; A118-Y121 PolarHBondContact O-N 2.89Å; A118-E123 HydrophobicContact CB-CG 4.02Å
119L87.9Confident90.3Very high144 Ų14455.6 Ų55.675%0.75429%0.285SS*.THydrogen-bonded Turntrans52.929.6176.1-57.6173.3000114.4Y121L119-Y121 WeakPolarHBondContact O-CD2 3.48Å
120G86.7Confident90Very high0 Ų055.7 Ų55.70%029%0.286CS..THydrogen-bonded Turntrans84.46.6-179.600000114.9V2 L3 A118V2-G120 WeakPolarHBondContact CA-O 3.37Å; L3-G120 PolarHBondContact N-O 3.23Å; L3-G120 WeakPolarHBondContact O-CA 3.46Å; A118-G120 PolarHBondContact O-N 3.03Å
121Y88.8Confident89.5Confident129 Ų12959.6 Ų59.651%0.50630%0.298SS..EExtended strand (participates in β ladder)trans-106.1136.8172-62.2-87.2000110.1M1 V117 A118 L119M1-Y121 HydrophobicContact CB-CD1 4.4Å; M1-Y121 VanDerWaalsContact O-CE1 3.26Å; M1-Y121 WeakPolarHBondContact O-CE1 3.4Å; V117-Y121 CarbonylContact C-O 3.52Å; V117-Y121 WeakPolarHBondContact CA-O 3.27Å; V117-Y121 WeakPolarHBondContact CG1-O 3.22Å; A118-Y121 PolarHBondContact N-O 3.1Å; A118-Y121 PolarHBondContact O-N 2.89Å; L119-Y121 WeakPolarHBondContact O-CD2 3.48Å
122R89.3Confident89.1Confident48 Ų4857.5 Ų57.518%0.18130%0.295CS..EExtended strand (participates in β ladder)trans-70.1130.8175.9-179.7-163.9178173.2-7.1109.7M1 E81 T82M1-R122 HydrophobicContact CE-CB 3.77Å; M1-R122 HydrophobicContact SD-CB 4.34Å; E81-R122 IonicContact OE1-CZ 3.38Å; E81-R122 IonicContact OE1-NH1 2.89Å; E81-R122 IonicContact OE1-NH2 2.81Å; E81-R122 PolarHBondContact OE1-NH2 3.04Å; E81-R122 IonicContact OE2-CZ 3.94Å; E81-R122 IonicContact OE2-NH1 3.32Å; E81-R122 PolarHBondContact OE2-NH1 3.14Å; E81-R122 IonicContact OE2-NH2 3.26Å; T82-R122 VanDerWaalsContact OG1-CD 3.27Å; T82-R122 WeakPolarHBondContact OG1-CD 3.11Å
123E90.3Very high88.7Confident89 Ų8961.9 Ų61.942%0.41631%0.314SS..  trans-86.5146.2169.5-69.9-64.1158.400110.8I116 A118 V125I116-E123 PolarHBondContact O-N 3.13Å; A118-E123 HydrophobicContact CB-CG 4.02Å; E123-V125 VanDerWaalsContact C-N 3.27Å; E123-V125 HydrophobicContact CB-CG1 4.17Å; E123-V125 HydrophobicContact CB-CG2 4.41Å; E123-V125 PolarHBondContact O-N 3.36Å
124N87.3Confident88.3Confident152 Ų15263.7 Ų63.781%0.81333%0.325SS*.  trans-85.672.1179.8-169.39.4000110.8
125V87.6Confident87.7Confident21 Ų2167 Ų6713%0.12734%0.339CS..  trans-119.7149.2-176.9-64.60000111.8E115 E123 I130 F133E115-V125 WeakPolarHBondContact O-CG2 3.49Å; E123-V125 VanDerWaalsContact C-N 3.27Å; E123-V125 HydrophobicContact CB-CG1 4.17Å; E123-V125 HydrophobicContact CB-CG2 4.41Å; E123-V125 PolarHBondContact O-N 3.36Å; V125-I130 HydrophobicContact CB-CG1 4.2Å; V125-I130 HydrophobicContact CG2-CD1 3.95Å; V125-I130 HydrophobicContact CG2-CG1 3.8Å; V125-F133 HydrophobicContact CG1-CE2 3.99Å
126N86.5Confident86.8Confident79 Ų7971.8 Ų71.842%0.42236%0.364SS..  trans-105.3166.9171.271.848.3000111.5A128 Q129 I130N126-A128 VanDerWaalsContact C-N 3.27Å; N126-A128 PolarHBondContact O-N 3.31Å; N126-A128 WeakPolarHBondContact OD1-CB 3.5Å; N126-A128 PolarHBondContact OD1-N 3.22Å; N126-Q129 VanDerWaalsContact CG-OE1 3.27Å; N126-Q129 PolarHBondContact ND2-OE1 2.94Å; N126-Q129 VanDerWaalsContact ND2-OE1 3.14Å; N126-Q129 WeakPolarHBondContact O-CB 3.31Å; N126-Q129 PolarHBondContact O-N 3Å; N126-Q129 VanDerWaalsContact O-N 3.13Å; N126-Q129 WeakPolarHBondContact OD1-CG 3.3Å; N126-Q129 PolarHBondContact OD1-N 3.21Å; N126-I130 WeakPolarHBondContact O-CG1 3.28Å; N126-I130 PolarHBondContact O-N 3.14Å
127L85.6Confident85.9Confident53 Ų5375.6 Ų75.628%0.27738%0.384SS..Hα-helixtrans-57.4-37-176.5-166.764000113.8V89 E92 R131V89-L127 HydrophobicContact CB-CD1 4.3Å; V89-L127 HydrophobicContact CG2-CD1 3.4Å; E92-L127 HydrophobicContact CG-CD1 3.95Å; E92-L127 HydrophobicContact CG-CD2 4.06Å; E92-L127 HydrophobicContact CG-CG 4.23Å; E92-L127 WeakPolarHBondContact OE1-CD2 3.38Å; L127-R131 PolarHBondContact O-N 3.13Å; L127-R131 VanDerWaalsContact O-N 3.14Å
128A84.8Confident85.2Confident65 Ų6578 Ų7854%0.53740%0.401SS..Hα-helixtrans-70.2-39.5179.100000111.7N126 R131 T132N126-A128 VanDerWaalsContact C-N 3.27Å; N126-A128 PolarHBondContact O-N 3.31Å; N126-A128 WeakPolarHBondContact OD1-CB 3.5Å; N126-A128 PolarHBondContact OD1-N 3.22Å; A128-R131 WeakPolarHBondContact O-CB 3.43Å; A128-R131 PolarHBondContact O-N 3.4Å; A128-T132 PolarHBondContact O-N 3.41Å; A128-T132 VanDerWaalsContact O-N 3.11Å; A128-T132 PolarHBondContact O-OG1 2.98Å
129Q85.3Confident84.5Confident76 Ų7683.2 Ų83.236%0.35542%0.419SS..Hα-helixtrans-64.7-44.4175-71.4172.1-53.300111.3N126 R131 T132 F133N126-Q129 VanDerWaalsContact CG-OE1 3.27Å; N126-Q129 PolarHBondContact ND2-OE1 2.94Å; N126-Q129 VanDerWaalsContact ND2-OE1 3.14Å; N126-Q129 WeakPolarHBondContact O-CB 3.31Å; N126-Q129 PolarHBondContact O-N 3Å; N126-Q129 VanDerWaalsContact O-N 3.13Å; N126-Q129 WeakPolarHBondContact OD1-CG 3.3Å; N126-Q129 PolarHBondContact OD1-N 3.21Å; Q129-R131 VanDerWaalsContact C-N 3.27Å; Q129-R131 PolarHBondContact O-N 3.14Å; Q129-T132 PolarHBondContact O-N 3.24Å; Q129-T132 VanDerWaalsContact O-N 3.14Å; Q129-F133 HydrophobicContact CB-CD2 4.47Å; Q129-F133 HydrophobicContact CB-CE2 3.93Å; Q129-F133 HydrophobicContact CB-CZ 4.03Å; Q129-F133 WeakPolarHBondContact O-CD1 3.31Å; Q129-F133 WeakPolarHBondContact O-CD2 3.33Å; Q129-F133 WeakPolarHBondContact O-CG 3.46Å; Q129-F133 PolarHBondContact O-N 3.21Å
130I87.3Confident84.2Confident2 Ų283.9 Ų83.91%0.0142%0.418CS..Hα-helixtrans-54.5-48175.9-66.2164000109.6L85 V89 A112 E115 I116 V125 N126 T132 F133 T134L85-I130 HydrophobicContact CD1-CD1 4.16Å; L85-I130 HydrophobicContact CD2-CD1 4.27Å; L85-I130 HydrophobicContact CG-CD1 4.33Å; V89-I130 HydrophobicContact CG2-CD1 4.04Å; A112-I130 HydrophobicContact CB-CG2 4.01Å; E115-I130 HydrophobicContact CB-CG1 4.28Å; E115-I130 HydrophobicContact CB-CG2 4.23Å; I116-I130 HydrophobicContact CD1-CD1 4.31Å; I116-I130 HydrophobicContact CG1-CD1 3.61Å; I116-I130 HydrophobicContact CG1-CG1 4.44Å; V125-I130 HydrophobicContact CB-CG1 4.2Å; V125-I130 HydrophobicContact CG2-CD1 3.95Å; V125-I130 HydrophobicContact CG2-CG1 3.8Å; N126-I130 WeakPolarHBondContact O-CG1 3.28Å; N126-I130 PolarHBondContact O-N 3.14Å; I130-T132 PolarHBondContact O-N 3.33Å; I130-F133 PolarHBondContact O-N 3.34Å; I130-T134 HydrophobicContact CG2-CG2 4.3Å; I130-T134 WeakPolarHBondContact O-CG2 3.34Å; I130-T134 PolarHBondContact O-N 2.99Å; I130-T134 PolarHBondContact O-OG1 2.85Å
131R85.3Confident84Confident121 Ų12188.1 Ų88.146%0.45744%0.438SS..Hα-helixtrans-55.9-51177.1-170.4-173.1-64.9-176-0.9111.9E92 L127 A128 Q129 F133 T134 E135E92-R131 IonicContact OE2-CZ 3.2Å; E92-R131 IonicContact OE2-NE 2.62Å; E92-R131 IonicContact OE2-NH2 2.99Å; E92-R131 PolarHBondContact OE2-NH2 3.05Å; L127-R131 PolarHBondContact O-N 3.13Å; L127-R131 VanDerWaalsContact O-N 3.14Å; A128-R131 WeakPolarHBondContact O-CB 3.43Å; A128-R131 PolarHBondContact O-N 3.4Å; Q129-R131 VanDerWaalsContact C-N 3.27Å; Q129-R131 PolarHBondContact O-N 3.14Å; R131-F133 VanDerWaalsContact C-N 3.31Å; R131-F133 PolarHBondContact O-N 3.13Å; R131-T134 WeakPolarHBondContact CA-OG1 3.25Å; R131-T134 PolarHBondContact O-N 3.21Å; R131-T134 PolarHBondContact O-OG1 3.14Å; R131-E135 WeakPolarHBondContact CG-OE1 3.26Å; R131-E135 WeakPolarHBondContact O-CB 3.48Å; R131-E135 VanDerWaalsContact O-CG 3.29Å; R131-E135 WeakPolarHBondContact O-CG 3.17Å; R131-E135 PolarHBondContact O-N 3.02Å
132T84.4Confident83.9Confident74 Ų7486.9 Ų86.945%0.45444%0.435SS..Hα-helixtrans-61.5-38.7179.2-57.10000112.3A128 Q129 I130 E135A128-T132 PolarHBondContact O-N 3.41Å; A128-T132 VanDerWaalsContact O-N 3.11Å; A128-T132 PolarHBondContact O-OG1 2.98Å; Q129-T132 PolarHBondContact O-N 3.24Å; Q129-T132 VanDerWaalsContact O-N 3.14Å; I130-T132 PolarHBondContact O-N 3.33Å; T132-E135 PolarHBondContact O-N 2.84Å
133F85.1Confident83.8Confident92 Ų9288 Ų8840%0.40445%0.447SS..Hα-helixtrans-69.4-41.8178.4-59.6-21000111.5E115 V125 Q129 I130 R131 E135 M136E115-F133 HydrophobicContact CG-CB 4.04Å; E115-F133 WeakPolarHBondContact OE2-CB 3.36Å; E115-F133 VanDerWaalsContact OE2-CD2 3.3Å; E115-F133 WeakPolarHBondContact OE2-CD2 3.42Å; V125-F133 HydrophobicContact CG1-CE2 3.99Å; Q129-F133 HydrophobicContact CB-CD2 4.47Å; Q129-F133 HydrophobicContact CB-CE2 3.93Å; Q129-F133 HydrophobicContact CB-CZ 4.03Å; Q129-F133 WeakPolarHBondContact O-CD1 3.31Å; Q129-F133 WeakPolarHBondContact O-CD2 3.33Å; Q129-F133 WeakPolarHBondContact O-CG 3.46Å; Q129-F133 PolarHBondContact O-N 3.21Å; I130-F133 PolarHBondContact O-N 3.34Å; R131-F133 VanDerWaalsContact C-N 3.31Å; R131-F133 PolarHBondContact O-N 3.13Å; F133-E135 VanDerWaalsContact C-N 3.32Å; F133-E135 PolarHBondContact O-N 3.47Å; F133-M136 PolarHBondContact O-N 3.26Å; F133-M136 VanDerWaalsContact O-N 3.09Å
134T85.8Confident83.7Confident38 Ų3890.3 Ų90.323%0.23346%0.456CS..Hα-helixtrans-68.4-27.5175.5510000113.5Y93 F111 A112 E115 I130 R131 M136Y93-T134 PolarHBondContact OH-OG1 3.05Å; Y93-T134 VanDerWaalsContact OH-OG1 3.12Å; F111-T134 HydrophobicContact CB-CG2 4.38Å; A112-T134 HydrophobicContact CB-CG2 4.23Å; E115-T134 HydrophobicContact CG-CG2 4.19Å; I130-T134 HydrophobicContact CG2-CG2 4.3Å; I130-T134 WeakPolarHBondContact O-CG2 3.34Å; I130-T134 PolarHBondContact O-N 2.99Å; I130-T134 PolarHBondContact O-OG1 2.85Å; R131-T134 WeakPolarHBondContact CA-OG1 3.25Å; R131-T134 PolarHBondContact O-N 3.21Å; R131-T134 PolarHBondContact O-OG1 3.14Å; T134-M136 PolarHBondContact O-N 3.31Å
135E82.4Confident83.9Confident119 Ų11990 Ų9056%0.55644%0.443SS*.THydrogen-bonded Turntrans-68.6-17.6172.6-77.1169.7-174.800112.3R131 T132 F133 D137R131-E135 WeakPolarHBondContact CG-OE1 3.26Å; R131-E135 WeakPolarHBondContact O-CB 3.48Å; R131-E135 VanDerWaalsContact O-CG 3.29Å; R131-E135 WeakPolarHBondContact O-CG 3.17Å; R131-E135 PolarHBondContact O-N 3.02Å; T132-E135 PolarHBondContact O-N 2.84Å; F133-E135 VanDerWaalsContact C-N 3.32Å; F133-E135 PolarHBondContact O-N 3.47Å; E135-D137 PolarHBondContact O-N 3.37Å
136M75.7Confident84Confident168 Ų16891.4 Ų91.483%0.82846%0.457SS*.THydrogen-bonded Turntrans50.924.8-178.9-54.6-176.181.800113.6F133 T134F133-M136 PolarHBondContact O-N 3.26Å; F133-M136 VanDerWaalsContact O-N 3.09Å; T134-M136 PolarHBondContact O-N 3.31Å
137D73.4Confident84.3Confident81 Ų8191 Ų9143%0.43346%0.457SS..  trans-99.495.6-176-172.311.2000110.6E135 K142E135-D137 PolarHBondContact O-N 3.37Å; D137-K142 WeakPolarHBondContact OD1-CE 3.43Å; D137-K142 IonicContact OD1-NZ 3.94Å; D137-K142 PolarHBondContact OD1-NZ 2.97Å; D137-K142 IonicContact OD2-NZ 3.97Å; D137-K142 PolarHBondContact OD2-NZ 2.87Å
138S78.8Confident84.7Confident50 Ų5095.1 Ų95.135%0.3547%0.469SS..  trans-87.6117.3179.9178.50000112E140 E141 K142S138-E140 VanDerWaalsContact C-N 3.28Å; S138-E140 PolarHBondContact O-N 3.22Å; S138-E140 PolarHBondContact OG-N 2.95Å; S138-E141 PolarHBondContact O-N 2.78Å; S138-E141 PolarHBondContact OG-N 3Å; S138-K142 PolarHBondContact O-N 2.83Å; S138-K142 VanDerWaalsContact O-N 3.13Å
139H75.8Confident85.2Confident146 Ų14697.3 Ų97.368%0.67647%0.468SS*.Hα-helixtrans-59.7-39.1172.2-172.972.4000112E141 K142 V143H139-E141 VanDerWaalsContact C-N 3.3Å; H139-E141 PolarHBondContact O-N 3.49Å; H139-K142 PolarHBondContact O-N 2.99Å; H139-V143 WeakPolarHBondContact O-CG2 3.49Å; H139-V143 PolarHBondContact O-N 3.12Å
140E81.9Confident85.5Confident159 Ų15996.4 Ų96.474%0.74347%0.468SS*.Hα-helixtrans-62.7-38.4177.4-65-172.1164.400111.6S138 V143 F144S138-E140 VanDerWaalsContact C-N 3.28Å; S138-E140 PolarHBondContact O-N 3.22Å; S138-E140 PolarHBondContact OG-N 2.95Å; E140-V143 PolarHBondContact O-N 3.49Å; E140-F144 VanDerWaalsContact O-CB 3.32Å; E140-F144 WeakPolarHBondContact O-CB 3.48Å; E140-F144 PolarHBondContact O-N 3.05Å
141E82.4Confident85.8Confident89 Ų89102 Ų10242%0.41649%0.494SS..Hα-helixtrans-67.6-41.2177.3-161-160.8149.600111.7S138 H139 F144 R145S138-E141 PolarHBondContact O-N 2.78Å; S138-E141 PolarHBondContact OG-N 3Å; H139-E141 VanDerWaalsContact C-N 3.3Å; H139-E141 PolarHBondContact O-N 3.49Å; E141-F144 PolarHBondContact O-N 2.89Å; E141-R145 WeakPolarHBondContact O-CG 3.35Å; E141-R145 PolarHBondContact O-N 3.15Å; E141-R145 IonicContact OE1-CZ 2.66Å; E141-R145 IonicContact OE1-NE 2.75Å; E141-R145 PolarHBondContact OE1-NE 3.33Å; E141-R145 IonicContact OE1-NH2 3.34Å; E141-R145 PolarHBondContact OE1-NH2 2.68Å; E141-R145 IonicContact OE2-NH2 3.53Å; E141-R145 PolarHBondContact OE2-NH2 3.31Å
142K86.8Confident86.2Confident102 Ų102101.2 Ų101.244%0.44350%0.496SS..Hα-helixtrans-60.2-46.1174.4-76.9174.2168.6166.20111.7D137 S138 H139 R145 A146D137-K142 WeakPolarHBondContact OD1-CE 3.43Å; D137-K142 IonicContact OD1-NZ 3.94Å; D137-K142 PolarHBondContact OD1-NZ 2.97Å; D137-K142 IonicContact OD2-NZ 3.97Å; D137-K142 PolarHBondContact OD2-NZ 2.87Å; S138-K142 PolarHBondContact O-N 2.83Å; S138-K142 VanDerWaalsContact O-N 3.13Å; H139-K142 PolarHBondContact O-N 2.99Å; K142-R145 PolarHBondContact O-N 3.47Å; K142-A146 WeakPolarHBondContact O-CB 2.94Å; K142-A146 PolarHBondContact O-N 2.8Å
143V87.6Confident86.6Confident72 Ų72104.2 Ų104.244%0.43650%0.499SS..Hα-helixtrans-61.5-45.9175.8172.60000110.4H139 E140 R145 A146 V147H139-V143 WeakPolarHBondContact O-CG2 3.49Å; H139-V143 PolarHBondContact O-N 3.12Å; E140-V143 PolarHBondContact O-N 3.49Å; V143-R145 PolarHBondContact O-N 2.9Å; V143-A146 PolarHBondContact O-N 2.65Å; V143-V147 HydrophobicContact CG1-CG2 4.39Å; V143-V147 WeakPolarHBondContact O-CG2 3.3Å; V143-V147 PolarHBondContact O-N 2.82Å
144F88.9Confident87.1Confident137 Ų137106 Ų10660%0.60151%0.508SS*.Hα-helixtrans-60.2-44.4178.6-177.6-98.6000112.4E140 E141 A146 V147 R148E140-F144 VanDerWaalsContact O-CB 3.32Å; E140-F144 WeakPolarHBondContact O-CB 3.48Å; E140-F144 PolarHBondContact O-N 3.05Å; E141-F144 PolarHBondContact O-N 2.89Å; F144-A146 PolarHBondContact O-N 2.88Å; F144-V147 PolarHBondContact O-N 3.45Å; F144-R148 WeakPolarHBondContact O-CB 3.41Å; F144-R148 PolarHBondContact O-N 3.41Å
145R90.2Very high87.4Confident146 Ų146106.8 Ų106.855%0.55152%0.519SS*.Hα-helixtrans-60.9-43.6175-73.1-169.6-126.81624.2111.7E141 K142 V143 R148 E149E141-R145 WeakPolarHBondContact O-CG 3.35Å; E141-R145 PolarHBondContact O-N 3.15Å; E141-R145 IonicContact OE1-CZ 2.66Å; E141-R145 IonicContact OE1-NE 2.75Å; E141-R145 PolarHBondContact OE1-NE 3.33Å; E141-R145 IonicContact OE1-NH2 3.34Å; E141-R145 PolarHBondContact OE1-NH2 2.68Å; E141-R145 IonicContact OE2-NH2 3.53Å; E141-R145 PolarHBondContact OE2-NH2 3.31Å; K142-R145 PolarHBondContact O-N 3.47Å; V143-R145 PolarHBondContact O-N 2.9Å; R145-R148 PolarHBondContact O-N 3.47Å; R145-E149 WeakPolarHBondContact O-CB 3.47Å; R145-E149 PolarHBondContact O-N 2.76Å
146A90.4Very high87.9Confident51 Ų51108.7 Ų108.742%0.42153%0.525SS..Hα-helixtrans-63.9-41.8178.700000112.6K142 V143 F144 T150K142-A146 WeakPolarHBondContact O-CB 2.94Å; K142-A146 PolarHBondContact O-N 2.8Å; V143-A146 PolarHBondContact O-N 2.65Å; F144-A146 PolarHBondContact O-N 2.88Å; A146-T150 WeakPolarHBondContact O-CB 3.4Å; A146-T150 PolarHBondContact O-N 2.87Å; A146-T150 PolarHBondContact O-OG1 3.07Å
147V92.6Very high88.7Confident70 Ų70103.6 Ų103.642%0.42451%0.51SS..Hα-helixtrans-63.3-45.9175.1171.90000110.4V143 F144 E149 T150 Q151V143-V147 HydrophobicContact CG1-CG2 4.39Å; V143-V147 WeakPolarHBondContact O-CG2 3.3Å; V143-V147 PolarHBondContact O-N 2.82Å; F144-V147 PolarHBondContact O-N 3.45Å; V147-E149 PolarHBondContact O-N 3.29Å; V147-T150 PolarHBondContact O-N 2.88Å; V147-Q151 WeakPolarHBondContact O-CG 3.29Å; V147-Q151 PolarHBondContact O-N 3.34Å
148R93.9Very high89.6Confident140 Ų140104.7 Ų104.753%0.52851%0.512SS..Hα-helixtrans-62.5-44179.6-158.8-175.197.9-173.51.3112F144 R145 T150 Q151 E152F144-R148 WeakPolarHBondContact O-CB 3.41Å; F144-R148 PolarHBondContact O-N 3.41Å; R145-R148 PolarHBondContact O-N 3.47Å; R148-T150 VanDerWaalsContact C-N 3.28Å; R148-T150 PolarHBondContact O-N 3.04Å; R148-Q151 PolarHBondContact O-N 3.12Å; R148-E152 IonicContact CZ-OE1 2.8Å; R148-E152 IonicContact NE-OE1 3.41Å; R148-E152 PolarHBondContact NE-OE1 3.01Å; R148-E152 IonicContact NH2-OE1 2.65Å; R148-E152 PolarHBondContact NH2-OE1 3.36Å; R148-E152 WeakPolarHBondContact O-CG 3.47Å; R148-E152 PolarHBondContact O-N 3.34Å
149E94.4Very high90Very high110 Ų110108.9 Ų108.951%0.51453%0.528SS..Hα-helixtrans-63.3-37.7177.5-162.1-168.3155.200111.6R145 V147 E152 R153R145-E149 WeakPolarHBondContact O-CB 3.47Å; R145-E149 PolarHBondContact O-N 2.76Å; V147-E149 PolarHBondContact O-N 3.29Å; E149-E152 PolarHBondContact O-N 3.22Å; E149-R153 VanDerWaalsContact CD-NH2 3.26Å; E149-R153 VanDerWaalsContact O-CB 3.26Å; E149-R153 WeakPolarHBondContact O-CB 3.37Å; E149-R153 PolarHBondContact O-N 3.01Å; E149-R153 IonicContact OE1-CZ 3.16Å; E149-R153 IonicContact OE1-NH2 3.05Å; E149-R153 PolarHBondContact OE1-NH2 3.2Å; E149-R153 IonicContact OE2-NH2 3.89Å
150T93.1Very high90.7Very high57 Ų57110.3 Ų110.335%0.3553%0.528SS..Hα-helixtrans-65.1-45175.7-56.10000111.1A146 V147 R148 R153 E154A146-T150 WeakPolarHBondContact O-CB 3.4Å; A146-T150 PolarHBondContact O-N 2.87Å; A146-T150 PolarHBondContact O-OG1 3.07Å; V147-T150 PolarHBondContact O-N 2.88Å; R148-T150 VanDerWaalsContact C-N 3.28Å; R148-T150 PolarHBondContact O-N 3.04Å; T150-R153 WeakPolarHBondContact O-CB 3.15Å; T150-R153 PolarHBondContact O-N 2.69Å; T150-E154 WeakPolarHBondContact O-CG 3.49Å; T150-E154 PolarHBondContact O-N 2.85Å
151Q92.9Very high91.1Very high120 Ų120110.9 Ų110.956%0.56152%0.523SS*.Hα-helixtrans-62.1-43.9175.7-71.2177.77.900112.4V147 R148 R153 E154 A155V147-Q151 WeakPolarHBondContact O-CG 3.29Å; V147-Q151 PolarHBondContact O-N 3.34Å; R148-Q151 PolarHBondContact O-N 3.12Å; Q151-R153 VanDerWaalsContact C-N 3.31Å; Q151-R153 PolarHBondContact O-N 3.36Å; Q151-E154 PolarHBondContact O-N 3.4Å; Q151-A155 WeakPolarHBondContact O-CB 3.25Å; Q151-A155 PolarHBondContact O-N 2.98Å
152E93.6Very high91.4Very high105 Ų105112.1 Ų112.149%0.49153%0.527SS..Hα-helixtrans-61.7-40.7176-73.8177.2-157.200111.2R148 E149 K156R148-E152 IonicContact CZ-OE1 2.8Å; R148-E152 IonicContact NE-OE1 3.41Å; R148-E152 PolarHBondContact NE-OE1 3.01Å; R148-E152 IonicContact NH2-OE1 2.65Å; R148-E152 PolarHBondContact NH2-OE1 3.36Å; R148-E152 WeakPolarHBondContact O-CG 3.47Å; R148-E152 PolarHBondContact O-N 3.34Å; E149-E152 PolarHBondContact O-N 3.22Å; E152-K156 VanDerWaalsContact O-CB 3.32Å; E152-K156 WeakPolarHBondContact O-CB 3.37Å; E152-K156 PolarHBondContact O-N 2.7Å
153R93.7Very high91.4Very high137 Ų137110 Ų11052%0.51753%0.528SS..Hα-helixtrans-66.5-43.7177.9-167.6-177.3-57.4127.4-0.5111.9E149 T150 Q151 K156 A157E149-R153 VanDerWaalsContact CD-NH2 3.26Å; E149-R153 VanDerWaalsContact O-CB 3.26Å; E149-R153 WeakPolarHBondContact O-CB 3.37Å; E149-R153 PolarHBondContact O-N 3.01Å; E149-R153 IonicContact OE1-CZ 3.16Å; E149-R153 IonicContact OE1-NH2 3.05Å; E149-R153 PolarHBondContact OE1-NH2 3.2Å; E149-R153 IonicContact OE2-NH2 3.89Å; T150-R153 WeakPolarHBondContact O-CB 3.15Å; T150-R153 PolarHBondContact O-N 2.69Å; Q151-R153 VanDerWaalsContact C-N 3.31Å; Q151-R153 PolarHBondContact O-N 3.36Å; R153-K156 PolarHBondContact O-N 3.22Å; R153-A157 WeakPolarHBondContact O-CB 3.46Å; R153-A157 PolarHBondContact O-N 3.4Å
154E93.6Very high91.6Very high128 Ų128112.4 Ų112.460%0.59853%0.533SS*.Hα-helixtrans-63.7-47.8176.3-75.7-178174.100111.5T150 Q151 K156 A157 E158T150-E154 WeakPolarHBondContact O-CG 3.49Å; T150-E154 PolarHBondContact O-N 2.85Å; Q151-E154 PolarHBondContact O-N 3.4Å; E154-K156 VanDerWaalsContact C-N 3.3Å; E154-K156 PolarHBondContact O-N 2.8Å; E154-A157 PolarHBondContact O-N 3.14Å; E154-A157 VanDerWaalsContact O-N 3.15Å; E154-E158 PolarHBondContact O-N 3.14Å
155A92.7Very high91.4Very high56 Ų56110.6 Ų110.646%0.46353%0.526SS..Hα-helixtrans-59.9-40.5177.200000112Q151 E158 M159Q151-A155 WeakPolarHBondContact O-CB 3.25Å; Q151-A155 PolarHBondContact O-N 2.98Å; A155-E158 PolarHBondContact O-N 3.06Å; A155-M159 VanDerWaalsContact O-CB 3.31Å; A155-M159 WeakPolarHBondContact O-CB 2.77Å; A155-M159 PolarHBondContact O-N 2.85Å
156K93.8Very high90.9Very high159 Ų159108.7 Ų108.769%0.69153%0.526SS*.Hα-helixtrans-68.2-37.6176.4-167.6173.6-175175.10112.2E152 R153 E154 R160E152-K156 VanDerWaalsContact O-CB 3.32Å; E152-K156 WeakPolarHBondContact O-CB 3.37Å; E152-K156 PolarHBondContact O-N 2.7Å; R153-K156 PolarHBondContact O-N 3.22Å; E154-K156 VanDerWaalsContact C-N 3.3Å; E154-K156 PolarHBondContact O-N 2.8Å; K156-R160 WeakPolarHBondContact O-CB 3.44Å; K156-R160 PolarHBondContact O-N 2.93Å
157A91.7Very high90.5Very high61 Ų61113 Ų11350%0.50454%0.538SS..Hα-helixtrans-66.8-43.2175.600000111.5R153 E154 R160 R161R153-A157 WeakPolarHBondContact O-CB 3.46Å; R153-A157 PolarHBondContact O-N 3.4Å; E154-A157 PolarHBondContact O-N 3.14Å; E154-A157 VanDerWaalsContact O-N 3.15Å; A157-R160 PolarHBondContact O-N 3.07Å; A157-R161 PolarHBondContact O-N 3.37Å
158E92Very high90Very high103 Ų103115.6 Ų115.648%0.48155%0.545SS..Hα-helixtrans-66.2-44177.7-161.9-167.9158.500111.7E154 A155 R160 R161 K162E154-E158 PolarHBondContact O-N 3.14Å; A155-E158 PolarHBondContact O-N 3.06Å; E158-R160 VanDerWaalsContact C-N 3.3Å; E158-R160 PolarHBondContact O-N 2.89Å; E158-R161 PolarHBondContact O-N 3.16Å; E158-K162 HydrophobicContact CG-CD 4.48Å; E158-K162 PolarHBondContact O-N 2.96Å; E158-K162 VanDerWaalsContact OE1-CE 3.3Å; E158-K162 WeakPolarHBondContact OE1-CE 3.43Å; E158-K162 IonicContact OE1-NZ 3.91Å; E158-K162 PolarHBondContact OE1-NZ 2.95Å
159M87.3Confident89.3Confident139 Ų139111.8 Ų111.869%0.68554%0.544SS*.Hα-helixtrans-56.9-45173.6-176.1-168.1-67.800111.1A155 R161 K162 A163A155-M159 VanDerWaalsContact O-CB 3.31Å; A155-M159 WeakPolarHBondContact O-CB 2.77Å; A155-M159 PolarHBondContact O-N 2.85Å; M159-R161 VanDerWaalsContact C-N 3.34Å; M159-R161 PolarHBondContact O-N 2.74Å; M159-K162 PolarHBondContact O-N 3.35Å; M159-A163 VanDerWaalsContact O-CB 3.29Å; M159-A163 WeakPolarHBondContact O-CB 3.46Å; M159-A163 PolarHBondContact O-N 2.89Å
160R90.9Very high88.5Confident176 Ų176115.2 Ų115.266%0.66455%0.552SS**Hα-helixtrans-66.3-35.6178.7-168.8176.2-175-171.21.4112.3K156 A157 E158 K164K156-R160 WeakPolarHBondContact O-CB 3.44Å; K156-R160 PolarHBondContact O-N 2.93Å; A157-R160 PolarHBondContact O-N 3.07Å; E158-R160 VanDerWaalsContact C-N 3.3Å; E158-R160 PolarHBondContact O-N 2.89Å; R160-K164 WeakPolarHBondContact O-CG 3.46Å; R160-K164 PolarHBondContact O-N 2.83Å; R160-K164 VanDerWaalsContact O-N 3.15Å
161R90.1Very high87.6Confident170 Ų170120 Ų12064%0.64256%0.564SS**Hα-helixtrans-67-51.1175.4-176.6179.6172.9170.32.8111.1A157 E158 M159 A163 K164 E165A157-R161 PolarHBondContact O-N 3.37Å; E158-R161 PolarHBondContact O-N 3.16Å; M159-R161 VanDerWaalsContact C-N 3.34Å; M159-R161 PolarHBondContact O-N 2.74Å; R161-A163 VanDerWaalsContact C-N 3.31Å; R161-A163 PolarHBondContact O-N 2.82Å; R161-K164 PolarHBondContact O-N 2.97Å; R161-K164 VanDerWaalsContact O-N 3.15Å; R161-E165 WeakPolarHBondContact CG-OE1 3.48Å; R161-E165 IonicContact CZ-OE1 3.33Å; R161-E165 IonicContact NE-OE1 3.1Å; R161-E165 PolarHBondContact NE-OE1 2.94Å; R161-E165 IonicContact NH2-OE1 2.68Å; R161-E165 WeakPolarHBondContact O-CG 3.4Å; R161-E165 PolarHBondContact O-N 3.32Å
