A0A077ZCH2_TRITR Loading...

RNA binding protein 34

AlphaFold DB , UniProt , Accession A0A077ZCH2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 241 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
1M55.3Low78Confident193 Ų193120.1 Ų120.195%0.95160%0.596SS**  0129.60-80.6165.285.700109.3
2N68.2Low79.1Confident119 Ų119117.3 Ų117.364%0.63658%0.58SS**  trans-76.8138.1-177.5-164.9-7.4000111.1R4 S5 A6N2-R4 PolarHBondContact O-N 2.86Å; N2-R4 VanDerWaalsContact O-N 3.07Å; N2-S5 WeakPolarHBondContact O-CB 3.25Å; N2-S5 PolarHBondContact O-N 3.36Å; N2-A6 PolarHBondContact O-N 3.41Å
3K72.7Confident80.1Confident177 Ų177115.4 Ų115.477%0.7757%0.569SS**Hα-helixtrans-50.9-36.8-176.2-72.4-177.1178.8178.10113.1S5 A6 N7K3-S5 PolarHBondContact O-N 3.21Å; K3-A6 PolarHBondContact O-N 2.73Å; K3-N7 PolarHBondContact O-N 3.4Å
4R72.2Confident81.2Confident211 Ų211110.5 Ų110.580%0.79655%0.546SS*.Hα-helixtrans-61.5-40.3176.7-69.2-175.4178177.60.2112.9N2 S8N2-R4 PolarHBondContact O-N 2.86Å; N2-R4 VanDerWaalsContact O-N 3.07Å; R4-S8 PolarHBondContact O-N 3.02Å
5S73.1Confident82Confident55 Ų55105.5 Ų105.539%0.38552%0.522SS..Hα-helixtrans-70.3-41.1179.8-178.40000111.3N2 K3 S8 K9N2-S5 WeakPolarHBondContact O-CB 3.25Å; N2-S5 PolarHBondContact O-N 3.36Å; K3-S5 PolarHBondContact O-N 3.21Å; S5-S8 PolarHBondContact O-N 2.85Å; S5-K9 WeakPolarHBondContact O-CG 3.41Å; S5-K9 PolarHBondContact O-N 2.89Å
6A74.4Confident82.9Confident45 Ų45104.6 Ų104.637%0.37251%0.511SS..Hα-helixtrans-61.3-46.6175.300000111.8N2 K3 S8 K9 L10N2-A6 PolarHBondContact O-N 3.41Å; K3-A6 PolarHBondContact O-N 2.73Å; A6-S8 VanDerWaalsContact C-N 3.3Å; A6-S8 PolarHBondContact O-N 3.16Å; A6-K9 PolarHBondContact O-N 2.88Å; A6-L10 WeakPolarHBondContact O-CB 3.38Å; A6-L10 PolarHBondContact O-N 3.25Å
7N86.1Confident83.7Confident113 Ų113101.8 Ų101.860%0.60449%0.493SS*.Hα-helixtrans-62.5-35.7176.3-75.1-11.5000112.7K3 K11K3-N7 PolarHBondContact O-N 3.4Å; N7-K11 VanDerWaalsContact O-CB 3.29Å; N7-K11 WeakPolarHBondContact O-CB 3.29Å; N7-K11 PolarHBondContact O-N 2.83Å
8S87.2Confident84.4Confident72 Ų7296.7 Ų96.750%0.50347%0.469SS..Hα-helixtrans-67.3-45176.3-170.60000112.1R4 S5 A6 K11 E12R4-S8 PolarHBondContact O-N 3.02Å; S5-S8 PolarHBondContact O-N 2.85Å; A6-S8 VanDerWaalsContact C-N 3.3Å; A6-S8 PolarHBondContact O-N 3.16Å; S8-K11 PolarHBondContact O-N 3.1Å; S8-E12 PolarHBondContact O-N 2.99Å
9K88Confident85.1Confident122 Ų12291.6 Ų91.653%0.5345%0.445SS..Hα-helixtrans-62.7-45.8177.5-72.2-176.7177.7-167.70111.3S5 A6 K11 E12 E13S5-K9 WeakPolarHBondContact O-CG 3.41Å; S5-K9 PolarHBondContact O-N 2.89Å; A6-K9 PolarHBondContact O-N 2.88Å; K9-K11 VanDerWaalsContact C-N 3.33Å; K9-K11 PolarHBondContact O-N 3.43Å; K9-E12 PolarHBondContact O-N 3Å; K9-E13 WeakPolarHBondContact O-CB 3.25Å; K9-E13 PolarHBondContact O-N 2.96Å
10L90.7Very high85.6Confident89 Ų8987.9 Ų87.947%0.46643%0.426SS..Hα-helixtrans-61.3-42.8176.3-176.964.7000111.4A6 E12 E13 L14A6-L10 WeakPolarHBondContact O-CB 3.38Å; A6-L10 PolarHBondContact O-N 3.25Å; L10-E12 PolarHBondContact O-N 2.99Å; L10-E13 PolarHBondContact O-N 3.39Å; L10-L14 HydrophobicContact CG-CD1 4.28Å; L10-L14 VanDerWaalsContact O-CG 3.24Å; L10-L14 WeakPolarHBondContact O-CG 3.22Å; L10-L14 PolarHBondContact O-N 3.23Å
11K90.3Very high86.1Confident125 Ų12583.7 Ų83.754%0.54341%0.406SS..Hα-helixtrans-60.8-45.8176.3-178.1-176.6176.9-61.60111.6N7 S8 K9 L14 D15N7-K11 VanDerWaalsContact O-CB 3.29Å; N7-K11 WeakPolarHBondContact O-CB 3.29Å; N7-K11 PolarHBondContact O-N 2.83Å; S8-K11 PolarHBondContact O-N 3.1Å; K9-K11 VanDerWaalsContact C-N 3.33Å; K9-K11 PolarHBondContact O-N 3.43Å; K11-L14 PolarHBondContact O-N 2.97Å; K11-D15 IonicContact NZ-OD2 3.34Å; K11-D15 PolarHBondContact NZ-OD2 2.69Å; K11-D15 WeakPolarHBondContact O-CB 3.42Å; K11-D15 PolarHBondContact O-N 3.31Å
12E91.2Very high88Confident86 Ų8675.4 Ų75.440%0.40237%0.367SS..Hα-helixtrans-62.7-42.7178.6-170.2-177149.600111.8S8 K9 L10 L14 D15 R16 L107S8-E12 PolarHBondContact O-N 2.99Å; K9-E12 PolarHBondContact O-N 3Å; L10-E12 PolarHBondContact O-N 2.99Å; E12-L14 VanDerWaalsContact C-N 3.35Å; E12-L14 PolarHBondContact O-N 2.88Å; E12-D15 PolarHBondContact O-N 2.99Å; E12-R16 WeakPolarHBondContact O-CG 3.38Å; E12-R16 PolarHBondContact O-N 3.46Å; E12-R16 IonicContact OE1-CZ 3.14Å; E12-R16 IonicContact OE1-NE 3.96Å; E12-R16 IonicContact OE1-NH2 2.86Å; E12-R16 PolarHBondContact OE1-NH2 3.27Å; E12-L107 HydrophobicContact CG-CD1 4.04Å
13E92.5Very high89.3Confident93 Ų9369.8 Ų69.844%0.43534%0.337SS..Hα-helixtrans-60.4-42.8175.2-169.1-152.3132.800112.2K9 L10 R17K9-E13 WeakPolarHBondContact O-CB 3.25Å; K9-E13 PolarHBondContact O-N 2.96Å; L10-E13 PolarHBondContact O-N 3.39Å; E13-R17 IonicContact OE1-CZ 3.77Å; E13-R17 IonicContact OE1-NH2 2.8Å; E13-R17 PolarHBondContact OE1-NH2 2.88Å
14L94.6Very high90.5Very high47 Ų4761.4 Ų61.425%0.24630%0.301CS..Hα-helixtrans-66.5-40.8175-66.9174.6000111.4L10 K11 E12 R16 R17 T18L10-L14 HydrophobicContact CG-CD1 4.28Å; L10-L14 VanDerWaalsContact O-CG 3.24Å; L10-L14 WeakPolarHBondContact O-CG 3.22Å; L10-L14 PolarHBondContact O-N 3.23Å; K11-L14 PolarHBondContact O-N 2.97Å; E12-L14 VanDerWaalsContact C-N 3.35Å; E12-L14 PolarHBondContact O-N 2.88Å; L14-R16 PolarHBondContact O-N 3.03Å; L14-R17 PolarHBondContact O-N 2.76Å; L14-T18 WeakPolarHBondContact O-CB 3.3Å; L14-T18 PolarHBondContact O-N 3.39Å; L14-T18 PolarHBondContact O-OG1 3.18Å
15D94.4Very high91.6Very high35 Ų3551.5 Ų51.519%0.18726%0.263CS..Hα-helixtrans-66.4-34.8-180-72.7-19.6000112.1K11 E12 R17 T18 C106K11-D15 IonicContact NZ-OD2 3.34Å; K11-D15 PolarHBondContact NZ-OD2 2.69Å; K11-D15 WeakPolarHBondContact O-CB 3.42Å; K11-D15 PolarHBondContact O-N 3.31Å; E12-D15 PolarHBondContact O-N 2.99Å; D15-R17 PolarHBondContact O-N 3.29Å; D15-T18 PolarHBondContact O-N 3.08Å; D15-C106 HydrophobicContact CB-CB 3.93Å
16R95.4Very high92.6Very high92 Ų9249.4 Ų49.435%0.34725%0.249SC..Hα-helixtrans-57-33.7173.7-77.7173.2-171.3-100.2-1.6113E12 L14 E82 V85 L107E12-R16 WeakPolarHBondContact O-CG 3.38Å; E12-R16 PolarHBondContact O-N 3.46Å; E12-R16 IonicContact OE1-CZ 3.14Å; E12-R16 IonicContact OE1-NE 3.96Å; E12-R16 IonicContact OE1-NH2 2.86Å; E12-R16 PolarHBondContact OE1-NH2 3.27Å; L14-R16 PolarHBondContact O-N 3.03Å; R16-E82 IonicContact NH1-OE1 3.11Å; R16-V85 WeakPolarHBondContact O-CG2 3.4Å; R16-L107 HydrophobicContact CG-CD1 4.17Å; R16-L107 HydrophobicContact CG-CD2 4.13Å
17R96.4Very high93.4Very high56 Ų5650.5 Ų50.521%0.21125%0.249CC..THydrogen-bonded Turntrans-96.98.7179.5-61.7-173.8-78.7163.5-4.7113.3E13 L14 D15 R78 F79 K80 E82 V85E13-R17 IonicContact OE1-CZ 3.77Å; E13-R17 IonicContact OE1-NH2 2.8Å; E13-R17 PolarHBondContact OE1-NH2 2.88Å; L14-R17 PolarHBondContact O-N 2.76Å; D15-R17 PolarHBondContact O-N 3.29Å; R17-R78 HydrophobicContact CB-CG 4.31Å; R17-R78 CarbonylContact O-C 3.54Å; R17-R78 WeakPolarHBondContact O-CA 3.45Å; R17-F79 WeakPolarHBondContact CB-O 3.37Å; R17-F79 PolarHBondContact O-N 2.94Å; R17-K80 WeakPolarHBondContact CD-O 3.35Å; R17-K80 PolarHBondContact NH1-O 3.48Å; R17-E82 HydrophobicContact CG-CB 4.25Å; R17-V85 VanDerWaalsContact C-CG2 3.42Å