162K89.6Confident86.7Confident116 Ų116118 Ų11850%0.50456%0.557SS.*Hα-helixtrans-59.2-40.6176.6-78.2175.9169.7162.90111.9E158 M159 K164 E165 L166E158-K162 HydrophobicContact CG-CD 4.48Å; E158-K162 PolarHBondContact O-N 2.96Å; E158-K162 VanDerWaalsContact OE1-CE 3.3Å; E158-K162 WeakPolarHBondContact OE1-CE 3.43Å; E158-K162 IonicContact OE1-NZ 3.91Å; E158-K162 PolarHBondContact OE1-NZ 2.95Å; M159-K162 PolarHBondContact O-N 3.35Å; K162-K164 PolarHBondContact O-N 2.68Å; K162-E165 PolarHBondContact O-N 3.45Å; K162-L166 WeakPolarHBondContact O-CB 3.4Å; K162-L166 PolarHBondContact O-N 2.82Å
163A87.3Confident85.5Confident56 Ų56114.8 Ų114.846%0.46355%0.548SS..Hα-helixtrans-62-42.4176.100000112.6M159 R161 Q167M159-A163 VanDerWaalsContact O-CB 3.29Å; M159-A163 WeakPolarHBondContact O-CB 3.46Å; M159-A163 PolarHBondContact O-N 2.89Å; R161-A163 VanDerWaalsContact C-N 3.31Å; R161-A163 PolarHBondContact O-N 2.82Å; A163-Q167 WeakPolarHBondContact O-CB 3.34Å; A163-Q167 PolarHBondContact O-N 2.81Å
164K90Very high84.2Confident124 Ų124116 Ų11654%0.53956%0.56SS.*Hα-helixtrans-64.8-44.2175.4-75.6178.4177-174.40112R160 R161 K162 Q167 Q168R160-K164 WeakPolarHBondContact O-CG 3.46Å; R160-K164 PolarHBondContact O-N 2.83Å; R160-K164 VanDerWaalsContact O-N 3.15Å; R161-K164 PolarHBondContact O-N 2.97Å; R161-K164 VanDerWaalsContact O-N 3.15Å; K162-K164 PolarHBondContact O-N 2.68Å; K164-Q167 PolarHBondContact O-N 2.83Å; K164-Q168 WeakPolarHBondContact O-CB 3.38Å; K164-Q168 PolarHBondContact O-N 2.77Å
165E86.1Confident82.9Confident99 Ų99119 Ų11946%0.46357%0.566SS.*Hα-helixtrans-61.6-43.6177.5-72.5172.6-172.800111.4R161 K162 Q168 A169R161-E165 WeakPolarHBondContact CG-OE1 3.48Å; R161-E165 IonicContact CZ-OE1 3.33Å; R161-E165 IonicContact NE-OE1 3.1Å; R161-E165 PolarHBondContact NE-OE1 2.94Å; R161-E165 IonicContact NH2-OE1 2.68Å; R161-E165 WeakPolarHBondContact O-CG 3.4Å; R161-E165 PolarHBondContact O-N 3.32Å; K162-E165 PolarHBondContact O-N 3.45Å; E165-Q168 PolarHBondContact O-N 2.85Å; E165-A169 WeakPolarHBondContact O-CB 3.45Å; E165-A169 PolarHBondContact O-N 2.82Å
166L79.7Confident81.4Confident105 Ų105119.8 Ų119.855%0.5557%0.568SS.*Hα-helixtrans-69.2-35.2179.2-142.1144.8000112.1K162 R170K162-L166 WeakPolarHBondContact O-CB 3.4Å; K162-L166 PolarHBondContact O-N 2.82Å; L166-R170 WeakPolarHBondContact O-CG 3.48Å; L166-R170 PolarHBondContact O-N 2.87Å
167Q81.1Confident79.6Confident143 Ų143115.6 Ų115.667%0.66857%0.57SS**Hα-helixtrans-68.2-40.8173.7-171177.617.600111.8A163 K164 R170 R171A163-Q167 WeakPolarHBondContact O-CB 3.34Å; A163-Q167 PolarHBondContact O-N 2.81Å; K164-Q167 PolarHBondContact O-N 2.83Å; Q167-R170 PolarHBondContact O-N 3.48Å; Q167-R171 WeakPolarHBondContact O-CB 3.31Å; Q167-R171 PolarHBondContact O-N 2.79Å
168Q81.9Confident77.7Confident124 Ų124120.8 Ų120.858%0.57958%0.581SS**Hα-helixtrans-66.7-43.6176.4-170.3166.7-5.600111.2K164 E165 R170 R171 D172K164-Q168 WeakPolarHBondContact O-CB 3.38Å; K164-Q168 PolarHBondContact O-N 2.77Å; E165-Q168 PolarHBondContact O-N 2.85Å; Q168-R170 VanDerWaalsContact C-N 3.35Å; Q168-R170 PolarHBondContact O-N 2.93Å; Q168-R171 PolarHBondContact O-N 3.02Å; Q168-R171 VanDerWaalsContact O-N 3.12Å; Q168-D172 PolarHBondContact O-N 2.8Å
169A79.4Confident75.6Confident60 Ų60125.7 Ų125.750%0.49660%0.6SS.*Hα-helixtrans-60.2-40.3174.300000112.8E165 A173E165-A169 WeakPolarHBondContact O-CB 3.45Å; E165-A169 PolarHBondContact O-N 2.82Å; A169-A173 VanDerWaalsContact O-CB 3.3Å; A169-A173 WeakPolarHBondContact O-CB 3.48Å; A169-A173 PolarHBondContact O-N 2.83Å
170R77.2Confident74Confident182 Ų182124.5 Ų124.569%0.68760%0.601SS**Hα-helixtrans-62.7-43172.9-79.5-175.9179-171.50.6112.1L166 Q167 Q168 A173 E174L166-R170 WeakPolarHBondContact O-CG 3.48Å; L166-R170 PolarHBondContact O-N 2.87Å; Q167-R170 PolarHBondContact O-N 3.48Å; Q168-R170 VanDerWaalsContact C-N 3.35Å; Q168-R170 PolarHBondContact O-N 2.93Å; R170-A173 PolarHBondContact O-N 2.88Å; R170-E174 PolarHBondContact O-N 2.85Å
171R75.4Confident71.8Confident156 Ų156121.7 Ų121.759%0.58961%0.605SS**Hα-helixtrans-67.6-37.3-180-165.5174.7-170.2161.13.2112.4Q167 Q168 R175Q167-R171 WeakPolarHBondContact O-CB 3.31Å; Q167-R171 PolarHBondContact O-N 2.79Å; Q168-R171 PolarHBondContact O-N 3.02Å; Q168-R171 VanDerWaalsContact O-N 3.12Å; R171-R175 WeakPolarHBondContact O-CG 3.27Å; R171-R175 PolarHBondContact O-N 3.23Å; R171-R175 VanDerWaalsContact O-N 3.07Å
172D73.2Confident69.7Low80 Ų80118.5 Ų118.543%0.42862%0.616SS.*Hα-helixtrans-73-35.3176.3-68.1-21.6000111.4Q168 R175 S176Q168-D172 PolarHBondContact O-N 2.8Å; D172-R175 PolarHBondContact O-N 3.15Å; D172-S176 WeakPolarHBondContact O-CB 3.2Å; D172-S176 PolarHBondContact O-N 2.88Å
173A69.1Low67.5Low37 Ų37123 Ų12331%0.30664%0.636SS.*Hα-helixtrans-63.1-43.2171.600000112.1A169 R170 S176A169-A173 VanDerWaalsContact O-CB 3.3Å; A169-A173 WeakPolarHBondContact O-CB 3.48Å; A169-A173 PolarHBondContact O-N 2.83Å; R170-A173 PolarHBondContact O-N 2.88Å; A173-S176 PolarHBondContact O-N 2.96Å; A173-S176 PolarHBondContact O-OG 2.84Å
174E66.8Low65.3Low163 Ų163123.7 Ų123.776%0.76265%0.648SS**Hα-helixtrans-62.1-39.9173.4-84.8-179157.300112.7R170 S176R170-E174 PolarHBondContact O-N 2.85Å; E174-S176 VanDerWaalsContact C-N 3.35Å
175R66.4Low62.8Low189 Ų189121 Ų12171%0.71366%0.655SS**Hα-helixtrans-70.8-27.3176.8-78.1179169.1-177.4-4.9113.6R171 D172 G177R171-R175 WeakPolarHBondContact O-CG 3.27Å; R171-R175 PolarHBondContact O-N 3.23Å; R171-R175 VanDerWaalsContact O-N 3.07Å; D172-R175 PolarHBondContact O-N 3.15Å; R175-G177 VanDerWaalsContact C-N 3.29Å; R175-G177 PolarHBondContact O-N 3.34Å
176S60Low60.2Low74 Ų74126.8 Ų126.852%0.51768%0.679SS.*THydrogen-bonded Turntrans-79.4-3.3-178.779.60000114.8D172 A173 E174 K178D172-S176 WeakPolarHBondContact O-CB 3.2Å; D172-S176 PolarHBondContact O-N 2.88Å; A173-S176 PolarHBondContact O-N 2.96Å; A173-S176 PolarHBondContact O-OG 2.84Å; E174-S176 VanDerWaalsContact C-N 3.35Å; S176-K178 PolarHBondContact O-N 3.2Å
177G56.4Low57.9Low70 Ų70125 Ų12572%0.72269%0.687SS**THydrogen-bonded Turntrans62.79.4176.700000115.3R175R175-G177 VanDerWaalsContact C-N 3.29Å; R175-G177 PolarHBondContact O-N 3.34Å
178K52.8Low55.6Low171 Ų171125.6 Ų125.674%0.74369%0.694SS**  trans-90.6107.9175-87.5-179.5173.6177.80109.9S176 V180S176-K178 PolarHBondContact O-N 3.2Å; K178-V180 PolarHBondContact O-N 3.19Å; K178-V180 VanDerWaalsContact O-N 3.12Å
179K47.6Very low53.2Low205 Ų205125.3 Ų125.389%0.89170%0.701SS**PPolyproline II helixtrans-51.1117165.2-73.5-177.5177.1179.80109
180V53.3Low51Low114 Ų114127.4 Ų127.469%0.69171%0.712SS**PPolyproline II helixtrans-61.1132.9170.1-174.50000107.9K178 A182K178-V180 PolarHBondContact O-N 3.19Å; K178-V180 VanDerWaalsContact O-N 3.12Å; V180-A182 PolarHBondContact O-N 3.15Å
181P44.7Very low48.8Very low117 Ų117123.5 Ų123.576%0.7671%0.712SS**PPolyproline II helixtrans-64.2123.1175.7-14.327.5000109.7F183P181-F183 PolarHBondContact O-N 3.5Å
182A46Very low46.9Very low104 Ų104124.1 Ų124.186%0.8672%0.724SS**  trans-66.5109.816500000108.8V180V180-A182 PolarHBondContact O-N 3.15Å
183F43.2Very low44.9Very low211 Ų211124.6 Ų124.693%0.92573%0.734SS**  trans-96.599.7161.7-168.1-96.5000107.3P181P181-F183 PolarHBondContact O-N 3.5Å
184G41Very low43.1Very low70 Ų70128 Ų12872%0.72276%0.756SS**  trans-101.4162.7-178.500000113.3
185G37.6Very low41.4Very low67 Ų67124.1 Ų124.169%0.69176%0.759SS**  trans-17896165.800000114.8
186F32Very low39.7Very low220 Ų220120.6 Ų120.697%0.96576%0.763SS**  trans46.8129.6145.9-73.2-96.6000120.5
187G31.9Very low38.5Very low69 Ų69124.4 Ų124.471%0.71178%0.777SS**  cis168.2158.6400000112.1
188N31.4Very low37.3Very low154 Ų154128 Ų12882%0.82478%0.778SS**  trans83.6117.1150.3-123.730.4000121.9
189V32.5Very low36.1Very low118 Ų118125.8 Ų125.872%0.71578%0.779SS**  trans46.2132.2147.8-98.70000118.8
190S32.3Very low35.5Very low104 Ų104123.3 Ų123.373%0.72778%0.776SS**  cis-177.7155.837.336.80000109.8
191S32Very low34.4Very low100 Ų100124.1 Ų124.170%0.69978%0.781SS**  trans70101.4151.3-161.70000116.9
192M34.4Very low34Very low169 Ų169126.2 Ų126.283%0.83378%0.784SS**  67.112379.3-158.1163.58400109.9
193S31.8Very low33.5Very low91 Ų91127.8 Ų127.864%0.63678%0.782SS**  cis-171.6162.518.336.80000110.5
194S31.1Very low33Very low109 Ų109126.1 Ų126.176%0.76278%0.778SS**  trans57.8118138.456.20000119.7
195G32.1Very low32.9Very low80 Ų80128.6 Ų128.683%0.82578%0.781SS**  trans-71.6168.1162.600000113.8
196S30Very low32.6Very low115 Ų115134.5 Ų134.580%0.80479%0.791SS**  trans-166.6150.8138.8-173.20000108.3
197L33.6Very low33.1Very low154 Ų154133.6 Ų133.681%0.80679%0.786SS**  trans-57.2162.1172.6-65.1127.1000112.7
198I31.8Very low33.3Very low147 Ų147136.4 Ų136.475%0.75479%0.792SS**  trans137.7124.3130.4-67176000113.8
199T29.1Very low33.4Very low124 Ų124138.8 Ų138.876%0.76180%0.795SS**  trans76.8133.3150.456.90000124.3
200D34.3Very low33.5Very low153 Ų153141 Ų14182%0.81880%0.801SS**  trans-40.9138.3162.8-67.9-53.7000115.2
201T30.3Very low33.6Very low131 Ų131142.1 Ų142.180%0.80480%0.804SS**  trans-147.1121.4144.3-390000109.3
202I36.7Very low33.8Very low161 Ų161143.3 Ų143.383%0.82681%0.809SS**  trans-65.8125.2171.8-64.7157.8000108.5
203V34Very low34Very low136 Ų136139.6 Ų139.682%0.82481%0.805SS**  trans-140.9125.9156.5-1780000109.1
204E34.1Very low34.2Very low176 Ų176141.3 Ų141.382%0.82281%0.814SS**PPolyproline II helixtrans-69.9151.1-178.6-166.4169-176.400112.3
205P37.9Very low34.5Very low122 Ų122143 Ų14379%0.79282%0.82SS**PPolyproline II helixtrans-89126.2-165.632.8-31.6000113.6
206E32.3Very low34.7Very low192 Ų192150.7 Ų150.790%0.89782%0.824SS**PPolyproline II helixtrans-85.8133160.7-84.5-167.5151.400111.6
207K42.1Very low34.8Very low201 Ų201150.4 Ų150.487%0.87482%0.822SS**PPolyproline II helixtrans-63.9133.3178.2-72.9174.4175.8174.40112.5
208P36.1Very low35Very low128 Ų128149 Ų14983%0.83183%0.825SS**PPolyproline II helixtrans-86.8134.7162.6-7.825.6000112.4
209K32.3Very low35.1Very low203 Ų203145.4 Ų145.488%0.88382%0.824SS**PPolyproline II helixtrans-66.3150173.7-78.3170.3174.1170.80112.8
210I35.9Very low35.5Very low166 Ų166145.8 Ų145.885%0.85183%0.829SS**PPolyproline II helixtrans-60.7134.9174.8-60.9159.8000111.1
211T34.6Very low35.8Very low126 Ų126144 Ų14477%0.77383%0.828SS**  trans-122.2148.3159.342.60000110.8
212P36.3Very low36Very low125 Ų125147.7 Ų147.781%0.81283%0.833SS**PPolyproline II helixtrans-83.2151.5-163.2-7.726.7000114
213A37.2Very low35.7Very low91 Ų91144 Ų14475%0.75283%0.827SS**PPolyproline II helixtrans-66.8146.9-178.100000114.1
214P36.7Very low35.7Very low128 Ų128146.1 Ų146.183%0.83183%0.832SS**PPolyproline II helixtrans-89.5132.4171.833.5-28.3000111.7
215V37.9Very low36.1Very low144 Ų144146.4 Ų146.487%0.87383%0.831SS**PPolyproline II helixtrans-72.9136.8173.7-150.90000109.7
216R35.2Very low36Very low241 Ų241148.5 Ų148.591%0.90983%0.834SS**  trans-132.4146.5165-93.8-171.4177176.40.1113.8
217S32.8Very low36Very low110 Ų110142.8 Ų142.877%0.76983%0.827SS**  trans-66.4151.6-163.147.90000117.5
218S36.7Very low36.1Very low125 Ų125138 Ų13887%0.87483%0.826SS**  trans-52.9132.5162.852.10000114.5
219G35.3Very low36.3Very low70 Ų70140.6 Ų140.672%0.72282%0.824SS**  trans-145.5157.7165.600000110.8
220P37.3Very low36.9Very low133 Ų133134.1 Ų134.186%0.86481%0.814SS**  trans-90.7156.5-146.634.7-34.8000115.6
221S39.6Very low37.3Very low114 Ų114133.6 Ų133.680%0.79781%0.806SS**  trans-79.2137.9179.845.80000114.1
222K35.8Very low37.8Very low209 Ų209135.5 Ų135.591%0.90981%0.806SS**  trans151.1130.9155.6-90169.8-177.6-177.10106.7
223A30.6Very low38.4Very low85 Ų85134.4 Ų134.470%0.70280%0.797SS**  cis-167.5158.77.800000106.7
224L33.9Very low38.9Very low180 Ų180135.1 Ų135.194%0.94279%0.788SS**  173.4143.1120.7-88.9164.3000110.8
225K41.5Very low39.5Very low181 Ų181134.7 Ų134.779%0.78778%0.778SS**  trans-113.1160.1-164.6-168.7-173.8-178.5177.90107.9
226L36.4Very low40Very low166 Ų166134.2 Ų134.287%0.86977%0.765SS**  trans89.5137165-51.6158.7000114.7
227G31.8Very low41Very low73 Ų73125.4 Ų125.475%0.75374%0.738SS**  cis-170.9163.79.100000112.1
228A45Very low42.2Very low101 Ų101124.7 Ų124.784%0.83573%0.725SS**  trans-68.6138179.700000112.8
229K39.2Very low43.3Very low182 Ų182124.4 Ų124.479%0.79171%0.71SS**  trans-148.4102.8152.9-77.4-165.9178.4170.90111.2K231K229-K231 PolarHBondContact O-N 3.18Å
230G45.1Very low44Very low66 Ų66123 Ų12368%0.6869%0.686SS**THydrogen-bonded Turntrans-76.657.1164.400000112.4
231K44.9Very low44.9Very low155 Ų155123.2 Ų123.267%0.67467%0.673SS**THydrogen-bonded Turntrans-113.1-6.4175.7-83.2-168.6172.4-168.50114K229K229-K231 PolarHBondContact O-N 3.18Å
232E45.5Very low45.6Very low167 Ų167122.1 Ų122.178%0.7867%0.666SS**Hα-helixtrans-89.2-22.7-179.8-65.4-173.5169.300112.7F236E232-F236 PolarHBondContact O-N 3.05Å
233V47.3Very low46.8Very low102 Ų102118.7 Ų118.762%0.61865%0.653SS**Hα-helixtrans-72.4-37.7-179.2-171.10000111.6F236 V237V233-F236 PolarHBondContact O-N 3.43Å; V233-V237 WeakPolarHBondContact O-CG2 3.41Å; V233-V237 PolarHBondContact O-N 2.84Å
234D48.9Very low47.3Very low106 Ų106117.9 Ų117.957%0.56765%0.653SS**Hα-helixtrans-70.1-36.7179.2-70.5-27.3000112.4F236 V237 D238D234-F236 VanDerWaalsContact C-N 3.28Å; D234-F236 PolarHBondContact O-N 3.04Å; D234-V237 PolarHBondContact O-N 2.82Å; D234-D238 PolarHBondContact O-N 3.48Å; D234-D238 VanDerWaalsContact O-N 3.13Å
235N49.7Very low47.5Very low118 Ų118115.6 Ų115.663%0.63164%0.637SS**Hα-helixtrans-67-29.2176.8-77.9-16.7000112.6Q239N235-Q239 WeakPolarHBondContact O-CB 3.28Å; N235-Q239 PolarHBondContact O-N 2.93Å
236F47.1Very low47.1Very low135 Ų135113.7 Ų113.759%0.59264%0.641SS**Hα-helixtrans-77.3-38.8177.4-175.5-107.7000112.1E232 V233 D234 Q239 L240E232-F236 PolarHBondContact O-N 3.05Å; V233-F236 PolarHBondContact O-N 3.43Å; D234-F236 VanDerWaalsContact C-N 3.28Å; D234-F236 PolarHBondContact O-N 3.04Å; F236-Q239 PolarHBondContact O-N 2.77Å; F236-L240 HydrophobicContact CD1-CD1 4.05Å; F236-L240 HydrophobicContact CE1-CD1 3.63Å; F236-L240 HydrophobicContact CZ-CD1 4.04Å; F236-L240 PolarHBondContact O-N 2.86Å
237V56.6Low46.9Very low55 Ų55111 Ų11133%0.33363%0.626SS.*Hα-helixtrans-68.3-36.4178.11740000111.9V233 D234 Q239 K241V233-V237 WeakPolarHBondContact O-CG2 3.41Å; V233-V237 PolarHBondContact O-N 2.84Å; D234-V237 PolarHBondContact O-N 2.82Å; V237-Q239 VanDerWaalsContact C-N 3.34Å; V237-K241 PolarHBondContact O-N 2.92Å
238D59Low47Very low96 Ų96114.8 Ų114.851%0.51363%0.628SS.*Hα-helixtrans-72.6-28176.1-80.1-15.6000112.8D234 K241 S242D234-D238 PolarHBondContact O-N 3.48Å; D234-D238 VanDerWaalsContact O-N 3.13Å; D238-K241 IonicContact OD1-NZ 2.85Å; D238-S242 PolarHBondContact O-N 3.42Å
239Q59.1Low46.2Very low119 Ų119115 Ų11556%0.55662%0.623SS**Hα-helixtrans-71.8-37175.7-161.3150.53.300112N235 F236 V237 S242 E243N235-Q239 WeakPolarHBondContact O-CB 3.28Å; N235-Q239 PolarHBondContact O-N 2.93Å; F236-Q239 PolarHBondContact O-N 2.77Å; V237-Q239 VanDerWaalsContact C-N 3.34Å; Q239-S242 PolarHBondContact O-N 2.97Å; Q239-S242 PolarHBondContact O-OG 3.5Å; Q239-E243 PolarHBondContact O-N 3Å
240L50.2Low45.7Very low41 Ų41112 Ų11222%0.21563%0.625CS.*Hα-helixtrans-68.5-32.9174.6-71.3169.4000113.4F236 S242 E243 I247F236-L240 HydrophobicContact CD1-CD1 4.05Å; F236-L240 HydrophobicContact CE1-CD1 3.63Å; F236-L240 HydrophobicContact CZ-CD1 4.04Å; F236-L240 PolarHBondContact O-N 2.86Å; L240-S242 VanDerWaalsContact C-N 3.31Å; L240-E243 PolarHBondContact O-N 2.94Å; L240-I247 HydrophobicContact CB-CD1 4.2Å; L240-I247 HydrophobicContact CD1-CD1 4.23Å
241K55.3Low45Very low137 Ų137113.9 Ų113.960%0.59663%0.628SS**Hα-helixtrans-67.8-33.2171.8-70.9174.7-1721640112.2V237 D238 E243 G244V237-K241 PolarHBondContact O-N 2.92Å; D238-K241 IonicContact OD1-NZ 2.85Å; K241-E243 VanDerWaalsContact C-N 3.26Å; K241-E243 PolarHBondContact O-N 3.12Å; K241-G244 PolarHBondContact O-N 3.29Å
242S54.4Low44.4Very low91 Ų91109.9 Ų109.964%0.63663%0.631SS**Hα-helixtrans-73.7-17.8179.375.30000113.7D238 Q239 L240D238-S242 PolarHBondContact O-N 3.42Å; Q239-S242 PolarHBondContact O-N 2.97Å; Q239-S242 PolarHBondContact O-OG 3.5Å; L240-S242 VanDerWaalsContact C-N 3.31Å
243E61.6Low43.7Very low136 Ų136112.2 Ų112.264%0.63664%0.638SS**THydrogen-bonded Turntrans-95.63.1177.6-68-178.3177.700113.5Q239 L240 K241Q239-E243 PolarHBondContact O-N 3Å; L240-E243 PolarHBondContact O-N 2.94Å; K241-E243 VanDerWaalsContact C-N 3.26Å; K241-E243 PolarHBondContact O-N 3.12Å
244G40.1Very low42.9Very low68 Ų68119 Ų11970%0.70165%0.653SS**THydrogen-bonded Turntrans82.813.3168.500000115.9K241K241-G244 PolarHBondContact O-N 3.29Å
245E38Very low42Very low133 Ų133116.7 Ų116.762%0.62165%0.654SS**  trans-86.1122.7175.4-79.8-169.1152.600112.4I247E245-I247 PolarHBondContact O-N 2.86Å
246T33.1Very low41Very low141 Ų141116.2 Ų116.287%0.86566%0.66SS**  trans-74.4105.1170.218.50000111I248T246-I248 PolarHBondContact O-N 3.29Å
247I34Very low40.4Very low109 Ų109117.7 Ų117.756%0.55967%0.674SS**  trans-84.8107172.7-56.7172.2000109L240 E245L240-I247 HydrophobicContact CB-CD1 4.2Å; L240-I247 HydrophobicContact CD1-CD1 4.23Å; E245-I247 PolarHBondContact O-N 2.86Å
248I33.3Very low39.2Very low152 Ų152120.8 Ų120.878%0.77969%0.692SS**  trans-86.1114.6166.8-58169.6000107.6T246 S250T246-I248 PolarHBondContact O-N 3.29Å; I248-S250 PolarHBondContact O-N 3.47Å
249S28.3Very low38.1Very low106 Ų106121.5 Ų121.574%0.74171%0.705SS**  trans-81.797.7175.347.20000110.8S251S249-S251 PolarHBondContact O-N 2.9Å
250S27.6Very low36.9Very low119 Ų119123.4 Ų123.483%0.83271%0.712SS**  trans-87.793.5172.960.60000111.2I248I248-S250 PolarHBondContact O-N 3.47Å
251S31.8Very low36.2Very low106 Ų106126.7 Ų126.774%0.74173%0.733SS**  trans-103.7115.3162.354.10000109.7S249S249-S251 PolarHBondContact O-N 2.9Å
252G30.7Very low35.2Very low71 Ų71127.2 Ų127.273%0.73274%0.741SS**  trans-166.8106.9177.900000112.9
253K31.3Very low34.7Very low216 Ų216127.1 Ų127.194%0.93974%0.739SS**PPolyproline II helixtrans-63.7127.5169.5-72.3172.6174.6174.20109.8
254R30.4Very low33.9Very low245 Ų245125.1 Ų125.193%0.92574%0.737SS**PPolyproline II helixtrans-97116.7167.2-76.9-174.2-177.9-179.30.8109.9
255G30.7Very low34.3Very low57 Ų57127.9 Ų127.959%0.58874%0.743SS**PPolyproline II helixtrans-86.6156.3162.500000110.8
256S28.9Very low35.5Very low108 Ų108124.4 Ų124.476%0.75573%0.731SS**PPolyproline II helixtrans-48.6148.5-175.544.90000116.2V258S256-V258 PolarHBondContact O-N 3.3Å
257D34.4Very low37.3Very low166 Ų166124.6 Ų124.689%0.88873%0.727SS**  trans-60.5111176.3-76-50.4000113.1
258V31.3Very low39.7Very low119 Ų119124 Ų12472%0.72173%0.728SS**SBendtrans-138.5123.5139.5-175.70000105.1S256 K260S256-V258 PolarHBondContact O-N 3.3Å; V258-K260 PolarHBondContact O-N 3.44Å
259S36.2Very low42.4Very low112 Ų112119.6 Ų119.678%0.78370%0.704SS**  trans11.990.4172.3-490000116.9
260K33.5Very low45.3Very low159 Ų159116 Ų11669%0.69168%0.679SS**  trans-98.196.1165.2-76-175.9179.1176.10110.3V258 L262V258-K260 PolarHBondContact O-N 3.44Å; K260-L262 PolarHBondContact O-N 2.86Å
261V36.2Very low48.4Very low109 Ų109110.3 Ų110.366%0.66164%0.639SS**  trans-65.8112.6143.6-179.90000105.2P263V261-P263 VanDerWaalsContact O-CD 3.28Å; V261-P263 WeakPolarHBondContact O-CD 3.27Å
262L32.8Very low51.4Low148 Ų148105.9 Ų105.978%0.77561%0.607SS**PPolyproline II helixtrans-59.5118.9174.9-75.3163.5000107.8K260K260-L262 PolarHBondContact O-N 2.86Å
263P45.2Very low54.5Low90 Ų90102.5 Ų102.558%0.58457%0.572SS**PPolyproline II helixtrans-60.8145169.223.9-29.6000108.7V261V261-P263 VanDerWaalsContact O-CD 3.28Å; V261-P263 WeakPolarHBondContact O-CD 3.27Å
264P43.8Very low57.5Low93 Ų9396.8 Ų96.860%0.60454%0.544SS*.PPolyproline II helixtrans-55.8150.7177.523.1-32.4000110.2V266P264-V266 PolarHBondContact O-N 2.82Å
265P49Very low60.6Low127 Ų12785.3 Ų85.383%0.82550%0.501SS*.  trans-58.2108.6-17822.4-31.3000109.8N267P265-N267 PolarHBondContact O-N 2.82Å
266V62.8Low63.7Low59 Ų5985 Ų8536%0.35849%0.485SS..  trans-66.8131.5170.4-178.50000106.8P264 V268 E497P264-V266 PolarHBondContact O-N 2.82Å; V266-V268 VanDerWaalsContact O-CG2 3.3Å; V266-V268 WeakPolarHBondContact O-CG2 3.23Å; V266-V268 PolarHBondContact O-N 3.34Å; V266-E497 HydrophobicContact CG2-CB 4.42Å
267N71.1Confident67Low146 Ų14679.9 Ų79.978%0.78145%0.449SS*.  trans-63105.1170.8-79.6-33000108.5P265 E269 S495P265-N267 PolarHBondContact O-N 2.82Å; N267-E269 PolarHBondContact O-N 2.93Å; N267-S495 WeakPolarHBondContact O-CB 3.45Å
268V83.7Confident70Confident97 Ų9775.5 Ų75.559%0.58842%0.422SS*.  trans-82.6111.6-176.2-173.80000109.2V266 H272V266-V268 VanDerWaalsContact O-CG2 3.3Å; V266-V268 WeakPolarHBondContact O-CG2 3.23Å; V266-V268 PolarHBondContact O-N 3.34Å; V268-H272 HydrophobicContact CG1-CB 3.81Å
269E90.3Very high73.1Confident58 Ų5869.9 Ų69.927%0.27139%0.388SS..  trans-76167.6170.8-66.4-73.2-179.100111N267 V271 R493 S495N267-E269 PolarHBondContact O-N 2.93Å; E269-V271 PolarHBondContact O-N 2.85Å; E269-V271 VanDerWaalsContact O-N 3.12Å; E269-R493 WeakPolarHBondContact OE1-CD 3.33Å; E269-R493 IonicContact OE1-CZ 2.88Å; E269-R493 IonicContact OE1-NE 2.7Å; E269-R493 PolarHBondContact OE1-NE 3.39Å; E269-R493 IonicContact OE1-NH1 3.68Å; E269-S495 PolarHBondContact N-OG 3.19Å
270S90.1Very high76.1Confident30 Ų3066.5 Ų66.521%0.2136%0.361CS..SBendtrans-59.5-25.5179.562.60000114.6V302 T303 N307S270-V302 WeakPolarHBondContact O-CA 3.45Å; S270-T303 WeakPolarHBondContact CA-OG1 3.45Å; S270-T303 PolarHBondContact O-N 2.82Å; S270-T303 PolarHBondContact O-OG1 2.81Å; S270-N307 PolarHBondContact OG-ND2 3.31Å
271V93.1Very high79.1Confident0 Ų059 Ų590%033%0.328CS..EExtended strand (participates in β ladder)trans-111.6119.2166.7179.70000107.3E269 L300 N307 I310 V483 V492 F494 S495E269-V271 PolarHBondContact O-N 2.85Å; E269-V271 VanDerWaalsContact O-N 3.12Å; V271-L300 HydrophobicContact CG1-CD1 3.69Å; V271-N307 HydrophobicContact CG2-CB 3.7Å; V271-I310 HydrophobicContact CG1-CD1 3.88Å; V271-I310 HydrophobicContact CG2-CD1 4.05Å; V271-V483 HydrophobicContact CG1-CG1 4.37Å; V271-V492 HydrophobicContact CG2-CG1 3.87Å; V271-F494 HydrophobicContact CB-CB 3.99Å; V271-F494 HydrophobicContact CG1-CB 3.94Å; V271-F494 VanDerWaalsContact O-CA 3.27Å; V271-F494 WeakPolarHBondContact O-CA 3.26Å; V271-F494 WeakPolarHBondContact O-CB 3.44Å; V271-S495 PolarHBondContact O-N 3.08Å; V271-S495 PolarHBondContact O-OG 2.87Å
272H94.9Very high81.9Confident14 Ų1454.6 Ų54.67%0.06530%0.302CS..EExtended strand (participates in β ladder)trans-125.2134.2-179.2-176.470.4000110.9V268 R301 S495 E497V268-H272 HydrophobicContact CG1-CB 3.81Å; H272-R301 PolarHBondContact N-O 2.91Å; H272-R301 PolarHBondContact O-N 3.3Å; H272-S495 WeakPolarHBondContact CA-O 3.34Å; H272-S495 PolarHBondContact ND1-OG 3.25Å; H272-E497 IonicContact NE2-OE1 3.57Å; H272-E497 PolarHBondContact NE2-OE1 2.9Å
273L94.9Very high84.8Confident0 Ų047.9 Ų47.90%027%0.268CS..EExtended strand (participates in β ladder)trans-119.1121-178.6-67.6170000110.4V298 T299 L300 L312 V480 V483 F494 S495 S496 E497L273-V298 HydrophobicContact CD2-CG1 4.04Å; L273-T299 CarbonylContact C-O 3.55Å; L273-T299 WeakPolarHBondContact CA-O 3.47Å; L273-L300 HydrophobicContact CD2-CB 4.09Å; L273-L300 HydrophobicContact CD2-CD1 3.68Å; L273-L300 HydrophobicContact CD2-CG 4.49Å; L273-L300 HydrophobicContact CG-CD1 4.49Å; L273-L312 HydrophobicContact CD1-CD2 4.38Å; L273-L312 HydrophobicContact CD2-CD1 4.09Å; L273-L312 HydrophobicContact CD2-CD2 4.12Å; L273-V480 HydrophobicContact CD1-CB 3.73Å; L273-V480 HydrophobicContact CD1-CG1 3.55Å; L273-V480 HydrophobicContact CD1-CG2 3.89Å; L273-V483 HydrophobicContact CD1-CG2 4.3Å; L273-F494 HydrophobicContact CD1-CD2 3.56Å; L273-F494 HydrophobicContact CD1-CE2 3.75Å; L273-F494 HydrophobicContact CD1-CG 4.36Å; L273-F494 HydrophobicContact CG-CD2 4.35Å; L273-S495 PolarHBondContact N-O 2.98Å; L273-S496 CarbonylContact O-C 3.57Å; L273-S496 WeakPolarHBondContact O-CA 3.09Å; L273-S496 PolarHBondContact O-OG 2.77Å; L273-S496 VanDerWaalsContact O-OG 3.05Å; L273-E497 PolarHBondContact O-N 2.95Å
274R94.5Very high87Confident96 Ų9644 Ų4436%0.36224%0.243SC..EExtended strand (participates in β ladder)trans-100.9120.6168.8178.3179.7-61.4157.66.7109.5V298 T299 E497R274-V298 CarbonylContact O-C 3.59Å; R274-V298 WeakPolarHBondContact O-CA 3.44Å; R274-T299 PolarHBondContact N-O 2.72Å; R274-T299 PolarHBondContact O-N 3.45Å; R274-E497 HydrophobicContact CB-CG 4Å; R274-E497 HydrophobicContact CG-CG 4.02Å; R274-E497 IonicContact CZ-OE1 3.53Å; R274-E497 IonicContact NE-OE1 3.19Å; R274-E497 PolarHBondContact NE-OE1 2.9Å; R274-E497 IonicContact NH2-OE1 3.2Å; R274-E497 PolarHBondContact NH2-OE1 3.01Å
275V95.6Very high89Confident3 Ų344.9 Ų44.92%0.01824%0.235CC..EExtended strand (participates in β ladder)trans-108.3109.4174.5-174.80000107.5V298 W361 N474 E497 T498 S499V275-V298 HydrophobicContact CG2-CG2 4.16Å; V275-W361 HydrophobicContact CG1-CH2 3.94Å; V275-W361 HydrophobicContact CG1-CZ2 4.34Å; V275-N474 WeakPolarHBondContact CG1-ND2 3.21Å; V275-E497 PolarHBondContact N-O 2.92Å; V275-T498 HydrophobicContact CB-CG2 4.33Å; V275-T498 HydrophobicContact CG1-CG2 4.4Å; V275-T498 CarbonylContact O-C 3.57Å; V275-T498 VanDerWaalsContact O-CA 3.29Å; V275-T498 WeakPolarHBondContact O-CA 3.4Å; V275-S499 PolarHBondContact O-N 2.68Å
276E95.7Very high90.5Very high51 Ų5145.7 Ų45.724%0.23823%0.232CC..EExtended strand (participates in β ladder)trans-123.7129.5-175.8-175-179.9163.400109.9K278 G296 M297 S499E276-K278 WeakPolarHBondContact OE1-CE 3.21Å; E276-K278 IonicContact OE1-NZ 3.05Å; E276-K278 PolarHBondContact OE1-NZ 3.08Å; E276-G296 CarbonylContact O-C 3.52Å; E276-G296 WeakPolarHBondContact O-CA 3.43Å; E276-M297 PolarHBondContact N-O 2.96Å; E276-M297 PolarHBondContact O-N 2.84Å; E276-S499 CarbonylContact C-O 3.5Å; E276-S499 WeakPolarHBondContact CA-O 3.35Å
277E97.1Very high91.2Very high0 Ų044 Ų440%023%0.226CC..EExtended strand (participates in β ladder)trans-120.7141.8173.5-67.1-165140.300111.1V294 L295 W361 N474 Y475 C476 S499 F500 V501E277-V294 HydrophobicContact CB-CG1 4.38Å; E277-L295 CarbonylContact C-O 3.56Å; E277-L295 WeakPolarHBondContact CA-O 3.32Å; E277-W361 HydrophobicContact CG-CZ2 3.75Å; E277-W361 WeakPolarHBondContact OE1-CZ2 3.41Å; E277-W361 PolarHBondContact OE1-NE1 3.02Å; E277-N474 WeakPolarHBondContact OE2-CA 3.49Å; E277-N474 WeakPolarHBondContact OE2-CB 3.35Å; E277-Y475 WeakPolarHBondContact OE2-CB 3.4Å; E277-Y475 PolarHBondContact OE2-N 3.3Å; E277-C476 WeakPolarHBondContact OE1-CB 3.44Å; E277-C476 PolarHBondContact OE1-N 3.16Å; E277-C476 PolarHBondContact OE1-SG 2.98Å; E277-C476 PolarHBondContact OE2-N 3.29Å; E277-S499 PolarHBondContact N-O 3.42Å; E277-F500 HydrophobicContact CB-CB 4.37Å; E277-F500 HydrophobicContact CB-CD2 3.64Å; E277-F500 HydrophobicContact CB-CE2 4.41Å; E277-F500 HydrophobicContact CB-CG 4.43Å; E277-F500 WeakPolarHBondContact O-CA 3.29Å; E277-V501 PolarHBondContact O-N 2.96Å
278K97.5Very high92.1Very high75 Ų7537.7 Ų37.733%0.32620%0.196SC..EExtended strand (participates in β ladder)trans-127.4127.7177.2-60.2-167.1-179.2-1730110.5E276 V294 L295 V501 D503E276-K278 WeakPolarHBondContact OE1-CE 3.21Å; E276-K278 IonicContact OE1-NZ 3.05Å; E276-K278 PolarHBondContact OE1-NZ 3.08Å; K278-V294 CarbonylContact O-C 3.57Å; K278-V294 WeakPolarHBondContact O-CA 3.49Å; K278-L295 PolarHBondContact N-O 2.83Å; K278-L295 PolarHBondContact O-N 2.87Å; K278-V501 VanDerWaalsContact CA-O 3.28Å; K278-V501 WeakPolarHBondContact CA-O 3.28Å; K278-V501 HydrophobicContact CD-CG2 4.47Å; K278-V501 HydrophobicContact CG-CG2 3.86Å; K278-D503 HydrophobicContact CB-CB 4.26Å; K278-D503 HydrophobicContact CD-CB 4.48Å
279I97.6Very high92.5Very high0 Ų033.8 Ų33.80%017%0.172CC..EExtended strand (participates in β ladder)trans-98135.8172.7-173.7164.9000111.5L281 M292 E293 V294 P372 F469 F500 V501 V502 D503 K504 Y505I279-L281 HydrophobicContact CD1-CB 4.31Å; I279-L281 HydrophobicContact CD1-CD1 4.29Å; I279-L281 HydrophobicContact CG1-CB 4.16Å; I279-M292 HydrophobicContact CD1-CE 3.82Å; I279-M292 HydrophobicContact CD1-CG 4.39Å; I279-M292 HydrophobicContact CD1-SD 4.37Å; I279-E293 WeakPolarHBondContact CA-O 3.43Å; I279-V294 HydrophobicContact CB-CG2 4.38Å; I279-V294 HydrophobicContact CD1-CG2 4.37Å; I279-V294 HydrophobicContact CG1-CG2 4.19Å; I279-P372 HydrophobicContact CD1-CG 3.64Å; I279-F469 HydrophobicContact CG2-CZ 4.13Å; I279-F500 HydrophobicContact CB-CE2 3.66Å; I279-F500 HydrophobicContact CB-CZ 3.77Å; I279-F500 HydrophobicContact CD1-CZ 4.19Å; I279-F500 HydrophobicContact CG2-CE2 3.78Å; I279-F500 HydrophobicContact CG2-CZ 3.69Å; I279-V501 PolarHBondContact N-O 3.24Å; I279-V502 HydrophobicContact CG2-CB 4.3Å; I279-V502 HydrophobicContact CG2-CG1 4.49Å; I279-V502 HydrophobicContact CG2-CG2 3.89Å; I279-D503 PolarHBondContact O-N 3.18Å; I279-K504 PolarHBondContact O-N 3.48Å; I279-Y505 HydrophobicContact CD1-CD2 4.36Å; I279-Y505 HydrophobicContact CD1-CE2 4.1Å; I279-Y505 HydrophobicContact CG2-CD2 4.4Å
280L97.8Very high92.7Very high42 Ų4235.9 Ų35.922%0.2218%0.182CC..EExtended strand (participates in β ladder)trans-120.6113.9167.3-66.290.6000107.6M292 E293 L295 D503 K504L280-M292 CarbonylContact O-C 3.39Å; L280-M292 WeakPolarHBondContact O-CA 3.34Å; L280-E293 HydrophobicContact CB-CB 4.37Å; L280-E293 PolarHBondContact N-O 2.8Å; L280-E293 PolarHBondContact O-N 3.38Å; L280-L295 HydrophobicContact CD1-CD1 4.21Å; L280-D503 HydrophobicContact CD1-CB 4.16Å; L280-D503 HydrophobicContact CG-CB 4.13Å; L280-K504 CarbonylContact C-O 3.57Å; L280-K504 WeakPolarHBondContact CA-O 3.3Å; L280-K504 HydrophobicContact CG-CB 4.43Å
281L96.8Very high92.9Very high1 Ų137 Ų371%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-134.9135.9-177.1-179.7152000110.8I279 C283 L289 N291 M292 I371 K504 Y505 V506I279-L281 HydrophobicContact CD1-CB 4.31Å; I279-L281 HydrophobicContact CD1-CD1 4.29Å; I279-L281 HydrophobicContact CG1-CB 4.16Å; L281-C283 HydrophobicContact CD2-CB 4.41Å; L281-C283 WeakPolarHBondContact CD2-SG 3.44Å; L281-L289 HydrophobicContact CD1-CD1 4.15Å; L281-L289 HydrophobicContact CG-CD1 3.93Å; L281-N291 WeakPolarHBondContact CA-O 3.45Å; L281-M292 HydrophobicContact CD1-CB 4.4Å; L281-M292 HydrophobicContact CD1-CG 4.25Å; L281-M292 HydrophobicContact CD1-SD 4.09Å; L281-I371 HydrophobicContact CD1-CG1 4.21Å; L281-I371 HydrophobicContact CD1-CG2 4.08Å; L281-K504 PolarHBondContact N-O 3.32Å; L281-Y505 HydrophobicContact CB-CD2 4Å; L281-Y505 HydrophobicContact CB-CE2 4.12Å; L281-Y505 HydrophobicContact CB-CG 4.28Å; L281-Y505 HydrophobicContact CD1-CD2 4.46Å; L281-Y505 HydrophobicContact CD1-CE1 4.38Å; L281-Y505 HydrophobicContact CD1-CE2 3.75Å; L281-Y505 HydrophobicContact CD2-CD1 3.75Å; L281-Y505 HydrophobicContact CD2-CD2 4.38Å; L281-Y505 HydrophobicContact CD2-CE1 3.5Å; L281-Y505 VanDerWaalsContact CD2-CE1 3.5Å; L281-Y505 HydrophobicContact CD2-CE2 4.15Å; L281-Y505 HydrophobicContact CD2-CG 4.19Å; L281-Y505 HydrophobicContact CG-CE1 4.43Å; L281-Y505 HydrophobicContact CG-CE2 4.23Å; L281-Y505 WeakPolarHBondContact O-CA 3.36Å; L281-V506 PolarHBondContact O-N 2.85Å
282S95.6Very high93.1Very high16 Ų1637 Ų3711%0.11219%0.186CC..EExtended strand (participates in β ladder)trans-131.9118.6173.5-83.20000109.3Q290 N291 K504 V506S282-Q290 WeakPolarHBondContact O-CB 3.41Å; S282-Q290 PolarHBondContact O-N 2.86Å; S282-N291 PolarHBondContact N-O 3.24Å; S282-N291 PolarHBondContact O-N 2.95Å; S282-K504 PolarHBondContact OG-NZ 3.19Å; S282-K504 VanDerWaalsContact OG-NZ 3.14Å; S282-V506 WeakPolarHBondContact CA-O 3.35Å
283C94.2Very high93.2Very high8 Ų837.4 Ų37.45%0.05419%0.187CC..EExtended strand (participates in β ladder)trans-115.1151174.1-67.40000110.6L281 G288 V506 I507 E508L281-C283 HydrophobicContact CD2-CB 4.41Å; L281-C283 WeakPolarHBondContact CD2-SG 3.44Å; C283-G288 CarbonylContact C-O 3.59Å; C283-G288 WeakPolarHBondContact CA-O 3.06Å; C283-V506 PolarHBondContact N-O 2.76Å; C283-I507 HydrophobicContact CB-CG1 4.47Å; C283-I507 WeakPolarHBondContact O-CA 3.33Å; C283-E508 PolarHBondContact O-N 3.47Å
284G91.5Very high93.3Very high7 Ų737.4 Ų37.47%0.07219%0.187CC..  trans-80.3166.7166.200000112.2D286 G287 G288G284-D286 PolarHBondContact O-N 3.17Å; G284-G287 PolarHBondContact O-N 2.81Å; G284-G288 PolarHBondContact N-O 3.15Å
285R85.5Confident93.4Very high113 Ų11336.2 Ų36.243%0.42619%0.188SC..THydrogen-bonded Turntrans-56.3-27.7176.6-52.6-168.1179.6177.3-7.4115.2G287 N460 F463 E508R285-G287 PolarHBondContact O-N 3.31Å; R285-N460 PolarHBondContact NH1-OD1 2.8Å; R285-F463 HydrophobicContact CB-CE1 4.32Å; R285-F463 HydrophobicContact CB-CZ 4.41Å; R285-F463 HydrophobicContact CG-CD1 4.09Å; R285-F463 HydrophobicContact CG-CE1 3.91Å; R285-F463 HydrophobicContact CG-CZ 4.18Å; R285-E508 WeakPolarHBondContact CG-O 3.48Å; R285-E508 PolarHBondContact N-O 2.93Å; R285-E508 VanDerWaalsContact N-O 3.08Å; R285-E508 PolarHBondContact NE-OXT 3.34Å; R285-E508 PolarHBondContact NH2-OXT 2.8Å
286D80.7Confident93.4Very high143 Ų14336.4 Ų36.477%0.76519%0.19SC*.THydrogen-bonded Turntrans-79.21.6178.259.4-22.6000112.9G284 G288G284-D286 PolarHBondContact O-N 3.17Å; D286-G288 PolarHBondContact OD1-N 3.11Å
287G77.8Confident93.5Very high23 Ų2336.5 Ų36.524%0.23719%0.191CC..SBendtrans85-3.7-174.900000113.3G284 R285 L289G284-G287 PolarHBondContact O-N 2.81Å; R285-G287 PolarHBondContact O-N 3.31Å; G287-L289 PolarHBondContact O-N 3.15Å
288G88.4Confident93.4Very high15 Ų1536.5 Ų36.516%0.15519%0.191CC..  trans-66.9126-177.500000112.4C283 G284 D286 Q290 E368C283-G288 CarbonylContact C-O 3.59Å; C283-G288 WeakPolarHBondContact CA-O 3.06Å; G284-G288 PolarHBondContact N-O 3.15Å; D286-G288 PolarHBondContact OD1-N 3.11Å; G288-Q290 PolarHBondContact O-N 2.82Å; G288-E368 WeakPolarHBondContact CA-OE1 3.38Å
289L93.1Very high93.4Very high14 Ų1433.7 Ų33.77%0.07318%0.18CC..EExtended strand (participates in β ladder)trans-75.1112.7179.5-176.260.2000110.6L281 G287 M292 T365 D367 E368 I371L281-L289 HydrophobicContact CD1-CD1 4.15Å; L281-L289 HydrophobicContact CG-CD1 3.93Å; G287-L289 PolarHBondContact O-N 3.15Å; L289-M292 HydrophobicContact CD1-CB 3.99Å; L289-M292 HydrophobicContact CD2-CB 3.81Å; L289-M292 HydrophobicContact CG-CB 4.39Å; L289-T365 HydrophobicContact CD2-CG2 4.48Å; L289-D367 VanDerWaalsContact CD2-O 3.3Å; L289-D367 WeakPolarHBondContact CD2-O 3.36Å; L289-E368 HydrophobicContact CB-CG 3.64Å; L289-E368 PolarHBondContact N-OE1 2.89Å; L289-I371 HydrophobicContact CB-CD1 4.18Å; L289-I371 HydrophobicContact CD1-CD1 4.37Å; L289-I371 HydrophobicContact CD1-CG1 4.24Å; L289-I371 HydrophobicContact CD2-CG1 4.14Å
290Q94Very high93.3Very high103 Ų10333.8 Ų33.848%0.48118%0.181SC..EExtended strand (participates in β ladder)trans-79.2-46.6176.2-59179.8-1.500111.3S282 G288 T366S282-Q290 WeakPolarHBondContact O-CB 3.41Å; S282-Q290 PolarHBondContact O-N 2.86Å; G288-Q290 PolarHBondContact O-N 2.82Å; Q290-T366 WeakPolarHBondContact O-CG2 3.4Å
291N95Very high93.1Very high54 Ų5435.9 Ų35.929%0.28919%0.186SC..EExtended strand (participates in β ladder)trans-162.1135.6176.5-17963.6000110.5L281 S282 Q364L281-N291 WeakPolarHBondContact CA-O 3.45Å; S282-N291 PolarHBondContact N-O 3.24Å; S282-N291 PolarHBondContact O-N 2.95Å; N291-Q364 PolarHBondContact OD1-NE2 2.81Å
292M96.1Very high93Very high0 Ų035.9 Ų35.90%019%0.186CC..EExtended strand (participates in β ladder)trans-126.7132.4167.8174.8178163.700109.7I279 L280 L281 L289 V294 Q364 T365 L370 Y475I279-M292 HydrophobicContact CD1-CE 3.82Å; I279-M292 HydrophobicContact CD1-CG 4.39Å; I279-M292 HydrophobicContact CD1-SD 4.37Å; L280-M292 CarbonylContact O-C 3.39Å; L280-M292 WeakPolarHBondContact O-CA 3.34Å; L281-M292 HydrophobicContact CD1-CB 4.4Å; L281-M292 HydrophobicContact CD1-CG 4.25Å; L281-M292 HydrophobicContact CD1-SD 4.09Å; L289-M292 HydrophobicContact CD1-CB 3.99Å; L289-M292 HydrophobicContact CD2-CB 3.81Å; L289-M292 HydrophobicContact CG-CB 4.39Å; M292-V294 HydrophobicContact CE-CG2 3.54Å; M292-Q364 WeakPolarHBondContact O-CA 3.42Å; M292-T365 HydrophobicContact CB-CG2 3.93Å; M292-T365 HydrophobicContact CG-CG2 4.22Å; M292-T365 PolarHBondContact N-O 2.96Å; M292-T365 PolarHBondContact O-N 2.69Å; M292-T365 HydrophobicContact SD-CG2 4.17Å; M292-L370 VanDerWaalsContact CE-O 3.25Å; M292-L370 WeakPolarHBondContact CE-O 3.31Å; M292-L370 HydrophobicContact SD-CB 4.44Å; M292-Y475 HydrophobicContact CE-CD1 4.48Å; M292-Y475 HydrophobicContact CE-CE1 3.76Å; M292-Y475 HydrophobicContact CE-CE2 3.99Å
293E97.1Very high92.8Very high22 Ų2238 Ų3810%0.10320%0.198CC..EExtended strand (participates in β ladder)trans-130.8128.5173.3-169.3175.6165.400109.7I279 L280 L295 R362 L363I279-E293 WeakPolarHBondContact CA-O 3.43Å; L280-E293 HydrophobicContact CB-CB 4.37Å; L280-E293 PolarHBondContact N-O 2.8Å; L280-E293 PolarHBondContact O-N 3.38Å; E293-L295 HydrophobicContact CG-CD2 4.32Å; E293-L295 HydrophobicContact CG-CG 4.14Å; E293-L295 VanDerWaalsContact OE1-CD2 3.23Å; E293-L295 WeakPolarHBondContact OE1-CD2 3.32Å; E293-R362 HydrophobicContact CG-CG 4.19Å; E293-R362 WeakPolarHBondContact OE1-CD 3.28Å; E293-R362 IonicContact OE1-CZ 3.53Å; E293-R362 IonicContact OE1-NE 2.74Å; E293-R362 PolarHBondContact OE1-NE 3.12Å; E293-R362 IonicContact OE1-NH1 3.06Å; E293-R362 PolarHBondContact OE1-NH1 2.83Å; E293-R362 IonicContact OE1-NH2 2.98Å; E293-R362 PolarHBondContact OE1-NH2 2.98Å; E293-R362 VanDerWaalsContact OE1-NH2 3.16Å; E293-R362 IonicContact OE2-CZ 2.78Å; E293-R362 IonicContact OE2-NE 3.16Å; E293-R362 IonicContact OE2-NH1 3.94Å; E293-R362 IonicContact OE2-NH2 3.9Å; E293-R362 PolarHBondContact OE2-NH2 3.31Å; E293-L363 CarbonylContact C-O 3.58Å; E293-L363 WeakPolarHBondContact CA-O 3.3Å; E293-L363 WeakPolarHBondContact CG-O 3.3Å
294V97.2Very high92.6Very high0 Ų040.4 Ų40.40%021%0.21CC..EExtended strand (participates in β ladder)trans-113.4118.8169.6-175.90000108.2E277 K278 I279 M292 R362 L363 Y475 F500E277-V294 HydrophobicContact CB-CG1 4.38Å; K278-V294 CarbonylContact O-C 3.57Å; K278-V294 WeakPolarHBondContact O-CA 3.49Å; I279-V294 HydrophobicContact CB-CG2 4.38Å; I279-V294 HydrophobicContact CD1-CG2 4.37Å; I279-V294 HydrophobicContact CG1-CG2 4.19Å; M292-V294 HydrophobicContact CE-CG2 3.54Å; V294-R362 CarbonylContact O-C 3.36Å; V294-R362 WeakPolarHBondContact O-CA 3.47Å; V294-L363 HydrophobicContact CB-CB 4.03Å; V294-L363 HydrophobicContact CG2-CD2 4.36Å; V294-L363 PolarHBondContact N-O 3.44Å; V294-L363 PolarHBondContact O-N 2.91Å; V294-Y475 HydrophobicContact CB-CD1 4.46Å; V294-Y475 HydrophobicContact CG1-CD1 4.31Å; V294-Y475 HydrophobicContact CG2-CD1 3.87Å; V294-Y475 HydrophobicContact CG2-CE1 4.11Å; V294-F500 HydrophobicContact CG1-CE2 4.44Å
295L97.4Very high92.5Very high71 Ų7147.6 Ų47.637%0.37224%0.242SC..EExtended strand (participates in β ladder)trans-107.9117.6178.7-70.7175.8000109.1E277 K278 L280 E293 R362E277-L295 CarbonylContact C-O 3.56Å; E277-L295 WeakPolarHBondContact CA-O 3.32Å; K278-L295 PolarHBondContact N-O 2.83Å; K278-L295 PolarHBondContact O-N 2.87Å; L280-L295 HydrophobicContact CD1-CD1 4.21Å; E293-L295 HydrophobicContact CG-CD2 4.32Å; E293-L295 HydrophobicContact CG-CG 4.14Å; E293-L295 VanDerWaalsContact OE1-CD2 3.23Å; E293-L295 WeakPolarHBondContact OE1-CD2 3.32Å; L295-R362 HydrophobicContact CD2-CB 3.94Å; L295-R362 HydrophobicContact CD2-CG 3.86Å
296G96.4Very high92.6Very high6 Ų650.1 Ų50.16%0.06226%0.256CS..EExtended strand (participates in β ladder)trans-123.7156.9177.700000114E276 K360 W361E276-G296 CarbonylContact O-C 3.52Å; E276-G296 WeakPolarHBondContact O-CA 3.43Å; G296-K360 CarbonylContact O-C 3.58Å; G296-K360 VanDerWaalsContact O-CA 3.29Å; G296-K360 WeakPolarHBondContact O-CA 3.47Å; G296-W361 PolarHBondContact N-O 3.27Å; G296-W361 PolarHBondContact O-N 2.86Å
297M95.9Very high92.9Very high54 Ų5444.2 Ų44.227%0.26622%0.224SC..EExtended strand (participates in β ladder)trans-150.6137.6-179.1-178.1173.261.600111.7E276 T299 L359 K360E276-M297 PolarHBondContact N-O 2.96Å; E276-M297 PolarHBondContact O-N 2.84Å; M297-T299 WeakPolarHBondContact CE-OG1 3.38Å; M297-L359 CarbonylContact C-O 3.6Å; M297-L359 WeakPolarHBondContact CA-O 3.5Å; M297-K360 HydrophobicContact CB-CG 4.22Å; M297-K360 HydrophobicContact CG-CG 3.92Å; M297-K360 HydrophobicContact SD-CD 4.45Å; M297-K360 VanDerWaalsContact SD-CE 3.51Å; M297-K360 HydrophobicContact SD-CG 4.23Å
298V96.6Very high93.3Very high0 Ų043.1 Ų43.10%021%0.214CC..EExtended strand (participates in β ladder)trans-98.5122.3164.2177.30000108.6L273 R274 V275 G357 V358 L359 W361 V480L273-V298 HydrophobicContact CD2-CG1 4.04Å; R274-V298 CarbonylContact O-C 3.59Å; R274-V298 WeakPolarHBondContact O-CA 3.44Å; V275-V298 HydrophobicContact CG2-CG2 4.16Å; V298-G357 CarbonylContact O-C 3.49Å; V298-G357 WeakPolarHBondContact O-CA 3.47Å; V298-V358 HydrophobicContact CB-CG2 4.01Å; V298-V358 HydrophobicContact CG1-CG2 3.66Å; V298-V358 WeakPolarHBondContact O-CG2 3.45Å; V298-V358 PolarHBondContact O-N 3.24Å; V298-L359 HydrophobicContact CB-CB 4.32Å; V298-L359 PolarHBondContact N-O 3.04Å; V298-W361 HydrophobicContact CG2-CH2 3.84Å; V298-W361 HydrophobicContact CG2-CZ3 3.63Å; V298-V480 HydrophobicContact CG1-CG2 4.22Å; V298-V480 HydrophobicContact CG2-CG2 4.41Å
299T95.9Very high93.5Very high15 Ų1546.7 Ų46.79%0.09222%0.222CC..EExtended strand (participates in β ladder)trans-110125.7174.2-57.60000109.5L273 R274 M297 D355 V356L273-T299 CarbonylContact C-O 3.55Å; L273-T299 WeakPolarHBondContact CA-O 3.47Å; R274-T299 PolarHBondContact N-O 2.72Å; R274-T299 PolarHBondContact O-N 3.45Å; M297-T299 WeakPolarHBondContact CE-OG1 3.38Å; T299-D355 HydrophobicContact CG2-CB 3.73Å; T299-V356 WeakPolarHBondContact CA-O 3.3Å
300L95.8Very high93.5Very high2 Ų246.1 Ų46.11%0.0122%0.219CC..EExtended strand (participates in β ladder)trans-102.4132.3177.2171.867.5000109.9V271 L273 V302 I310 L312 F350 V356 V358V271-L300 HydrophobicContact CG1-CD1 3.69Å; L273-L300 HydrophobicContact CD2-CB 4.09Å; L273-L300 HydrophobicContact CD2-CD1 3.68Å; L273-L300 HydrophobicContact CD2-CG 4.49Å; L273-L300 HydrophobicContact CG-CD1 4.49Å; L300-V302 HydrophobicContact CD1-CG2 3.99Å; L300-V302 HydrophobicContact CD2-CG2 4.14Å; L300-V302 HydrophobicContact CG-CG2 4.01Å; L300-I310 HydrophobicContact CD1-CD1 4.13Å; L300-I310 HydrophobicContact CD2-CD1 4.18Å; L300-L312 HydrophobicContact CD1-CD2 4.42Å; L300-L312 HydrophobicContact CD2-CD1 4.31Å; L300-F350 HydrophobicContact CD2-CB 4.44Å; L300-F350 HydrophobicContact CD2-CD1 3.7Å; L300-F350 HydrophobicContact CD2-CD2 3.87Å; L300-F350 HydrophobicContact CD2-CE1 3.78Å; L300-F350 HydrophobicContact CD2-CE2 3.95Å; L300-F350 HydrophobicContact CD2-CG 3.74Å; L300-F350 HydrophobicContact CD2-CZ 3.91Å; L300-V356 PolarHBondContact N-O 2.79Å; L300-V356 PolarHBondContact O-N 3.28Å; L300-V358 HydrophobicContact CB-CG1 3.87Å; L300-V358 HydrophobicContact CB-CG2 4.38Å; L300-V358 HydrophobicContact CD2-CG1 4.24Å
301R94.1Very high93.6Very high87 Ų8745.2 Ų45.233%0.32821%0.211SC..EExtended strand (participates in β ladder)trans-123.7129.4167.4-171.9-180-176.1156.5-3.6109.7H272 D355H272-R301 PolarHBondContact N-O 2.91Å; H272-R301 PolarHBondContact O-N 3.3Å; R301-D355 VanDerWaalsContact CD-OD1 3.31Å; R301-D355 WeakPolarHBondContact CD-OD1 3.37Å
302V94.3Very high93.6Very high1 Ų142.6 Ų42.61%0.00620%0.198CC..EExtended strand (participates in β ladder)trans-119127.6176.5-176.30000108.8S270 L300 D304 N307 I310 F350 L352 N353S270-V302 WeakPolarHBondContact O-CA 3.45Å; L300-V302 HydrophobicContact CD1-CG2 3.99Å; L300-V302 HydrophobicContact CD2-CG2 4.14Å; L300-V302 HydrophobicContact CG-CG2 4.01Å; V302-D304 WeakPolarHBondContact CG1-O 3.48Å; V302-N307 HydrophobicContact CG1-CB 4.2Å; V302-N307 WeakPolarHBondContact CG1-O 3.28Å; V302-I310 HydrophobicContact CG2-CD1 4.06Å; V302-F350 HydrophobicContact CG2-CB 4.19Å; V302-L352 HydrophobicContact CB-CD2 4.45Å; V302-L352 HydrophobicContact CG1-CD2 3.95Å; V302-L352 CarbonylContact O-C 3.53Å; V302-L352 WeakPolarHBondContact O-CA 3.18Å; V302-N353 PolarHBondContact O-N 3.36Å
303T92.1Very high93.5Very high59 Ų5943.9 Ų43.936%0.36221%0.208SC..  trans-109.7-26.1-179.362.40000113.3S270 N353S270-T303 WeakPolarHBondContact CA-OG1 3.45Å; S270-T303 PolarHBondContact O-N 2.82Å; S270-T303 PolarHBondContact O-OG1 2.81Å; T303-N353 WeakPolarHBondContact CG2-OD1 3.45Å
304D90.4Very high93.3Very high59 Ų5943.4 Ų43.432%0.31621%0.206SC..  trans-97.7128.1177.2-172.9-4.9000111.2V302 K306 N307 G308V302-D304 WeakPolarHBondContact CG1-O 3.48Å; D304-K306 PolarHBondContact O-N 2.89Å; D304-K306 PolarHBondContact OD1-N 2.74Å; D304-N307 PolarHBondContact O-N 3.05Å; D304-G308 PolarHBondContact O-N 2.83Å
305E88.3Confident93.1Very high158 Ų15846.3 Ų46.374%0.73822%0.222SC*.G310 helixtrans-57.7-34.3177.2-171.7174.6-17000112.6N307 G308 L352E305-N307 PolarHBondContact O-N 2.9Å; E305-G308 PolarHBondContact O-N 2.85Å; E305-L352 HydrophobicContact CB-CD1 3.98Å; E305-L352 HydrophobicContact CG-CD1 4.22Å
306K87.9Confident92.7Very high166 Ų16645.6 Ų45.672%0.72222%0.218SC*.G310 helixtrans-60.8-32.1177-65177.1-176.9173.40112.1D304 G308 H485D304-K306 PolarHBondContact O-N 2.89Å; D304-K306 PolarHBondContact OD1-N 2.74Å; K306-G308 VanDerWaalsContact C-N 3.35Å; K306-H485 PolarHBondContact O-CE1 3.31Å
307N87.6Confident92.3Very high19 Ų1949.8 Ų49.810%0.10224%0.239CC..G310 helixtrans-95.814.2-179.8-63-26.2000112.6S270 V271 V302 D304 E305 R309 I310 H485 V492S270-N307 PolarHBondContact OG-ND2 3.31Å; V271-N307 HydrophobicContact CG2-CB 3.7Å; V302-N307 HydrophobicContact CG1-CB 4.2Å; V302-N307 WeakPolarHBondContact CG1-O 3.28Å; D304-N307 PolarHBondContact O-N 3.05Å; E305-N307 PolarHBondContact O-N 2.9Å; N307-R309 VanDerWaalsContact C-N 3.33Å; N307-R309 PolarHBondContact O-N 2.79Å; N307-I310 VanDerWaalsContact O-CG2 3.27Å; N307-I310 WeakPolarHBondContact O-CG2 3.21Å; N307-H485 PolarHBondContact OD1-CE1 2.87Å; N307-H485 PolarHBondContact OD1-NE2 2.88Å; N307-V492 HydrophobicContact CB-CG1 4.42Å
308G85.3Confident91.7Very high1 Ų148.1 Ų48.11%0.0123%0.232CC..SBendtrans-67.3-30.5177.800000113.7D304 E305 K306 S349 F350D304-G308 PolarHBondContact O-N 2.83Å; E305-G308 PolarHBondContact O-N 2.85Å; K306-G308 VanDerWaalsContact C-N 3.35Å; G308-S349 CarbonylContact O-C 3.51Å; G308-S349 VanDerWaalsContact O-CA 3.22Å; G308-S349 WeakPolarHBondContact O-CA 3.39Å; G308-S349 WeakPolarHBondContact O-CB 3.33Å; G308-F350 PolarHBondContact O-N 2.82Å
309R92.2Very high91.1Very high90 Ų9055.3 Ų55.334%0.3427%0.27SS..SBendtrans-106.286.5-178.9-63.2-170.5-62.6-168.76110.8N307 E347 V486 D487N307-R309 VanDerWaalsContact C-N 3.33Å; N307-R309 PolarHBondContact O-N 2.79Å; R309-E347 IonicContact NH1-OE2 3.92Å; R309-E347 PolarHBondContact NH1-OE2 3.2Å; R309-V486 HydrophobicContact CB-CB 4.39Å; R309-V486 HydrophobicContact CB-CG2 4.23Å; R309-V486 PolarHBondContact O-N 2.71Å; R309-V486 VanDerWaalsContact O-N 3.15Å; R309-D487 IonicContact CZ-OD2 3.96Å; R309-D487 IonicContact NE-OD2 3.07Å; R309-D487 PolarHBondContact NE-OD2 3.18Å; R309-D487 IonicContact NH1-OD2 2.7Å; R309-D487 IonicContact NH2-OD2 3.06Å; R309-D487 PolarHBondContact NH2-OD2 2.87Å