18T97.1Very high93.7Very high10 Ų1045.5 Ų45.56%0.06122%0.223CC..EExtended strand (participates in β ladder)trans-120.1124.2-174-55.50000112L14 D15 Y76 V77 R78 C106L14-T18 WeakPolarHBondContact O-CB 3.3Å; L14-T18 PolarHBondContact O-N 3.39Å; L14-T18 PolarHBondContact O-OG1 3.18Å; D15-T18 PolarHBondContact O-N 3.08Å; T18-Y76 HydrophobicContact CG2-CD1 4.02Å; T18-V77 CarbonylContact C-O 3.56Å; T18-V77 WeakPolarHBondContact CA-O 3.45Å; T18-R78 HydrophobicContact CG2-CB 4.34Å; T18-R78 WeakPolarHBondContact OG1-CB 3.46Å; T18-R78 WeakPolarHBondContact OG1-CG 3.14Å; T18-C106 VanDerWaalsContact O-CB 3.3Å; T18-C106 WeakPolarHBondContact O-CB 3.27Å; T18-C106 PolarHBondContact O-N 2.88Å; T18-C106 PolarHBondContact O-SG 3.43Å
19V96.8Very high93.9Very high0 Ų044.9 Ų44.90%022%0.216CC..EExtended strand (participates in β ladder)trans-93.2146.4165.1-63.50000111V21 Y76 V77 F79 V85 A88 V103 D104V19-V21 HydrophobicContact CG2-CG2 4.18Å; V19-Y76 WeakPolarHBondContact O-CA 3.47Å; V19-V77 HydrophobicContact CG2-CB 3.72Å; V19-V77 HydrophobicContact CG2-CG1 4.42Å; V19-V77 PolarHBondContact N-O 3.19Å; V19-V77 PolarHBondContact O-N 3.18Å; V19-F79 HydrophobicContact CG1-CE2 4.34Å; V19-F79 HydrophobicContact CG2-CE2 3.84Å; V19-V85 HydrophobicContact CG1-CB 4.22Å; V19-V85 HydrophobicContact CG1-CG1 3.7Å; V19-V85 HydrophobicContact CG1-CG2 4.24Å; V19-A88 HydrophobicContact CG1-CB 4.1Å; V19-V103 HydrophobicContact CB-CG1 3.99Å; V19-V103 HydrophobicContact CG1-CG1 4.28Å; V19-V103 HydrophobicContact CG2-CG1 4.36Å; V19-D104 CarbonylContact C-O 3.57Å; V19-D104 WeakPolarHBondContact CA-O 3.33Å
20F96Very high94.2Very high17 Ų1745 Ų458%0.07522%0.216CC..EExtended strand (participates in β ladder)trans-101.2124167.3174.6-112.4000109.1S22 N74 A75 Y76 V103 D104 R110F20-S22 VanDerWaalsContact CE1-CB 3.46Å; F20-N74 HydrophobicContact CE2-CB 3.51Å; F20-N74 HydrophobicContact CZ-CB 3.76Å; F20-A75 WeakPolarHBondContact CA-O 3.32Å; F20-A75 WeakPolarHBondContact CD2-O 3.38Å; F20-Y76 HydrophobicContact CB-CD1 4.28Å; F20-Y76 HydrophobicContact CB-CE1 4.15Å; F20-Y76 HydrophobicContact CD2-CD1 4.07Å; F20-Y76 HydrophobicContact CD2-CD2 4.46Å; F20-Y76 AromaticContact CD2-CE1 3.73Å; F20-Y76 HydrophobicContact CD2-CE1 3.73Å; F20-Y76 HydrophobicContact CD2-CE2 4.13Å; F20-Y76 HydrophobicContact CD2-CG 4.45Å; F20-Y76 AromaticContact CD2-CZ 3.77Å; F20-Y76 HydrophobicContact CE2-CE2 4.33Å; F20-Y76 HydrophobicContact CG-CE1 4.31Å; F20-V103 WeakPolarHBondContact O-CA 3.25Å; F20-D104 PolarHBondContact N-O 3.42Å; F20-D104 PolarHBondContact O-N 3.42Å; F20-R110 VanDerWaalsContact CD1-NH2 3.25Å; F20-R110 VanDerWaalsContact CE1-CZ 3.46Å; F20-R110 VanDerWaalsContact CE1-NH1 3.34Å
21V96.1Very high94.3Very high1 Ų150.5 Ų50.51%0.00623%0.231CC..EExtended strand (participates in β ladder)trans-110.1127.8178-172.90000107.3V19 L24 N74 A75 V77 V101 F102 V103V19-V21 HydrophobicContact CG2-CG2 4.18Å; V21-L24 HydrophobicContact CB-CD1 4.19Å; V21-L24 HydrophobicContact CG1-CD1 3.75Å; V21-L24 HydrophobicContact CG1-CD2 3.89Å; V21-L24 HydrophobicContact CG1-CG 3.83Å; V21-N74 CarbonylContact O-C 3.48Å; V21-N74 VanDerWaalsContact O-CA 3.26Å; V21-N74 WeakPolarHBondContact O-CA 3.44Å; V21-N74 WeakPolarHBondContact O-CB 3.3Å; V21-A75 HydrophobicContact CB-CB 4.4Å; V21-A75 PolarHBondContact N-O 2.99Å; V21-A75 PolarHBondContact O-N 3.27Å; V21-V77 HydrophobicContact CG2-CG2 4.16Å; V21-V101 HydrophobicContact CG1-CG1 3.22Å; V21-F102 CarbonylContact C-O 3.57Å; V21-F102 WeakPolarHBondContact CA-O 3.37Å; V21-V103 HydrophobicContact CG1-CG2 4.31Å; V21-V103 HydrophobicContact CG2-CG1 4.43Å; V21-V103 HydrophobicContact CG2-CG2 4.38Å
22S95.1Very high94.4Very high18 Ų1848.4 Ų48.413%0.12622%0.223CC..EExtended strand (participates in β ladder)trans-131.6162.2-177.157.10000112.8F20 N74 V101 F102F20-S22 VanDerWaalsContact CE1-CB 3.46Å; S22-N74 VanDerWaalsContact CA-OD1 3.27Å; S22-N74 WeakPolarHBondContact CA-OD1 3.41Å; S22-N74 WeakPolarHBondContact CB-OD1 3Å; S22-V101 WeakPolarHBondContact O-CA 3.43Å; S22-F102 PolarHBondContact N-O 2.88Å; S22-F102 PolarHBondContact O-N 3.24Å; S22-F102 WeakPolarHBondContact OG-CB 3.49Å; S22-F102 PolarHBondContact OG-O 3.19Å; S22-F102 VanDerWaalsContact OG-O 3.11Å
23N96.3Very high94.5Very high2 Ų244.4 Ų44.41%0.01120%0.204CC..EExtended strand (participates in β ladder)trans59.247-171.9-16344.3000112.5H99 H100 F102 E129 D130N23-H99 WeakPolarHBondContact O-CB 3.23Å; N23-H100 WeakPolarHBondContact CB-O 3.19Å; N23-H100 PolarHBondContact ND2-O 3.22Å; N23-F102 HydrophobicContact CB-CD2 3.98Å; N23-F102 HydrophobicContact CB-CE2 4.02Å; N23-E129 HydrophobicContact CB-CB 4.36Å; N23-E129 WeakPolarHBondContact OD1-CB 3.46Å; N23-D130 PolarHBondContact ND2-OD1 3.18Å; N23-D130 PolarHBondContact ND2-OD2 3.08Å; N23-D130 VanDerWaalsContact ND2-OD2 3.08Å
24L96.6Very high94.6Very high1 Ų143.5 Ų43.51%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-86.6147.9172.4-73.8166.9000110.3V21 V28 L33 R72 I73 A75 V101V21-L24 HydrophobicContact CB-CD1 4.19Å; V21-L24 HydrophobicContact CG1-CD1 3.75Å; V21-L24 HydrophobicContact CG1-CD2 3.89Å; V21-L24 HydrophobicContact CG1-CG 3.83Å; L24-V28 HydrophobicContact CB-CG1 3.95Å; L24-V28 HydrophobicContact CD1-CG1 4.41Å; L24-L33 HydrophobicContact CD1-CD1 4.3Å; L24-L33 HydrophobicContact CD1-CD2 4.11Å; L24-L33 HydrophobicContact CD2-CD1 4.46Å; L24-R72 CarbonylContact O-C 3.55Å; L24-R72 VanDerWaalsContact O-CA 3.29Å; L24-R72 WeakPolarHBondContact O-CA 3.23Å; L24-R72 WeakPolarHBondContact O-CB 3.47Å; L24-I73 HydrophobicContact CB-CG1 3.82Å; L24-I73 PolarHBondContact N-O 3.23Å; L24-I73 PolarHBondContact O-N 2.86Å; L24-A75 HydrophobicContact CD1-CB 3.83Å; L24-V101 HydrophobicContact CD2-CG1 4.17Å; L24-V101 HydrophobicContact CD2-CG2 3.89Å
25P95.4Very high94.6Very high2 Ų249.1 Ų49.11%0.01322%0.224CC..EExtended strand (participates in β ladder)trans-52.9141.2173.1-1722.6000111.3D27 V28 V96 R97 H99P25-D27 WeakPolarHBondContact CB-OD1 3.31Å; P25-D27 PolarHBondContact O-N 2.93Å; P25-V28 HydrophobicContact CB-CB 4.44Å; P25-V28 VanDerWaalsContact O-CG1 3.28Å; P25-V28 WeakPolarHBondContact O-CG1 3.4Å; P25-V28 PolarHBondContact O-N 3.08Å; P25-V28 VanDerWaalsContact O-N 3.14Å; P25-V96 HydrophobicContact CG-CG1 4.13Å; P25-V96 VanDerWaalsContact CG-O 3.29Å; P25-V96 WeakPolarHBondContact CG-O 3.23Å; P25-R97 HydrophobicContact CG-CB 4.09Å; P25-H99 HydrophobicContact CG-CB 4.41Å
26A94.1Very high94.5Very high11 Ų1149.8 Ų49.89%0.09123%0.228CC..THydrogen-bonded Turntrans-61.5-28.4-178.100000114L69 G71A26-L69 HydrophobicContact CB-CB 3.99Å; A26-L69 WeakPolarHBondContact O-CB 3.13Å; A26-L69 WeakPolarHBondContact O-CD1 3.28Å; A26-G71 WeakPolarHBondContact CB-O 3.32Å; A26-G71 PolarHBondContact N-O 3.24Å
27D91.7Very high94.5Very high68 Ų6845.4 Ų45.436%0.36421%0.212SC..THydrogen-bonded Turntrans-93.44.5-178.865.9-21.4000113.4P25 T29 R97P25-D27 WeakPolarHBondContact CB-OD1 3.31Å; P25-D27 PolarHBondContact O-N 2.93Å; D27-T29 PolarHBondContact O-N 2.87Å; D27-R97 IonicContact OD1-CZ 3.81Å; D27-R97 IonicContact OD1-NH1 2.68Å; D27-R97 PolarHBondContact OD1-NH1 2.97Å; D27-R97 VanDerWaalsContact OD1-NH1 3.1Å; D27-R97 IonicContact OD1-NH2 2.55Å; D27-R97 IonicContact OD2-CZ 3.92Å; D27-R97 IonicContact OD2-NH1 3.81Å; D27-R97 PolarHBondContact OD2-NH1 3.12Å; D27-R97 IonicContact OD2-NH2 3.32Å; D27-R97 PolarHBondContact OD2-NH2 2.68Å
28V92.9Very high94.4Very high9 Ų950 Ų506%0.05523%0.233CC..  trans-61.6130.2177.9760000110.7L24 P25 E32 I73L24-V28 HydrophobicContact CB-CG1 3.95Å; L24-V28 HydrophobicContact CD1-CG1 4.41Å; P25-V28 HydrophobicContact CB-CB 4.44Å; P25-V28 VanDerWaalsContact O-CG1 3.28Å; P25-V28 WeakPolarHBondContact O-CG1 3.4Å; P25-V28 PolarHBondContact O-N 3.08Å; P25-V28 VanDerWaalsContact O-N 3.14Å; V28-E32 HydrophobicContact CG2-CB 4.05Å; V28-I73 HydrophobicContact CG1-CD1 3.47Å; V28-I73 VanDerWaalsContact CG1-CD1 3.47Å; V28-I73 HydrophobicContact CG1-CG1 3.93Å
29T91.4Very high94.4Very high58 Ų5856 Ų5636%0.35626%0.261SS..  trans-86.4153.6179.769.80000111.6D27 R31 E32 L33D27-T29 PolarHBondContact O-N 2.87Å; T29-R31 PolarHBondContact O-N 2.82Å; T29-R31 VanDerWaalsContact O-N 3.15Å; T29-E32 WeakPolarHBondContact CG2-OE1 3.3Å; T29-E32 PolarHBondContact N-OE2 3.1Å; T29-E32 VanDerWaalsContact N-OE2 3.15Å; T29-E32 PolarHBondContact O-N 3.25Å; T29-E32 WeakPolarHBondContact OG1-CG 3.35Å; T29-E32 PolarHBondContact OG1-N 2.97Å; T29-E32 VanDerWaalsContact OG1-N 3.14Å; T29-E32 PolarHBondContact OG1-OE1 2.94Å; T29-L33 PolarHBondContact O-N 3.34Å
30K92.4Very high94.3Very high125 Ų12557.3 Ų57.354%0.54327%0.266SS..Hα-helixtrans-56-31.5171.3-172.6-176.9177.5-172.10111.6L34 V46K30-L34 VanDerWaalsContact O-CB 3.3Å; K30-L34 WeakPolarHBondContact O-CB 3.47Å; K30-L34 PolarHBondContact O-N 2.79Å; K30-V46 WeakPolarHBondContact CE-O 3.23Å; K30-V46 HydrophobicContact CG-CB 4.07Å; K30-V46 HydrophobicContact CG-CG1 4.04Å
31R92.9Very high94.3Very high205 Ų20557.3 Ų57.377%0.77427%0.271SS*.Hα-helixtrans-70.1-44.7179.1-70.1-178.7174.5174.6-1.7111.6T29 L34 K35T29-R31 PolarHBondContact O-N 2.82Å; T29-R31 VanDerWaalsContact O-N 3.15Å; R31-L34 PolarHBondContact O-N 3.4Å; R31-K35 WeakPolarHBondContact O-CG 3.42Å; R31-K35 PolarHBondContact O-N 3.5Å
32E92.9Very high94.4Very high80 Ų8059.7 Ų59.737%0.37429%0.286SS..Hα-helixtrans-60.2-50.1174.1-78.9146.9-130.100111.6V28 T29 L34 K35 L36V28-E32 HydrophobicContact CG2-CB 4.05Å; T29-E32 WeakPolarHBondContact CG2-OE1 3.3Å; T29-E32 PolarHBondContact N-OE2 3.1Å; T29-E32 VanDerWaalsContact N-OE2 3.15Å; T29-E32 PolarHBondContact O-N 3.25Å; T29-E32 WeakPolarHBondContact OG1-CG 3.35Å; T29-E32 PolarHBondContact OG1-N 2.97Å; T29-E32 VanDerWaalsContact OG1-N 3.14Å; T29-E32 PolarHBondContact OG1-OE1 2.94Å; E32-L34 PolarHBondContact O-N 2.69Å; E32-K35 WeakPolarHBondContact O-CB 3.18Å; E32-K35 PolarHBondContact O-N 2.9Å; E32-L36 PolarHBondContact O-N 3.02Å
33L93.5Very high94.5Very high2 Ų260.1 Ų60.11%0.0129%0.288CS..Hα-helixtrans-60.9-37.5179.1-176.460000111.7L24 T29 L36 V37 V46 L48 A75 V77L24-L33 HydrophobicContact CD1-CD1 4.3Å; L24-L33 HydrophobicContact CD1-CD2 4.11Å; L24-L33 HydrophobicContact CD2-CD1 4.46Å; T29-L33 PolarHBondContact O-N 3.34Å; L33-L36 PolarHBondContact O-N 3.3Å; L33-V37 HydrophobicContact CD1-CG1 4.13Å; L33-V37 WeakPolarHBondContact O-CG2 3.2Å; L33-V37 PolarHBondContact O-N 2.99Å; L33-V37 VanDerWaalsContact O-N 3.14Å; L33-V46 HydrophobicContact CD2-CG1 3.57Å; L33-V46 HydrophobicContact CG-CG1 4.23Å; L33-L48 HydrophobicContact CD2-CD2 4.21Å; L33-A75 HydrophobicContact CD2-CB 3.24Å; L33-V77 HydrophobicContact CD2-CG2 4.06Å; L33-V77 HydrophobicContact CG-CG2 4.27Å
34L95.1Very high94.5Very high74 Ų7463.9 Ų63.939%0.38731%0.306SS..Hα-helixtrans-62.8-44.5174.3-172.572.9000111.6K30 R31 E32 L36 V37 K38 V43 V46K30-L34 VanDerWaalsContact O-CB 3.3Å; K30-L34 WeakPolarHBondContact O-CB 3.47Å; K30-L34 PolarHBondContact O-N 2.79Å; R31-L34 PolarHBondContact O-N 3.4Å; E32-L34 PolarHBondContact O-N 2.69Å; L34-L36 VanDerWaalsContact C-N 3.34Å; L34-L36 PolarHBondContact O-N 3.43Å; L34-V37 PolarHBondContact O-N 3.39Å; L34-K38 WeakPolarHBondContact O-CB 3.33Å; L34-K38 PolarHBondContact O-N 3.39Å; L34-V43 HydrophobicContact CD1-CB 3.75Å; L34-V43 HydrophobicContact CD1-CG1 3.8Å; L34-V43 HydrophobicContact CD1-CG2 4Å; L34-V46 HydrophobicContact CD1-CG2 4.18Å
35K94.2Very high94.4Very high165 Ų16565.8 Ų65.872%0.71732%0.318SS*.Hα-helixtrans-60.4-44.3176.8-72.9177.3179.2-176.70111.4R31 E32 V37R31-K35 WeakPolarHBondContact O-CG 3.42Å; R31-K35 PolarHBondContact O-N 3.5Å; E32-K35 WeakPolarHBondContact O-CB 3.18Å; E32-K35 PolarHBondContact O-N 2.9Å; K35-V37 PolarHBondContact O-N 2.96Å
36L93Very high94.5Very high49 Ų4966.2 Ų66.226%0.25732%0.32SS..Hα-helixtrans-61.8-41.9-178.8-174.666.1000112.7E32 L33 L34 Q39 L91 V96E32-L36 PolarHBondContact O-N 3.02Å; L33-L36 PolarHBondContact O-N 3.3Å; L34-L36 VanDerWaalsContact C-N 3.34Å; L34-L36 PolarHBondContact O-N 3.43Å; L36-Q39 WeakPolarHBondContact O-CG 3.39Å; L36-Q39 PolarHBondContact O-NE2 2.88Å; L36-L91 HydrophobicContact CD1-CD1 4.28Å; L36-L91 HydrophobicContact CD2-CD2 3.94Å; L36-L91 HydrophobicContact CG-CD1 4.4Å; L36-L91 HydrophobicContact CG-CD2 4.09Å; L36-V96 HydrophobicContact CD2-CG2 3.82Å
37V95.1Very high94.5Very high1 Ų173.1 Ų73.11%0.00634%0.344CS..Hα-helixtrans-94.5-15.6-174.1-57.30000114.1L33 L34 K35 Q39 F40 V43 V77 F79 L91L33-V37 HydrophobicContact CD1-CG1 4.13Å; L33-V37 WeakPolarHBondContact O-CG2 3.2Å; L33-V37 PolarHBondContact O-N 2.99Å; L33-V37 VanDerWaalsContact O-N 3.14Å; L34-V37 PolarHBondContact O-N 3.39Å; K35-V37 PolarHBondContact O-N 2.96Å; V37-Q39 PolarHBondContact O-N 2.95Å; V37-F40 HydrophobicContact CB-CD2 4.45Å; V37-F40 PolarHBondContact O-N 3.29Å; V37-F40 VanDerWaalsContact O-N 3.09Å; V37-V43 HydrophobicContact CG2-CG2 3.73Å; V37-V77 HydrophobicContact CB-CG1 4.26Å; V37-V77 HydrophobicContact CG1-CG2 4.45Å; V37-V77 HydrophobicContact CG2-CG1 3.65Å; V37-V77 HydrophobicContact CG2-CG2 4.45Å; V37-F79 HydrophobicContact CB-CE1 4.46Å; V37-F79 HydrophobicContact CB-CZ 4.11Å; V37-L91 HydrophobicContact CG1-CD2 4.39Å
38K94.7Very high94.7Very high151 Ų15171.9 Ų71.966%0.65734%0.337SS*.Hα-helixtrans-60.7-28-179.8-178.5178.3-179.3-171.30113.1L34 F40 G41L34-K38 WeakPolarHBondContact O-CB 3.33Å; L34-K38 PolarHBondContact O-N 3.39Å; K38-F40 PolarHBondContact O-N 3.47Å; K38-G41 PolarHBondContact O-N 3.46Å
39Q95.4Very high94.7Very high138 Ų13877.8 Ų77.865%0.64536%0.358SS*.THydrogen-bonded Turntrans-63.2-24.3176.466-175.1-31.500113.6L36 V37L36-Q39 WeakPolarHBondContact O-CG 3.39Å; L36-Q39 PolarHBondContact O-NE2 2.88Å; V37-Q39 PolarHBondContact O-N 2.95Å
40F96.1Very high94.8Very high26 Ų2677.9 Ų77.911%0.11436%0.361CS..THydrogen-bonded Turntrans-86.8-15.8-179.2-55.3-63.2000113.2V37 K38 F79 S84 K87 A88 L91V37-F40 HydrophobicContact CB-CD2 4.45Å; V37-F40 PolarHBondContact O-N 3.29Å; V37-F40 VanDerWaalsContact O-N 3.09Å; K38-F40 PolarHBondContact O-N 3.47Å; F40-F79 HydrophobicContact CB-CE1 4.36Å; F40-F79 HydrophobicContact CB-CZ 4.31Å; F40-S84 WeakPolarHBondContact O-CA 3.43Å; F40-S84 WeakPolarHBondContact O-CB 3.49Å; F40-S84 PolarHBondContact O-OG 3Å; F40-K87 HydrophobicContact CB-CB 4.04Å; F40-K87 HydrophobicContact CD1-CB 3.94Å; F40-K87 HydrophobicContact CG-CB 4.39Å; F40-A88 HydrophobicContact CB-CB 4.12Å; F40-A88 HydrophobicContact CD2-CB 4Å; F40-A88 HydrophobicContact CG-CB 4.09Å; F40-L91 HydrophobicContact CE2-CB 4.18Å; F40-L91 HydrophobicContact CE2-CD1 4.35Å; F40-L91 HydrophobicContact CE2-CD2 4.16Å; F40-L91 HydrophobicContact CE2-CG 4.47Å; F40-L91 HydrophobicContact CZ-CB 4.13Å; F40-L91 HydrophobicContact CZ-CD1 4.28Å
41G95.9Very high94.8Very high17 Ų1772.6 Ų72.618%0.17534%0.34CS..SBendtrans152.3179.8175.600000114.3K38 V43 S84K38-G41 PolarHBondContact O-N 3.46Å; G41-V43 PolarHBondContact O-N 3.47Å; G41-S84 WeakPolarHBondContact CA-OG 3.46Å