310I94.4Very high90.7Very high2 Ų256.4 Ų56.41%0.0127%0.274CS..EExtended strand (participates in β ladder)trans-129.6165.2-175.556.8170.7000112.9V271 L300 V302 N307 L312 F350 V483 S484 V492V271-I310 HydrophobicContact CG1-CD1 3.88Å; V271-I310 HydrophobicContact CG2-CD1 4.05Å; L300-I310 HydrophobicContact CD1-CD1 4.13Å; L300-I310 HydrophobicContact CD2-CD1 4.18Å; V302-I310 HydrophobicContact CG2-CD1 4.06Å; N307-I310 VanDerWaalsContact O-CG2 3.27Å; N307-I310 WeakPolarHBondContact O-CG2 3.21Å; I310-L312 HydrophobicContact CD1-CD2 4.41Å; I310-F350 HydrophobicContact CG1-CD2 3.86Å; I310-F350 HydrophobicContact CG1-CE2 3.97Å; I310-V483 HydrophobicContact CB-CG1 4.06Å; I310-V483 HydrophobicContact CD1-CG1 3.9Å; I310-V483 HydrophobicContact CG2-CG1 4.3Å; I310-S484 CarbonylContact C-O 3.58Å; I310-S484 WeakPolarHBondContact CA-O 3.29Å; I310-V492 HydrophobicContact CG2-CG2 4.03Å
311R94.5Very high90.2Very high83 Ų8359.1 Ų59.131%0.31330%0.301SS..EExtended strand (participates in β ladder)trans-126.9145.3171-65.3-179.91801761.5109.4V340 I341 V483 S484 V486R311-V340 HydrophobicContact CB-CG1 3.84Å; R311-V340 HydrophobicContact CG-CG1 4.34Å; R311-I341 CarbonylContact C-O 3.53Å; R311-I341 VanDerWaalsContact CA-O 3.3Å; R311-I341 WeakPolarHBondContact CA-O 3.49Å; R311-V483 WeakPolarHBondContact O-CA 3.43Å; R311-S484 PolarHBondContact N-O 2.93Å; R311-S484 PolarHBondContact O-N 2.77Å; R311-V486 HydrophobicContact CG-CG2 4.04Å
312L95.3Very high90.1Very high0 Ų056.2 Ų56.20%029%0.292CS..EExtended strand (participates in β ladder)trans-114.4121.4177.6-45.7165.7000108.5L273 L300 I310 V340 I341 V358 V480 V483L273-L312 HydrophobicContact CD1-CD2 4.38Å; L273-L312 HydrophobicContact CD2-CD1 4.09Å; L273-L312 HydrophobicContact CD2-CD2 4.12Å; L300-L312 HydrophobicContact CD1-CD2 4.42Å; L300-L312 HydrophobicContact CD2-CD1 4.31Å; I310-L312 HydrophobicContact CD1-CD2 4.41Å; L312-V340 CarbonylContact O-C 3.5Å; L312-V340 WeakPolarHBondContact O-CA 3.41Å; L312-I341 HydrophobicContact CB-CB 4.16Å; L312-I341 HydrophobicContact CD1-CB 4.33Å; L312-I341 HydrophobicContact CD1-CD1 4.48Å; L312-I341 HydrophobicContact CD1-CG2 4.24Å; L312-I341 PolarHBondContact N-O 3.47Å; L312-I341 PolarHBondContact O-N 2.98Å; L312-V358 HydrophobicContact CD1-CG2 3.92Å; L312-V480 HydrophobicContact CB-CG1 4.15Å; L312-V483 HydrophobicContact CD2-CB 4.3Å; L312-V483 HydrophobicContact CD2-CG1 3.96Å; L312-V483 HydrophobicContact CD2-CG2 3.54Å
313A94.4Very high90Very high27 Ų2761.8 Ų61.822%0.22332%0.319CS..EExtended strand (participates in β ladder)trans-85123.917000000109.2V340 T481 K482A313-V340 HydrophobicContact CB-CG2 4.5Å; A313-T481 PolarHBondContact O-N 2.93Å; A313-T481 PolarHBondContact O-OG1 2.93Å; A313-K482 HydrophobicContact CB-CB 4.02Å; A313-K482 PolarHBondContact N-O 3.43Å
314I94.2Very high90.2Very high11 Ų1161.9 Ų61.96%0.05632%0.317CS..EExtended strand (participates in β ladder)trans-104129.4177.9-53.8-60.6000108F335 S339 I341 L359 I478 Q479 V480I314-F335 HydrophobicContact CG1-CE2 4.33Å; I314-S339 WeakPolarHBondContact CB-O 3.48Å; I314-S339 PolarHBondContact N-O 2.86Å; I314-S339 VanDerWaalsContact O-CB 3.27Å; I314-S339 WeakPolarHBondContact O-CB 3.27Å; I314-I341 HydrophobicContact CD1-CD1 3.81Å; I314-I341 HydrophobicContact CD1-CG1 4.47Å; I314-I341 HydrophobicContact CG1-CD1 3.66Å; I314-I341 HydrophobicContact CG1-CG1 3.89Å; I314-L359 HydrophobicContact CG1-CD2 4.38Å; I314-L359 HydrophobicContact CG2-CD2 4.22Å; I314-I478 HydrophobicContact CG2-CG2 3.87Å; I314-Q479 WeakPolarHBondContact CA-O 3.39Å; I314-V480 HydrophobicContact CD1-CB 4.26Å; I314-V480 HydrophobicContact CD1-CG1 4.22Å; I314-V480 HydrophobicContact CD1-CG2 3.59Å
315N91.9Very high90.3Very high61 Ų6165.3 Ų65.333%0.32633%0.33SS..EExtended strand (participates in β ladder)trans-96.7130.1163.7-166.525.2000109N317 I478 Q479 T481N315-N317 PolarHBondContact ND2-ND2 3.14Å; N315-N317 VanDerWaalsContact ND2-ND2 3.11Å; N315-N317 PolarHBondContact ND2-OD1 2.93Å; N315-N317 PolarHBondContact OD1-OD1 2.89Å; N315-I478 WeakPolarHBondContact O-CA 3.34Å; N315-Q479 PolarHBondContact N-O 2.74Å; N315-Q479 PolarHBondContact O-N 3.16Å; N315-T481 HydrophobicContact CB-CG2 3.58Å
316N89.9Confident90.7Very high56 Ų5658.9 Ų58.930%0.29930%0.302SS..EExtended strand (participates in β ladder)trans-128.395.8174.9178.422.7000107.9D318 I478N316-D318 VanDerWaalsContact C-N 3.31Å; N316-D318 WeakPolarHBondContact OD1-CB 3.4Å; N316-D318 PolarHBondContact OD1-N 3.05Å; N316-I478 HydrophobicContact CB-CG1 4.36Å
317N86.8Confident90.9Very high95 Ų9554 Ų5451%0.50828%0.282SS..  trans-93.33.9174.6-51.3-47.6000111.8N315 N319 D477N315-N317 PolarHBondContact ND2-ND2 3.14Å; N315-N317 VanDerWaalsContact ND2-ND2 3.11Å; N315-N317 PolarHBondContact ND2-OD1 2.93Å; N315-N317 PolarHBondContact OD1-OD1 2.89Å; N317-N319 PolarHBondContact O-N 3.07Å; N317-D477 HydrophobicContact CB-CB 4.42Å; N317-D477 VanDerWaalsContact CB-OD2 3.31Å; N317-D477 WeakPolarHBondContact CB-OD2 3.5Å; N317-D477 PolarHBondContact N-O 2.95Å; N317-D477 VanDerWaalsContact N-O 3.11Å; N317-D477 PolarHBondContact ND2-OD2 2.87Å
318D84.5Confident91.2Very high19 Ų1957.2 Ų57.210%0.10230%0.304CS..  trans-74.9130.6-173.3-165.1-84.9000111.2N316 K320 L322 C476 D477N316-D318 VanDerWaalsContact C-N 3.31Å; N316-D318 WeakPolarHBondContact OD1-CB 3.4Å; N316-D318 PolarHBondContact OD1-N 3.05Å; D318-K320 WeakPolarHBondContact OD1-CA 3.22Å; D318-K320 WeakPolarHBondContact OD1-CB 3.36Å; D318-K320 VanDerWaalsContact OD1-CG 3.28Å; D318-K320 WeakPolarHBondContact OD1-CG 3.38Å; D318-K320 PolarHBondContact OD1-N 2.75Å; D318-K320 IonicContact OD2-NZ 3.49Å; D318-K320 PolarHBondContact OD2-NZ 3.44Å; D318-L322 HydrophobicContact CB-CD1 3.54Å; D318-L322 HydrophobicContact CB-CG 4.3Å; D318-L322 WeakPolarHBondContact OD1-CG 3.34Å; D318-C476 WeakPolarHBondContact OD2-CA 3.42Å; D318-D477 HydrophobicContact CB-CB 4.44Å; D318-D477 PolarHBondContact OD2-N 3.06Å
319N83.5Confident91.5Very high150 Ų15062 Ų6280%0.80233%0.329SS*.  trans-106.28.4-178.162.1-5.9000112.9N317 G321N317-N319 PolarHBondContact O-N 3.07Å; N319-G321 PolarHBondContact O-N 3.2Å
320K87.1Confident91.6Very high39 Ų3957.7 Ų57.717%0.1731%0.313CS..SBendtrans-82.35.5-174.3-51.1179.2-178.896.20113.4D318 L363 L370 E396 Y475D318-K320 WeakPolarHBondContact OD1-CA 3.22Å; D318-K320 WeakPolarHBondContact OD1-CB 3.36Å; D318-K320 VanDerWaalsContact OD1-CG 3.28Å; D318-K320 WeakPolarHBondContact OD1-CG 3.38Å; D318-K320 PolarHBondContact OD1-N 2.75Å; D318-K320 IonicContact OD2-NZ 3.49Å; D318-K320 PolarHBondContact OD2-NZ 3.44Å; K320-L363 HydrophobicContact CB-CD1 3.96Å; K320-L363 HydrophobicContact CB-CD2 4.16Å; K320-L363 HydrophobicContact CD-CD2 4.22Å; K320-L363 WeakPolarHBondContact O-CD1 3.31Å; K320-L370 HydrophobicContact CD-CD2 4.06Å; K320-L370 HydrophobicContact CG-CD2 4.13Å; K320-E396 WeakPolarHBondContact CE-OE1 3.4Å; K320-E396 IonicContact NZ-OE1 2.82Å; K320-Y475 HydrophobicContact CD-CE1 3.7Å; K320-Y475 PolarHBondContact NZ-O 2.82Å
321G85.8Confident91.5Very high58 Ų5860.1 Ų60.160%0.59833%0.326SS*.  trans82.238.9176.400000114.5N319N319-G321 PolarHBondContact O-N 3.2Å
322L91.8Very high91.5Very high26 Ų2662 Ų6214%0.13634%0.336CS..  trans-60134.8-179.1-60.4176.1000113.7D318 L324 L363 C476 I478D318-L322 HydrophobicContact CB-CD1 3.54Å; D318-L322 HydrophobicContact CB-CG 4.3Å; D318-L322 WeakPolarHBondContact OD1-CG 3.34Å; L322-L324 HydrophobicContact CB-CD2 4.21Å; L322-L363 HydrophobicContact CD2-CB 3.72Å; L322-L363 HydrophobicContact CD2-CD1 4.23Å; L322-L363 HydrophobicContact CD2-CG 4.39Å; L322-C476 HydrophobicContact CD1-CB 3.82Å; L322-C476 HydrophobicContact CD2-CB 4.19Å; L322-C476 VanDerWaalsContact CD2-SG 3.58Å; L322-I478 HydrophobicContact CD1-CD1 3.55Å; L322-I478 HydrophobicContact CD1-CG1 4Å
323Q93.1Very high91.4Very high119 Ų11970.4 Ų70.456%0.55637%0.373SS*.EExtended strand (participates in β ladder)trans-93.1108.7169.6-61.8-177.77.600110.1W361 R362Q323-W361 VanDerWaalsContact O-CA 3.24Å; Q323-W361 WeakPolarHBondContact O-CA 3.26Å; Q323-R362 WeakPolarHBondContact CB-O 3.41Å; Q323-R362 PolarHBondContact N-O 2.77Å; Q323-R362 PolarHBondContact O-N 3.09Å
324L94.3Very high91.2Very high61 Ų6170.5 Ų70.532%0.31937%0.369SS..EExtended strand (participates in β ladder)trans-93137-178-54.7178.2000111.8L322 F335 L359 W361 I478L322-L324 HydrophobicContact CB-CD2 4.21Å; L324-F335 HydrophobicContact CB-CE1 4.19Å; L324-F335 HydrophobicContact CB-CZ 4.49Å; L324-F335 HydrophobicContact CD1-CE1 4.03Å; L324-F335 HydrophobicContact CD1-CZ 3.91Å; L324-L359 HydrophobicContact CB-CD1 4.37Å; L324-W361 HydrophobicContact CD2-CB 3.6Å; L324-I478 HydrophobicContact CD2-CD1 3.83Å
325Q94.6Very high91.2Very high130 Ų13071 Ų7161%0.60737%0.371SS*.EExtended strand (participates in β ladder)trans-134.3120.6175-63.9-173900111K360Q325-K360 PolarHBondContact N-O 2.79Å; Q325-K360 PolarHBondContact O-N 3.29Å
326T95.2Very high91.2Very high23 Ų2373.9 Ų73.914%0.14139%0.391CS..EExtended strand (participates in β ladder)trans-90.3156.1175.867.40000111.8V330 F335 L359T326-V330 HydrophobicContact CG2-CG1 4.24Å; T326-F335 HydrophobicContact CG2-CB 4.12Å; T326-F335 HydrophobicContact CG2-CD1 3.48Å; T326-F335 VanDerWaalsContact CG2-CD1 3.48Å; T326-F335 HydrophobicContact CG2-CD2 4.17Å; T326-F335 HydrophobicContact CG2-CE1 3.87Å; T326-F335 HydrophobicContact CG2-CG 3.64Å; T326-F335 HydrophobicContact CG2-CZ 4.36Å; T326-L359 HydrophobicContact CG2-CD1 4.08Å
327H92.9Very high91.3Very high65 Ų6575.1 Ų75.130%0.30141%0.409SS..  trans-58147173.3-173.1-93.8000112.4N329 V330 G357 V358H327-N329 PolarHBondContact ND1-N 2.92Å; H327-N329 PolarHBondContact O-N 2.81Å; H327-V330 HydrophobicContact CB-CG2 3.91Å; H327-V330 WeakPolarHBondContact O-CB 3.36Å; H327-V330 PolarHBondContact O-N 2.84Å; H327-G357 WeakPolarHBondContact CB-O 3.26Å; H327-G357 PolarHBondContact CD2-O 3.28Å; H327-V358 PolarHBondContact N-O 3Å
328P92.8Very high91.5Very high86 Ų8676.8 Ų76.856%0.55841%0.414SS*.THydrogen-bonded Turntrans-56.7-27.1-178.4-29.836.7000115.8K344P328-K344 WeakPolarHBondContact O-CE 3.4Å; P328-K344 PolarHBondContact O-NZ 3.08Å
329N92Very high91.9Very high100 Ų10078.3 Ų78.354%0.53543%0.426SS..THydrogen-bonded Turntrans-86.7-5.2178.3-65-18.8000113.8H327 L343 K344H327-N329 PolarHBondContact ND1-N 2.92Å; H327-N329 PolarHBondContact O-N 2.81Å; N329-L343 HydrophobicContact CB-CD2 4.07Å; N329-L343 WeakPolarHBondContact O-CA 3.23Å; N329-K344 PolarHBondContact O-N 3.45Å
330V94Very high92.4Very high1 Ų172.2 Ų72.21%0.00639%0.394CS..BIsolated β-bridgetrans-82.8142.9176.7170.90000110.3T326 H327 K332 I341 G342 K344T326-V330 HydrophobicContact CG2-CG1 4.24Å; H327-V330 HydrophobicContact CB-CG2 3.91Å; H327-V330 WeakPolarHBondContact O-CB 3.36Å; H327-V330 PolarHBondContact O-N 2.84Å; V330-K332 PolarHBondContact O-N 3.41Å; V330-K332 VanDerWaalsContact O-N 3.14Å; V330-I341 HydrophobicContact CG1-CG2 3.92Å; V330-I341 HydrophobicContact CG2-CG2 3.8Å; V330-G342 CarbonylContact C-O 3.58Å; V330-G342 VanDerWaalsContact CA-O 3.27Å; V330-G342 WeakPolarHBondContact CA-O 3.25Å; V330-G342 WeakPolarHBondContact CG1-O 3.36Å; V330-K344 WeakPolarHBondContact O-CE 3.44Å; V330-K344 WeakPolarHBondContact O-CG 3.18Å
331D93.5Very high92.7Very high53 Ų5370.3 Ų70.328%0.28339%0.386SS..  trans-70.7103173-168.4-21000110.5K333 L334 F335 G342 K344D331-K333 VanDerWaalsContact C-N 3.29Å; D331-K333 PolarHBondContact O-N 2.87Å; D331-K333 WeakPolarHBondContact OD1-CB 3.49Å; D331-K333 PolarHBondContact OD1-N 3.48Å; D331-L334 HydrophobicContact CB-CB 3.92Å; D331-L334 PolarHBondContact O-N 3.34Å; D331-L334 PolarHBondContact OD1-N 3.49Å; D331-F335 PolarHBondContact O-N 2.7Å; D331-F335 VanDerWaalsContact O-N 3.14Å; D331-G342 PolarHBondContact N-O 3.31Å; D331-K344 HydrophobicContact CB-CG 4.35Å
332K93.5Very high93.1Very high123 Ų12367.7 Ų67.754%0.53536%0.358SS..Hα-helixtrans-64.2-32.9179.3-65.9-172.4175.4-170.10112.7V330 F335 T336V330-K332 PolarHBondContact O-N 3.41Å; V330-K332 VanDerWaalsContact O-N 3.14Å; K332-F335 PolarHBondContact O-N 2.75Å; K332-T336 WeakPolarHBondContact O-CB 3.37Å; K332-T336 PolarHBondContact O-N 3.08Å; K332-T336 PolarHBondContact O-OG1 3.06Å
333K92.9Very high93.1Very high176 Ų17667.9 Ų67.977%0.76536%0.36SS*.Hα-helixtrans-70.2-42.9-178.4-67.3-175.2179-177.80110.4D331 F335 T336 A337D331-K333 VanDerWaalsContact C-N 3.29Å; D331-K333 PolarHBondContact O-N 2.87Å; D331-K333 WeakPolarHBondContact OD1-CB 3.49Å; D331-K333 PolarHBondContact OD1-N 3.48Å; K333-F335 VanDerWaalsContact C-N 3.33Å; K333-T336 PolarHBondContact O-N 2.88Å; K333-A337 WeakPolarHBondContact O-CB 3.49Å; K333-A337 PolarHBondContact O-N 2.82Å
334L91.9Very high93.1Very high29 Ų2968 Ų6815%0.15236%0.358CS..Hα-helixtrans-60.6-44.9175.3-175.864.9000111.1D331 A337 E338 V340D331-L334 HydrophobicContact CB-CB 3.92Å; D331-L334 PolarHBondContact O-N 3.34Å; D331-L334 PolarHBondContact OD1-N 3.49Å; L334-A337 PolarHBondContact O-N 2.93Å; L334-E338 HydrophobicContact CD1-CB 4.5Å; L334-E338 WeakPolarHBondContact CD1-OE2 3.34Å; L334-E338 PolarHBondContact O-N 2.76Å; L334-V340 HydrophobicContact CD1-CB 4.43Å; L334-V340 HydrophobicContact CD2-CB 4.24Å; L334-V340 HydrophobicContact CD2-CG1 3.87Å; L334-V340 HydrophobicContact CG-CB 4Å; L334-V340 HydrophobicContact CG-CG1 4.2Å
335F93.9Very high92.9Very high22 Ų2268.5 Ų68.510%0.09636%0.361CS..Hα-helixtrans-63.3-45.2177.3-176.4-106.3000112.5I314 L324 T326 D331 K332 K333 A337 S339 V340 I341 L359I314-F335 HydrophobicContact CG1-CE2 4.33Å; L324-F335 HydrophobicContact CB-CE1 4.19Å; L324-F335 HydrophobicContact CB-CZ 4.49Å; L324-F335 HydrophobicContact CD1-CE1 4.03Å; L324-F335 HydrophobicContact CD1-CZ 3.91Å; T326-F335 HydrophobicContact CG2-CB 4.12Å; T326-F335 HydrophobicContact CG2-CD1 3.48Å; T326-F335 VanDerWaalsContact CG2-CD1 3.48Å; T326-F335 HydrophobicContact CG2-CD2 4.17Å; T326-F335 HydrophobicContact CG2-CE1 3.87Å; T326-F335 HydrophobicContact CG2-CG 3.64Å; T326-F335 HydrophobicContact CG2-CZ 4.36Å; D331-F335 PolarHBondContact O-N 2.7Å; D331-F335 VanDerWaalsContact O-N 3.14Å; K332-F335 PolarHBondContact O-N 2.75Å; K333-F335 VanDerWaalsContact C-N 3.33Å; F335-A337 PolarHBondContact O-N 3.47Å; F335-S339 WeakPolarHBondContact O-CA 3.45Å; F335-S339 PolarHBondContact O-N 2.9Å; F335-V340 VanDerWaalsContact CA-O 3.3Å; F335-V340 WeakPolarHBondContact CA-O 3.48Å; F335-V340 PolarHBondContact N-O 3.43Å; F335-I341 HydrophobicContact CD2-CG1 3.88Å; F335-I341 HydrophobicContact CE2-CG1 4.12Å; F335-L359 HydrophobicContact CE1-CD1 4.18Å; F335-L359 HydrophobicContact CE2-CD1 4.15Å; F335-L359 HydrophobicContact CE2-CD2 4.38Å; F335-L359 HydrophobicContact CZ-CD1 3.64Å; F335-L359 HydrophobicContact CZ-CD2 4.27Å
336T91Very high92.5Very high121 Ų12165.2 Ų65.274%0.74235%0.351SS*.Hα-helixtrans-67.7-33.3179.8-59.30000113.1K332 K333K332-T336 WeakPolarHBondContact O-CB 3.37Å; K332-T336 PolarHBondContact O-N 3.08Å; K332-T336 PolarHBondContact O-OG1 3.06Å; K333-T336 PolarHBondContact O-N 2.88Å
337A91.6Very high92.2Very high82 Ų8270.2 Ų70.268%0.67837%0.373SS*.Hα-helixtrans-83.4-39.4-17800000113.2K333 L334 F335K333-A337 WeakPolarHBondContact O-CB 3.49Å; K333-A337 PolarHBondContact O-N 2.82Å; L334-A337 PolarHBondContact O-N 2.93Å; F335-A337 PolarHBondContact O-N 3.47Å
338E91.1Very high92.1Very high129 Ų12973.7 Ų73.760%0.60339%0.387SS*.Hα-helixtrans-126-2-167.6-63.1179.1-166.500113.6L334 V340L334-E338 HydrophobicContact CD1-CB 4.5Å; L334-E338 WeakPolarHBondContact CD1-OE2 3.34Å; L334-E338 PolarHBondContact O-N 2.76Å; E338-V340 HydrophobicContact CB-CB 4.36Å; E338-V340 HydrophobicContact CB-CG2 3.95Å; E338-V340 PolarHBondContact O-N 2.93Å
339S92.9Very high92Very high51 Ų5172.8 Ų72.836%0.35738%0.383SS..SBendtrans57.231.7-171-56.10000113.2I314 F335I314-S339 WeakPolarHBondContact CB-O 3.48Å; I314-S339 PolarHBondContact N-O 2.86Å; I314-S339 VanDerWaalsContact O-CB 3.27Å; I314-S339 WeakPolarHBondContact O-CB 3.27Å; F335-S339 WeakPolarHBondContact O-CA 3.45Å; F335-S339 PolarHBondContact O-N 2.9Å
340V93.9Very high92Very high22 Ų2268.2 Ų68.213%0.13336%0.358CS..EExtended strand (participates in β ladder)trans-107.5128.5179.8176.10000110.9R311 L312 A313 L334 F335 E338R311-V340 HydrophobicContact CB-CG1 3.84Å; R311-V340 HydrophobicContact CG-CG1 4.34Å; L312-V340 CarbonylContact O-C 3.5Å; L312-V340 WeakPolarHBondContact O-CA 3.41Å; A313-V340 HydrophobicContact CB-CG2 4.5Å; L334-V340 HydrophobicContact CD1-CB 4.43Å; L334-V340 HydrophobicContact CD2-CB 4.24Å; L334-V340 HydrophobicContact CD2-CG1 3.87Å; L334-V340 HydrophobicContact CG-CB 4Å; L334-V340 HydrophobicContact CG-CG1 4.2Å; F335-V340 VanDerWaalsContact CA-O 3.3Å; F335-V340 WeakPolarHBondContact CA-O 3.48Å; F335-V340 PolarHBondContact N-O 3.43Å; E338-V340 HydrophobicContact CB-CB 4.36Å; E338-V340 HydrophobicContact CB-CG2 3.95Å; E338-V340 PolarHBondContact O-N 2.93Å
341I94.4Very high91.8Very high0 Ų071.4 Ų71.40%038%0.379CS..EExtended strand (participates in β ladder)trans-92.1116.6172.6-59.4176.5000108.7R311 L312 I314 V330 F335 V358 L359R311-I341 CarbonylContact C-O 3.53Å; R311-I341 VanDerWaalsContact CA-O 3.3Å; R311-I341 WeakPolarHBondContact CA-O 3.49Å; L312-I341 HydrophobicContact CB-CB 4.16Å; L312-I341 HydrophobicContact CD1-CB 4.33Å; L312-I341 HydrophobicContact CD1-CD1 4.48Å; L312-I341 HydrophobicContact CD1-CG2 4.24Å; L312-I341 PolarHBondContact N-O 3.47Å; L312-I341 PolarHBondContact O-N 2.98Å; I314-I341 HydrophobicContact CD1-CD1 3.81Å; I314-I341 HydrophobicContact CD1-CG1 4.47Å; I314-I341 HydrophobicContact CG1-CD1 3.66Å; I314-I341 HydrophobicContact CG1-CG1 3.89Å; V330-I341 HydrophobicContact CG1-CG2 3.92Å; V330-I341 HydrophobicContact CG2-CG2 3.8Å; F335-I341 HydrophobicContact CD2-CG1 3.88Å; F335-I341 HydrophobicContact CE2-CG1 4.12Å; I341-V358 HydrophobicContact CD1-CB 4.32Å; I341-V358 HydrophobicContact CD1-CG2 4Å; I341-V358 HydrophobicContact CG2-CB 3.95Å; I341-V358 HydrophobicContact CG2-CG1 4.46Å; I341-V358 HydrophobicContact CG2-CG2 4.47Å; I341-L359 HydrophobicContact CD1-CB 3.7Å; I341-L359 HydrophobicContact CD1-CD2 4.32Å
342G93.1Very high91.7Very high2 Ų272.2 Ų72.22%0.02138%0.383CS..  trans-143.7160.6169.700000110.7V330 D331V330-G342 CarbonylContact C-O 3.58Å; V330-G342 VanDerWaalsContact CA-O 3.27Å; V330-G342 WeakPolarHBondContact CA-O 3.25Å; V330-G342 WeakPolarHBondContact CG1-O 3.36Å; D331-G342 PolarHBondContact N-O 3.31Å
343L93.1Very high91.5Very high31 Ų3171 Ų7116%0.16238%0.382CS..BIsolated β-bridgetrans-69.5145176.4-66.6175.8000111.3N329 N345 K348 F350N329-L343 HydrophobicContact CB-CD2 4.07Å; N329-L343 WeakPolarHBondContact O-CA 3.23Å; L343-N345 PolarHBondContact O-N 2.79Å; L343-K348 HydrophobicContact CD1-CB 4.31Å; L343-K348 WeakPolarHBondContact CD1-O 3.48Å; L343-F350 HydrophobicContact CD1-CD1 4.32Å; L343-F350 HydrophobicContact CD1-CD2 4.19Å; L343-F350 HydrophobicContact CD1-CE1 4.46Å; L343-F350 HydrophobicContact CD1-CE2 4.33Å; L343-F350 HydrophobicContact CD1-CG 4.19Å; L343-F350 HydrophobicContact CD1-CZ 4.47Å; L343-F350 HydrophobicContact CD2-CD1 4.1Å; L343-F350 HydrophobicContact CD2-CE1 3.68Å; L343-F350 HydrophobicContact CD2-CZ 3.98Å; L343-F350 HydrophobicContact CG-CD1 4.3Å; L343-F350 HydrophobicContact CG-CD2 4.35Å; L343-F350 HydrophobicContact CG-CE1 3.95Å; L343-F350 HydrophobicContact CG-CE2 4Å; L343-F350 HydrophobicContact CG-CZ 3.8Å
344K92.9Very high91.4Very high120 Ų12067 Ų6752%0.52237%0.369SS..SBendtrans-56.5-32.3176.1-74.5176.2175.5170.80113.8P328 N329 V330 D331 P346P328-K344 WeakPolarHBondContact O-CE 3.4Å; P328-K344 PolarHBondContact O-NZ 3.08Å; N329-K344 PolarHBondContact O-N 3.45Å; V330-K344 WeakPolarHBondContact O-CE 3.44Å; V330-K344 WeakPolarHBondContact O-CG 3.18Å; D331-K344 HydrophobicContact CB-CG 4.35Å; K344-P346 WeakPolarHBondContact O-CD 3.31Å
345N90.6Very high91.3Very high72 Ų7269.3 Ų69.339%0.38538%0.382SS..SBendtrans-107.3106174.1-174.9-14.2000107.8L343 E347 K348L343-N345 PolarHBondContact O-N 2.79Å; N345-E347 PolarHBondContact O-N 2.83Å; N345-E347 WeakPolarHBondContact OD1-CB 3.45Å; N345-E347 PolarHBondContact OD1-N 3.46Å; N345-K348 HydrophobicContact CB-CB 4.36Å; N345-K348 HydrophobicContact CB-CD 4.16Å; N345-K348 HydrophobicContact CB-CG 4.02Å; N345-K348 PolarHBondContact O-N 3.02Å
346P85.9Confident91.3Very high61 Ų6169.1 Ų69.140%0.39638%0.383SS..THydrogen-bonded Turntrans-56.8-27.3179.3-2736.3000114K344 K348 V486K344-P346 WeakPolarHBondContact O-CD 3.31Å; P346-K348 VanDerWaalsContact C-N 3.29Å; P346-K348 PolarHBondContact O-N 2.91Å; P346-V486 HydrophobicContact CB-CG1 3.81Å
347E87.4Confident91.5Very high129 Ų12964.4 Ų64.460%0.60336%0.358SS*.THydrogen-bonded Turntrans-76.2-16.1179.5-61.7-58.1150.400113.3R309 N345R309-E347 IonicContact NH1-OE2 3.92Å; R309-E347 PolarHBondContact NH1-OE2 3.2Å; N345-E347 PolarHBondContact O-N 2.83Å; N345-E347 WeakPolarHBondContact OD1-CB 3.45Å; N345-E347 PolarHBondContact OD1-N 3.46Å
348K91.3Very high91.7Very high137 Ų13760.6 Ų60.660%0.59633%0.326SS*.SBendtrans-87141.1178.1-71-170.2176.6-173.50110.7L343 N345 P346L343-K348 HydrophobicContact CD1-CB 4.31Å; L343-K348 WeakPolarHBondContact CD1-O 3.48Å; N345-K348 HydrophobicContact CB-CB 4.36Å; N345-K348 HydrophobicContact CB-CD 4.16Å; N345-K348 HydrophobicContact CB-CG 4.02Å; N345-K348 PolarHBondContact O-N 3.02Å; P346-K348 VanDerWaalsContact C-N 3.29Å; P346-K348 PolarHBondContact O-N 2.91Å
349S90.2Very high92Very high68 Ų6854.5 Ų54.548%0.47630%0.298SS..PPolyproline II helixtrans-88.7154170.349.20000112G308G308-S349 CarbonylContact O-C 3.51Å; G308-S349 VanDerWaalsContact O-CA 3.22Å; G308-S349 WeakPolarHBondContact O-CA 3.39Å; G308-S349 WeakPolarHBondContact O-CB 3.33Å
350F92.8Very high92.1Very high4 Ų457.5 Ų57.52%0.01830%0.304CS..PPolyproline II helixtrans-61.5142.9163.2-75.4-82.3000109.8L300 V302 G308 I310 L343 L352 V358L300-F350 HydrophobicContact CD2-CB 4.44Å; L300-F350 HydrophobicContact CD2-CD1 3.7Å; L300-F350 HydrophobicContact CD2-CD2 3.87Å; L300-F350 HydrophobicContact CD2-CE1 3.78Å; L300-F350 HydrophobicContact CD2-CE2 3.95Å; L300-F350 HydrophobicContact CD2-CG 3.74Å; L300-F350 HydrophobicContact CD2-CZ 3.91Å; V302-F350 HydrophobicContact CG2-CB 4.19Å; G308-F350 PolarHBondContact O-N 2.82Å; I310-F350 HydrophobicContact CG1-CD2 3.86Å; I310-F350 HydrophobicContact CG1-CE2 3.97Å; L343-F350 HydrophobicContact CD1-CD1 4.32Å; L343-F350 HydrophobicContact CD1-CD2 4.19Å; L343-F350 HydrophobicContact CD1-CE1 4.46Å; L343-F350 HydrophobicContact CD1-CE2 4.33Å; L343-F350 HydrophobicContact CD1-CG 4.19Å; L343-F350 HydrophobicContact CD1-CZ 4.47Å; L343-F350 HydrophobicContact CD2-CD1 4.1Å; L343-F350 HydrophobicContact CD2-CE1 3.68Å; L343-F350 HydrophobicContact CD2-CZ 3.98Å; L343-F350 HydrophobicContact CG-CD1 4.3Å; L343-F350 HydrophobicContact CG-CD2 4.35Å; L343-F350 HydrophobicContact CG-CE1 3.95Å; L343-F350 HydrophobicContact CG-CE2 4Å; L343-F350 HydrophobicContact CG-CZ 3.8Å; F350-L352 PolarHBondContact O-N 3.43Å; F350-V358 HydrophobicContact CE1-CG1 3.94Å
351P90.6Very high92.2Very high68 Ų6856.7 Ų56.744%0.44230%0.299SS..PPolyproline II helixtrans-55.1126.1176-25.633.4000112.3N354 V356P351-N354 HydrophobicContact CB-CB 4.1Å; P351-V356 HydrophobicContact CG-CG2 4.19Å