42P96.9Very high94.9Very high51 Ų5163.7 Ų63.733%0.33131%0.307SS..  trans-67.7118.2-177.527-33.8000111.4F79 K80 E81P42-F79 WeakPolarHBondContact O-CA 3.44Å; P42-K80 HydrophobicContact CB-CB 4.4Å; P42-K80 HydrophobicContact CB-CD 4.02Å; P42-K80 HydrophobicContact CB-CG 4.21Å; P42-K80 HydrophobicContact CG-CB 4.09Å; P42-K80 HydrophobicContact CG-CD 4.43Å; P42-K80 HydrophobicContact CG-CG 4.45Å; P42-K80 PolarHBondContact O-N 2.94Å; P42-E81 HydrophobicContact CG-CG 4.46Å
43V97.2Very high95Very high28 Ų2860.6 Ų60.617%0.1729%0.294CS..EExtended strand (participates in β ladder)trans-83.9129.7179.5-175.30000110L34 V37 G41 V46 V77 F79L34-V43 HydrophobicContact CD1-CB 3.75Å; L34-V43 HydrophobicContact CD1-CG1 3.8Å; L34-V43 HydrophobicContact CD1-CG2 4Å; V37-V43 HydrophobicContact CG2-CG2 3.73Å; G41-V43 PolarHBondContact O-N 3.47Å; V43-V46 HydrophobicContact CG1-CG2 3.77Å; V43-V77 HydrophobicContact CG1-CG1 3.95Å; V43-V77 HydrophobicContact CG2-CG1 4.48Å; V43-F79 HydrophobicContact CG2-CD1 4.03Å; V43-F79 HydrophobicContact CG2-CE1 3.83Å
44E96.6Very high95Very high80 Ų8066.8 Ų66.837%0.37432%0.321SS..EExtended strand (participates in β ladder)trans-86.9-52.8174.2-164.9-159.3136.300110.8R78 K80E44-R78 WeakPolarHBondContact CA-O 3.38Å; E44-R78 HydrophobicContact CB-CG 4.45Å; E44-R78 WeakPolarHBondContact CB-O 3.39Å; E44-R78 PolarHBondContact N-O 3.34Å; E44-R78 IonicContact OE1-CZ 3.17Å; E44-R78 VanDerWaalsContact OE1-CZ 3.32Å; E44-R78 IonicContact OE1-NE 2.79Å; E44-R78 PolarHBondContact OE1-NE 2.93Å; E44-R78 VanDerWaalsContact OE1-NE 3.14Å; E44-R78 IonicContact OE1-NH2 3.08Å; E44-R78 PolarHBondContact OE1-NH2 3.21Å; E44-R78 WeakPolarHBondContact OE2-CD 3.14Å; E44-R78 IonicContact OE2-CZ 3.72Å; E44-R78 IonicContact OE2-NE 2.69Å; E44-R78 PolarHBondContact OE2-NE 3.11Å; E44-R78 IonicContact OE2-NH2 2.8Å; E44-K80 HydrophobicContact CB-CG 4.08Å
45T96Very high94.9Very high42 Ų4267.1 Ų67.126%0.25832%0.323SS..EExtended strand (participates in β ladder)trans-147150.6-179.967.30000112.7R78T45-R78 PolarHBondContact N-O 3.27Å; T45-R78 VanDerWaalsContact N-O 3.08Å; T45-R78 PolarHBondContact O-N 2.92Å
46V96.2Very high94.8Very high11 Ų1164.6 Ų64.67%0.06732%0.323CS..EExtended strand (participates in β ladder)trans-125.1128.6170.9178.60000108.4K30 L33 L34 V43 Y76 V77K30-V46 WeakPolarHBondContact CE-O 3.23Å; K30-V46 HydrophobicContact CG-CB 4.07Å; K30-V46 HydrophobicContact CG-CG1 4.04Å; L33-V46 HydrophobicContact CD2-CG1 3.57Å; L33-V46 HydrophobicContact CG-CG1 4.23Å; L34-V46 HydrophobicContact CD1-CG2 4.18Å; V43-V46 HydrophobicContact CG1-CG2 3.77Å; V46-Y76 WeakPolarHBondContact CA-O 3.42Å; V46-V77 HydrophobicContact CG1-CG2 4.41Å; V46-V77 HydrophobicContact CG2-CG1 4.37Å; V46-V77 HydrophobicContact CG2-CG2 4.34Å
47R94.8Very high94.8Very high156 Ų15666.1 Ų66.159%0.58934%0.343SS*.EExtended strand (participates in β ladder)trans-128.6109.9-177.8-57.5178.781.3148.14.2110.1A75 Y76R47-A75 CarbonylContact O-C 3.57Å; R47-A75 VanDerWaalsContact O-CA 3.3Å; R47-A75 WeakPolarHBondContact O-CA 3.23Å; R47-Y76 PolarHBondContact N-O 3.41Å; R47-Y76 PolarHBondContact O-N 2.85Å
48L94.5Very high94.7Very high41 Ų4167.4 Ų67.422%0.21535%0.351CS..EExtended strand (participates in β ladder)trans-72.5142.9173.9-57.1-178.7000110.7L33 V64 I73 A75L33-L48 HydrophobicContact CD2-CD2 4.21Å; L48-V64 HydrophobicContact CD1-CG1 4.09Å; L48-I73 HydrophobicContact CD1-CD1 4.25Å; L48-I73 HydrophobicContact CD2-CD1 3.98Å; L48-I73 HydrophobicContact CG-CD1 4.49Å; L48-A75 HydrophobicContact CD2-CB 4.07Å
49R94Very high94.7Very high134 Ų13464.2 Ų64.251%0.50635%0.346SS..EExtended strand (participates in β ladder)trans-142.3163.9-176.4-63.1-63-66.5-85.44.4110.1C51 I73 N74 Y76R49-C51 PolarHBondContact O-N 2.79Å; R49-I73 WeakPolarHBondContact O-CB 3.14Å; R49-N74 HydrophobicContact CB-CB 4.4Å; R49-N74 PolarHBondContact N-O 3.36Å; R49-N74 PolarHBondContact O-N 3.28Å; R49-N74 VanDerWaalsContact O-O 3.1Å; R49-Y76 HydrophobicContact CG-CD2 3.65Å; R49-Y76 HydrophobicContact CG-CE2 3.76Å
50S92.9Very high94.5Very high59 Ų5963 Ų6341%0.41334%0.339SS..SBendtrans58.426-176.4-53.50000113.7I52 N74S50-I52 PolarHBondContact O-N 2.83Å; S50-N74 PolarHBondContact OG-ND2 2.74Å; S50-N74 VanDerWaalsContact OG-ND2 3.09Å
51C93.7Very high94.2Very high15 Ų1569.8 Ų69.810%0.10137%0.368CS..  trans-72.6113.3176-51.10000109.6R49 V64 L69R49-C51 PolarHBondContact O-N 2.79Å; C51-V64 HydrophobicContact CB-CG2 3.66Å; C51-L69 HydrophobicContact CB-CD1 3.81Å; C51-L69 HydrophobicContact CB-CD2 3.86Å
52I94.2Very high94.1Very high17 Ų1771.6 Ų71.69%0.08738%0.376CS..  trans-106.1116.2174.7-53.4-56.7000107.7S50 L69 V70 K151S50-I52 PolarHBondContact O-N 2.83Å; I52-L69 CarbonylContact O-C 3.54Å; I52-L69 VanDerWaalsContact O-CA 3.26Å; I52-L69 WeakPolarHBondContact O-CA 3.24Å; I52-L69 WeakPolarHBondContact O-CD2 3.5Å; I52-V70 HydrophobicContact CB-CG2 3.89Å; I52-V70 HydrophobicContact CG2-CG2 3.69Å; I52-V70 PolarHBondContact O-N 2.74Å; I52-K151 WeakPolarHBondContact CD1-O 3.41Å
53P94.6Very high94Very high15 Ų1569.2 Ų69.210%0.09736%0.36CS..BIsolated β-bridgetrans-58.9144.9174.8-25.836.7000112.4D55 K60 A63 E68P53-D55 WeakPolarHBondContact CB-O 3.5Å; P53-K60 HydrophobicContact CG-CB 4.49Å; P53-K60 HydrophobicContact CG-CG 3.87Å; P53-A63 HydrophobicContact CB-CB 3.71Å; P53-A63 HydrophobicContact CG-CB 3.81Å; P53-E68 WeakPolarHBondContact CA-O 3.35Å
54K93.6Very high93.7Very high133 Ų13370.5 Ų70.558%0.57837%0.368SS*.SBendtrans-58.4-50.3167.4-77.9176.1-178.6-177.60111E68 L69 V70K54-E68 HydrophobicContact CB-CB 4.49Å; K54-E68 HydrophobicContact CD-CB 4.22Å; K54-E68 PolarHBondContact N-O 2.94Å; K54-L69 VanDerWaalsContact CE-O 3.23Å; K54-L69 WeakPolarHBondContact CE-O 3.46Å; K54-V70 HydrophobicContact CB-CG1 4.12Å; K54-V70 HydrophobicContact CG-CG1 3.39Å
55D93.3Very high93.4Very high81 Ų8173 Ų7343%0.43338%0.382SS..SBendtrans-97.5115.9173.1179.8-2.6000109.8P53 A57 V58P53-D55 WeakPolarHBondContact CB-O 3.5Å; D55-A57 PolarHBondContact O-N 2.91Å; D55-A57 VanDerWaalsContact O-N 3.16Å; D55-A57 VanDerWaalsContact OD1-CB 3.29Å; D55-A57 WeakPolarHBondContact OD1-CB 3.23Å; D55-A57 PolarHBondContact OD1-N 3.48Å; D55-V58 HydrophobicContact CB-CB 4.48Å; D55-V58 HydrophobicContact CB-CG2 3.87Å; D55-V58 PolarHBondContact O-N 3.21Å
56P92Very high93.2Very high111 Ų11177.1 Ų77.172%0.72140%0.397SS*.THydrogen-bonded Turntrans-63-17.2178.827.2-35.4000114.1V58P56-V58 VanDerWaalsContact C-N 3.35Å
57A93.6Very high92.9Very high82 Ų8278 Ų7868%0.67841%0.408SS*.THydrogen-bonded Turntrans-74.9-23.917400000112.7D55D55-A57 PolarHBondContact O-N 2.91Å; D55-A57 VanDerWaalsContact O-N 3.16Å; D55-A57 VanDerWaalsContact OD1-CB 3.29Å; D55-A57 WeakPolarHBondContact OD1-CB 3.23Å; D55-A57 PolarHBondContact OD1-N 3.48Å
58V93.1Very high92.8Very high28 Ų2873.8 Ų73.817%0.1740%0.395CS..SBendtrans-78.6128.1-178.71780000110.5D55 P56 K60 V62 A63D55-V58 HydrophobicContact CB-CB 4.48Å; D55-V58 HydrophobicContact CB-CG2 3.87Å; D55-V58 PolarHBondContact O-N 3.21Å; P56-V58 VanDerWaalsContact C-N 3.35Å; V58-K60 PolarHBondContact O-N 2.85Å; V58-V62 HydrophobicContact CG1-CB 3.84Å; V58-V62 HydrophobicContact CG1-CG1 3.87Å; V58-A63 HydrophobicContact CG1-CB 4.13Å
59P93.3Very high92.8Very high84 Ų8472.3 Ų72.355%0.54539%0.387SS..  trans-57.6135.9175.5-24.733.5000111.5K61 V62 A63P59-K61 PolarHBondContact O-N 2.82Å; P59-V62 HydrophobicContact CB-CG2 4.21Å; P59-V62 HydrophobicContact CG-CG2 4.4Å; P59-V62 WeakPolarHBondContact O-CA 3.49Å; P59-V62 WeakPolarHBondContact O-CB 3.38Å; P59-V62 PolarHBondContact O-N 2.72Å; P59-A63 PolarHBondContact O-N 3.45Å
60K91.4Very high92.7Very high113 Ų11368.8 Ų68.849%0.49138%0.38SS..Hα-helixtrans-49.7-38.6-177.2-66.4-174.4177.4-175.90114P53 V58 V62 A63 V64P53-K60 HydrophobicContact CG-CB 4.49Å; P53-K60 HydrophobicContact CG-CG 3.87Å; V58-K60 PolarHBondContact O-N 2.85Å; K60-V62 VanDerWaalsContact C-N 3.33Å; K60-V62 PolarHBondContact O-N 2.81Å; K60-A63 PolarHBondContact O-N 2.82Å; K60-V64 VanDerWaalsContact O-CG2 3.22Å; K60-V64 WeakPolarHBondContact O-CG2 3.46Å; K60-V64 PolarHBondContact O-N 3.08Å
61K91.2Very high92.7Very high167 Ų16769 Ų6973%0.72639%0.392SS*.Hα-helixtrans-61.7-42177.9-173.4179.8178.4-1740111.5P59 I65P59-K61 PolarHBondContact O-N 2.82Å; K61-I65 HydrophobicContact CG-CD1 4.33Å; K61-I65 WeakPolarHBondContact O-CD1 3.32Å; K61-I65 VanDerWaalsContact O-CG1 3.3Å; K61-I65 WeakPolarHBondContact O-CG1 3.28Å; K61-I65 PolarHBondContact O-N 2.75Å
62V93.5Very high92.7Very high56 Ų5670.1 Ų70.134%0.33939%0.394SS..Hα-helixtrans-69.7-45.8178.4179.80000110.1V58 P59 K60 V64 I65 K66V58-V62 HydrophobicContact CG1-CB 3.84Å; V58-V62 HydrophobicContact CG1-CG1 3.87Å; P59-V62 HydrophobicContact CB-CG2 4.21Å; P59-V62 HydrophobicContact CG-CG2 4.4Å; P59-V62 WeakPolarHBondContact O-CA 3.49Å; P59-V62 WeakPolarHBondContact O-CB 3.38Å; P59-V62 PolarHBondContact O-N 2.72Å; K60-V62 VanDerWaalsContact C-N 3.33Å; K60-V62 PolarHBondContact O-N 2.81Å; V62-V64 VanDerWaalsContact C-N 3.28Å; V62-V64 PolarHBondContact O-N 2.9Å; V62-I65 PolarHBondContact O-N 3.37Å; V62-K66 HydrophobicContact CG1-CD 4.09Å; V62-K66 HydrophobicContact CG1-CG 4.3Å; V62-K66 PolarHBondContact O-N 3.05Å
63A94.1Very high92.8Very high0 Ų069.3 Ų69.30%039%0.39CS..Hα-helixtrans-57.8-40.1177.500000112.5P53 V58 P59 K60 K66 G67 E68 L69P53-A63 HydrophobicContact CB-CB 3.71Å; P53-A63 HydrophobicContact CG-CB 3.81Å; V58-A63 HydrophobicContact CG1-CB 4.13Å; P59-A63 PolarHBondContact O-N 3.45Å; K60-A63 PolarHBondContact O-N 2.82Å; A63-K66 PolarHBondContact O-N 2.83Å; A63-G67 PolarHBondContact O-N 2.98Å; A63-E68 PolarHBondContact O-N 2.88Å; A63-L69 HydrophobicContact CB-CD2 3.86Å
64V91.7Very high92.8Very high55 Ų5569.2 Ų69.233%0.33339%0.389SS..Hα-helixtrans-63.9-39.9174.2170.70000112.1L48 C51 K60 V62 L69L48-V64 HydrophobicContact CD1-CG1 4.09Å; C51-V64 HydrophobicContact CB-CG2 3.66Å; K60-V64 VanDerWaalsContact O-CG2 3.22Å; K60-V64 WeakPolarHBondContact O-CG2 3.46Å; K60-V64 PolarHBondContact O-N 3.08Å; V62-V64 VanDerWaalsContact C-N 3.28Å; V62-V64 PolarHBondContact O-N 2.9Å; V64-L69 HydrophobicContact CG2-CD1 4.11Å; V64-L69 HydrophobicContact CG2-CD2 4.31Å
65I89.9Confident93Very high133 Ų13362.9 Ų62.968%0.68236%0.361SS*.Hα-helixtrans-68.4-39.2178.8-68.6164.6000110.8K61 V62K61-I65 HydrophobicContact CG-CD1 4.33Å; K61-I65 WeakPolarHBondContact O-CD1 3.32Å; K61-I65 VanDerWaalsContact O-CG1 3.3Å; K61-I65 WeakPolarHBondContact O-CG1 3.28Å; K61-I65 PolarHBondContact O-N 2.75Å; V62-I65 PolarHBondContact O-N 3.37Å
66K91.2Very high93.2Very high128 Ų12862 Ų6256%0.55735%0.352SS*.Hα-helixtrans-80-14.4179.8-67.1-173.1174.9-171.40114.4V62 A63 E68V62-K66 HydrophobicContact CG1-CD 4.09Å; V62-K66 HydrophobicContact CG1-CG 4.3Å; V62-K66 PolarHBondContact O-N 3.05Å; A63-K66 PolarHBondContact O-N 2.83Å; K66-E68 VanDerWaalsContact C-N 3.25Å; K66-E68 HydrophobicContact CB-CB 4.35Å; K66-E68 HydrophobicContact CB-CG 3.86Å; K66-E68 WeakPolarHBondContact CD-OE2 3.44Å; K66-E68 PolarHBondContact O-N 3.02Å
67G90.4Very high93.4Very high29 Ų2956.7 Ų56.730%0.29932%0.318SS..THydrogen-bonded Turntrans72.717.8-172.100000113.6A63 L69A63-G67 PolarHBondContact O-N 2.98Å; G67-L69 VanDerWaalsContact C-N 3.26Å; G67-L69 PolarHBondContact O-N 3.19Å; G67-L69 VanDerWaalsContact O-N 3.08Å
68E93.1Very high93.6Very high68 Ų6854.6 Ų54.632%0.31829%0.292SS..  trans-89.460-177.7-69.9171.4178.300110.7P53 K54 A63 K66P53-E68 WeakPolarHBondContact CA-O 3.35Å; K54-E68 HydrophobicContact CB-CB 4.49Å; K54-E68 HydrophobicContact CD-CB 4.22Å; K54-E68 PolarHBondContact N-O 2.94Å; A63-E68 PolarHBondContact O-N 2.88Å; K66-E68 VanDerWaalsContact C-N 3.25Å; K66-E68 HydrophobicContact CB-CB 4.35Å; K66-E68 HydrophobicContact CB-CG 3.86Å; K66-E68 WeakPolarHBondContact CD-OE2 3.44Å; K66-E68 PolarHBondContact O-N 3.02Å
69L94.1Very high93.9Very high11 Ų1153.3 Ų53.36%0.05828%0.284CS..BIsolated β-bridgetrans-111.6156.8179.8-58.5178.8000111.3A26 C51 I52 K54 A63 V64 G67 I73A26-L69 HydrophobicContact CB-CB 3.99Å; A26-L69 WeakPolarHBondContact O-CB 3.13Å; A26-L69 WeakPolarHBondContact O-CD1 3.28Å; C51-L69 HydrophobicContact CB-CD1 3.81Å; C51-L69 HydrophobicContact CB-CD2 3.86Å; I52-L69 CarbonylContact O-C 3.54Å; I52-L69 VanDerWaalsContact O-CA 3.26Å; I52-L69 WeakPolarHBondContact O-CA 3.24Å; I52-L69 WeakPolarHBondContact O-CD2 3.5Å; K54-L69 VanDerWaalsContact CE-O 3.23Å; K54-L69 WeakPolarHBondContact CE-O 3.46Å; A63-L69 HydrophobicContact CB-CD2 3.86Å; V64-L69 HydrophobicContact CG2-CD1 4.11Å; V64-L69 HydrophobicContact CG2-CD2 4.31Å; G67-L69 VanDerWaalsContact C-N 3.26Å; G67-L69 PolarHBondContact O-N 3.19Å; G67-L69 VanDerWaalsContact O-N 3.08Å; L69-I73 HydrophobicContact CD1-CG2 4.04Å
70V92.9Very high94Very high59 Ų5955.3 Ų55.336%0.35829%0.285SS..  trans-117151.9176.6-65.40000112.6I52 K54 R72I52-V70 HydrophobicContact CB-CG2 3.89Å; I52-V70 HydrophobicContact CG2-CG2 3.69Å; I52-V70 PolarHBondContact O-N 2.74Å; K54-V70 HydrophobicContact CB-CG1 4.12Å; K54-V70 HydrophobicContact CG-CG1 3.39Å; V70-R72 PolarHBondContact O-N 2.78Å
71G92.4Very high94.3Very high64 Ų6454.7 Ų54.766%0.6628%0.283SS*.SBendtrans73.6-117.9174.600000112.2A26A26-G71 WeakPolarHBondContact CB-O 3.32Å; A26-G71 PolarHBondContact N-O 3.24Å
72R93.7Very high94.5Very high39 Ų3951.1 Ų51.115%0.14727%0.269CS..EExtended strand (participates in β ladder)trans-133.8157.8-179.16480.6177.3172.3-8.5111.1L24 V70 N74 E129L24-R72 CarbonylContact O-C 3.55Å; L24-R72 VanDerWaalsContact O-CA 3.29Å; L24-R72 WeakPolarHBondContact O-CA 3.23Å; L24-R72 WeakPolarHBondContact O-CB 3.47Å; V70-R72 PolarHBondContact O-N 2.78Å; R72-N74 PolarHBondContact NH1-ND2 3.22Å; R72-N74 PolarHBondContact NH1-OD1 3.23Å; R72-E129 IonicContact CZ-OE1 2.81Å; R72-E129 IonicContact NE-OE1 2.7Å; R72-E129 PolarHBondContact NE-OE1 2.85Å; R72-E129 IonicContact NH2-OE1 3.65Å; R72-E129 PolarHBondContact NH2-OE1 3.28Å; R72-E129 VanDerWaalsContact NH2-OE1 3.08Å
73I95.3Very high94.6Very high0 Ų050.8 Ų50.80%027%0.27CS..EExtended strand (participates in β ladder)trans-119.4173.2173.668.6176.1000111.7L24 V28 L48 R49 L69L24-I73 HydrophobicContact CB-CG1 3.82Å; L24-I73 PolarHBondContact N-O 3.23Å; L24-I73 PolarHBondContact O-N 2.86Å; V28-I73 HydrophobicContact CG1-CD1 3.47Å; V28-I73 VanDerWaalsContact CG1-CD1 3.47Å; V28-I73 HydrophobicContact CG1-CG1 3.93Å; L48-I73 HydrophobicContact CD1-CD1 4.25Å; L48-I73 HydrophobicContact CD2-CD1 3.98Å; L48-I73 HydrophobicContact CG-CD1 4.49Å; R49-I73 WeakPolarHBondContact O-CB 3.14Å; L69-I73 HydrophobicContact CD1-CG2 4.04Å