352L90.4Very high92.3Very high69 Ų6960.9 Ų60.936%0.36132%0.315SS..BIsolated β-bridgetrans-72.4141.9178.6-62.9174.5000111.3V302 E305 F350 N354V302-L352 HydrophobicContact CB-CD2 4.45Å; V302-L352 HydrophobicContact CG1-CD2 3.95Å; V302-L352 CarbonylContact O-C 3.53Å; V302-L352 WeakPolarHBondContact O-CA 3.18Å; E305-L352 HydrophobicContact CB-CD1 3.98Å; E305-L352 HydrophobicContact CG-CD1 4.22Å; F350-L352 PolarHBondContact O-N 3.43Å; L352-N354 PolarHBondContact O-N 3.03Å; L352-N354 VanDerWaalsContact O-N 3.1Å
353N89.3Confident92.5Very high97 Ų9761 Ų6152%0.51932%0.315SS..THydrogen-bonded Turntrans55.623177.5-61-54.9000114.8V302 T303V302-N353 PolarHBondContact O-N 3.36Å; T303-N353 WeakPolarHBondContact CG2-OD1 3.45Å
354N90.9Very high92.6Very high93 Ų9364.4 Ų64.450%0.49733%0.33SS..SBendtrans-122.5142.9176.8-164.37.5000110.5P351 L352P351-N354 HydrophobicContact CB-CB 4.1Å; L352-N354 PolarHBondContact O-N 3.03Å; L352-N354 VanDerWaalsContact O-N 3.1Å
355D90.9Very high92.7Very high77 Ų7759.8 Ų59.841%0.41231%0.312SS..EExtended strand (participates in β ladder)trans-83.3116.3178.4-70.2-18.4000109T299 R301T299-D355 HydrophobicContact CG2-CB 3.73Å; R301-D355 VanDerWaalsContact CD-OD1 3.31Å; R301-D355 WeakPolarHBondContact CD-OD1 3.37Å
356V94.1Very high92.9Very high19 Ų1960.9 Ų60.912%0.11532%0.321CS..EExtended strand (participates in β ladder)trans-115.6112.8-178.2-176.20000109.8T299 L300 P351 V358T299-V356 WeakPolarHBondContact CA-O 3.3Å; L300-V356 PolarHBondContact N-O 2.79Å; L300-V356 PolarHBondContact O-N 3.28Å; P351-V356 HydrophobicContact CG-CG2 4.19Å; V356-V358 HydrophobicContact CG1-CG1 4.19Å; V356-V358 PolarHBondContact O-N 3.25Å; V356-V358 VanDerWaalsContact O-N 3.15Å
357G94.9Very high93.2Very high22 Ų2261.8 Ų61.823%0.22732%0.323CS..EExtended strand (participates in β ladder)trans-68.7107.5170.400000110.3V298 H327V298-G357 CarbonylContact O-C 3.49Å; V298-G357 WeakPolarHBondContact O-CA 3.47Å; H327-G357 WeakPolarHBondContact CB-O 3.26Å; H327-G357 PolarHBondContact CD2-O 3.28Å
358V95.9Very high93.4Very high1 Ų160.9 Ų60.91%0.00632%0.319CS..EExtended strand (participates in β ladder)trans-94.2-32.5-172.2-70.30000113.3V298 L300 L312 H327 I341 F350 V356V298-V358 HydrophobicContact CB-CG2 4.01Å; V298-V358 HydrophobicContact CG1-CG2 3.66Å; V298-V358 WeakPolarHBondContact O-CG2 3.45Å; V298-V358 PolarHBondContact O-N 3.24Å; L300-V358 HydrophobicContact CB-CG1 3.87Å; L300-V358 HydrophobicContact CB-CG2 4.38Å; L300-V358 HydrophobicContact CD2-CG1 4.24Å; L312-V358 HydrophobicContact CD1-CG2 3.92Å; H327-V358 PolarHBondContact N-O 3Å; I341-V358 HydrophobicContact CD1-CB 4.32Å; I341-V358 HydrophobicContact CD1-CG2 4Å; I341-V358 HydrophobicContact CG2-CB 3.95Å; I341-V358 HydrophobicContact CG2-CG1 4.46Å; I341-V358 HydrophobicContact CG2-CG2 4.47Å; F350-V358 HydrophobicContact CE1-CG1 3.94Å; V356-V358 HydrophobicContact CG1-CG1 4.19Å; V356-V358 PolarHBondContact O-N 3.25Å; V356-V358 VanDerWaalsContact O-N 3.15Å
359L96.1Very high93.4Very high2 Ų258.3 Ų58.31%0.0132%0.318CS..EExtended strand (participates in β ladder)trans-140.3138.6178.4179.567.5000109.2M297 V298 I314 L324 T326 F335 I341 W361 I478M297-L359 CarbonylContact C-O 3.6Å; M297-L359 WeakPolarHBondContact CA-O 3.5Å; V298-L359 HydrophobicContact CB-CB 4.32Å; V298-L359 PolarHBondContact N-O 3.04Å; I314-L359 HydrophobicContact CG1-CD2 4.38Å; I314-L359 HydrophobicContact CG2-CD2 4.22Å; L324-L359 HydrophobicContact CB-CD1 4.37Å; T326-L359 HydrophobicContact CG2-CD1 4.08Å; F335-L359 HydrophobicContact CE1-CD1 4.18Å; F335-L359 HydrophobicContact CE2-CD1 4.15Å; F335-L359 HydrophobicContact CE2-CD2 4.38Å; F335-L359 HydrophobicContact CZ-CD1 3.64Å; F335-L359 HydrophobicContact CZ-CD2 4.27Å; I341-L359 HydrophobicContact CD1-CB 3.7Å; I341-L359 HydrophobicContact CD1-CD2 4.32Å; L359-W361 HydrophobicContact CD2-CE3 4.22Å; L359-W361 HydrophobicContact CD2-CZ3 4.21Å; L359-W361 HydrophobicContact CG-CE3 4.13Å; L359-W361 HydrophobicContact CG-CZ3 4.31Å; L359-I478 HydrophobicContact CD2-CG2 4.46Å
360K96.4Very high93.6Very high113 Ų11356.2 Ų56.249%0.49130%0.301SS..EExtended strand (participates in β ladder)trans-126.4147.9170.2-66.1-177.4177.1-173.70109.1G296 M297 Q325G296-K360 CarbonylContact O-C 3.58Å; G296-K360 VanDerWaalsContact O-CA 3.29Å; G296-K360 WeakPolarHBondContact O-CA 3.47Å; M297-K360 HydrophobicContact CB-CG 4.22Å; M297-K360 HydrophobicContact CG-CG 3.92Å; M297-K360 HydrophobicContact SD-CD 4.45Å; M297-K360 VanDerWaalsContact SD-CE 3.51Å; M297-K360 HydrophobicContact SD-CG 4.23Å; Q325-K360 PolarHBondContact N-O 2.79Å; Q325-K360 PolarHBondContact O-N 3.29Å
361W96.1Very high93.6Very high5 Ų556.4 Ų56.42%0.01930%0.302CS..EExtended strand (participates in β ladder)trans-133.7153.4169.957.798.9000111.5V275 E277 G296 V298 Q323 L324 L359 I478V275-W361 HydrophobicContact CG1-CH2 3.94Å; V275-W361 HydrophobicContact CG1-CZ2 4.34Å; E277-W361 HydrophobicContact CG-CZ2 3.75Å; E277-W361 WeakPolarHBondContact OE1-CZ2 3.41Å; E277-W361 PolarHBondContact OE1-NE1 3.02Å; G296-W361 PolarHBondContact N-O 3.27Å; G296-W361 PolarHBondContact O-N 2.86Å; V298-W361 HydrophobicContact CG2-CH2 3.84Å; V298-W361 HydrophobicContact CG2-CZ3 3.63Å; Q323-W361 VanDerWaalsContact O-CA 3.24Å; Q323-W361 WeakPolarHBondContact O-CA 3.26Å; L324-W361 HydrophobicContact CD2-CB 3.6Å; L359-W361 HydrophobicContact CD2-CE3 4.22Å; L359-W361 HydrophobicContact CD2-CZ3 4.21Å; L359-W361 HydrophobicContact CG-CE3 4.13Å; L359-W361 HydrophobicContact CG-CZ3 4.31Å; W361-I478 HydrophobicContact CB-CD1 4.2Å; W361-I478 HydrophobicContact CD2-CD1 3.56Å; W361-I478 HydrophobicContact CE3-CD1 3.88Å; W361-I478 HydrophobicContact CG-CD1 3.74Å; W361-I478 HydrophobicContact CH2-CB 4.48Å; W361-I478 HydrophobicContact CH2-CG2 4.1Å; W361-I478 HydrophobicContact CZ2-CB 4.4Å; W361-I478 HydrophobicContact CZ2-CD1 4.43Å; W361-I478 HydrophobicContact CZ3-CD1 4.44Å; W361-I478 HydrophobicContact CZ3-CG2 4.1Å
362R96.3Very high93.8Very high89 Ų8953.2 Ų53.234%0.33628%0.281SS..EExtended strand (participates in β ladder)trans-132.4122.4173.6178.2178.6176.2135.65.2108.5E293 V294 L295 Q323E293-R362 HydrophobicContact CG-CG 4.19Å; E293-R362 WeakPolarHBondContact OE1-CD 3.28Å; E293-R362 IonicContact OE1-CZ 3.53Å; E293-R362 IonicContact OE1-NE 2.74Å; E293-R362 PolarHBondContact OE1-NE 3.12Å; E293-R362 IonicContact OE1-NH1 3.06Å; E293-R362 PolarHBondContact OE1-NH1 2.83Å; E293-R362 IonicContact OE1-NH2 2.98Å; E293-R362 PolarHBondContact OE1-NH2 2.98Å; E293-R362 VanDerWaalsContact OE1-NH2 3.16Å; E293-R362 IonicContact OE2-CZ 2.78Å; E293-R362 IonicContact OE2-NE 3.16Å; E293-R362 IonicContact OE2-NH1 3.94Å; E293-R362 IonicContact OE2-NH2 3.9Å; E293-R362 PolarHBondContact OE2-NH2 3.31Å; V294-R362 CarbonylContact O-C 3.36Å; V294-R362 WeakPolarHBondContact O-CA 3.47Å; L295-R362 HydrophobicContact CD2-CB 3.94Å; L295-R362 HydrophobicContact CD2-CG 3.86Å; Q323-R362 WeakPolarHBondContact CB-O 3.41Å; Q323-R362 PolarHBondContact N-O 2.77Å; Q323-R362 PolarHBondContact O-N 3.09Å
363L96.1Very high94.1Very high3 Ų349.9 Ų49.92%0.01626%0.264CS..EExtended strand (participates in β ladder)trans-98.1130.3159.8-177.958.8000107.2E293 V294 K320 L322 Y475E293-L363 CarbonylContact C-O 3.58Å; E293-L363 WeakPolarHBondContact CA-O 3.3Å; E293-L363 WeakPolarHBondContact CG-O 3.3Å; V294-L363 HydrophobicContact CB-CB 4.03Å; V294-L363 HydrophobicContact CG2-CD2 4.36Å; V294-L363 PolarHBondContact N-O 3.44Å; V294-L363 PolarHBondContact O-N 2.91Å; K320-L363 HydrophobicContact CB-CD1 3.96Å; K320-L363 HydrophobicContact CB-CD2 4.16Å; K320-L363 HydrophobicContact CD-CD2 4.22Å; K320-L363 WeakPolarHBondContact O-CD1 3.31Å; L322-L363 HydrophobicContact CD2-CB 3.72Å; L322-L363 HydrophobicContact CD2-CD1 4.23Å; L322-L363 HydrophobicContact CD2-CG 4.39Å; L363-Y475 HydrophobicContact CD2-CD1 4.41Å; L363-Y475 HydrophobicContact CD2-CE1 3.58Å
364Q95.4Very high94.4Very high103 Ų10346.5 Ų46.548%0.48125%0.247SC..EExtended strand (participates in β ladder)trans-134.6127.3169.2-176173.64.600108.5N291 M292N291-Q364 PolarHBondContact OD1-NE2 2.81Å; M292-Q364 WeakPolarHBondContact O-CA 3.42Å
365T94.7Very high94.6Very high24 Ų2442.6 Ų42.615%0.14723%0.226CC..EExtended strand (participates in β ladder)trans-151.6158.7-173.4-169.40000111.7L289 M292 D367 L370L289-T365 HydrophobicContact CD2-CG2 4.48Å; M292-T365 HydrophobicContact CB-CG2 3.93Å; M292-T365 HydrophobicContact CG-CG2 4.22Å; M292-T365 PolarHBondContact N-O 2.96Å; M292-T365 PolarHBondContact O-N 2.69Å; M292-T365 HydrophobicContact SD-CG2 4.17Å; T365-D367 VanDerWaalsContact OG1-CB 3.29Å; T365-D367 WeakPolarHBondContact OG1-CB 3.31Å; T365-D367 PolarHBondContact OG1-N 3.06Å; T365-L370 HydrophobicContact CG2-CB 4.17Å; T365-L370 HydrophobicContact CG2-CD1 3.84Å
366T94.4Very high94.8Very high95 Ų9541.6 Ų41.658%0.58322%0.221SC*.  trans-121.814.2166.962.30000110.6Q290Q290-T366 WeakPolarHBondContact O-CG2 3.4Å
367D92.6Very high94.8Very high79 Ų7941.2 Ų41.242%0.42222%0.219SC..  trans-81.3114.7177-173.2-12.2000110.1L289 T365 S369 L370L289-D367 VanDerWaalsContact CD2-O 3.3Å; L289-D367 WeakPolarHBondContact CD2-O 3.36Å; T365-D367 VanDerWaalsContact OG1-CB 3.29Å; T365-D367 WeakPolarHBondContact OG1-CB 3.31Å; T365-D367 PolarHBondContact OG1-N 3.06Å; D367-S369 PolarHBondContact O-N 3.05Å; D367-S369 WeakPolarHBondContact OD1-CB 3.31Å; D367-S369 PolarHBondContact OD1-N 3.16Å; D367-S369 PolarHBondContact OD1-OG 3.11Å; D367-S369 PolarHBondContact OD2-OG 2.8Å; D367-L370 HydrophobicContact CB-CD1 4.3Å; D367-L370 HydrophobicContact CB-CG 4.37Å; D367-L370 PolarHBondContact O-N 2.83Å
368E92.2Very high94.8Very high111 Ų11148.1 Ų48.152%0.51924%0.238SC..G310 helixtrans-61.5-26.4-179.1-69.6166.7-166.200113G288 L289 L370 I371G288-E368 WeakPolarHBondContact CA-OE1 3.38Å; L289-E368 HydrophobicContact CB-CG 3.64Å; L289-E368 PolarHBondContact N-OE1 2.89Å; E368-L370 PolarHBondContact O-N 3.37Å; E368-L370 VanDerWaalsContact O-N 3.14Å; E368-I371 HydrophobicContact CB-CD1 4.31Å; E368-I371 WeakPolarHBondContact O-CB 3.26Å; E368-I371 VanDerWaalsContact O-CG1 3.28Å; E368-I371 WeakPolarHBondContact O-CG1 3.5Å; E368-I371 PolarHBondContact O-N 2.94Å; E368-I371 VanDerWaalsContact O-N 3.16Å
369S91.5Very high94.7Very high82 Ų8249.5 Ų49.557%0.57325%0.247SC*.G310 helixtrans-66.8-14.1178.468.30000113.7D367D367-S369 PolarHBondContact O-N 3.05Å; D367-S369 WeakPolarHBondContact OD1-CB 3.31Å; D367-S369 PolarHBondContact OD1-N 3.16Å; D367-S369 PolarHBondContact OD1-OG 3.11Å; D367-S369 PolarHBondContact OD2-OG 2.8Å
370L93.1Very high94.5Very high25 Ų2552.8 Ų52.813%0.13127%0.27CS..G310 helixtrans-95.93.4178.7-63.1-178000113M292 K320 T365 D367 E368 P372 Y475M292-L370 VanDerWaalsContact CE-O 3.25Å; M292-L370 WeakPolarHBondContact CE-O 3.31Å; M292-L370 HydrophobicContact SD-CB 4.44Å; K320-L370 HydrophobicContact CD-CD2 4.06Å; K320-L370 HydrophobicContact CG-CD2 4.13Å; T365-L370 HydrophobicContact CG2-CB 4.17Å; T365-L370 HydrophobicContact CG2-CD1 3.84Å; D367-L370 HydrophobicContact CB-CD1 4.3Å; D367-L370 HydrophobicContact CB-CG 4.37Å; D367-L370 PolarHBondContact O-N 2.83Å; E368-L370 PolarHBondContact O-N 3.37Å; E368-L370 VanDerWaalsContact O-N 3.14Å; L370-P372 WeakPolarHBondContact O-CD 3.15Å; L370-Y475 PolarHBondContact O-OH 2.79Å
371I94.8Very high94.3Very high8 Ų854.1 Ų54.14%0.04128%0.278CS..  trans-68.5123.1175.5-63.6172.6000108.8L281 L289 E368 T374 Q395 Y505L281-I371 HydrophobicContact CD1-CG1 4.21Å; L281-I371 HydrophobicContact CD1-CG2 4.08Å; L289-I371 HydrophobicContact CB-CD1 4.18Å; L289-I371 HydrophobicContact CD1-CD1 4.37Å; L289-I371 HydrophobicContact CD1-CG1 4.24Å; L289-I371 HydrophobicContact CD2-CG1 4.14Å; E368-I371 HydrophobicContact CB-CD1 4.31Å; E368-I371 WeakPolarHBondContact O-CB 3.26Å; E368-I371 VanDerWaalsContact O-CG1 3.28Å; E368-I371 WeakPolarHBondContact O-CG1 3.5Å; E368-I371 PolarHBondContact O-N 2.94Å; E368-I371 VanDerWaalsContact O-N 3.16Å; I371-T374 HydrophobicContact CB-CG2 4.09Å; I371-T374 HydrophobicContact CD1-CG2 4.4Å; I371-T374 HydrophobicContact CG2-CG2 3.74Å; I371-Q395 WeakPolarHBondContact O-CB 3.49Å; I371-Q395 WeakPolarHBondContact O-CG 3.37Å; I371-Y505 VanDerWaalsContact CG2-OH 3.24Å; I371-Y505 WeakPolarHBondContact CG2-OH 2.82Å
372P94.6Very high93.8Very high0 Ų056.7 Ų56.70%030%0.297CS..SBendtrans-71.6-36.7-177.325.9-33000113.5I279 L370 Q395 L399 Y475 Y505I279-P372 HydrophobicContact CD1-CG 3.64Å; L370-P372 WeakPolarHBondContact O-CD 3.15Å; P372-Q395 PolarHBondContact O-N 3.02Å; P372-L399 HydrophobicContact CB-CD1 4.09Å; P372-Y475 HydrophobicContact CB-CD2 4.01Å; P372-Y475 HydrophobicContact CB-CE2 3.95Å; P372-Y475 HydrophobicContact CG-CD2 4.47Å; P372-Y475 HydrophobicContact CG-CE2 4.37Å; P372-Y505 HydrophobicContact CG-CE2 4.14Å
373L95.8Very high93.2Very high0 Ų056.3 Ų56.30%032%0.32CS..EExtended strand (participates in β ladder)trans-138.699.7-177.5-176.472.8000110I375 Y392 E393 L394 L401 V404 I442 V467 Y505L373-I375 HydrophobicContact CD2-CD1 4.09Å; L373-I375 HydrophobicContact CG-CD1 4.09Å; L373-Y392 HydrophobicContact CD1-CD2 3.88Å; L373-Y392 HydrophobicContact CD1-CG 4.35Å; L373-E393 CarbonylContact C-O 3.56Å; L373-E393 WeakPolarHBondContact CA-O 3.4Å; L373-L394 HydrophobicContact CD1-CB 4.3Å; L373-L394 HydrophobicContact CD1-CD1 4.35Å; L373-L401 HydrophobicContact CB-CD1 4.1Å; L373-L401 HydrophobicContact CD1-CD1 4.27Å; L373-L401 HydrophobicContact CD2-CD1 3.99Å; L373-L401 HydrophobicContact CG-CD1 4.35Å; L373-V404 HydrophobicContact CD2-CG1 4.31Å; L373-I442 HydrophobicContact CD1-CD1 4.2Å; L373-I442 HydrophobicContact CD1-CG2 4.34Å; L373-I442 HydrophobicContact CD2-CD1 4.27Å; L373-V467 HydrophobicContact CD2-CG1 4.15Å; L373-Y505 PolarHBondContact O-OH 3.29Å
374T95.6Very high92.5Very high25 Ų2561.3 Ų61.315%0.15336%0.356CS..EExtended strand (participates in β ladder)trans-74.3134.2178.545.20000110I371 Y392 E393 Q395I371-T374 HydrophobicContact CB-CG2 4.09Å; I371-T374 HydrophobicContact CD1-CG2 4.4Å; I371-T374 HydrophobicContact CG2-CG2 3.74Å; T374-Y392 CarbonylContact O-C 3.51Å; T374-Y392 VanDerWaalsContact O-CA 3.26Å; T374-Y392 WeakPolarHBondContact O-CA 3.16Å; T374-E393 PolarHBondContact N-O 3.38Å; T374-E393 PolarHBondContact O-N 2.96Å; T374-E393 WeakPolarHBondContact OG1-CB 3.41Å; T374-E393 PolarHBondContact OG1-O 3.46Å; T374-Q395 HydrophobicContact CG2-CG 3.82Å; T374-Q395 PolarHBondContact OG1-NE2 3.03Å; T374-Q395 VanDerWaalsContact OG1-NE2 3.1Å
375I95.5Very high92.1Very high12 Ų1258.5 Ų58.56%0.06235%0.347CS..EExtended strand (participates in β ladder)trans-119.3121.9174.9-55.3-59.2000108.1L373 I390 E391 Y392 I406 V467 I507L373-I375 HydrophobicContact CD2-CD1 4.09Å; L373-I375 HydrophobicContact CG-CD1 4.09Å; I375-I390 HydrophobicContact CG2-CG2 3.94Å; I375-E391 WeakPolarHBondContact CA-O 3.09Å; I375-Y392 VanDerWaalsContact CD1-CB 3.49Å; I375-I406 HydrophobicContact CD1-CD1 3.69Å; I375-I406 HydrophobicContact CD1-CG1 4.25Å; I375-V467 HydrophobicContact CD1-CG2 4.4Å; I375-V467 HydrophobicContact CG1-CG2 3.77Å; I375-I507 HydrophobicContact CB-CD1 3.84Å; I375-I507 HydrophobicContact CB-CG1 4.28Å; I375-I507 HydrophobicContact CG1-CD1 4.05Å; I375-I507 HydrophobicContact CG2-CD1 4.18Å
376N94.7Very high92.1Very high56 Ų5657.3 Ų57.330%0.29934%0.34SS..EExtended strand (participates in β ladder)trans-111.4131.4176.4-64.5-39.2000108.8I390 E391N376-I390 CarbonylContact O-C 3.52Å; N376-I390 VanDerWaalsContact O-CA 3.26Å; N376-I390 WeakPolarHBondContact O-CA 3.22Å; N376-E391 PolarHBondContact N-O 2.87Å; N376-E391 PolarHBondContact O-N 2.73Å
377C94.4Very high92.1Very high11 Ų1155.6 Ų55.67%0.07433%0.328CS..EExtended strand (participates in β ladder)trans-129.1119.1179.1176.40000109.7P379 I390 F463 I465C377-P379 VanDerWaalsContact O-CD 3.29Å; C377-P379 WeakPolarHBondContact O-CD 3.35Å; C377-I390 HydrophobicContact CB-CG1 4.13Å; C377-F463 HydrophobicContact CB-CE1 4.29Å; C377-F463 HydrophobicContact CB-CZ 3.98Å; C377-I465 HydrophobicContact CB-CD1 3.46Å; C377-I465 VanDerWaalsContact CB-CD1 3.46Å
378W93.9Very high92.2Very high166 Ų16652 Ų5263%0.62931%0.309SS*.EExtended strand (participates in β ladder)trans-117.986.2-177.8-64.3108.6000110.7N389W378-N389 PolarHBondContact N-O 3.23Å; W378-N389 PolarHBondContact O-N 3.37Å
379P93.7Very high92.4Very high31 Ų3148.6 Ų48.620%0.20129%0.294CS..EExtended strand (participates in β ladder)trans-74.5127.817030.4-34.4000111C377 V388 P459 F462 F463C377-P379 VanDerWaalsContact O-CD 3.29Å; C377-P379 WeakPolarHBondContact O-CD 3.35Å; P379-V388 HydrophobicContact CB-CG2 4.21Å; P379-P459 HydrophobicContact CB-CB 3.95Å; P379-P459 HydrophobicContact CB-CG 4.29Å; P379-P459 HydrophobicContact CG-CB 3.68Å; P379-P459 HydrophobicContact CG-CG 4.41Å; P379-F462 HydrophobicContact CB-CD2 3.84Å; P379-F462 HydrophobicContact CB-CE2 4.18Å; P379-F463 HydrophobicContact CG-CE2 4.27Å
380S92.9Very high92.7Very high71 Ų7144.7 Ų44.750%0.49727%0.267SS..EExtended strand (participates in β ladder)trans-118.7124.9178.3-63.40000110.5S382 C386 D387S380-S382 PolarHBondContact O-N 2.77Å; S380-C386 CarbonylContact O-C 3.59Å; S380-C386 WeakPolarHBondContact O-CA 3.27Å; S380-C386 PolarHBondContact O-SG 3.28Å; S380-D387 PolarHBondContact N-O 2.79Å; S380-D387 PolarHBondContact O-N 2.83Å
381E91.8Very high92.8Very high140 Ų14047.5 Ų47.565%0.65428%0.279SS*.EExtended strand (participates in β ladder)trans-75.5125178.5-67.6-178.2177.100111P459E381-P459 HydrophobicContact CG-CG 3.84Å; E381-P459 WeakPolarHBondContact OE1-CD 3.22Å
382S86.2Confident92.9Very high60 Ų6047.5 Ų47.542%0.4228%0.278SS..EExtended strand (participates in β ladder)trans-125.473.7178.3-169.10000109.1S380 S384 S385 D387S380-S382 PolarHBondContact O-N 2.77Å; S382-S384 PolarHBondContact O-N 3.11Å; S382-S385 CarbonylContact C-O 3.55Å; S382-S385 VanDerWaalsContact C-O 3.25Å; S382-S385 WeakPolarHBondContact CA-O 3.41Å; S382-S385 PolarHBondContact N-O 3.3Å; S382-S385 PolarHBondContact O-N 3.17Å; S382-S385 VanDerWaalsContact O-O 3.1Å; S382-S385 PolarHBondContact O-OG 2.56Å; S382-D387 VanDerWaalsContact CB-OD2 3.23Å; S382-D387 WeakPolarHBondContact CB-OD2 3.46Å; S382-D387 PolarHBondContact OG-OD2 2.94Å
383G83.6Confident93Very high80 Ų8050.9 Ų50.983%0.82529%0.294SS*.THydrogen-bonded Turntrans72-112.4-177.600000112.8
384S81.3Confident93Very high109 Ų10951 Ų5176%0.76230%0.295SS*.THydrogen-bonded Turntrans-95.2-2.6175.360.70000113.6S382S382-S384 PolarHBondContact O-N 3.11Å
385S87.6Confident92.9Very high43 Ų4353.9 Ų53.930%0.30131%0.307SS..EExtended strand (participates in β ladder)trans-110.7154.4174.139.50000110.7S382S382-S385 CarbonylContact C-O 3.55Å; S382-S385 VanDerWaalsContact C-O 3.25Å; S382-S385 WeakPolarHBondContact CA-O 3.41Å; S382-S385 PolarHBondContact N-O 3.3Å; S382-S385 PolarHBondContact O-N 3.17Å; S382-S385 VanDerWaalsContact O-O 3.1Å; S382-S385 PolarHBondContact O-OG 2.56Å
386C93.6Very high92.6Very high0 Ų055.2 Ų55.20%031%0.312CS..EExtended strand (participates in β ladder)trans-116.2128.1170.6-164.90000108.2S380 S454 I455 F462S380-C386 CarbonylContact O-C 3.59Å; S380-C386 WeakPolarHBondContact O-CA 3.27Å; S380-C386 PolarHBondContact O-SG 3.28Å; C386-S454 WeakPolarHBondContact O-CA 3.22Å; C386-I455 PolarHBondContact N-O 2.8Å; C386-I455 PolarHBondContact O-N 3.16Å; C386-F462 HydrophobicContact CB-CE2 3.78Å; C386-F462 HydrophobicContact CB-CZ 3.89Å
387D94.7Very high92.4Very high59 Ų5958 Ų5832%0.31632%0.324SS..EExtended strand (participates in β ladder)trans-92.9122171.7-60.8-39.7000107.2S380 S382 S454S380-D387 PolarHBondContact N-O 2.79Å; S380-D387 PolarHBondContact O-N 2.83Å; S382-D387 VanDerWaalsContact CB-OD2 3.23Å; S382-D387 WeakPolarHBondContact CB-OD2 3.46Å; S382-D387 PolarHBondContact OG-OD2 2.94Å; D387-S454 WeakPolarHBondContact OD1-CB 3.4Å; D387-S454 PolarHBondContact OD1-OG 2.56Å
388V95.7Very high92.1Very high4 Ų463.1 Ų63.12%0.02435%0.351CS..EExtended strand (participates in β ladder)trans-117.8121-174-1720000108.3P379 I390 E452 F453 F462P379-V388 HydrophobicContact CB-CG2 4.21Å; V388-I390 HydrophobicContact CG1-CD1 4.06Å; V388-I390 HydrophobicContact CG1-CG1 3.84Å; V388-E452 WeakPolarHBondContact O-CA 3.37Å; V388-F453 HydrophobicContact CB-CD1 4.12Å; V388-F453 HydrophobicContact CB-CD2 4.42Å; V388-F453 HydrophobicContact CB-CE1 3.66Å; V388-F453 HydrophobicContact CB-CE2 3.98Å; V388-F453 HydrophobicContact CB-CG 4.49Å; V388-F453 HydrophobicContact CB-CZ 3.58Å; V388-F453 HydrophobicContact CG1-CE1 3.74Å; V388-F453 HydrophobicContact CG1-CZ 3.8Å; V388-F453 HydrophobicContact CG2-CE1 4.36Å; V388-F453 HydrophobicContact CG2-CE2 3.84Å; V388-F453 HydrophobicContact CG2-CZ 3.76Å; V388-F453 PolarHBondContact N-O 2.74Å; V388-F453 PolarHBondContact O-N 3.24Å; V388-F462 HydrophobicContact CG2-CD1 4.09Å; V388-F462 HydrophobicContact CG2-CD2 3.73Å; V388-F462 HydrophobicContact CG2-CE1 3.9Å; V388-F462 HydrophobicContact CG2-CE2 3.52Å; V388-F462 HydrophobicContact CG2-CG 4.02Å; V388-F462 HydrophobicContact CG2-CZ 3.6Å
389N96.3Very high92Very high39 Ų3955.4 Ų55.421%0.20932%0.322CS..EExtended strand (participates in β ladder)trans-108.8127170.2-177.6-17.9000108.9W378 E452W378-N389 PolarHBondContact N-O 3.23Å; W378-N389 PolarHBondContact O-N 3.37Å; N389-E452 HydrophobicContact CB-CG 4.17Å; N389-E452 PolarHBondContact ND2-OE1 2.85Å
390I96.1Very high92.1Very high0 Ų056.9 Ų56.90%033%0.326CS..EExtended strand (participates in β ladder)trans-123.9129.3179.2-51.9-175.8000108.9I375 N376 C377 V388 I408 W437 S450 L451 F453 I465I375-I390 HydrophobicContact CG2-CG2 3.94Å; N376-I390 CarbonylContact O-C 3.52Å; N376-I390 VanDerWaalsContact O-CA 3.26Å; N376-I390 WeakPolarHBondContact O-CA 3.22Å; C377-I390 HydrophobicContact CB-CG1 4.13Å; V388-I390 HydrophobicContact CG1-CD1 4.06Å; V388-I390 HydrophobicContact CG1-CG1 3.84Å; I390-I408 HydrophobicContact CD1-CB 4.38Å; I390-I408 HydrophobicContact CD1-CD1 3.46Å; I390-I408 VanDerWaalsContact CD1-CD1 3.46Å; I390-I408 HydrophobicContact CD1-CG1 3.52Å; I390-I408 HydrophobicContact CD1-CG2 3.97Å; I390-W437 HydrophobicContact CB-CZ3 4.35Å; I390-W437 HydrophobicContact CG2-CE3 4.34Å; I390-W437 HydrophobicContact CG2-CZ3 3.98Å; I390-S450 CarbonylContact O-C 3.42Å; I390-S450 VanDerWaalsContact O-CA 3.31Å; I390-S450 WeakPolarHBondContact O-CA 3.42Å; I390-L451 PolarHBondContact N-O 3.5Å; I390-L451 PolarHBondContact O-N 2.89Å; I390-F453 HydrophobicContact CD1-CE1 4.02Å; I390-I465 HydrophobicContact CD1-CD1 4.37Å
391E96.4Very high92.2Very high83 Ų8353.5 Ų53.539%0.38830%0.302SS..EExtended strand (participates in β ladder)trans-124.4144.1-179.7-61.3176.3173.600109.8I375 N376 G449I375-E391 WeakPolarHBondContact CA-O 3.09Å; N376-E391 PolarHBondContact N-O 2.87Å; N376-E391 PolarHBondContact O-N 2.73Å; E391-G449 VanDerWaalsContact CA-O 3.31Å; E391-G449 WeakPolarHBondContact CA-O 3.24Å