74N96Very high94.8Very high13 Ų1350.9 Ų50.97%0.0727%0.27CS..EExtended strand (participates in β ladder)trans-124.9167167.8-57.6-39.1000109F20 V21 S22 R49 S50 R72F20-N74 HydrophobicContact CE2-CB 3.51Å; F20-N74 HydrophobicContact CZ-CB 3.76Å; V21-N74 CarbonylContact O-C 3.48Å; V21-N74 VanDerWaalsContact O-CA 3.26Å; V21-N74 WeakPolarHBondContact O-CA 3.44Å; V21-N74 WeakPolarHBondContact O-CB 3.3Å; S22-N74 VanDerWaalsContact CA-OD1 3.27Å; S22-N74 WeakPolarHBondContact CA-OD1 3.41Å; S22-N74 WeakPolarHBondContact CB-OD1 3Å; R49-N74 HydrophobicContact CB-CB 4.4Å; R49-N74 PolarHBondContact N-O 3.36Å; R49-N74 PolarHBondContact O-N 3.28Å; R49-N74 VanDerWaalsContact O-O 3.1Å; S50-N74 PolarHBondContact OG-ND2 2.74Å; S50-N74 VanDerWaalsContact OG-ND2 3.09Å; R72-N74 PolarHBondContact NH1-ND2 3.22Å; R72-N74 PolarHBondContact NH1-OD1 3.23Å
75A96.9Very high95Very high0 Ų048.5 Ų48.50%026%0.255CS..EExtended strand (participates in β ladder)trans-138.3153.6171.200000111.9F20 V21 L24 L33 R47 L48F20-A75 WeakPolarHBondContact CA-O 3.32Å; F20-A75 WeakPolarHBondContact CD2-O 3.38Å; V21-A75 HydrophobicContact CB-CB 4.4Å; V21-A75 PolarHBondContact N-O 2.99Å; V21-A75 PolarHBondContact O-N 3.27Å; L24-A75 HydrophobicContact CD1-CB 3.83Å; L33-A75 HydrophobicContact CD2-CB 3.24Å; R47-A75 CarbonylContact O-C 3.57Å; R47-A75 VanDerWaalsContact O-CA 3.3Å; R47-A75 WeakPolarHBondContact O-CA 3.23Å; L48-A75 HydrophobicContact CD2-CB 4.07Å
76Y96.9Very high95.3Very high61 Ų6149 Ų4924%0.23926%0.255CS..EExtended strand (participates in β ladder)trans-106.7127.2158.9-68.2-86.9000107.8T18 V19 F20 V46 R47 R49 C106 R110T18-Y76 HydrophobicContact CG2-CD1 4.02Å; V19-Y76 WeakPolarHBondContact O-CA 3.47Å; F20-Y76 HydrophobicContact CB-CD1 4.28Å; F20-Y76 HydrophobicContact CB-CE1 4.15Å; F20-Y76 HydrophobicContact CD2-CD1 4.07Å; F20-Y76 HydrophobicContact CD2-CD2 4.46Å; F20-Y76 AromaticContact CD2-CE1 3.73Å; F20-Y76 HydrophobicContact CD2-CE1 3.73Å; F20-Y76 HydrophobicContact CD2-CE2 4.13Å; F20-Y76 HydrophobicContact CD2-CG 4.45Å; F20-Y76 AromaticContact CD2-CZ 3.77Å; F20-Y76 HydrophobicContact CE2-CE2 4.33Å; F20-Y76 HydrophobicContact CG-CE1 4.31Å; V46-Y76 WeakPolarHBondContact CA-O 3.42Å; R47-Y76 PolarHBondContact N-O 3.41Å; R47-Y76 PolarHBondContact O-N 2.85Å; R49-Y76 HydrophobicContact CG-CD2 3.65Å; R49-Y76 HydrophobicContact CG-CE2 3.76Å; Y76-C106 WeakPolarHBondContact CD1-SG 3.49Å; Y76-C106 VanDerWaalsContact CE1-SG 3.58Å; Y76-R110 PolarHBondContact OH-NH2 2.92Å
77V97.3Very high95.6Very high0 Ų048.5 Ų48.50%025%0.253CS..EExtended strand (participates in β ladder)trans-116.2112.9175.81790000106.9T18 V19 V21 L33 V37 V43 V46 F79T18-V77 CarbonylContact C-O 3.56Å; T18-V77 WeakPolarHBondContact CA-O 3.45Å; V19-V77 HydrophobicContact CG2-CB 3.72Å; V19-V77 HydrophobicContact CG2-CG1 4.42Å; V19-V77 PolarHBondContact N-O 3.19Å; V19-V77 PolarHBondContact O-N 3.18Å; V21-V77 HydrophobicContact CG2-CG2 4.16Å; L33-V77 HydrophobicContact CD2-CG2 4.06Å; L33-V77 HydrophobicContact CG-CG2 4.27Å; V37-V77 HydrophobicContact CB-CG1 4.26Å; V37-V77 HydrophobicContact CG1-CG2 4.45Å; V37-V77 HydrophobicContact CG2-CG1 3.65Å; V37-V77 HydrophobicContact CG2-CG2 4.45Å; V43-V77 HydrophobicContact CG1-CG1 3.95Å; V43-V77 HydrophobicContact CG2-CG1 4.48Å; V46-V77 HydrophobicContact CG1-CG2 4.41Å; V46-V77 HydrophobicContact CG2-CG1 4.37Å; V46-V77 HydrophobicContact CG2-CG2 4.34Å; V77-F79 HydrophobicContact CG1-CE1 4.43Å; V77-F79 HydrophobicContact CG1-CE2 4.03Å; V77-F79 HydrophobicContact CG1-CZ 3.99Å
78R97.7Very high95.9Very high39 Ų3947.2 Ų47.215%0.14724%0.239CC..EExtended strand (participates in β ladder)trans-98.4123.6174.7-174.2167.967.3-132.53.1109.2R17 T18 E44 T45R17-R78 HydrophobicContact CB-CG 4.31Å; R17-R78 CarbonylContact O-C 3.54Å; R17-R78 WeakPolarHBondContact O-CA 3.45Å; T18-R78 HydrophobicContact CG2-CB 4.34Å; T18-R78 WeakPolarHBondContact OG1-CB 3.46Å; T18-R78 WeakPolarHBondContact OG1-CG 3.14Å; E44-R78 WeakPolarHBondContact CA-O 3.38Å; E44-R78 HydrophobicContact CB-CG 4.45Å; E44-R78 WeakPolarHBondContact CB-O 3.39Å; E44-R78 PolarHBondContact N-O 3.34Å; E44-R78 IonicContact OE1-CZ 3.17Å; E44-R78 VanDerWaalsContact OE1-CZ 3.32Å; E44-R78 IonicContact OE1-NE 2.79Å; E44-R78 PolarHBondContact OE1-NE 2.93Å; E44-R78 VanDerWaalsContact OE1-NE 3.14Å; E44-R78 IonicContact OE1-NH2 3.08Å; E44-R78 PolarHBondContact OE1-NH2 3.21Å; E44-R78 WeakPolarHBondContact OE2-CD 3.14Å; E44-R78 IonicContact OE2-CZ 3.72Å; E44-R78 IonicContact OE2-NE 2.69Å; E44-R78 PolarHBondContact OE2-NE 3.11Å; E44-R78 IonicContact OE2-NH2 2.8Å; T45-R78 PolarHBondContact N-O 3.27Å; T45-R78 VanDerWaalsContact N-O 3.08Å; T45-R78 PolarHBondContact O-N 2.92Å
79F98Very high96Very high0 Ų047 Ų470%024%0.24CC..EExtended strand (participates in β ladder)trans-88.3160.6172.4-65.9-82000110.8R17 V19 V37 F40 P42 V43 V77 E81 S84 V85 A88R17-F79 WeakPolarHBondContact CB-O 3.37Å; R17-F79 PolarHBondContact O-N 2.94Å; V19-F79 HydrophobicContact CG1-CE2 4.34Å; V19-F79 HydrophobicContact CG2-CE2 3.84Å; V37-F79 HydrophobicContact CB-CE1 4.46Å; V37-F79 HydrophobicContact CB-CZ 4.11Å; F40-F79 HydrophobicContact CB-CE1 4.36Å; F40-F79 HydrophobicContact CB-CZ 4.31Å; P42-F79 WeakPolarHBondContact O-CA 3.44Å; V43-F79 HydrophobicContact CG2-CD1 4.03Å; V43-F79 HydrophobicContact CG2-CE1 3.83Å; V77-F79 HydrophobicContact CG1-CE1 4.43Å; V77-F79 HydrophobicContact CG1-CE2 4.03Å; V77-F79 HydrophobicContact CG1-CZ 3.99Å; F79-E81 VanDerWaalsContact C-N 3.3Å; F79-E81 WeakPolarHBondContact CB-O 3.4Å; F79-S84 VanDerWaalsContact CG-CB 3.45Å; F79-V85 HydrophobicContact CD2-CG2 3.95Å; F79-A88 HydrophobicContact CE2-CB 3.69Å; F79-A88 HydrophobicContact CZ-CB 3.76Å
80K96.9Very high96Very high127 Ų12750.9 Ų50.955%0.55227%0.268SS*.SBendtrans-71.2-31.5171.1-61.4-171.2-177.51800111.4R17 P42 E44R17-K80 WeakPolarHBondContact CD-O 3.35Å; R17-K80 PolarHBondContact NH1-O 3.48Å; P42-K80 HydrophobicContact CB-CB 4.4Å; P42-K80 HydrophobicContact CB-CD 4.02Å; P42-K80 HydrophobicContact CB-CG 4.21Å; P42-K80 HydrophobicContact CG-CB 4.09Å; P42-K80 HydrophobicContact CG-CD 4.43Å; P42-K80 HydrophobicContact CG-CG 4.45Å; P42-K80 PolarHBondContact O-N 2.94Å; E44-K80 HydrophobicContact CB-CG 4.08Å
81E96.6Very high96.1Very high100 Ų10048.9 Ų48.947%0.46726%0.255SS..SBendtrans-116.1145.4-174.9-62.1173-164.700111.7P42 F79 S83 S84P42-E81 HydrophobicContact CG-CG 4.46Å; F79-E81 VanDerWaalsContact C-N 3.3Å; F79-E81 WeakPolarHBondContact CB-O 3.4Å; E81-S83 PolarHBondContact OE2-OG 2.87Å; E81-S84 PolarHBondContact O-N 3.34Å
82E96.1Very high96.2Very high91 Ų9147.6 Ų47.643%0.42523%0.233SC..SBendtrans-71.2-33.9176.1-175.8167.7-170.700111.9R16 R17 S84 V85R16-E82 IonicContact NH1-OE1 3.11Å; R17-E82 HydrophobicContact CG-CB 4.25Å; E82-S84 PolarHBondContact O-N 2.89Å; E82-S84 VanDerWaalsContact O-N 3.13Å; E82-V85 VanDerWaalsContact O-CB 3.27Å; E82-V85 WeakPolarHBondContact O-CB 3.26Å; E82-V85 PolarHBondContact O-N 3.43Å
83S96.4Very high96.1Very high50 Ų5046.9 Ų46.935%0.3524%0.238SC..Hα-helixtrans-56.4-29.9175.261.70000113.4E81 V85 K87E81-S83 PolarHBondContact OE2-OG 2.87Å; S83-V85 VanDerWaalsContact C-N 3.28Å; S83-V85 PolarHBondContact O-N 3.5Å; S83-K87 PolarHBondContact O-N 3.01Å
84S97.3Very high96Very high1 Ų148.6 Ų48.61%0.00725%0.25CS..Hα-helixtrans-69.8-27.5178.2-56.20000112.1F40 G41 F79 E81 E82 A88F40-S84 WeakPolarHBondContact O-CA 3.43Å; F40-S84 WeakPolarHBondContact O-CB 3.49Å; F40-S84 PolarHBondContact O-OG 3Å; G41-S84 WeakPolarHBondContact CA-OG 3.46Å; F79-S84 VanDerWaalsContact CG-CB 3.45Å; E81-S84 PolarHBondContact O-N 3.34Å; E82-S84 PolarHBondContact O-N 2.89Å; E82-S84 VanDerWaalsContact O-N 3.13Å; S84-A88 VanDerWaalsContact O-CB 3.28Å; S84-A88 WeakPolarHBondContact O-CB 3.31Å; S84-A88 PolarHBondContact O-N 3.49Å
85V96.5Very high95.9Very high5 Ų554.1 Ų54.13%0.0328%0.275CS..Hα-helixtrans-66.7-47.6177.7169.50000110.4R16 R17 V19 F79 E82 S83 K87 A88 L89R16-V85 WeakPolarHBondContact O-CG2 3.4Å; R17-V85 VanDerWaalsContact C-CG2 3.42Å; V19-V85 HydrophobicContact CG1-CB 4.22Å; V19-V85 HydrophobicContact CG1-CG1 3.7Å; V19-V85 HydrophobicContact CG1-CG2 4.24Å; F79-V85 HydrophobicContact CD2-CG2 3.95Å; E82-V85 VanDerWaalsContact O-CB 3.27Å; E82-V85 WeakPolarHBondContact O-CB 3.26Å; E82-V85 PolarHBondContact O-N 3.43Å; S83-V85 VanDerWaalsContact C-N 3.28Å; S83-V85 PolarHBondContact O-N 3.5Å; V85-K87 VanDerWaalsContact C-N 3.3Å; V85-K87 PolarHBondContact O-N 3.49Å; V85-A88 PolarHBondContact O-N 2.88Å; V85-A88 VanDerWaalsContact O-N 3.1Å; V85-L89 WeakPolarHBondContact O-CG 3.24Å; V85-L89 PolarHBondContact O-N 3.41Å
86E95.4Very high95.8Very high143 Ų14355.2 Ų55.267%0.66828%0.282SS*.Hα-helixtrans-58.5-43.6178.7-64-179169.500111.6L89E86-L89 PolarHBondContact O-N 2.93Å
87K96.9Very high95.6Very high119 Ų11959 Ų5952%0.51730%0.296SS..Hα-helixtrans-63.5-43.9174.8-63.4177.5-172.1176.20111.5F40 S83 V85 L89 S90F40-K87 HydrophobicContact CB-CB 4.04Å; F40-K87 HydrophobicContact CD1-CB 3.94Å; F40-K87 HydrophobicContact CG-CB 4.39Å; S83-K87 PolarHBondContact O-N 3.01Å; V85-K87 VanDerWaalsContact C-N 3.3Å; V85-K87 PolarHBondContact O-N 3.49Å; K87-L89 PolarHBondContact O-N 3.36Å; K87-S90 WeakPolarHBondContact O-CB 3.25Å; K87-S90 PolarHBondContact O-N 3.48Å; K87-S90 VanDerWaalsContact O-N 3.15Å; K87-S90 PolarHBondContact O-OG 3.33Å
88A96.5Very high95.3Very high1 Ų165.7 Ų65.71%0.00833%0.332CS..Hα-helixtrans-66.3-23-179.800000113.6V19 F40 F79 S84 V85 S90 L91V19-A88 HydrophobicContact CG1-CB 4.1Å; F40-A88 HydrophobicContact CB-CB 4.12Å; F40-A88 HydrophobicContact CD2-CB 4Å; F40-A88 HydrophobicContact CG-CB 4.09Å; F79-A88 HydrophobicContact CE2-CB 3.69Å; F79-A88 HydrophobicContact CZ-CB 3.76Å; S84-A88 VanDerWaalsContact O-CB 3.28Å; S84-A88 WeakPolarHBondContact O-CB 3.31Å; S84-A88 PolarHBondContact O-N 3.49Å; V85-A88 PolarHBondContact O-N 2.88Å; V85-A88 VanDerWaalsContact O-N 3.1Å; A88-S90 PolarHBondContact O-N 3.21Å; A88-L91 WeakPolarHBondContact O-CB 3.31Å; A88-L91 PolarHBondContact O-N 3.03Å; A88-L91 VanDerWaalsContact O-N 3.13Å
89L95.3Very high95.3Very high63 Ų6366 Ų6633%0.3334%0.335SS..Hα-helixtrans-64-24.3173.8-68.4175.6000112.8V85 E86 K87 L91 N92 V103V85-L89 WeakPolarHBondContact O-CG 3.24Å; V85-L89 PolarHBondContact O-N 3.41Å; E86-L89 PolarHBondContact O-N 2.93Å; K87-L89 PolarHBondContact O-N 3.36Å; L89-L91 PolarHBondContact O-N 2.82Å; L89-N92 VanDerWaalsContact O-CB 3.27Å; L89-N92 WeakPolarHBondContact O-CB 3.3Å; L89-N92 PolarHBondContact O-N 2.97Å; L89-N92 VanDerWaalsContact O-N 3.09Å; L89-V103 HydrophobicContact CD2-CG1 4.42Å
90S94.7Very high95.2Very high94 Ų9466.9 Ų66.966%0.65734%0.339SS*.THydrogen-bonded Turntrans-64.6-16.317469.10000113.6K87 A88 N92K87-S90 WeakPolarHBondContact O-CB 3.25Å; K87-S90 PolarHBondContact O-N 3.48Å; K87-S90 VanDerWaalsContact O-N 3.15Å; K87-S90 PolarHBondContact O-OG 3.33Å; A88-S90 PolarHBondContact O-N 3.21Å; S90-N92 PolarHBondContact O-N 2.55Å
91L94.2Very high95.1Very high16 Ų1660.9 Ų60.98%0.08431%0.313CS..THydrogen-bonded Turntrans-74.5-11.5174.6-17068.5000112.6L36 V37 F40 A88 L89 G93 S94 V103L36-L91 HydrophobicContact CD1-CD1 4.28Å; L36-L91 HydrophobicContact CD2-CD2 3.94Å; L36-L91 HydrophobicContact CG-CD1 4.4Å; L36-L91 HydrophobicContact CG-CD2 4.09Å; V37-L91 HydrophobicContact CG1-CD2 4.39Å; F40-L91 HydrophobicContact CE2-CB 4.18Å; F40-L91 HydrophobicContact CE2-CD1 4.35Å; F40-L91 HydrophobicContact CE2-CD2 4.16Å; F40-L91 HydrophobicContact CE2-CG 4.47Å; F40-L91 HydrophobicContact CZ-CB 4.13Å; F40-L91 HydrophobicContact CZ-CD1 4.28Å; A88-L91 WeakPolarHBondContact O-CB 3.31Å; A88-L91 PolarHBondContact O-N 3.03Å; A88-L91 VanDerWaalsContact O-N 3.13Å; L89-L91 PolarHBondContact O-N 2.82Å; L91-G93 PolarHBondContact O-N 3.05Å; L91-S94 WeakPolarHBondContact CD1-OG 2.8Å; L91-S94 WeakPolarHBondContact CG-OG 3.42Å; L91-S94 VanDerWaalsContact O-CB 3.31Å; L91-S94 WeakPolarHBondContact O-CB 3.47Å; L91-S94 PolarHBondContact O-N 3.05Å; L91-S94 VanDerWaalsContact O-N 3.1Å; L91-S94 PolarHBondContact O-OG 3.44Å; L91-V103 HydrophobicContact CB-CG2 4.08Å; L91-V103 HydrophobicContact CD2-CG2 4.22Å; L91-V103 HydrophobicContact CG-CG2 4.23Å
92N94.9Very high95.1Very high38 Ų3856.3 Ų56.320%0.20329%0.291CS..THydrogen-bonded Turntrans-61.8126.4-179.1-173.765.5000111.6L89 S90 F102 V103 K143L89-N92 VanDerWaalsContact O-CB 3.27Å; L89-N92 WeakPolarHBondContact O-CB 3.3Å; L89-N92 PolarHBondContact O-N 2.97Å; L89-N92 VanDerWaalsContact O-N 3.09Å; S90-N92 PolarHBondContact O-N 2.55Å; N92-F102 VanDerWaalsContact OD1-CA 3.22Å; N92-F102 WeakPolarHBondContact OD1-CA 3.46Å; N92-V103 HydrophobicContact CB-CB 4.18Å; N92-V103 PolarHBondContact OD1-N 2.68Å; N92-V103 PolarHBondContact OD1-O 2.73Å; N92-K143 PolarHBondContact ND2-O 3.2Å; N92-K143 VanDerWaalsContact ND2-O 3.07Å; N92-K143 PolarHBondContact OD1-O 3.31Å
93G91.7Very high95Very high24 Ų2452.3 Ų52.325%0.24727%0.273CS..THydrogen-bonded Turntrans89.1-3.1-177.300000114.3L91 V101L91-G93 PolarHBondContact O-N 3.05Å; G93-V101 PolarHBondContact N-O 3.37Å
94S94.4Very high94.9Very high36 Ų3652 Ų5225%0.25227%0.267SS..  trans-69.1154.3172.862.40000112.2L91 V101L91-S94 WeakPolarHBondContact CD1-OG 2.8Å; L91-S94 WeakPolarHBondContact CG-OG 3.42Å; L91-S94 VanDerWaalsContact O-CB 3.31Å; L91-S94 WeakPolarHBondContact O-CB 3.47Å; L91-S94 PolarHBondContact O-N 3.05Å; L91-S94 VanDerWaalsContact O-N 3.1Å; L91-S94 PolarHBondContact O-OG 3.44Å; S94-V101 PolarHBondContact O-N 2.97Å
95E94.3Very high94.8Very high128 Ų12852.7 Ų52.760%0.59827%0.273SS*.EExtended strand (participates in β ladder)trans-95.2134.7176.9-68.9175.7-162.700111.6H99 H100E95-H99 CarbonylContact C-O 3.57Å; E95-H99 WeakPolarHBondContact CA-O 3.36Å; E95-H100 IonicContact OE1-CE1 3.84Å; E95-H100 IonicContact OE1-NE2 3.34Å; E95-H100 PolarHBondContact OE1-NE2 3.28Å
96V93.9Very high94.6Very high24 Ų2453.6 Ų53.615%0.14528%0.279CS..EExtended strand (participates in β ladder)trans-128102.8171.5178.50000107.7P25 L36 H99 V101P25-V96 HydrophobicContact CG-CG1 4.13Å; P25-V96 VanDerWaalsContact CG-O 3.29Å; P25-V96 WeakPolarHBondContact CG-O 3.23Å; L36-V96 HydrophobicContact CD2-CG2 3.82Å; V96-H99 PolarHBondContact N-O 3.44Å; V96-H99 WeakPolarHBondContact O-CB 3.18Å; V96-H99 PolarHBondContact O-N 3Å; V96-V101 HydrophobicContact CB-CG2 3.79Å; V96-V101 HydrophobicContact CG2-CG2 3.59Å
97R92.1Very high94.3Very high140 Ų14050.5 Ų50.553%0.52827%0.267SS..THydrogen-bonded Turntrans52.857.4179.8-57.5177.961.1-168.8-9.7111.8P25 D27 H99P25-R97 HydrophobicContact CG-CB 4.09Å; D27-R97 IonicContact OD1-CZ 3.81Å; D27-R97 IonicContact OD1-NH1 2.68Å; D27-R97 PolarHBondContact OD1-NH1 2.97Å; D27-R97 VanDerWaalsContact OD1-NH1 3.1Å; D27-R97 IonicContact OD1-NH2 2.55Å; D27-R97 IonicContact OD2-CZ 3.92Å; D27-R97 IonicContact OD2-NH1 3.81Å; D27-R97 PolarHBondContact OD2-NH1 3.12Å; D27-R97 IonicContact OD2-NH2 3.32Å; D27-R97 PolarHBondContact OD2-NH2 2.68Å; R97-H99 PolarHBondContact O-CD2 3.06Å; R97-H99 VanDerWaalsContact O-CD2 3.24Å; R97-H99 PolarHBondContact O-N 2.83Å
98D92.3Very high93.6Very high141 Ų14147.2 Ų47.275%0.75426%0.259SS*.THydrogen-bonded Turntrans66.315.8179.1-42.1-44.1000114.8