392Y96.3Very high92.4Very high8 Ų848.4 Ų48.43%0.03128%0.279CS..EExtended strand (participates in β ladder)trans-113150.716674.9-102.9000110.9L373 T374 I375 I406 W437 L439 I442 N446 T448 G449L373-Y392 HydrophobicContact CD1-CD2 3.88Å; L373-Y392 HydrophobicContact CD1-CG 4.35Å; T374-Y392 CarbonylContact O-C 3.51Å; T374-Y392 VanDerWaalsContact O-CA 3.26Å; T374-Y392 WeakPolarHBondContact O-CA 3.16Å; I375-Y392 VanDerWaalsContact CD1-CB 3.49Å; Y392-I406 HydrophobicContact CD1-CD1 4.45Å; Y392-W437 AromaticContact CD1-CH2 3.38Å; Y392-W437 HydrophobicContact CD1-CH2 3.38Å; Y392-W437 AromaticContact CD1-CZ2 3.75Å; Y392-W437 HydrophobicContact CD1-CZ2 3.75Å; Y392-W437 AromaticContact CD1-CZ3 3.99Å; Y392-W437 HydrophobicContact CD1-CZ3 3.99Å; Y392-W437 AromaticContact CE1-CH2 3.9Å; Y392-W437 HydrophobicContact CE1-CH2 3.9Å; Y392-W437 AromaticContact CE1-CZ2 3.79Å; Y392-W437 HydrophobicContact CE1-CZ2 3.79Å; Y392-W437 HydrophobicContact CG-CH2 4.48Å; Y392-L439 HydrophobicContact CD1-CD1 3.66Å; Y392-L439 HydrophobicContact CE1-CD1 3.35Å; Y392-L439 HydrophobicContact CE1-CD2 3.76Å; Y392-L439 HydrophobicContact CE1-CG 4.2Å; Y392-I442 HydrophobicContact CD1-CD1 4.33Å; Y392-I442 HydrophobicContact CD2-CD1 3.98Å; Y392-I442 HydrophobicContact CD2-CG2 4.22Å; Y392-I442 HydrophobicContact CE1-CD1 4.18Å; Y392-I442 HydrophobicContact CE2-CD1 3.81Å; Y392-I442 HydrophobicContact CE2-CG1 4.1Å; Y392-I442 HydrophobicContact CE2-CG2 3.65Å; Y392-I442 HydrophobicContact CG-CD1 4.26Å; Y392-N446 PolarHBondContact OH-O 2.94Å; Y392-T448 VanDerWaalsContact CE2-C 3.49Å; Y392-T448 VanDerWaalsContact O-CA 3.3Å; Y392-T448 WeakPolarHBondContact O-CA 3.46Å; Y392-G449 VanDerWaalsContact CE1-CA 3.41Å; Y392-G449 VanDerWaalsContact CZ-N 3.32Å; Y392-G449 PolarHBondContact N-O 2.91Å; Y392-G449 PolarHBondContact O-N 3.48Å
393E96.3Very high92.8Very high72 Ų7249.7 Ų49.734%0.33628%0.282SS..EExtended strand (participates in β ladder)trans-138.4124.9168179.2176.2-15200110.2L373 T374 Q395 K447 T448L373-E393 CarbonylContact C-O 3.56Å; L373-E393 WeakPolarHBondContact CA-O 3.4Å; T374-E393 PolarHBondContact N-O 3.38Å; T374-E393 PolarHBondContact O-N 2.96Å; T374-E393 WeakPolarHBondContact OG1-CB 3.41Å; T374-E393 PolarHBondContact OG1-O 3.46Å; E393-Q395 PolarHBondContact O-N 3.44Å; E393-Q395 PolarHBondContact OE2-NE2 3.03Å; E393-K447 CarbonylContact C-O 3.55Å; E393-K447 VanDerWaalsContact CA-O 3.31Å; E393-K447 WeakPolarHBondContact CA-O 3.45Å; E393-T448 HydrophobicContact CB-CG2 4.11Å; E393-T448 HydrophobicContact CG-CG2 3.97Å
394L96.4Very high93.4Very high3 Ų346 Ų462%0.01624%0.243CC..EExtended strand (participates in β ladder)trans-78.7114173.9-177.373.8000108.9L373 L401 I442 K447L373-L394 HydrophobicContact CD1-CB 4.3Å; L373-L394 HydrophobicContact CD1-CD1 4.35Å; L394-L401 HydrophobicContact CD1-CD1 3.91Å; L394-L401 HydrophobicContact CD1-CG 4.19Å; L394-I442 HydrophobicContact CB-CG2 4.04Å; L394-I442 HydrophobicContact CD1-CG2 4.45Å; L394-I442 HydrophobicContact CD2-CG2 4.35Å; L394-K447 HydrophobicContact CB-CB 4.23Å; L394-K447 PolarHBondContact N-O 3Å
395Q93.6Very high94.2Very high85 Ų8542.3 Ų42.340%0.39722%0.216SC..SBendtrans-87.7-35.3178.8-58.4-66.7-22.100111.5I371 P372 T374 E393 E397I371-Q395 WeakPolarHBondContact O-CB 3.49Å; I371-Q395 WeakPolarHBondContact O-CG 3.37Å; P372-Q395 PolarHBondContact O-N 3.02Å; T374-Q395 HydrophobicContact CG2-CG 3.82Å; T374-Q395 PolarHBondContact OG1-NE2 3.03Å; T374-Q395 VanDerWaalsContact OG1-NE2 3.1Å; E393-Q395 PolarHBondContact O-N 3.44Å; E393-Q395 PolarHBondContact OE2-NE2 3.03Å; Q395-E397 PolarHBondContact O-N 2.95Å
396E90.1Very high94.7Very high39 Ų3940.2 Ų40.218%0.18220%0.201CC..  trans-9485.2179.1-80.8-73.5-17700111K320 N398 L399 Y475K320-E396 WeakPolarHBondContact CE-OE1 3.4Å; K320-E396 IonicContact NZ-OE1 2.82Å; E396-N398 PolarHBondContact O-N 2.93Å; E396-L399 HydrophobicContact CB-CD1 3.81Å; E396-L399 HydrophobicContact CB-CG 4.11Å; E396-L399 WeakPolarHBondContact O-CB 3.33Å; E396-L399 PolarHBondContact O-N 2.9Å; E396-Y475 HydrophobicContact CG-CD2 4.44Å; E396-Y475 HydrophobicContact CG-CE2 3.88Å
397E88.7Confident94.9Very high114 Ų11441.1 Ų41.153%0.53321%0.208SC..THydrogen-bonded Turntrans-61.6-17.5-176.1-62.3-173.4172.300114.2Q395 L399 A444Q395-E397 PolarHBondContact O-N 2.95Å; E397-L399 PolarHBondContact O-N 2.8Å; E397-A444 HydrophobicContact CB-CB 4.33Å
398N88.8Confident95Very high120 Ų12038.3 Ų38.364%0.64219%0.193SC*.THydrogen-bonded Turntrans-73.9-16.3175.4-66.9-47.6000112.7E396 R473E396-N398 PolarHBondContact O-N 2.93Å; N398-R473 WeakPolarHBondContact O-CD 3.49Å; N398-R473 PolarHBondContact O-NH1 2.93Å
399L92.4Very high95Very high4 Ų439.5 Ų39.52%0.02120%0.2CC..  trans-87150.5179.4-67.9177.5000112.1P372 E396 E397 L401 R473 N474 Y475 F500P372-L399 HydrophobicContact CB-CD1 4.09Å; E396-L399 HydrophobicContact CB-CD1 3.81Å; E396-L399 HydrophobicContact CB-CG 4.11Å; E396-L399 WeakPolarHBondContact O-CB 3.33Å; E396-L399 PolarHBondContact O-N 2.9Å; E397-L399 PolarHBondContact O-N 2.8Å; L399-L401 HydrophobicContact CB-CD2 4.08Å; L399-L401 HydrophobicContact CD1-CD2 4.35Å; L399-R473 HydrophobicContact CD2-CB 4.14Å; L399-N474 WeakPolarHBondContact CD2-O 3.38Å; L399-Y475 HydrophobicContact CD1-CD2 3.95Å; L399-F500 HydrophobicContact CD1-CD1 4.5Å; L399-F500 HydrophobicContact CD1-CE1 4.14Å; L399-F500 HydrophobicContact CD2-CD1 4.48Å
400E94.9Very high94.9Very high61 Ų6138 Ų3829%0.28519%0.192SC..  trans-128.4100.6172-177.2-167.7115.500106.4N402 V441 D443 S471 R473E400-N402 PolarHBondContact O-ND2 2.87Å; E400-N402 VanDerWaalsContact O-ND2 3.16Å; E400-N402 PolarHBondContact OE1-ND2 2.95Å; E400-V441 HydrophobicContact CG-CG1 3.98Å; E400-D443 HydrophobicContact CG-CB 4.23Å; E400-S471 WeakPolarHBondContact O-CB 3.26Å; E400-S471 PolarHBondContact O-OG 2.87Å; E400-R473 IonicContact OE2-NH2 2.63Å
401L96Very high94.6Very high0 Ų039 Ų390%020%0.199CC..EExtended strand (participates in β ladder)trans-86.9124.7-178.1-49-176.1000108.1L373 L394 L399 V404 V441 I442 F469L373-L401 HydrophobicContact CB-CD1 4.1Å; L373-L401 HydrophobicContact CD1-CD1 4.27Å; L373-L401 HydrophobicContact CD2-CD1 3.99Å; L373-L401 HydrophobicContact CG-CD1 4.35Å; L394-L401 HydrophobicContact CD1-CD1 3.91Å; L394-L401 HydrophobicContact CD1-CG 4.19Å; L399-L401 HydrophobicContact CB-CD2 4.08Å; L399-L401 HydrophobicContact CD1-CD2 4.35Å; L401-V404 HydrophobicContact CB-CG2 3.6Å; L401-V441 CarbonylContact O-C 3.56Å; L401-V441 VanDerWaalsContact O-CA 3.25Å; L401-V441 WeakPolarHBondContact O-CA 3.41Å; L401-I442 HydrophobicContact CB-CB 4.32Å; L401-I442 PolarHBondContact N-O 3.11Å; L401-I442 PolarHBondContact O-N 3.18Å; L401-F469 HydrophobicContact CB-CB 4.23Å; L401-F469 HydrophobicContact CB-CD2 4.48Å; L401-F469 HydrophobicContact CB-CG 4.33Å; L401-F469 HydrophobicContact CD1-CD1 4.12Å; L401-F469 HydrophobicContact CD1-CE1 4.28Å; L401-F469 HydrophobicContact CD1-CG 4.26Å; L401-F469 HydrophobicContact CD2-CD2 3.74Å; L401-F469 HydrophobicContact CD2-CE2 3.77Å; L401-F469 HydrophobicContact CD2-CG 4.25Å; L401-F469 HydrophobicContact CD2-CZ 4.28Å; L401-F469 HydrophobicContact CG-CD2 4.47Å
402N95.4Very high94.2Very high33 Ų3339.1 Ų39.118%0.17621%0.209CC..EExtended strand (participates in β ladder)trans-111.2151.6-179.6-68.1-100.6000109.7E400 V404 P440 V470E400-N402 PolarHBondContact O-ND2 2.87Å; E400-N402 VanDerWaalsContact O-ND2 3.16Å; E400-N402 PolarHBondContact OE1-ND2 2.95Å; N402-V404 VanDerWaalsContact C-N 3.27Å; N402-V404 PolarHBondContact O-N 2.94Å; N402-P440 WeakPolarHBondContact CA-O 3.44Å; N402-V470 WeakPolarHBondContact CA-O 3.37Å; N402-V470 WeakPolarHBondContact CB-O 3.24Å; N402-V470 PolarHBondContact N-O 2.85Å; N402-V470 PolarHBondContact O-N 3.4Å
403D94.2Very high93.4Very high88 Ų8842.8 Ų42.847%0.47125%0.25SC..EExtended strand (participates in β ladder)trans50.847.2178.5-61-43000111.9V405 P440D403-V405 PolarHBondContact O-N 3.01Å; D403-P440 PolarHBondContact N-O 2.77Å
404V96.7Very high92.9Very high1 Ų142.4 Ų42.41%0.00625%0.252CS..EExtended strand (participates in β ladder)trans-74.2126.6-177.1-1720000109.4L373 L401 N402 I406 C438 L439 I442 V467 S468 F469L373-V404 HydrophobicContact CD2-CG1 4.31Å; L401-V404 HydrophobicContact CB-CG2 3.6Å; N402-V404 VanDerWaalsContact C-N 3.27Å; N402-V404 PolarHBondContact O-N 2.94Å; V404-I406 HydrophobicContact CG1-CG1 4.5Å; V404-C438 WeakPolarHBondContact O-CA 3.22Å; V404-L439 HydrophobicContact CB-CB 4.17Å; V404-L439 PolarHBondContact N-O 2.91Å; V404-L439 PolarHBondContact O-N 3.14Å; V404-I442 HydrophobicContact CB-CD1 3.97Å; V404-I442 HydrophobicContact CB-CG1 4.4Å; V404-I442 HydrophobicContact CG1-CD1 3.79Å; V404-I442 HydrophobicContact CG2-CB 4.42Å; V404-I442 HydrophobicContact CG2-CD1 3.79Å; V404-I442 HydrophobicContact CG2-CG1 3.91Å; V404-V467 HydrophobicContact CG1-CG1 4.41Å; V404-S468 CarbonylContact C-O 3.57Å; V404-S468 VanDerWaalsContact CA-O 3.32Å; V404-S468 WeakPolarHBondContact CA-O 3.46Å; V404-F469 HydrophobicContact CB-CB 4.32Å; V404-F469 HydrophobicContact CG1-CB 4.34Å; V404-F469 HydrophobicContact CG2-CB 3.82Å
405V97.6Very high92.3Very high32 Ų3244.8 Ų44.819%0.19428%0.277CS..EExtended strand (participates in β ladder)trans-128.4117.8175.7-175.30000109.5D403 E436 W437 V467 S468D403-V405 PolarHBondContact O-N 3.01Å; V405-E436 HydrophobicContact CG1-CB 4Å; V405-E436 HydrophobicContact CG1-CG 4.29Å; V405-W437 CarbonylContact C-O 3.57Å; V405-W437 VanDerWaalsContact CA-O 3.32Å; V405-W437 WeakPolarHBondContact CA-O 3.48Å; V405-V467 CarbonylContact O-C 3.6Å; V405-V467 WeakPolarHBondContact O-CA 3.48Å; V405-S468 PolarHBondContact N-O 2.9Å; V405-S468 PolarHBondContact O-N 2.84Å
406I97.9Very high92.1Very high0 Ų043.9 Ų43.90%028%0.284CS..EExtended strand (participates in β ladder)trans-101.1108.6173-57.9162.1000107.2I375 Y392 V404 I408 W437 L439 I465 N466 V467I375-I406 HydrophobicContact CD1-CD1 3.69Å; I375-I406 HydrophobicContact CD1-CG1 4.25Å; Y392-I406 HydrophobicContact CD1-CD1 4.45Å; V404-I406 HydrophobicContact CG1-CG1 4.5Å; I406-I408 HydrophobicContact CG2-CD1 4.34Å; I406-I408 HydrophobicContact CG2-CG1 4.21Å; I406-W437 HydrophobicContact CB-CB 4.19Å; I406-W437 HydrophobicContact CB-CE3 4.19Å; I406-W437 HydrophobicContact CD1-CD2 4.08Å; I406-W437 HydrophobicContact CD1-CE3 3.41Å; I406-W437 VanDerWaalsContact CD1-CE3 3.41Å; I406-W437 HydrophobicContact CD1-CZ3 3.71Å; I406-W437 HydrophobicContact CG1-CE3 4.38Å; I406-W437 HydrophobicContact CG2-CE3 4.43Å; I406-W437 PolarHBondContact N-O 2.79Å; I406-W437 PolarHBondContact O-N 2.8Å; I406-L439 HydrophobicContact CD1-CD1 4.19Å; I406-I465 HydrophobicContact CG2-CG2 3.53Å; I406-N466 CarbonylContact C-O 3.59Å; I406-V467 HydrophobicContact CG1-CG1 4.24Å; I406-V467 HydrophobicContact CG1-CG2 4.33Å
407S97.5Very high92.2Very high19 Ų1942.5 Ų42.513%0.13328%0.279CS..EExtended strand (participates in β ladder)trans-96.3112.9-176.9-60.40000110.5I465 N466S407-I465 WeakPolarHBondContact O-CA 3.25Å; S407-N466 PolarHBondContact N-O 2.79Å; S407-N466 PolarHBondContact O-N 2.9Å
408I97.1Very high92.4Very high0 Ų042 Ų420%028%0.283CS..EExtended strand (participates in β ladder)trans-109.1117.1-175.7-56.3134.2000108.1I390 I406 V434 L435 W437 L451 F453 F462 I465I390-I408 HydrophobicContact CD1-CB 4.38Å; I390-I408 HydrophobicContact CD1-CD1 3.46Å; I390-I408 VanDerWaalsContact CD1-CD1 3.46Å; I390-I408 HydrophobicContact CD1-CG1 3.52Å; I390-I408 HydrophobicContact CD1-CG2 3.97Å; I406-I408 HydrophobicContact CG2-CD1 4.34Å; I406-I408 HydrophobicContact CG2-CG1 4.21Å; I408-V434 CarbonylContact O-C 3.53Å; I408-V434 WeakPolarHBondContact O-CA 3.48Å; I408-L435 HydrophobicContact CB-CB 4.45Å; I408-L435 PolarHBondContact N-O 3.42Å; I408-L435 PolarHBondContact O-N 3.39Å; I408-W437 HydrophobicContact CD1-CB 4.37Å; I408-L451 HydrophobicContact CD1-CD2 3.87Å; I408-F453 HydrophobicContact CG2-CE1 4.37Å; I408-F453 HydrophobicContact CG2-CZ 4.1Å; I408-F462 HydrophobicContact CG2-CB 4.29Å; I408-I465 HydrophobicContact CG1-CG1 4.49Å; I408-I465 HydrophobicContact CG1-CG2 4.26Å
409P95.8Very high92.7Very high28 Ų2838 Ų3818%0.18226%0.261CS..EExtended strand (participates in β ladder)trans-58.4143.1171.7-2334.2000110.9D461 F462 P464P409-D461 CarbonylContact C-O 3.55Å; P409-D461 WeakPolarHBondContact CB-O 3.44Å; P409-F462 WeakPolarHBondContact O-CA 3.43Å; P409-P464 WeakPolarHBondContact CD-O 3.22Å; P409-P464 WeakPolarHBondContact CG-O 3.38Å
410V94.5Very high92.7Very high8 Ų840.1 Ų40.15%0.04828%0.284CS..  trans-129.5152.9173.2-67.10000110.1N433 L435 F453 I455V410-N433 HydrophobicContact CG2-CB 4.3Å; V410-N433 WeakPolarHBondContact CG2-O 3.14Å; V410-N433 PolarHBondContact N-O 3.19Å; V410-N433 WeakPolarHBondContact O-CB 3.18Å; V410-L435 HydrophobicContact CG1-CB 3.95Å; V410-F453 HydrophobicContact CG1-CE2 4.3Å; V410-I455 HydrophobicContact CB-CD1 4.15Å
411P90.6Very high92.6Very high20 Ų2042.7 Ų42.713%0.1330%0.3CS..  trans-59.6144.4178.7-18.826.1000112.8V414 A456 D461P411-V414 HydrophobicContact CB-CG1 4.33Å; P411-V414 HydrophobicContact CB-CG2 3.9Å; P411-V414 HydrophobicContact CG-CG2 4.49Å; P411-V414 WeakPolarHBondContact O-CG2 3.46Å; P411-A456 WeakPolarHBondContact CG-O 3.28Å; P411-D461 HydrophobicContact CG-CB 3.67Å
412S86.7Confident92.5Very high86 Ų8645 Ų4560%0.60131%0.312SS*.THydrogen-bonded Turntrans-83142.4176.565.30000112.2N433S412-N433 WeakPolarHBondContact CA-OD1 3.39Å; S412-N433 WeakPolarHBondContact CB-OD1 3.3Å
413G81.1Confident92.4Very high86 Ų8647 Ų4789%0.88732%0.322SS*.THydrogen-bonded Turntrans81.98.9169.200000115.8
414V84.3Confident92.3Very high64 Ų6445.1 Ų45.139%0.38832%0.324SS..SBendtrans-104.22-178.1-64.20000114.2P411 I455 A456P411-V414 HydrophobicContact CB-CG1 4.33Å; P411-V414 HydrophobicContact CB-CG2 3.9Å; P411-V414 HydrophobicContact CG-CG2 4.49Å; P411-V414 WeakPolarHBondContact O-CG2 3.46Å; V414-I455 HydrophobicContact CG2-CD1 3.74Å; V414-I455 HydrophobicContact CG2-CG1 3.8Å; V414-A456 HydrophobicContact CB-CB 4.12Å; V414-A456 HydrophobicContact CG1-CB 4.24Å; V414-A456 WeakPolarHBondContact CG2-O 3.48Å
415G84.5Confident92.1Very high53 Ų5351 Ų5155%0.54635%0.351SS..  trans95.5-165.4-17600000112.8
416A88.6Confident92Very high66 Ų6654.7 Ų54.755%0.54536%0.362SS..  trans-90.8146.2177.200000110.8
417P92.3Very high91.8Very high10 Ų1060.4 Ų60.47%0.06539%0.387CS..  trans-63.1141.9173.625.8-31.8000110.7I419 L435 F453 I455P417-I419 HydrophobicContact CB-CD1 4.25Å; P417-I419 HydrophobicContact CG-CD1 4.27Å; P417-L435 HydrophobicContact CG-CD1 4.07Å; P417-L435 HydrophobicContact CG-CD2 4.26Å; P417-F453 HydrophobicContact CB-CB 4.37Å; P417-F453 HydrophobicContact CB-CD2 3.76Å; P417-F453 HydrophobicContact CB-CE2 4.49Å; P417-F453 HydrophobicContact CB-CG 4.35Å; P417-I455 HydrophobicContact CB-CB 4.22Å; P417-I455 HydrophobicContact CB-CD1 4.09Å
418V93.5Very high91.6Very high102 Ų10262.2 Ų62.262%0.61839%0.393SS*.EExtended strand (participates in β ladder)trans-88.2110.2171.9-178.60000107.3F453 S454V418-F453 CarbonylContact O-C 3.55Å; V418-F453 WeakPolarHBondContact O-CA 3.39Å; V418-F453 WeakPolarHBondContact O-CB 3.18Å; V418-S454 PolarHBondContact N-O 3.48Å; V418-S454 PolarHBondContact O-N 2.82Å
419I95.7Very high91.2Very high37 Ų3764.6 Ų64.619%0.1941%0.406CS..EExtended strand (participates in β ladder)trans-79.6131.4-179.5-51.7-53.7000109.7P417 L422 Y426 L435 L451 F453P417-I419 HydrophobicContact CB-CD1 4.25Å; P417-I419 HydrophobicContact CG-CD1 4.27Å; I419-L422 HydrophobicContact CG2-CB 4.04Å; I419-L422 HydrophobicContact CG2-CD2 4.28Å; I419-Y426 HydrophobicContact CB-CE1 4.32Å; I419-Y426 HydrophobicContact CD1-CD2 4.01Å; I419-Y426 HydrophobicContact CD1-CE2 4.11Å; I419-Y426 HydrophobicContact CD1-CG 4.36Å; I419-Y426 HydrophobicContact CG1-CD1 4.02Å; I419-Y426 HydrophobicContact CG1-CD2 3.77Å; I419-Y426 HydrophobicContact CG1-CE1 3.77Å; I419-Y426 HydrophobicContact CG1-CE2 3.51Å; I419-Y426 HydrophobicContact CG1-CG 4.01Å; I419-Y426 VanDerWaalsContact CG1-CZ 3.49Å; I419-Y426 HydrophobicContact CG2-CD1 4.4Å; I419-Y426 HydrophobicContact CG2-CE1 4.47Å; I419-L435 HydrophobicContact CD1-CD1 4.09Å; I419-L435 HydrophobicContact CD1-CD2 4.01Å; I419-L451 HydrophobicContact CG2-CD1 4.04Å; I419-F453 HydrophobicContact CD1-CB 3.69Å
420G92.4Very high90.7Very high48 Ų4867.4 Ų67.450%0.49543%0.427SS..EExtended strand (participates in β ladder)trans-94.5-126.3171.100000110.8E452G420-E452 PolarHBondContact N-O 3.14Å
421D92.3Very high90.3Very high116 Ų11676.3 Ų76.362%0.6246%0.459SS*.EExtended strand (participates in β ladder)trans-70.1137.1174.6-75-13.4000110.6E452D421-E452 PolarHBondContact O-N 3.48Å
422L94.4Very high90.2Very high49 Ų4982.5 Ų82.526%0.25748%0.48SS..EExtended strand (participates in β ladder)trans-148.8127-175163.568.7000110.1I419 Y426 W437 L451I419-L422 HydrophobicContact CG2-CB 4.04Å; I419-L422 HydrophobicContact CG2-CD2 4.28Å; L422-Y426 HydrophobicContact CD2-CD1 3.55Å; L422-Y426 HydrophobicContact CD2-CE1 4.48Å; L422-Y426 HydrophobicContact CD2-CG 4.25Å; L422-W437 HydrophobicContact CD1-CG 4.45Å; L422-L451 HydrophobicContact CB-CD1 4.27Å; L422-L451 HydrophobicContact CD1-CB 4.28Å; L422-L451 HydrophobicContact CD1-CD1 3.86Å; L422-L451 HydrophobicContact CD1-CG 4.5Å
423D92.1Very high90.4Very high74 Ų7481 Ų8140%0.39647%0.465SS..SBendtrans-90.9120.7163.9-67.6-54.3000110.3W437 L439 G449 S450D423-W437 HydrophobicContact CB-CZ2 4.47Å; D423-W437 PolarHBondContact O-NE1 3.47Å; D423-L439 WeakPolarHBondContact O-CD2 3.23Å; D423-G449 VanDerWaalsContact OD2-CA 3.3Å; D423-G449 WeakPolarHBondContact OD2-CA 3.19Å; D423-S450 PolarHBondContact N-O 3.01Å; D423-S450 PolarHBondContact OD2-N 3.41Å; D423-S450 PolarHBondContact OD2-OG 3.1Å
424G92Very high91.1Very high48 Ų4877.8 Ų77.850%0.49543%0.428SS..SBendtrans92.6-142.9-179.500000113.5
425E93.9Very high91.7Very high124 Ų12474.7 Ų74.758%0.57941%0.41SS*.EExtended strand (participates in β ladder)trans-122.8157.9-177-65.7-175.1179.800111.3C438E425-C438 HydrophobicContact CB-CB 4.36Å; E425-C438 PolarHBondContact N-O 3.32Å; E425-C438 PolarHBondContact O-N 2.9Å
426Y95.6Very high92.3Very high111 Ų11174 Ų7444%0.43539%0.392SS..EExtended strand (participates in β ladder)trans-129.8152.3173.580.5-80.6000111.7I419 L422 L435 E436I419-Y426 HydrophobicContact CB-CE1 4.32Å; I419-Y426 HydrophobicContact CD1-CD2 4.01Å; I419-Y426 HydrophobicContact CD1-CE2 4.11Å; I419-Y426 HydrophobicContact CD1-CG 4.36Å; I419-Y426 HydrophobicContact CG1-CD1 4.02Å; I419-Y426 HydrophobicContact CG1-CD2 3.77Å; I419-Y426 HydrophobicContact CG1-CE1 3.77Å; I419-Y426 HydrophobicContact CG1-CE2 3.51Å; I419-Y426 HydrophobicContact CG1-CG 4.01Å; I419-Y426 VanDerWaalsContact CG1-CZ 3.49Å; I419-Y426 HydrophobicContact CG2-CD1 4.4Å; I419-Y426 HydrophobicContact CG2-CE1 4.47Å; L422-Y426 HydrophobicContact CD2-CD1 3.55Å; L422-Y426 HydrophobicContact CD2-CE1 4.48Å; L422-Y426 HydrophobicContact CD2-CG 4.25Å; Y426-L435 HydrophobicContact CD2-CD1 3.71Å; Y426-L435 HydrophobicContact CG-CD1 4.41Å; Y426-E436 CarbonylContact C-O 3.59Å; Y426-E436 VanDerWaalsContact CA-O 3.26Å; Y426-E436 WeakPolarHBondContact CA-O 3.44Å
427K93.5Very high92.7Very high119 Ų11970.9 Ų70.952%0.51737%0.366SS..EExtended strand (participates in β ladder)trans-134.8126.7172.2-66.2175.5-174.4164.50109.1E436K427-E436 HydrophobicContact CB-CB 4.33Å; K427-E436 PolarHBondContact N-O 3.41Å; K427-E436 PolarHBondContact O-N 3.21Å
428H92.3Very high92.9Very high57 Ų5771.3 Ų71.326%0.26437%0.369SS..EExtended strand (participates in β ladder)trans-101.1111.7174.7176.7-130.8000110.1S430 L435H428-S430 PolarHBondContact O-N 2.93Å; H428-L435 HydrophobicContact CB-CD1 4.37Å
429D88.6Confident93Very high51 Ų5166.9 Ų66.927%0.27334%0.342SS..EExtended strand (participates in β ladder)trans-92.295.3171.6-172.9-26.5000109.5R431 R432 N433 V434D429-R431 PolarHBondContact O-N 2.76Å; D429-R431 WeakPolarHBondContact OD1-CA 3.36Å; D429-R431 VanDerWaalsContact OD1-CB 3.25Å; D429-R431 WeakPolarHBondContact OD1-CB 3.35Å; D429-R431 PolarHBondContact OD1-N 3.46Å; D429-R432 HydrophobicContact CB-CB 4.3Å; D429-R432 PolarHBondContact O-N 2.99Å; D429-R432 PolarHBondContact OD1-N 3.18Å; D429-R432 WeakPolarHBondContact OD2-CD 3.4Å; D429-R432 WeakPolarHBondContact OD2-CG 3.31Å; D429-N433 WeakPolarHBondContact O-CA 3.47Å; D429-N433 PolarHBondContact O-N 3.3Å; D429-V434 PolarHBondContact N-O 2.78Å; D429-V434 PolarHBondContact O-N 3.11Å; D429-V434 VanDerWaalsContact O-N 3.15Å
430S85.4Confident92.8Very high87 Ų8769.2 Ų69.261%0.60836%0.359SS*.THydrogen-bonded Turntrans-66.5-17.3178.664.80000113.8H428 N433H428-S430 PolarHBondContact O-N 2.93Å; S430-N433 PolarHBondContact O-OD1 3.07Å
431R86.9Confident92.9Very high194 Ų19469.2 Ų69.273%0.73235%0.35SS*.THydrogen-bonded Turntrans-81.1-38.4178.8-119.7-172.972.6123.91.3110.9D429D429-R431 PolarHBondContact O-N 2.76Å; D429-R431 WeakPolarHBondContact OD1-CA 3.36Å; D429-R431 VanDerWaalsContact OD1-CB 3.25Å; D429-R431 WeakPolarHBondContact OD1-CB 3.35Å; D429-R431 PolarHBondContact OD1-N 3.46Å
432R87.5Confident93.1Very high151 Ų15163.7 Ų63.757%0.5732%0.32SS*.THydrogen-bonded Turntrans-89-13.6176.5-66.9173.465.9-149.8-2.1112.6D429 V434 E436D429-R432 HydrophobicContact CB-CB 4.3Å; D429-R432 PolarHBondContact O-N 2.99Å; D429-R432 PolarHBondContact OD1-N 3.18Å; D429-R432 WeakPolarHBondContact OD2-CD 3.4Å; D429-R432 WeakPolarHBondContact OD2-CG 3.31Å; R432-V434 HydrophobicContact CB-CB 4.44Å; R432-V434 HydrophobicContact CB-CG2 4.04Å; R432-E436 IonicContact NH1-OE1 2.81Å; R432-E436 PolarHBondContact NH1-OE1 3Å
433N92.1Very high93.1Very high54 Ų5463 Ų6329%0.28932%0.317SS..THydrogen-bonded Turntrans54.854.3-170.3-43.2-77.2000110.4V410 S412 D429 S430V410-N433 HydrophobicContact CG2-CB 4.3Å; V410-N433 WeakPolarHBondContact CG2-O 3.14Å; V410-N433 PolarHBondContact N-O 3.19Å; V410-N433 WeakPolarHBondContact O-CB 3.18Å; S412-N433 WeakPolarHBondContact CA-OD1 3.39Å; S412-N433 WeakPolarHBondContact CB-OD1 3.3Å; D429-N433 WeakPolarHBondContact O-CA 3.47Å; D429-N433 PolarHBondContact O-N 3.3Å; S430-N433 PolarHBondContact O-OD1 3.07Å
434V95.2Very high93.2Very high18 Ų1861.8 Ų61.811%0.10932%0.317CS..EExtended strand (participates in β ladder)trans-131.8135.1-179.8177.80000109.2I408 D429 R432 E436I408-V434 CarbonylContact O-C 3.53Å; I408-V434 WeakPolarHBondContact O-CA 3.48Å; D429-V434 PolarHBondContact N-O 2.78Å; D429-V434 PolarHBondContact O-N 3.11Å; D429-V434 VanDerWaalsContact O-N 3.15Å; R432-V434 HydrophobicContact CB-CB 4.44Å; R432-V434 HydrophobicContact CB-CG2 4.04Å; V434-E436 HydrophobicContact CG1-CG 3.96Å
435L96.3Very high93.3Very high0 Ų066.6 Ų66.60%033%0.332CS..EExtended strand (participates in β ladder)trans-96.2115.6164.6179.563.5000108.2I408 V410 P417 I419 Y426 H428 L451 F453I408-L435 HydrophobicContact CB-CB 4.45Å; I408-L435 PolarHBondContact N-O 3.42Å; I408-L435 PolarHBondContact O-N 3.39Å; V410-L435 HydrophobicContact CG1-CB 3.95Å; P417-L435 HydrophobicContact CG-CD1 4.07Å; P417-L435 HydrophobicContact CG-CD2 4.26Å; I419-L435 HydrophobicContact CD1-CD1 4.09Å; I419-L435 HydrophobicContact CD1-CD2 4.01Å; Y426-L435 HydrophobicContact CD2-CD1 3.71Å; Y426-L435 HydrophobicContact CG-CD1 4.41Å; H428-L435 HydrophobicContact CB-CD1 4.37Å; L435-L451 HydrophobicContact CD2-CD2 4.18Å; L435-F453 HydrophobicContact CD2-CB 4.44Å; L435-F453 HydrophobicContact CD2-CD1 3.56Å; L435-F453 HydrophobicContact CD2-CD2 4.19Å; L435-F453 HydrophobicContact CD2-CE1 3.72Å; L435-F453 HydrophobicContact CD2-CE2 4.33Å; L435-F453 HydrophobicContact CD2-CG 3.8Å; L435-F453 HydrophobicContact CD2-CZ 4.11Å
436E97.1Very high93.3Very high39 Ų3963.5 Ų63.518%0.18232%0.319CS..EExtended strand (participates in β ladder)trans-97.5117.8176.6-64.5-178.8167.200108.9V405 Y426 K427 R432 V434V405-E436 HydrophobicContact CG1-CB 4Å; V405-E436 HydrophobicContact CG1-CG 4.29Å; Y426-E436 CarbonylContact C-O 3.59Å; Y426-E436 VanDerWaalsContact CA-O 3.26Å; Y426-E436 WeakPolarHBondContact CA-O 3.44Å; K427-E436 HydrophobicContact CB-CB 4.33Å; K427-E436 PolarHBondContact N-O 3.41Å; K427-E436 PolarHBondContact O-N 3.21Å; R432-E436 IonicContact NH1-OE1 2.81Å; R432-E436 PolarHBondContact NH1-OE1 3Å; V434-E436 HydrophobicContact CG1-CG 3.96Å
437W97.7Very high93.2Very high0 Ų062.5 Ų62.50%032%0.317CS..EExtended strand (participates in β ladder)trans-93.3115.317118019.2000109.1I390 Y392 V405 I406 I408 L422 D423 L439 S450 L451I390-W437 HydrophobicContact CB-CZ3 4.35Å; I390-W437 HydrophobicContact CG2-CE3 4.34Å; I390-W437 HydrophobicContact CG2-CZ3 3.98Å; Y392-W437 AromaticContact CD1-CH2 3.38Å; Y392-W437 HydrophobicContact CD1-CH2 3.38Å; Y392-W437 AromaticContact CD1-CZ2 3.75Å; Y392-W437 HydrophobicContact CD1-CZ2 3.75Å; Y392-W437 AromaticContact CD1-CZ3 3.99Å; Y392-W437 HydrophobicContact CD1-CZ3 3.99Å; Y392-W437 AromaticContact CE1-CH2 3.9Å; Y392-W437 HydrophobicContact CE1-CH2 3.9Å; Y392-W437 AromaticContact CE1-CZ2 3.79Å; Y392-W437 HydrophobicContact CE1-CZ2 3.79Å; Y392-W437 HydrophobicContact CG-CH2 4.48Å; V405-W437 CarbonylContact C-O 3.57Å; V405-W437 VanDerWaalsContact CA-O 3.32Å; V405-W437 WeakPolarHBondContact CA-O 3.48Å; I406-W437 HydrophobicContact CB-CB 4.19Å; I406-W437 HydrophobicContact CB-CE3 4.19Å; I406-W437 HydrophobicContact CD1-CD2 4.08Å; I406-W437 HydrophobicContact CD1-CE3 3.41Å; I406-W437 VanDerWaalsContact CD1-CE3 3.41Å; I406-W437 HydrophobicContact CD1-CZ3 3.71Å; I406-W437 HydrophobicContact CG1-CE3 4.38Å; I406-W437 HydrophobicContact CG2-CE3 4.43Å; I406-W437 PolarHBondContact N-O 2.79Å; I406-W437 PolarHBondContact O-N 2.8Å; I408-W437 HydrophobicContact CD1-CB 4.37Å; L422-W437 HydrophobicContact CD1-CG 4.45Å; D423-W437 HydrophobicContact CB-CZ2 4.47Å; D423-W437 PolarHBondContact O-NE1 3.47Å; W437-L439 HydrophobicContact CD2-CD1 4.14Å; W437-L439 HydrophobicContact CZ2-CD1 4.01Å; W437-L439 HydrophobicContact CZ2-CD2 4.41Å; W437-S450 VanDerWaalsContact CH2-C 3.47Å; W437-S450 VanDerWaalsContact CZ2-C 3.45Å; W437-S450 WeakPolarHBondContact CZ2-O 3.45Å; W437-L451 HydrophobicContact CB-CD2 3.72Å; W437-L451 HydrophobicContact CD2-CB 3.76Å; W437-L451 HydrophobicContact CD2-CD2 3.99Å; W437-L451 HydrophobicContact CE3-CB 3.85Å; W437-L451 HydrophobicContact CE3-CD2 4.2Å; W437-L451 HydrophobicContact CG-CB 4.32Å; W437-L451 HydrophobicContact CG-CD2 3.8Å; W437-L451 HydrophobicContact CH2-CB 4.07Å; W437-L451 HydrophobicContact CZ2-CB 4.01Å; W437-L451 HydrophobicContact CZ3-CB 4.01Å
438C96.6Very high93.3Very high18 Ų1860.7 Ų60.712%0.12232%0.316CS..EExtended strand (participates in β ladder)trans-109.2120.8-172.2-59.10000111.2V404 E425V404-C438 WeakPolarHBondContact O-CA 3.22Å; E425-C438 HydrophobicContact CB-CB 4.36Å; E425-C438 PolarHBondContact N-O 3.32Å; E425-C438 PolarHBondContact O-N 2.9Å
439L95.3Very high93.5Very high10 Ų1058.2 Ų58.25%0.05231%0.306CS..EExtended strand (participates in β ladder)trans-122.7114.3178-67145.4000108.1Y392 V404 I406 D423 W437 V441 I442Y392-L439 HydrophobicContact CD1-CD1 3.66Å; Y392-L439 HydrophobicContact CE1-CD1 3.35Å; Y392-L439 HydrophobicContact CE1-CD2 3.76Å; Y392-L439 HydrophobicContact CE1-CG 4.2Å; V404-L439 HydrophobicContact CB-CB 4.17Å; V404-L439 PolarHBondContact N-O 2.91Å; V404-L439 PolarHBondContact O-N 3.14Å; I406-L439 HydrophobicContact CD1-CD1 4.19Å; D423-L439 WeakPolarHBondContact O-CD2 3.23Å; W437-L439 HydrophobicContact CD2-CD1 4.14Å; W437-L439 HydrophobicContact CZ2-CD1 4.01Å; W437-L439 HydrophobicContact CZ2-CD2 4.41Å; L439-V441 VanDerWaalsContact C-N 3.32Å; L439-V441 PolarHBondContact O-N 3.21Å; L439-I442 HydrophobicContact CB-CD1 4.32Å; L439-I442 HydrophobicContact CB-CG1 4.15Å; L439-I442 HydrophobicContact CD1-CD1 3.87Å; L439-I442 HydrophobicContact CD1-CG1 4.44Å
440P92.1Very high93.9Very high85 Ų8557.4 Ų57.455%0.55230%0.304SS*.EExtended strand (participates in β ladder)trans-59.4-41.4-176.1-27.134.9000113.5N402 D403N402-P440 WeakPolarHBondContact CA-O 3.44Å; D403-P440 PolarHBondContact N-O 2.77Å
441V94.6Very high94.5Very high48 Ų4853.2 Ų53.229%0.29128%0.275SS..EExtended strand (participates in β ladder)trans-145.7137179.9-178.90000109.7E400 L401 L439 D443 N446E400-V441 HydrophobicContact CG-CG1 3.98Å; L401-V441 CarbonylContact O-C 3.56Å; L401-V441 VanDerWaalsContact O-CA 3.25Å; L401-V441 WeakPolarHBondContact O-CA 3.41Å; L439-V441 VanDerWaalsContact C-N 3.32Å; L439-V441 PolarHBondContact O-N 3.21Å; V441-D443 HydrophobicContact CG1-CB 4.42Å; V441-N446 PolarHBondContact O-ND2 2.92Å
442I96.4Very high95Very high0 Ų047.6 Ų47.60%026%0.257CS..EExtended strand (participates in β ladder)trans-122.9120.3165.9-55.9176.4000108L373 Y392 L394 L401 V404 L439 N446L373-I442 HydrophobicContact CD1-CD1 4.2Å; L373-I442 HydrophobicContact CD1-CG2 4.34Å; L373-I442 HydrophobicContact CD2-CD1 4.27Å; Y392-I442 HydrophobicContact CD1-CD1 4.33Å; Y392-I442 HydrophobicContact CD2-CD1 3.98Å; Y392-I442 HydrophobicContact CD2-CG2 4.22Å; Y392-I442 HydrophobicContact CE1-CD1 4.18Å; Y392-I442 HydrophobicContact CE2-CD1 3.81Å; Y392-I442 HydrophobicContact CE2-CG1 4.1Å; Y392-I442 HydrophobicContact CE2-CG2 3.65Å; Y392-I442 HydrophobicContact CG-CD1 4.26Å; L394-I442 HydrophobicContact CB-CG2 4.04Å; L394-I442 HydrophobicContact CD1-CG2 4.45Å; L394-I442 HydrophobicContact CD2-CG2 4.35Å; L401-I442 HydrophobicContact CB-CB 4.32Å; L401-I442 PolarHBondContact N-O 3.11Å; L401-I442 PolarHBondContact O-N 3.18Å; V404-I442 HydrophobicContact CB-CD1 3.97Å; V404-I442 HydrophobicContact CB-CG1 4.4Å; V404-I442 HydrophobicContact CG1-CD1 3.79Å; V404-I442 HydrophobicContact CG2-CB 4.42Å; V404-I442 HydrophobicContact CG2-CD1 3.79Å; V404-I442 HydrophobicContact CG2-CG1 3.91Å; L439-I442 HydrophobicContact CB-CD1 4.32Å; L439-I442 HydrophobicContact CB-CG1 4.15Å; L439-I442 HydrophobicContact CD1-CD1 3.87Å; L439-I442 HydrophobicContact CD1-CG1 4.44Å; I442-N446 WeakPolarHBondContact CA-OD1 3.41Å
443D94.6Very high95.4Very high34 Ų3440.5 Ų40.518%0.18223%0.231CC..  trans-143.3-172.7179.173.716000111.3E400 V441 N445 N446 K447E400-D443 HydrophobicContact CG-CB 4.23Å; V441-D443 HydrophobicContact CG1-CB 4.42Å; D443-N445 PolarHBondContact O-N 3.13Å; D443-N445 VanDerWaalsContact O-N 3.15Å; D443-N445 WeakPolarHBondContact OD1-CA 3.41Å; D443-N445 WeakPolarHBondContact OD1-CB 3.21Å; D443-N445 PolarHBondContact OD1-N 2.86Å; D443-N445 PolarHBondContact OD1-ND2 2.82Å; D443-N445 PolarHBondContact OD2-ND2 2.94Å; D443-N446 PolarHBondContact N-OD1 2.87Å; D443-N446 CarbonylContact O-C 3.57Å; D443-N446 PolarHBondContact O-N 3.43Å; D443-N446 PolarHBondContact O-OD1 2.87Å; D443-N446 PolarHBondContact OD1-N 3.12Å; D443-N446 PolarHBondContact OD1-OD1 3.17Å; D443-K447 WeakPolarHBondContact O-CA 3.49Å; D443-K447 PolarHBondContact O-N 3.34Å; D443-K447 VanDerWaalsContact O-N 3.11Å
444A93.9Very high95.5Very high50 Ų5040 Ų4041%0.41323%0.231SC..THydrogen-bonded Turntrans-60-21.7-179.800000114.6E397E397-A444 HydrophobicContact CB-CB 4.33Å
445N93.4Very high95.5Very high148 Ų14839.5 Ų39.579%0.79123%0.228SC*.THydrogen-bonded Turntrans-81.3-26.6179.3-54.2-64.3000112.4D443D443-N445 PolarHBondContact O-N 3.13Å; D443-N445 VanDerWaalsContact O-N 3.15Å; D443-N445 WeakPolarHBondContact OD1-CA 3.41Å; D443-N445 WeakPolarHBondContact OD1-CB 3.21Å; D443-N445 PolarHBondContact OD1-N 2.86Å; D443-N445 PolarHBondContact OD1-ND2 2.82Å; D443-N445 PolarHBondContact OD2-ND2 2.94Å
446N93.3Very high95.3Very high60 Ų6041.4 Ų41.432%0.32124%0.243SC..SBendtrans-130.748179.566-17000111.6Y392 V441 I442 D443 T448Y392-N446 PolarHBondContact OH-O 2.94Å; V441-N446 PolarHBondContact O-ND2 2.92Å; I442-N446 WeakPolarHBondContact CA-OD1 3.41Å; D443-N446 PolarHBondContact N-OD1 2.87Å; D443-N446 CarbonylContact O-C 3.57Å; D443-N446 PolarHBondContact O-N 3.43Å; D443-N446 PolarHBondContact O-OD1 2.87Å; D443-N446 PolarHBondContact OD1-N 3.12Å; D443-N446 PolarHBondContact OD1-OD1 3.17Å; N446-T448 PolarHBondContact O-N 2.86Å; N446-T448 VanDerWaalsContact O-N 3.09Å
447K94.6Very high94.9Very high89 Ų8940.6 Ų40.639%0.38725%0.246SC..  trans-59.8-20.5-174.463170.1-171.5169.70115.2E393 L394 D443E393-K447 CarbonylContact C-O 3.55Å; E393-K447 VanDerWaalsContact CA-O 3.31Å; E393-K447 WeakPolarHBondContact CA-O 3.45Å; L394-K447 HydrophobicContact CB-CB 4.23Å; L394-K447 PolarHBondContact N-O 3Å; D443-K447 WeakPolarHBondContact O-CA 3.49Å; D443-K447 PolarHBondContact O-N 3.34Å; D443-K447 VanDerWaalsContact O-N 3.11Å
448T96.4Very high94.6Very high81 Ų8146.2 Ų46.250%0.49727%0.272SS..EExtended strand (participates in β ladder)trans-127.9149.7177.8540000110.6Y392 E393 N446Y392-T448 VanDerWaalsContact CE2-C 3.49Å; Y392-T448 VanDerWaalsContact O-CA 3.3Å; Y392-T448 WeakPolarHBondContact O-CA 3.46Å; E393-T448 HydrophobicContact CB-CG2 4.11Å; E393-T448 HydrophobicContact CG-CG2 3.97Å; N446-T448 PolarHBondContact O-N 2.86Å; N446-T448 VanDerWaalsContact O-N 3.09Å
449G95.8Very high94.3Very high6 Ų646.8 Ų46.86%0.06228%0.276CS..EExtended strand (participates in β ladder)trans-160.9165.7170.500000111.2E391 Y392 D423E391-G449 VanDerWaalsContact CA-O 3.31Å; E391-G449 WeakPolarHBondContact CA-O 3.24Å; Y392-G449 VanDerWaalsContact CE1-CA 3.41Å; Y392-G449 VanDerWaalsContact CZ-N 3.32Å; Y392-G449 PolarHBondContact N-O 2.91Å; Y392-G449 PolarHBondContact O-N 3.48Å; D423-G449 VanDerWaalsContact OD2-CA 3.3Å; D423-G449 WeakPolarHBondContact OD2-CA 3.19Å
450S97.1Very high94.1Very high33 Ų3350.7 Ų50.723%0.23130%0.296CS..EExtended strand (participates in β ladder)trans-137.5151.9-172.860.20000112.8I390 D423 W437I390-S450 CarbonylContact O-C 3.42Å; I390-S450 VanDerWaalsContact O-CA 3.31Å; I390-S450 WeakPolarHBondContact O-CA 3.42Å; D423-S450 PolarHBondContact N-O 3.01Å; D423-S450 PolarHBondContact OD2-N 3.41Å; D423-S450 PolarHBondContact OD2-OG 3.1Å; W437-S450 VanDerWaalsContact CH2-C 3.47Å; W437-S450 VanDerWaalsContact CZ2-C 3.45Å; W437-S450 WeakPolarHBondContact CZ2-O 3.45Å
451L97.2Very high94Very high0 Ų049.6 Ų49.60%029%0.286CS..EExtended strand (participates in β ladder)trans-137.5122.9170.8162.461.4000108.6I390 I408 I419 L422 L435 W437 F453I390-L451 PolarHBondContact N-O 3.5Å; I390-L451 PolarHBondContact O-N 2.89Å; I408-L451 HydrophobicContact CD1-CD2 3.87Å; I419-L451 HydrophobicContact CG2-CD1 4.04Å; L422-L451 HydrophobicContact CB-CD1 4.27Å; L422-L451 HydrophobicContact CD1-CB 4.28Å; L422-L451 HydrophobicContact CD1-CD1 3.86Å; L422-L451 HydrophobicContact CD1-CG 4.5Å; L435-L451 HydrophobicContact CD2-CD2 4.18Å; W437-L451 HydrophobicContact CB-CD2 3.72Å; W437-L451 HydrophobicContact CD2-CB 3.76Å; W437-L451 HydrophobicContact CD2-CD2 3.99Å; W437-L451 HydrophobicContact CE3-CB 3.85Å; W437-L451 HydrophobicContact CE3-CD2 4.2Å; W437-L451 HydrophobicContact CG-CB 4.32Å; W437-L451 HydrophobicContact CG-CD2 3.8Å; W437-L451 HydrophobicContact CH2-CB 4.07Å; W437-L451 HydrophobicContact CZ2-CB 4.01Å; W437-L451 HydrophobicContact CZ3-CB 4.01Å; L451-F453 HydrophobicContact CD2-CD1 4.43Å; L451-F453 HydrophobicContact CG-CD1 4.25Å
452E97Very high94Very high75 Ų7547.3 Ų47.335%0.3527%0.272SS..EExtended strand (participates in β ladder)trans-112.1134.8172.5-58.8-167.4155.700110.5V388 N389 G420 D421V388-E452 WeakPolarHBondContact O-CA 3.37Å; N389-E452 HydrophobicContact CB-CG 4.17Å; N389-E452 PolarHBondContact ND2-OE1 2.85Å; G420-E452 PolarHBondContact N-O 3.14Å; D421-E452 PolarHBondContact O-N 3.48Å
453F96.2Very high93.9Very high3 Ų348.4 Ų48.41%0.01328%0.277CS..EExtended strand (participates in β ladder)trans-150.1157.4171.169.9-87.5000112.6V388 I390 I408 V410 P417 V418 I419 L435 L451 I455 F462V388-F453 HydrophobicContact CB-CD1 4.12Å; V388-F453 HydrophobicContact CB-CD2 4.42Å; V388-F453 HydrophobicContact CB-CE1 3.66Å; V388-F453 HydrophobicContact CB-CE2 3.98Å; V388-F453 HydrophobicContact CB-CG 4.49Å; V388-F453 HydrophobicContact CB-CZ 3.58Å; V388-F453 HydrophobicContact CG1-CE1 3.74Å; V388-F453 HydrophobicContact CG1-CZ 3.8Å; V388-F453 HydrophobicContact CG2-CE1 4.36Å; V388-F453 HydrophobicContact CG2-CE2 3.84Å; V388-F453 HydrophobicContact CG2-CZ 3.76Å; V388-F453 PolarHBondContact N-O 2.74Å; V388-F453 PolarHBondContact O-N 3.24Å; I390-F453 HydrophobicContact CD1-CE1 4.02Å; I408-F453 HydrophobicContact CG2-CE1 4.37Å; I408-F453 HydrophobicContact CG2-CZ 4.1Å; V410-F453 HydrophobicContact CG1-CE2 4.3Å; P417-F453 HydrophobicContact CB-CB 4.37Å; P417-F453 HydrophobicContact CB-CD2 3.76Å; P417-F453 HydrophobicContact CB-CE2 4.49Å; P417-F453 HydrophobicContact CB-CG 4.35Å; V418-F453 CarbonylContact O-C 3.55Å; V418-F453 WeakPolarHBondContact O-CA 3.39Å; V418-F453 WeakPolarHBondContact O-CB 3.18Å; I419-F453 HydrophobicContact CD1-CB 3.69Å; L435-F453 HydrophobicContact CD2-CB 4.44Å; L435-F453 HydrophobicContact CD2-CD1 3.56Å; L435-F453 HydrophobicContact CD2-CD2 4.19Å; L435-F453 HydrophobicContact CD2-CE1 3.72Å; L435-F453 HydrophobicContact CD2-CE2 4.33Å; L435-F453 HydrophobicContact CD2-CG 3.8Å; L435-F453 HydrophobicContact CD2-CZ 4.11Å; L451-F453 HydrophobicContact CD2-CD1 4.43Å; L451-F453 HydrophobicContact CG-CD1 4.25Å; F453-I455 HydrophobicContact CD2-CG2 4.18Å; F453-I455 HydrophobicContact CE2-CG2 3.83Å; F453-F462 HydrophobicContact CE2-CD1 4.16Å; F453-F462 AromaticContact CE2-CE1 3.87Å; F453-F462 HydrophobicContact CE2-CE1 3.87Å; F453-F462 AromaticContact CZ-CD1 3.96Å; F453-F462 HydrophobicContact CZ-CD1 3.96Å; F453-F462 HydrophobicContact CZ-CE1 4.14Å
454S94.6Very high94Very high42 Ų4249.6 Ų49.629%0.29429%0.286SS..EExtended strand (participates in β ladder)trans-120.5132.1176.7-54.50000110.6C386 D387 V418C386-S454 WeakPolarHBondContact O-CA 3.22Å; D387-S454 WeakPolarHBondContact OD1-CB 3.4Å; D387-S454 PolarHBondContact OD1-OG 2.56Å; V418-S454 PolarHBondContact N-O 3.48Å; V418-S454 PolarHBondContact O-N 2.82Å
455I94.5Very high94.1Very high8 Ų847.2 Ų47.24%0.04127%0.267CS..EExtended strand (participates in β ladder)trans-151.6151.4175.1-163.9172.8000111.1C386 V410 V414 P417 F453 G457 F462C386-I455 PolarHBondContact N-O 2.8Å; C386-I455 PolarHBondContact O-N 3.16Å; V410-I455 HydrophobicContact CB-CD1 4.15Å; V414-I455 HydrophobicContact CG2-CD1 3.74Å; V414-I455 HydrophobicContact CG2-CG1 3.8Å; P417-I455 HydrophobicContact CB-CB 4.22Å; P417-I455 HydrophobicContact CB-CD1 4.09Å; F453-I455 HydrophobicContact CD2-CG2 4.18Å; F453-I455 HydrophobicContact CE2-CG2 3.83Å; I455-G457 PolarHBondContact O-N 2.98Å; I455-F462 HydrophobicContact CG2-CE1 3.5Å; I455-F462 VanDerWaalsContact CG2-CE1 3.5Å; I455-F462 HydrophobicContact CG2-CZ 3.72Å
456A92.1Very high94.3Very high40 Ų4043.6 Ų43.633%0.33125%0.247SC..SBendtrans-67.7120.1172.700000110.7P411 V414P411-A456 WeakPolarHBondContact CG-O 3.28Å; V414-A456 HydrophobicContact CB-CB 4.12Å; V414-A456 HydrophobicContact CG1-CB 4.24Å; V414-A456 WeakPolarHBondContact CG2-O 3.48Å
457G89.6Confident94.5Very high22 Ų2241.1 Ų41.123%0.22723%0.234CC..SBendtrans172.7179.6-173.700000112.7I455I455-G457 PolarHBondContact O-N 2.98Å
458Q90.9Very high94.6Very high119 Ų11939 Ų3956%0.55623%0.231SC*.  trans-111.1154.8172.8-65.1-172-1800110.7N460 D461 F462Q458-N460 PolarHBondContact O-N 3.22Å; Q458-D461 PolarHBondContact N-OD2 2.95Å; Q458-D461 WeakPolarHBondContact O-CB 3.23Å; Q458-D461 PolarHBondContact O-N 3.3Å; Q458-F462 VanDerWaalsContact O-CE2 3.26Å; Q458-F462 WeakPolarHBondContact O-CE2 3.24Å
459P89.9Confident94.6Very high30 Ų3035.5 Ų35.520%0.19521%0.209CC..G310 helixtrans-47.9-33.4177.1-34.839.1000115.6P379 E381 D461 F463P379-P459 HydrophobicContact CB-CB 3.95Å; P379-P459 HydrophobicContact CB-CG 4.29Å; P379-P459 HydrophobicContact CG-CB 3.68Å; P379-P459 HydrophobicContact CG-CG 4.41Å; E381-P459 HydrophobicContact CG-CG 3.84Å; E381-P459 WeakPolarHBondContact OE1-CD 3.22Å; P459-D461 VanDerWaalsContact C-N 3.27Å; P459-D461 PolarHBondContact O-N 2.78Å; P459-F463 WeakPolarHBondContact O-CD2 3.43Å
460N91.1Very high94.6Very high92 Ų9238 Ų3849%0.49222%0.223SC..G310 helixtrans-71.3-20.2-179.6-68.6-28.8000113.9R285 Q458 F462R285-N460 PolarHBondContact NH1-OD1 2.8Å; Q458-N460 PolarHBondContact O-N 3.22Å; N460-F462 PolarHBondContact O-N 2.77Å
461D91.8Very high94.5Very high62 Ų6236.5 Ų36.533%0.33221%0.212SC..G310 helixtrans-75.5-14.6-175.4-61.2-34.8000112.5P409 P411 Q458 P459 F463P409-D461 CarbonylContact C-O 3.55Å; P409-D461 WeakPolarHBondContact CB-O 3.44Å; P411-D461 HydrophobicContact CG-CB 3.67Å; Q458-D461 PolarHBondContact N-OD2 2.95Å; Q458-D461 WeakPolarHBondContact O-CB 3.23Å; Q458-D461 PolarHBondContact O-N 3.3Å; P459-D461 VanDerWaalsContact C-N 3.27Å; P459-D461 PolarHBondContact O-N 2.78Å; D461-F463 VanDerWaalsContact C-N 3.34Å
462F94.2Very high94.2Very high0 Ų043.3 Ų43.30%024%0.242CC..G310 helixtrans-926.1-177.7-50.2-63.5000114.1P379 C386 V388 I408 P409 F453 I455 Q458 N460 I465P379-F462 HydrophobicContact CB-CD2 3.84Å; P379-F462 HydrophobicContact CB-CE2 4.18Å; C386-F462 HydrophobicContact CB-CE2 3.78Å; C386-F462 HydrophobicContact CB-CZ 3.89Å; V388-F462 HydrophobicContact CG2-CD1 4.09Å; V388-F462 HydrophobicContact CG2-CD2 3.73Å; V388-F462 HydrophobicContact CG2-CE1 3.9Å; V388-F462 HydrophobicContact CG2-CE2 3.52Å; V388-F462 HydrophobicContact CG2-CG 4.02Å; V388-F462 HydrophobicContact CG2-CZ 3.6Å; I408-F462 HydrophobicContact CG2-CB 4.29Å; P409-F462 WeakPolarHBondContact O-CA 3.43Å; F453-F462 HydrophobicContact CE2-CD1 4.16Å; F453-F462 AromaticContact CE2-CE1 3.87Å; F453-F462 HydrophobicContact CE2-CE1 3.87Å; F453-F462 AromaticContact CZ-CD1 3.96Å; F453-F462 HydrophobicContact CZ-CD1 3.96Å; F453-F462 HydrophobicContact CZ-CE1 4.14Å; I455-F462 HydrophobicContact CG2-CE1 3.5Å; I455-F462 VanDerWaalsContact CG2-CE1 3.5Å; I455-F462 HydrophobicContact CG2-CZ 3.72Å; Q458-F462 VanDerWaalsContact O-CE2 3.26Å; Q458-F462 WeakPolarHBondContact O-CE2 3.24Å; N460-F462 PolarHBondContact O-N 2.77Å; F462-I465 VanDerWaalsContact O-CG1 3.31Å; F462-I465 WeakPolarHBondContact O-CG1 3.26Å
463F94.3Very high94Very high23 Ų2345.8 Ų45.810%0.10125%0.248CC..  trans-125.2150.4-179.4-65-89.7000110.5R285 C377 P379 P459 D461 I465 I507 E508R285-F463 HydrophobicContact CB-CE1 4.32Å; R285-F463 HydrophobicContact CB-CZ 4.41Å; R285-F463 HydrophobicContact CG-CD1 4.09Å; R285-F463 HydrophobicContact CG-CE1 3.91Å; R285-F463 HydrophobicContact CG-CZ 4.18Å; C377-F463 HydrophobicContact CB-CE1 4.29Å; C377-F463 HydrophobicContact CB-CZ 3.98Å; P379-F463 HydrophobicContact CG-CE2 4.27Å; P459-F463 WeakPolarHBondContact O-CD2 3.43Å; D461-F463 VanDerWaalsContact C-N 3.34Å; F463-I465 HydrophobicContact CD1-CD1 4.47Å; F463-I465 HydrophobicContact CD1-CG1 4.34Å; F463-I465 HydrophobicContact CE1-CD1 4.17Å; F463-I507 HydrophobicContact CE1-CG2 4.22Å; F463-E508 WeakPolarHBondContact CB-OXT 3.47Å
464P95.4Very high93.7Very high59 Ų5947.1 Ų47.138%0.38326%0.255SS..SBendcis-82.4141.20.632.7-34.9000113.2P409 N466 V506 I507P409-P464 WeakPolarHBondContact CD-O 3.22Å; P409-P464 WeakPolarHBondContact CG-O 3.38Å; P464-N466 PolarHBondContact O-ND2 2.91Å; P464-V506 HydrophobicContact CB-CG1 3.59Å; P464-V506 HydrophobicContact CG-CG1 4.47Å; P464-I507 CarbonylContact C-O 3.25Å; P464-I507 WeakPolarHBondContact CA-O 3.36Å; P464-I507 WeakPolarHBondContact CB-O 3.29Å
465I97.1Very high93.7Very high0 Ų045.4 Ų45.40%024%0.242CC..EExtended strand (participates in β ladder)trans-82.3133173.9-58172000108.5C377 I390 I406 S407 I408 F462 F463 V506 I507C377-I465 HydrophobicContact CB-CD1 3.46Å; C377-I465 VanDerWaalsContact CB-CD1 3.46Å; I390-I465 HydrophobicContact CD1-CD1 4.37Å; I406-I465 HydrophobicContact CG2-CG2 3.53Å; S407-I465 WeakPolarHBondContact O-CA 3.25Å; I408-I465 HydrophobicContact CG1-CG1 4.49Å; I408-I465 HydrophobicContact CG1-CG2 4.26Å; F462-I465 VanDerWaalsContact O-CG1 3.31Å; F462-I465 WeakPolarHBondContact O-CG1 3.26Å; F463-I465 HydrophobicContact CD1-CD1 4.47Å; F463-I465 HydrophobicContact CD1-CG1 4.34Å; F463-I465 HydrophobicContact CE1-CD1 4.17Å; I465-V506 WeakPolarHBondContact O-CA 3.03Å; I465-I507 HydrophobicContact CB-CB 4.24Å; I465-I507 HydrophobicContact CB-CD1 4.03Å; I465-I507 HydrophobicContact CG2-CD1 4.07Å; I465-I507 PolarHBondContact N-O 2.87Å; I465-I507 PolarHBondContact O-N 2.88Å
466N97.5Very high93.6Very high72 Ų7245 Ų4539%0.38524%0.24SC..EExtended strand (participates in β ladder)trans-112.9135177.9-63.6-96.5000110.1I406 S407 P464 Y505 V506I406-N466 CarbonylContact C-O 3.59Å; S407-N466 PolarHBondContact N-O 2.79Å; S407-N466 PolarHBondContact O-N 2.9Å; P464-N466 PolarHBondContact O-ND2 2.91Å; N466-Y505 WeakPolarHBondContact CA-O 3.19Å; N466-V506 WeakPolarHBondContact OD1-CG2 2.69Å
467V97.4Very high93.5Very high7 Ų745.8 Ų45.84%0.04224%0.239CC..EExtended strand (participates in β ladder)trans-112.3140.8176.1-171.70000109.2L373 I375 V404 V405 I406 F469 V502 Y505 I507L373-V467 HydrophobicContact CD2-CG1 4.15Å; I375-V467 HydrophobicContact CD1-CG2 4.4Å; I375-V467 HydrophobicContact CG1-CG2 3.77Å; V404-V467 HydrophobicContact CG1-CG1 4.41Å; V405-V467 CarbonylContact O-C 3.6Å; V405-V467 WeakPolarHBondContact O-CA 3.48Å; I406-V467 HydrophobicContact CG1-CG1 4.24Å; I406-V467 HydrophobicContact CG1-CG2 4.33Å; V467-F469 HydrophobicContact CG1-CD1 4.12Å; V467-V502 WeakPolarHBondContact O-CG1 3.46Å; V467-Y505 HydrophobicContact CB-CD1 3.66Å; V467-Y505 HydrophobicContact CB-CE1 4.34Å; V467-Y505 HydrophobicContact CB-CG 3.9Å; V467-Y505 HydrophobicContact CG2-CD1 3.64Å; V467-Y505 HydrophobicContact CG2-CE1 4.06Å; V467-Y505 HydrophobicContact CG2-CG 4.4Å; V467-Y505 PolarHBondContact N-O 3.38Å; V467-Y505 WeakPolarHBondContact O-CB 3.12Å; V467-I507 HydrophobicContact CG2-CD1 3.93Å
468S96.8Very high93.6Very high46 Ų4644.8 Ų44.832%0.32223%0.228SC..EExtended strand (participates in β ladder)trans-135.9143.8169.466.10000109.7V404 V405V404-S468 CarbonylContact C-O 3.57Å; V404-S468 VanDerWaalsContact CA-O 3.32Å; V404-S468 WeakPolarHBondContact CA-O 3.46Å; V405-S468 PolarHBondContact N-O 2.9Å; V405-S468 PolarHBondContact O-N 2.84Å
469F96.4Very high93.6Very high6 Ų644.1 Ų44.13%0.02623%0.225CC..EExtended strand (participates in β ladder)trans-160.7168175.359-106000109.6I279 L401 V404 V467 F500 V502 Y505I279-F469 HydrophobicContact CG2-CZ 4.13Å; L401-F469 HydrophobicContact CB-CB 4.23Å; L401-F469 HydrophobicContact CB-CD2 4.48Å; L401-F469 HydrophobicContact CB-CG 4.33Å; L401-F469 HydrophobicContact CD1-CD1 4.12Å; L401-F469 HydrophobicContact CD1-CE1 4.28Å; L401-F469 HydrophobicContact CD1-CG 4.26Å; L401-F469 HydrophobicContact CD2-CD2 3.74Å; L401-F469 HydrophobicContact CD2-CE2 3.77Å; L401-F469 HydrophobicContact CD2-CG 4.25Å; L401-F469 HydrophobicContact CD2-CZ 4.28Å; L401-F469 HydrophobicContact CG-CD2 4.47Å; V404-F469 HydrophobicContact CB-CB 4.32Å; V404-F469 HydrophobicContact CG1-CB 4.34Å; V404-F469 HydrophobicContact CG2-CB 3.82Å; V467-F469 HydrophobicContact CG1-CD1 4.12Å; F469-F500 AromaticContact CE2-CD1 3.78Å; F469-F500 HydrophobicContact CE2-CD1 3.78Å; F469-F500 AromaticContact CE2-CE1 3.46Å; F469-F500 HydrophobicContact CE2-CE1 3.46Å; F469-F500 VanDerWaalsContact CE2-CE1 3.46Å; F469-F500 HydrophobicContact CE2-CZ 4.08Å; F469-F500 AromaticContact CZ-CE1 3.78Å; F469-F500 HydrophobicContact CZ-CE1 3.78Å; F469-F500 HydrophobicContact CZ-CZ 4.12Å; F469-V502 HydrophobicContact CD1-CG2 3.56Å; F469-V502 HydrophobicContact CD2-CG2 3.92Å; F469-V502 HydrophobicContact CE1-CG2 3.43Å; F469-V502 VanDerWaalsContact CE1-CG2 3.43Å; F469-V502 HydrophobicContact CE2-CG2 3.79Å; F469-V502 HydrophobicContact CG-CG2 3.81Å; F469-V502 HydrophobicContact CZ-CG2 3.55Å; F469-Y505 HydrophobicContact CE1-CD2 4.19Å; F469-Y505 HydrophobicContact CE1-CE2 4.25Å
470V95.1Very high93.7Very high59 Ų5943.6 Ų43.636%0.35822%0.221SC..EExtended strand (participates in β ladder)trans-130.2139.8170.1-179.90000109.2N402 F500 V501N402-V470 WeakPolarHBondContact CA-O 3.37Å; N402-V470 WeakPolarHBondContact CB-O 3.24Å; N402-V470 PolarHBondContact N-O 2.85Å; N402-V470 PolarHBondContact O-N 3.4Å; V470-F500 CarbonylContact C-O 3.56Å; V470-F500 WeakPolarHBondContact CA-O 3.34Å; V470-V501 HydrophobicContact CG1-CG1 4.15Å; V470-V501 HydrophobicContact CG2-CG1 4.23Å
471S95Very high93.7Very high1 Ų143.1 Ų43.11%0.00722%0.222CC..EExtended strand (participates in β ladder)trans-127.6145.1172.6162.70000110.2E400 R473 S499 F500E400-S471 WeakPolarHBondContact O-CB 3.26Å; E400-S471 PolarHBondContact O-OG 2.87Å; S471-R473 VanDerWaalsContact C-N 3.31Å; S471-R473 PolarHBondContact OG-N 3.14Å; S471-R473 PolarHBondContact OG-O 2.89Å; S471-S499 CarbonylContact O-C 3.42Å; S471-S499 WeakPolarHBondContact O-CA 3.31Å; S471-F500 PolarHBondContact N-O 2.99Å; S471-F500 PolarHBondContact O-N 3.38Å
472K91.9Very high93.8Very high143 Ų14343.9 Ų43.962%0.62222%0.222SC*.SBendtrans-87.3-5.2171.4-67.3176.2-176.3162.40112.6T498K472-T498 WeakPolarHBondContact O-CG2 3.45Å
473R92.1Very high93.8Very high128 Ų12843.9 Ų43.948%0.48322%0.222SC..SBendtrans-105.2144.6175-60-175.3-174.4-173.96.4109.5N398 L399 E400 S471 F500N398-R473 WeakPolarHBondContact O-CD 3.49Å; N398-R473 PolarHBondContact O-NH1 2.93Å; L399-R473 HydrophobicContact CD2-CB 4.14Å; E400-R473 IonicContact OE2-NH2 2.63Å; S471-R473 VanDerWaalsContact C-N 3.31Å; S471-R473 PolarHBondContact OG-N 3.14Å; S471-R473 PolarHBondContact OG-O 2.89Å; R473-F500 VanDerWaalsContact O-CB 3.28Å; R473-F500 WeakPolarHBondContact O-CB 3.41Å
474N90.8Very high93.8Very high30 Ų3043.2 Ų43.216%0.1622%0.22CC..  trans-75.2147.5173.8-68-30.3000110.7V275 E277 L399 C476 I478 T498V275-N474 WeakPolarHBondContact CG1-ND2 3.21Å; E277-N474 WeakPolarHBondContact OE2-CA 3.49Å; E277-N474 WeakPolarHBondContact OE2-CB 3.35Å; L399-N474 WeakPolarHBondContact CD2-O 3.38Å; N474-C476 WeakPolarHBondContact CB-O 3.37Å; N474-I478 PolarHBondContact ND2-O 3.25Å; N474-I478 VanDerWaalsContact ND2-O 3.12Å; N474-T498 VanDerWaalsContact CG-CG2 3.44Å; N474-T498 WeakPolarHBondContact OD1-CG2 3.36Å
475Y94.3Very high93.6Very high7 Ų742.5 Ų42.53%0.02721%0.212CC..SBendtrans-74.9-39.4166.9174.5-87.2000111.2E277 M292 V294 K320 L363 L370 P372 E396 L399 F500E277-Y475 WeakPolarHBondContact OE2-CB 3.4Å; E277-Y475 PolarHBondContact OE2-N 3.3Å; M292-Y475 HydrophobicContact CE-CD1 4.48Å; M292-Y475 HydrophobicContact CE-CE1 3.76Å; M292-Y475 HydrophobicContact CE-CE2 3.99Å; V294-Y475 HydrophobicContact CB-CD1 4.46Å; V294-Y475 HydrophobicContact CG1-CD1 4.31Å; V294-Y475 HydrophobicContact CG2-CD1 3.87Å; V294-Y475 HydrophobicContact CG2-CE1 4.11Å; K320-Y475 HydrophobicContact CD-CE1 3.7Å; K320-Y475 PolarHBondContact NZ-O 2.82Å; L363-Y475 HydrophobicContact CD2-CD1 4.41Å; L363-Y475 HydrophobicContact CD2-CE1 3.58Å; L370-Y475 PolarHBondContact O-OH 2.79Å; P372-Y475 HydrophobicContact CB-CD2 4.01Å; P372-Y475 HydrophobicContact CB-CE2 3.95Å; P372-Y475 HydrophobicContact CG-CD2 4.47Å; P372-Y475 HydrophobicContact CG-CE2 4.37Å; E396-Y475 HydrophobicContact CG-CD2 4.44Å; E396-Y475 HydrophobicContact CG-CE2 3.88Å; L399-Y475 HydrophobicContact CD1-CD2 3.95Å; Y475-F500 HydrophobicContact CD2-CE1 4.49Å; Y475-F500 HydrophobicContact CD2-CZ 4.39Å; Y475-F500 HydrophobicContact CG-CZ 4.23Å
476C92.6Very high93.2Very high0 Ų043.9 Ų43.90%022%0.22CC..SBendtrans-91.5132.7172.3-48.40000110.1E277 D318 L322 N474 I478E277-C476 WeakPolarHBondContact OE1-CB 3.44Å; E277-C476 PolarHBondContact OE1-N 3.16Å; E277-C476 PolarHBondContact OE1-SG 2.98Å; E277-C476 PolarHBondContact OE2-N 3.29Å; D318-C476 WeakPolarHBondContact OD2-CA 3.42Å; L322-C476 HydrophobicContact CD1-CB 3.82Å; L322-C476 HydrophobicContact CD2-CB 4.19Å; L322-C476 VanDerWaalsContact CD2-SG 3.58Å; N474-C476 WeakPolarHBondContact CB-O 3.37Å; C476-I478 PolarHBondContact O-N 3.33Å
477D90.3Very high92.4Very high55 Ų5545.1 Ų45.129%0.29423%0.227SC..  trans-78.364.9-179.1-166.117.5000112.7N317 D318 Q479N317-D477 HydrophobicContact CB-CB 4.42Å; N317-D477 VanDerWaalsContact CB-OD2 3.31Å; N317-D477 WeakPolarHBondContact CB-OD2 3.5Å; N317-D477 PolarHBondContact N-O 2.95Å; N317-D477 VanDerWaalsContact N-O 3.11Å; N317-D477 PolarHBondContact ND2-OD2 2.87Å; D318-D477 HydrophobicContact CB-CB 4.44Å; D318-D477 PolarHBondContact OD2-N 3.06Å; D477-Q479 PolarHBondContact OD1-NE2 2.69Å
478I91.4Very high91Very high2 Ų247.4 Ų47.41%0.0125%0.252CS..EExtended strand (participates in β ladder)trans-110.6122.7172.7-66.1178000108.7I314 N315 N316 L322 L324 L359 W361 N474 C476I314-I478 HydrophobicContact CG2-CG2 3.87Å; N315-I478 WeakPolarHBondContact O-CA 3.34Å; N316-I478 HydrophobicContact CB-CG1 4.36Å; L322-I478 HydrophobicContact CD1-CD1 3.55Å; L322-I478 HydrophobicContact CD1-CG1 4Å; L324-I478 HydrophobicContact CD2-CD1 3.83Å; L359-I478 HydrophobicContact CD2-CG2 4.46Å; W361-I478 HydrophobicContact CB-CD1 4.2Å; W361-I478 HydrophobicContact CD2-CD1 3.56Å; W361-I478 HydrophobicContact CE3-CD1 3.88Å; W361-I478 HydrophobicContact CG-CD1 3.74Å; W361-I478 HydrophobicContact CH2-CB 4.48Å; W361-I478 HydrophobicContact CH2-CG2 4.1Å; W361-I478 HydrophobicContact CZ2-CB 4.4Å; W361-I478 HydrophobicContact CZ2-CD1 4.43Å; W361-I478 HydrophobicContact CZ3-CD1 4.44Å; W361-I478 HydrophobicContact CZ3-CG2 4.1Å; N474-I478 PolarHBondContact ND2-O 3.25Å; N474-I478 VanDerWaalsContact ND2-O 3.12Å; C476-I478 PolarHBondContact O-N 3.33Å
479Q90.8Very high89.8Confident105 Ų10549.7 Ų49.749%0.49126%0.261SS..EExtended strand (participates in β ladder)trans-138.4144.4-178.4-58.7-176.820.800111.3I314 N315 D477I314-Q479 WeakPolarHBondContact CA-O 3.39Å; N315-Q479 PolarHBondContact N-O 2.74Å; N315-Q479 PolarHBondContact O-N 3.16Å; D477-Q479 PolarHBondContact OD1-NE2 2.69Å
480V92Very high89.4Confident19 Ų1952.4 Ų52.412%0.11528%0.281CS..EExtended strand (participates in β ladder)trans-88.8114169.6-169.30000108.8L273 V298 L312 I314 V483L273-V480 HydrophobicContact CD1-CB 3.73Å; L273-V480 HydrophobicContact CD1-CG1 3.55Å; L273-V480 HydrophobicContact CD1-CG2 3.89Å; V298-V480 HydrophobicContact CG1-CG2 4.22Å; V298-V480 HydrophobicContact CG2-CG2 4.41Å; L312-V480 HydrophobicContact CB-CG1 4.15Å; I314-V480 HydrophobicContact CD1-CB 4.26Å; I314-V480 HydrophobicContact CD1-CG1 4.22Å; I314-V480 HydrophobicContact CD1-CG2 3.59Å; V480-V483 HydrophobicContact CG1-CG2 4.49Å
481T91.4Very high89.1Confident82 Ų8254 Ų5450%0.50329%0.294SS..EExtended strand (participates in β ladder)trans-95.2-35.7-171.353.80000113.2A313 N315A313-T481 PolarHBondContact O-N 2.93Å; A313-T481 PolarHBondContact O-OG1 2.93Å; N315-T481 HydrophobicContact CB-CG2 3.58Å
482K92.9Very high89Confident77 Ų7754.2 Ų54.234%0.33530%0.296SS..EExtended strand (participates in β ladder)trans-144.7141.5-176.4-170.5-173.1176.8-160.10110.6A313 D489A313-K482 HydrophobicContact CB-CB 4.02Å; A313-K482 PolarHBondContact N-O 3.43Å; K482-D489 IonicContact NZ-OD1 3.88Å; K482-D489 IonicContact NZ-OD2 3.64Å; K482-D489 PolarHBondContact NZ-OD2 3.41Å
483V94.4Very high89Confident0 Ų056.6 Ų56.60%030%0.301CS..EExtended strand (participates in β ladder)trans-117130.6165.6-176.10000108.3V271 L273 I310 R311 L312 V480 V492 F494V271-V483 HydrophobicContact CG1-CG1 4.37Å; L273-V483 HydrophobicContact CD1-CG2 4.3Å; I310-V483 HydrophobicContact CB-CG1 4.06Å; I310-V483 HydrophobicContact CD1-CG1 3.9Å; I310-V483 HydrophobicContact CG2-CG1 4.3Å; R311-V483 WeakPolarHBondContact O-CA 3.43Å; L312-V483 HydrophobicContact CD2-CB 4.3Å; L312-V483 HydrophobicContact CD2-CG1 3.96Å; L312-V483 HydrophobicContact CD2-CG2 3.54Å; V480-V483 HydrophobicContact CG1-CG2 4.49Å; V483-V492 HydrophobicContact CB-CB 4.29Å; V483-V492 HydrophobicContact CG1-CB 3.92Å; V483-V492 HydrophobicContact CG1-CG1 4.46Å; V483-V492 HydrophobicContact CG1-CG2 4.47Å; V483-V492 PolarHBondContact O-N 3.28Å; V483-F494 HydrophobicContact CB-CD1 3.91Å; V483-F494 HydrophobicContact CB-CE1 4.48Å; V483-F494 HydrophobicContact CB-CG 4.42Å; V483-F494 HydrophobicContact CG2-CB 4Å; V483-F494 HydrophobicContact CG2-CD1 3.4Å; V483-F494 VanDerWaalsContact CG2-CD1 3.4Å; V483-F494 HydrophobicContact CG2-CD2 4.25Å; V483-F494 HydrophobicContact CG2-CE1 3.84Å; V483-F494 HydrophobicContact CG2-CG 3.62Å; V483-F494 HydrophobicContact CG2-CZ 4.42Å
484S94Very high89.1Confident9 Ų953.2 Ų53.26%0.06329%0.29CS..EExtended strand (participates in β ladder)trans-137.9156179.262.90000113.2I310 R311 D489 S490I310-S484 CarbonylContact C-O 3.58Å; I310-S484 WeakPolarHBondContact CA-O 3.29Å; R311-S484 PolarHBondContact N-O 2.93Å; R311-S484 PolarHBondContact O-N 2.77Å; S484-D489 WeakPolarHBondContact CB-OD1 3.5Å; S484-D489 PolarHBondContact OG-OD1 3.24Å; S484-S490 CarbonylContact C-O 3.56Å; S484-S490 VanDerWaalsContact CA-O 3.24Å; S484-S490 WeakPolarHBondContact CA-O 3.44Å; S484-S490 WeakPolarHBondContact CB-O 3.41Å
485H91.9Very high89.2Confident44 Ų4452.4 Ų52.420%0.20429%0.286CS..EExtended strand (participates in β ladder)trans-72.4146173.8-75-74.2000112.1K306 N307 D487 D489 S490 V492K306-H485 PolarHBondContact O-CE1 3.31Å; N307-H485 PolarHBondContact OD1-CE1 2.87Å; N307-H485 PolarHBondContact OD1-NE2 2.88Å; H485-D487 PolarHBondContact O-N 3.2Å; H485-D489 WeakPolarHBondContact O-CA 3.34Å; H485-D489 PolarHBondContact O-N 3.47Å; H485-D489 VanDerWaalsContact O-N 3.12Å; H485-S490 PolarHBondContact CD2-OG 3.27Å; H485-S490 VanDerWaalsContact CD2-OG 3.31Å; H485-S490 PolarHBondContact N-O 3.18Å; H485-V492 WeakPolarHBondContact CD2-CG2 3.17Å; H485-V492 WeakPolarHBondContact NE2-CG2 3.03Å
486V88.4Confident89.1Confident29 Ų2954.4 Ų54.418%0.17630%0.301CS..THydrogen-bonded Turntrans-63.2-40.1177.3175.90000112.1R309 R311 P346 G488R309-V486 HydrophobicContact CB-CB 4.39Å; R309-V486 HydrophobicContact CB-CG2 4.23Å; R309-V486 PolarHBondContact O-N 2.71Å; R309-V486 VanDerWaalsContact O-N 3.15Å; R311-V486 HydrophobicContact CG-CG2 4.04Å; P346-V486 HydrophobicContact CB-CG1 3.81Å; V486-G488 PolarHBondContact O-N 3.28Å
487D79.8Confident89.1Confident98 Ų9856.7 Ų56.752%0.52431%0.312SS..THydrogen-bonded Turntrans-87.6-1.7-167.2-57-40.7000114.8R309 H485R309-D487 IonicContact CZ-OD2 3.96Å; R309-D487 IonicContact NE-OD2 3.07Å; R309-D487 PolarHBondContact NE-OD2 3.18Å; R309-D487 IonicContact NH1-OD2 2.7Å; R309-D487 IonicContact NH2-OD2 3.06Å; R309-D487 PolarHBondContact NH2-OD2 2.87Å; H485-D487 PolarHBondContact O-N 3.2Å
488G68.6Low89.3Confident56 Ų5656.4 Ų56.458%0.57731%0.312SS*.THydrogen-bonded Turntrans-165.38.3-176.300000116.8V486 S490V486-G488 PolarHBondContact O-N 3.28Å; G488-S490 PolarHBondContact O-N 3.14Å
489D72.1Confident89.4Confident93 Ų9358 Ų5850%0.49732%0.324SS..  trans48.718-176.6-158.241000115.6K482 S484 H485 S491K482-D489 IonicContact NZ-OD1 3.88Å; K482-D489 IonicContact NZ-OD2 3.64Å; K482-D489 PolarHBondContact NZ-OD2 3.41Å; S484-D489 WeakPolarHBondContact CB-OD1 3.5Å; S484-D489 PolarHBondContact OG-OD1 3.24Å; H485-D489 WeakPolarHBondContact O-CA 3.34Å; H485-D489 PolarHBondContact O-N 3.47Å; H485-D489 VanDerWaalsContact O-N 3.12Å; D489-S491 PolarHBondContact O-N 3.02Å
490S87Confident89.6Confident64 Ų6453 Ų5345%0.44830%0.3SS..PPolyproline II helixtrans-65.6133.9174.4500000109.4S484 H485 G488S484-S490 CarbonylContact C-O 3.56Å; S484-S490 VanDerWaalsContact CA-O 3.24Å; S484-S490 WeakPolarHBondContact CA-O 3.44Å; S484-S490 WeakPolarHBondContact CB-O 3.41Å; H485-S490 PolarHBondContact CD2-OG 3.27Å; H485-S490 VanDerWaalsContact CD2-OG 3.31Å; H485-S490 PolarHBondContact N-O 3.18Å; G488-S490 PolarHBondContact O-N 3.14Å
491S89.5Confident89.8Confident91 Ų9153.8 Ų53.864%0.63631%0.305SS*.BIsolated β-bridgetrans-67.6135-177.7-164.50000110.7D489D489-S491 PolarHBondContact O-N 3.02Å
492V92.6Very high90.1Very high7 Ų751.4 Ų51.44%0.04229%0.29CS..PPolyproline II helixtrans-103.9133.5174.7-176.60000108.4V271 N307 I310 V483 H485V271-V492 HydrophobicContact CG2-CG1 3.87Å; N307-V492 HydrophobicContact CB-CG1 4.42Å; I310-V492 HydrophobicContact CG2-CG2 4.03Å; V483-V492 HydrophobicContact CB-CB 4.29Å; V483-V492 HydrophobicContact CG1-CB 3.92Å; V483-V492 HydrophobicContact CG1-CG1 4.46Å; V483-V492 HydrophobicContact CG1-CG2 4.47Å; V483-V492 PolarHBondContact O-N 3.28Å; H485-V492 WeakPolarHBondContact CD2-CG2 3.17Å; H485-V492 WeakPolarHBondContact NE2-CG2 3.03Å
493R92.4Very high90.1Very high192 Ų19252.7 Ų52.773%0.72530%0.301SS*.PPolyproline II helixtrans-72.3131.3173.2-161.4-177.7-171.4173.51.7108.9E269E269-R493 WeakPolarHBondContact OE1-CD 3.33Å; E269-R493 IonicContact OE1-CZ 2.88Å; E269-R493 IonicContact OE1-NE 2.7Å; E269-R493 PolarHBondContact OE1-NE 3.39Å; E269-R493 IonicContact OE1-NH1 3.68Å
494F93.6Very high90.2Very high58 Ų5856.9 Ų56.925%0.25432%0.319SS..  trans-134.9160.8178.971.6-83000110.5V271 L273 V483V271-F494 HydrophobicContact CB-CB 3.99Å; V271-F494 HydrophobicContact CG1-CB 3.94Å; V271-F494 VanDerWaalsContact O-CA 3.27Å; V271-F494 WeakPolarHBondContact O-CA 3.26Å; V271-F494 WeakPolarHBondContact O-CB 3.44Å; L273-F494 HydrophobicContact CD1-CD2 3.56Å; L273-F494 HydrophobicContact CD1-CE2 3.75Å; L273-F494 HydrophobicContact CD1-CG 4.36Å; L273-F494 HydrophobicContact CG-CD2 4.35Å; V483-F494 HydrophobicContact CB-CD1 3.91Å; V483-F494 HydrophobicContact CB-CE1 4.48Å; V483-F494 HydrophobicContact CB-CG 4.42Å; V483-F494 HydrophobicContact CG2-CB 4Å; V483-F494 HydrophobicContact CG2-CD1 3.4Å; V483-F494 VanDerWaalsContact CG2-CD1 3.4Å; V483-F494 HydrophobicContact CG2-CD2 4.25Å; V483-F494 HydrophobicContact CG2-CE1 3.84Å; V483-F494 HydrophobicContact CG2-CG 3.62Å; V483-F494 HydrophobicContact CG2-CZ 4.42Å
495S93.9Very high90.3Very high12 Ų1256.7 Ų56.78%0.08432%0.317CS..EExtended strand (participates in β ladder)trans-112.8148.5170550000108.6N267 E269 V271 H272 L273N267-S495 WeakPolarHBondContact O-CB 3.45Å; E269-S495 PolarHBondContact N-OG 3.19Å; V271-S495 PolarHBondContact O-N 3.08Å; V271-S495 PolarHBondContact O-OG 2.87Å; H272-S495 WeakPolarHBondContact CA-O 3.34Å; H272-S495 PolarHBondContact ND1-OG 3.25Å; L273-S495 PolarHBondContact N-O 2.98Å
496S92.3Very high90.5Very high50 Ų5055 Ų5535%0.3531%0.31SS..EExtended strand (participates in β ladder)trans-136.6142.7174.4-168.60000111.2L273L273-S496 CarbonylContact O-C 3.57Å; L273-S496 WeakPolarHBondContact O-CA 3.09Å; L273-S496 PolarHBondContact O-OG 2.77Å; L273-S496 VanDerWaalsContact O-OG 3.05Å
497E92.7Very high90.9Very high47 Ų4754 Ų5422%0.2230%0.304CS..EExtended strand (participates in β ladder)trans-118.313916864.2-175.3176.100109.5V266 H272 L273 R274 V275V266-E497 HydrophobicContact CG2-CB 4.42Å; H272-E497 IonicContact NE2-OE1 3.57Å; H272-E497 PolarHBondContact NE2-OE1 2.9Å; L273-E497 PolarHBondContact O-N 2.95Å; R274-E497 HydrophobicContact CB-CG 4Å; R274-E497 HydrophobicContact CG-CG 4.02Å; R274-E497 IonicContact CZ-OE1 3.53Å; R274-E497 IonicContact NE-OE1 3.19Å; R274-E497 PolarHBondContact NE-OE1 2.9Å; R274-E497 IonicContact NH2-OE1 3.2Å; R274-E497 PolarHBondContact NH2-OE1 3.01Å; V275-E497 PolarHBondContact N-O 2.92Å
498T92.5Very high91.3Very high50 Ų5053.8 Ų53.831%0.30730%0.299SS..EExtended strand (participates in β ladder)trans-127.4130.9-175.7-57.10000109.6V275 K472 N474V275-T498 HydrophobicContact CB-CG2 4.33Å; V275-T498 HydrophobicContact CG1-CG2 4.4Å; V275-T498 CarbonylContact O-C 3.57Å; V275-T498 VanDerWaalsContact O-CA 3.29Å; V275-T498 WeakPolarHBondContact O-CA 3.4Å; K472-T498 WeakPolarHBondContact O-CG2 3.45Å; N474-T498 VanDerWaalsContact CG-CG2 3.44Å; N474-T498 WeakPolarHBondContact OD1-CG2 3.36Å
499S93.8Very high92.5Very high35 Ų3553.7 Ų53.725%0.24529%0.285CS..EExtended strand (participates in β ladder)trans-145.7127-179.761.50000111.6V275 E276 E277 S471V275-S499 PolarHBondContact O-N 2.68Å; E276-S499 CarbonylContact C-O 3.5Å; E276-S499 WeakPolarHBondContact CA-O 3.35Å; E277-S499 PolarHBondContact N-O 3.42Å; S471-S499 CarbonylContact O-C 3.42Å; S471-S499 WeakPolarHBondContact O-CA 3.31Å
500F96.1Very high93.6Very high0 Ų051.6 Ų51.60%027%0.274CS..EExtended strand (participates in β ladder)trans-111.1121168.7174.2-134.8000108.8E277 I279 V294 L399 F469 V470 S471 R473 Y475E277-F500 HydrophobicContact CB-CB 4.37Å; E277-F500 HydrophobicContact CB-CD2 3.64Å; E277-F500 HydrophobicContact CB-CE2 4.41Å; E277-F500 HydrophobicContact CB-CG 4.43Å; E277-F500 WeakPolarHBondContact O-CA 3.29Å; I279-F500 HydrophobicContact CB-CE2 3.66Å; I279-F500 HydrophobicContact CB-CZ 3.77Å; I279-F500 HydrophobicContact CD1-CZ 4.19Å; I279-F500 HydrophobicContact CG2-CE2 3.78Å; I279-F500 HydrophobicContact CG2-CZ 3.69Å; V294-F500 HydrophobicContact CG1-CE2 4.44Å; L399-F500 HydrophobicContact CD1-CD1 4.5Å; L399-F500 HydrophobicContact CD1-CE1 4.14Å; L399-F500 HydrophobicContact CD2-CD1 4.48Å; F469-F500 AromaticContact CE2-CD1 3.78Å; F469-F500 HydrophobicContact CE2-CD1 3.78Å; F469-F500 AromaticContact CE2-CE1 3.46Å; F469-F500 HydrophobicContact CE2-CE1 3.46Å; F469-F500 VanDerWaalsContact CE2-CE1 3.46Å; F469-F500 HydrophobicContact CE2-CZ 4.08Å; F469-F500 AromaticContact CZ-CE1 3.78Å; F469-F500 HydrophobicContact CZ-CE1 3.78Å; F469-F500 HydrophobicContact CZ-CZ 4.12Å; V470-F500 CarbonylContact C-O 3.56Å; V470-F500 WeakPolarHBondContact CA-O 3.34Å; S471-F500 PolarHBondContact N-O 2.99Å; S471-F500 PolarHBondContact O-N 3.38Å; R473-F500 VanDerWaalsContact O-CB 3.28Å; R473-F500 WeakPolarHBondContact O-CB 3.41Å; Y475-F500 HydrophobicContact CD2-CE1 4.49Å; Y475-F500 HydrophobicContact CD2-CZ 4.39Å; Y475-F500 HydrophobicContact CG-CZ 4.23Å
501V95.8Very high93.9Very high35 Ų3550.9 Ų50.921%0.21226%0.264CS..EExtended strand (participates in β ladder)trans-131.5155.5-174-60.20000111.6E277 K278 I279 V470E277-V501 PolarHBondContact O-N 2.96Å; K278-V501 VanDerWaalsContact CA-O 3.28Å; K278-V501 WeakPolarHBondContact CA-O 3.28Å; K278-V501 HydrophobicContact CD-CG2 4.47Å; K278-V501 HydrophobicContact CG-CG2 3.86Å; I279-V501 PolarHBondContact N-O 3.24Å; V470-V501 HydrophobicContact CG1-CG1 4.15Å; V470-V501 HydrophobicContact CG2-CG1 4.23Å
502V96.9Very high94.2Very high32 Ų3248.5 Ų48.519%0.19424%0.242CC..EExtended strand (participates in β ladder)trans-84.9126.5173.7179.60000110.5I279 V467 F469I279-V502 HydrophobicContact CG2-CB 4.3Å; I279-V502 HydrophobicContact CG2-CG1 4.49Å; I279-V502 HydrophobicContact CG2-CG2 3.89Å; V467-V502 WeakPolarHBondContact O-CG1 3.46Å; F469-V502 HydrophobicContact CD1-CG2 3.56Å; F469-V502 HydrophobicContact CD2-CG2 3.92Å; F469-V502 HydrophobicContact CE1-CG2 3.43Å; F469-V502 VanDerWaalsContact CE1-CG2 3.43Å; F469-V502 HydrophobicContact CE2-CG2 3.79Å; F469-V502 HydrophobicContact CG-CG2 3.81Å; F469-V502 HydrophobicContact CZ-CG2 3.55Å
503D94.2Very high94.3Very high105 Ų10551.1 Ų51.156%0.56126%0.255SS*.EExtended strand (participates in β ladder)trans-96.3-41.7166.6-167.346.7000110.5K278 I279 L280K278-D503 HydrophobicContact CB-CB 4.26Å; K278-D503 HydrophobicContact CD-CB 4.48Å; I279-D503 PolarHBondContact O-N 3.18Å; L280-D503 HydrophobicContact CD1-CB 4.16Å; L280-D503 HydrophobicContact CG-CB 4.13Å
504K95.5Very high94.4Very high88 Ų8841.7 Ų41.738%0.38322%0.224SC..EExtended strand (participates in β ladder)trans-147.4130.4169.9-176.2-177.2179.7-158.80109.5I279 L280 L281 S282 V506I279-K504 PolarHBondContact O-N 3.48Å; L280-K504 CarbonylContact C-O 3.57Å; L280-K504 WeakPolarHBondContact CA-O 3.3Å; L280-K504 HydrophobicContact CG-CB 4.43Å; L281-K504 PolarHBondContact N-O 3.32Å; S282-K504 PolarHBondContact OG-NZ 3.19Å; S282-K504 VanDerWaalsContact OG-NZ 3.14Å; K504-V506 HydrophobicContact CD-CG2 4.29Å; K504-V506 HydrophobicContact CG-CG2 3.69Å
505Y97.3Very high94.5Very high5 Ų540.6 Ų40.62%0.0222%0.221CC..EExtended strand (participates in β ladder)trans-144.5103.4171.5-158.9-63.9000108.5I279 L281 I371 P372 L373 N466 V467 F469 I507I279-Y505 HydrophobicContact CD1-CD2 4.36Å; I279-Y505 HydrophobicContact CD1-CE2 4.1Å; I279-Y505 HydrophobicContact CG2-CD2 4.4Å; L281-Y505 HydrophobicContact CB-CD2 4Å; L281-Y505 HydrophobicContact CB-CE2 4.12Å; L281-Y505 HydrophobicContact CB-CG 4.28Å; L281-Y505 HydrophobicContact CD1-CD2 4.46Å; L281-Y505 HydrophobicContact CD1-CE1 4.38Å; L281-Y505 HydrophobicContact CD1-CE2 3.75Å; L281-Y505 HydrophobicContact CD2-CD1 3.75Å; L281-Y505 HydrophobicContact CD2-CD2 4.38Å; L281-Y505 HydrophobicContact CD2-CE1 3.5Å; L281-Y505 VanDerWaalsContact CD2-CE1 3.5Å; L281-Y505 HydrophobicContact CD2-CE2 4.15Å; L281-Y505 HydrophobicContact CD2-CG 4.19Å; L281-Y505 HydrophobicContact CG-CE1 4.43Å; L281-Y505 HydrophobicContact CG-CE2 4.23Å; L281-Y505 WeakPolarHBondContact O-CA 3.36Å; I371-Y505 VanDerWaalsContact CG2-OH 3.24Å; I371-Y505 WeakPolarHBondContact CG2-OH 2.82Å; P372-Y505 HydrophobicContact CG-CE2 4.14Å; L373-Y505 PolarHBondContact O-OH 3.29Å; N466-Y505 WeakPolarHBondContact CA-O 3.19Å; V467-Y505 HydrophobicContact CB-CD1 3.66Å; V467-Y505 HydrophobicContact CB-CE1 4.34Å; V467-Y505 HydrophobicContact CB-CG 3.9Å; V467-Y505 HydrophobicContact CG2-CD1 3.64Å; V467-Y505 HydrophobicContact CG2-CE1 4.06Å; V467-Y505 HydrophobicContact CG2-CG 4.4Å; V467-Y505 PolarHBondContact N-O 3.38Å; V467-Y505 WeakPolarHBondContact O-CB 3.12Å; F469-Y505 HydrophobicContact CE1-CD2 4.19Å; F469-Y505 HydrophobicContact CE1-CE2 4.25Å; Y505-I507 HydrophobicContact CD1-CD1 4.42Å; Y505-I507 HydrophobicContact CE1-CD1 4.48Å
506V96.6Very high94.5Very high9 Ų942.8 Ų42.86%0.05523%0.232CC..EExtended strand (participates in β ladder)trans-132.9133.2-166.8-175.60000111L281 S282 C283 P464 I465 N466 K504 E508L281-V506 PolarHBondContact O-N 2.85Å; S282-V506 WeakPolarHBondContact CA-O 3.35Å; C283-V506 PolarHBondContact N-O 2.76Å; P464-V506 HydrophobicContact CB-CG1 3.59Å; P464-V506 HydrophobicContact CG-CG1 4.47Å; I465-V506 WeakPolarHBondContact O-CA 3.03Å; N466-V506 WeakPolarHBondContact OD1-CG2 2.69Å; K504-V506 HydrophobicContact CD-CG2 4.29Å; K504-V506 HydrophobicContact CG-CG2 3.69Å; V506-E508 HydrophobicContact CG1-CG 3.89Å
507I95.6Very high94.7Very high8 Ų842.2 Ų42.24%0.04122%0.222CC..EExtended strand (participates in β ladder)trans-107.5112.3167.7-51.591.2000106.9C283 I375 F463 P464 I465 V467 Y505C283-I507 HydrophobicContact CB-CG1 4.47Å; C283-I507 WeakPolarHBondContact O-CA 3.33Å; I375-I507 HydrophobicContact CB-CD1 3.84Å; I375-I507 HydrophobicContact CB-CG1 4.28Å; I375-I507 HydrophobicContact CG1-CD1 4.05Å; I375-I507 HydrophobicContact CG2-CD1 4.18Å; F463-I507 HydrophobicContact CE1-CG2 4.22Å; P464-I507 CarbonylContact C-O 3.25Å; P464-I507 WeakPolarHBondContact CA-O 3.36Å; P464-I507 WeakPolarHBondContact CB-O 3.29Å; I465-I507 HydrophobicContact CB-CB 4.24Å; I465-I507 HydrophobicContact CB-CD1 4.03Å; I465-I507 HydrophobicContact CG2-CD1 4.07Å; I465-I507 PolarHBondContact N-O 2.87Å; I465-I507 PolarHBondContact O-N 2.88Å; V467-I507 HydrophobicContact CG2-CD1 3.93Å; Y505-I507 HydrophobicContact CD1-CD1 4.42Å; Y505-I507 HydrophobicContact CE1-CD1 4.48Å
508E89.3Confident94.9Very high92 Ų9241.7 Ų41.743%0.4322%0.222SC..  trans-92.80-172.9-64.2-169.6170.700113.7C283 R285 F463 V506C283-E508 PolarHBondContact O-N 3.47Å; R285-E508 WeakPolarHBondContact CG-O 3.48Å; R285-E508 PolarHBondContact N-O 2.93Å; R285-E508 VanDerWaalsContact N-O 3.08Å; R285-E508 PolarHBondContact NE-OXT 3.34Å; R285-E508 PolarHBondContact NH2-OXT 2.8Å; F463-E508 WeakPolarHBondContact CB-OXT 3.47Å; V506-E508 HydrophobicContact CG1-CG 3.89Å

Retrieved 508 of 508 residues in 142.1 ms (Link to these results)

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