99H95.9Very high92.4Very high44 Ų4455.2 Ų55.220%0.20429%0.293CS..EExtended strand (participates in β ladder)trans-114.3123.6172.1-69.8-85.5000111.7N23 P25 E95 V96 R97 V101 D130N23-H99 WeakPolarHBondContact O-CB 3.23Å; P25-H99 HydrophobicContact CG-CB 4.41Å; E95-H99 CarbonylContact C-O 3.57Å; E95-H99 WeakPolarHBondContact CA-O 3.36Å; V96-H99 PolarHBondContact N-O 3.44Å; V96-H99 WeakPolarHBondContact O-CB 3.18Å; V96-H99 PolarHBondContact O-N 3Å; R97-H99 PolarHBondContact O-CD2 3.06Å; R97-H99 VanDerWaalsContact O-CD2 3.24Å; R97-H99 PolarHBondContact O-N 2.83Å; H99-V101 PolarHBondContact O-N 3.36Å; H99-D130 WeakPolarHBondContact CA-OD1 3.29Å; H99-D130 IonicContact CE1-OD2 2.71Å; H99-D130 IonicContact CG-OD2 3.58Å; H99-D130 IonicContact ND1-OD2 2.73Å; H99-D130 PolarHBondContact ND1-OD2 2.93Å
100H96.3Very high91Very high20 Ų2057.4 Ų57.49%0.09330%0.297CS..EExtended strand (participates in β ladder)trans-72.2110.7170.1-6584.6000109.6N23 E95 F102 D130 Y133N23-H100 WeakPolarHBondContact CB-O 3.19Å; N23-H100 PolarHBondContact ND2-O 3.22Å; E95-H100 IonicContact OE1-CE1 3.84Å; E95-H100 IonicContact OE1-NE2 3.34Å; E95-H100 PolarHBondContact OE1-NE2 3.28Å; H100-F102 HydrophobicContact CB-CZ 4.21Å; H100-F102 WeakPolarHBondContact O-CE2 3.29Å; H100-D130 IonicContact CG-OD1 3.1Å; H100-D130 PolarHBondContact N-OD1 3.19Å; H100-D130 IonicContact ND1-OD1 3.72Å; H100-D130 PolarHBondContact ND1-OD1 2.81Å; H100-Y133 HydrophobicContact CB-CD2 4.15Å; H100-Y133 HydrophobicContact CB-CE2 4.36Å; H100-Y133 HydrophobicContact CB-CG 4.24Å; H100-Y133 AromaticContact CD2-CD1 3.61Å; H100-Y133 AromaticContact CD2-CE1 3.32Å; H100-Y133 WeakPolarHBondContact CD2-CE1 3.28Å; H100-Y133 AromaticContact CD2-CZ 3.54Å; H100-Y133 AromaticContact CE1-CD1 3.65Å; H100-Y133 AromaticContact CE1-CE1 3.93Å; H100-Y133 AromaticContact CG-CD1 3.77Å; H100-Y133 AromaticContact CG-CE1 3.95Å; H100-Y133 AromaticContact CG-CG 3.89Å; H100-Y133 AromaticContact ND1-CD1 3.8Å; H100-Y133 AromaticContact NE2-CD1 3.5Å; H100-Y133 WeakPolarHBondContact NE2-CD1 3.47Å; H100-Y133 AromaticContact NE2-CE1 3.28Å; H100-Y133 VanDerWaalsContact NE2-CE1 3.28Å; H100-Y133 WeakPolarHBondContact NE2-CE1 3.41Å; H100-Y133 AromaticContact NE2-CZ 3.98Å
101V96.1Very high89.5Confident0 Ų058.1 Ų58.10%029%0.292CS..  trans-87.9130.3-176.2179.50000110.3V21 S22 L24 G93 S94 V96 H99 V103V21-V101 HydrophobicContact CG1-CG1 3.22Å; S22-V101 WeakPolarHBondContact O-CA 3.43Å; L24-V101 HydrophobicContact CD2-CG1 4.17Å; L24-V101 HydrophobicContact CD2-CG2 3.89Å; G93-V101 PolarHBondContact N-O 3.37Å; S94-V101 PolarHBondContact O-N 2.97Å; V96-V101 HydrophobicContact CB-CG2 3.79Å; V96-V101 HydrophobicContact CG2-CG2 3.59Å; H99-V101 PolarHBondContact O-N 3.36Å; V101-V103 HydrophobicContact CG1-CG2 4.07Å
102F95Very high88.6Confident4 Ų459.7 Ų59.72%0.01830%0.298CS..EExtended strand (participates in β ladder)trans-104.9125.3174.6-46.9-73000111.1V21 S22 N23 N92 H100 Y133 I142 A144 V145V21-F102 CarbonylContact C-O 3.57Å; V21-F102 WeakPolarHBondContact CA-O 3.37Å; S22-F102 PolarHBondContact N-O 2.88Å; S22-F102 PolarHBondContact O-N 3.24Å; S22-F102 WeakPolarHBondContact OG-CB 3.49Å; S22-F102 PolarHBondContact OG-O 3.19Å; S22-F102 VanDerWaalsContact OG-O 3.11Å; N23-F102 HydrophobicContact CB-CD2 3.98Å; N23-F102 HydrophobicContact CB-CE2 4.02Å; N92-F102 VanDerWaalsContact OD1-CA 3.22Å; N92-F102 WeakPolarHBondContact OD1-CA 3.46Å; H100-F102 HydrophobicContact CB-CZ 4.21Å; H100-F102 WeakPolarHBondContact O-CE2 3.29Å; F102-Y133 AromaticContact CE1-CD2 3.81Å; F102-Y133 HydrophobicContact CE1-CD2 3.81Å; F102-Y133 HydrophobicContact CE1-CE2 4.01Å; F102-Y133 AromaticContact CZ-CD2 3.78Å; F102-Y133 HydrophobicContact CZ-CD2 3.78Å; F102-Y133 HydrophobicContact CZ-CE2 4.42Å; F102-I142 HydrophobicContact CE1-CG2 4.32Å; F102-A144 HydrophobicContact CB-CB 4.46Å; F102-A144 HydrophobicContact CD1-CB 4.47Å; F102-A144 HydrophobicContact CG-CB 4.42Å; F102-V145 HydrophobicContact CE1-CG2 4.23Å; F102-V145 HydrophobicContact CE2-CB 3.71Å; F102-V145 HydrophobicContact CE2-CG2 4.17Å; F102-V145 HydrophobicContact CZ-CB 3.67Å; F102-V145 HydrophobicContact CZ-CG2 3.58Å
103V95.6Very high88Confident8 Ų862.1 Ų62.15%0.04831%0.308CS..EExtended strand (participates in β ladder)trans-117.1124.3-176.7-171.10000109.7V19 F20 V21 L89 L91 N92 V101V19-V103 HydrophobicContact CB-CG1 3.99Å; V19-V103 HydrophobicContact CG1-CG1 4.28Å; V19-V103 HydrophobicContact CG2-CG1 4.36Å; F20-V103 WeakPolarHBondContact O-CA 3.25Å; V21-V103 HydrophobicContact CG1-CG2 4.31Å; V21-V103 HydrophobicContact CG2-CG1 4.43Å; V21-V103 HydrophobicContact CG2-CG2 4.38Å; L89-V103 HydrophobicContact CD2-CG1 4.42Å; L91-V103 HydrophobicContact CB-CG2 4.08Å; L91-V103 HydrophobicContact CD2-CG2 4.22Å; L91-V103 HydrophobicContact CG-CG2 4.23Å; N92-V103 HydrophobicContact CB-CB 4.18Å; N92-V103 PolarHBondContact OD1-N 2.68Å; N92-V103 PolarHBondContact OD1-O 2.73Å; V101-V103 HydrophobicContact CG1-CG2 4.07Å
104D94.2Very high87.7Confident42 Ų4263.7 Ų63.723%0.22531%0.308CS..EExtended strand (participates in β ladder)trans-134.9153.5177.4-164.87.3000110.6V19 F20 S108V19-D104 CarbonylContact C-O 3.57Å; V19-D104 WeakPolarHBondContact CA-O 3.33Å; F20-D104 PolarHBondContact N-O 3.42Å; F20-D104 PolarHBondContact O-N 3.42Å; D104-S108 WeakPolarHBondContact OD1-CB 3.22Å; D104-S108 PolarHBondContact OD1-OG 3.48Å
105S94.1Very high87.5Confident17 Ų1770 Ų7012%0.11933%0.331CS..EExtended strand (participates in β ladder)trans-71.8141.2172.4175.40000109.8L107 S108S105-L107 PolarHBondContact O-N 2.97Å; S105-L107 PolarHBondContact OG-N 3.08Å; S105-S108 VanDerWaalsContact O-CB 3.31Å; S105-S108 WeakPolarHBondContact O-CB 3.18Å; S105-S108 PolarHBondContact O-N 2.93Å
106C93.3Very high87.5Confident24 Ų2466.5 Ų66.516%0.16231%0.312CS..SBendtrans-69.4-17.5173.5-67.90000112.8D15 T18 Y76D15-C106 HydrophobicContact CB-CB 3.93Å; T18-C106 VanDerWaalsContact O-CB 3.3Å; T18-C106 WeakPolarHBondContact O-CB 3.27Å; T18-C106 PolarHBondContact O-N 2.88Å; T18-C106 PolarHBondContact O-SG 3.43Å; Y76-C106 WeakPolarHBondContact CD1-SG 3.49Å; Y76-C106 VanDerWaalsContact CE1-SG 3.58Å
107L88.9Confident87.5Confident78 Ų7865.4 Ų65.441%0.40831%0.305SS..SBendtrans-73.4-31.7172.6-165.369.5000111.7E12 R16 S105 K109E12-L107 HydrophobicContact CG-CD1 4.04Å; R16-L107 HydrophobicContact CG-CD1 4.17Å; R16-L107 HydrophobicContact CG-CD2 4.13Å; S105-L107 PolarHBondContact O-N 2.97Å; S105-L107 PolarHBondContact OG-N 3.08Å; L107-K109 PolarHBondContact O-N 2.8Å; L107-K109 VanDerWaalsContact O-N 3.08Å
108S82.2Confident87.7Confident50 Ų5058.7 Ų58.735%0.3528%0.28SS..SBendtrans-61.4113.8169.8-57.30000108.1D104 S105 R110D104-S108 WeakPolarHBondContact OD1-CB 3.22Å; D104-S108 PolarHBondContact OD1-OG 3.48Å; S105-S108 VanDerWaalsContact O-CB 3.31Å; S105-S108 WeakPolarHBondContact O-CB 3.18Å; S105-S108 PolarHBondContact O-N 2.93Å; S108-R110 PolarHBondContact O-N 2.71Å
109K71.7Confident87.9Confident169 Ų16954.7 Ų54.774%0.73526%0.256SS*.  trans-58.7129.2166.7-64.9-176.6-178.9176.70106.1L107 I111L107-K109 PolarHBondContact O-N 2.8Å; L107-K109 VanDerWaalsContact O-N 3.08Å; K109-I111 HydrophobicContact CB-CD1 3.61Å; K109-I111 HydrophobicContact CB-CG1 3.72Å; K109-I111 HydrophobicContact CD-CD1 3.8Å; K109-I111 HydrophobicContact CG-CD1 4.36Å; K109-I111 PolarHBondContact O-N 3.47Å
110R65.8Low88Confident108 Ų10852.6 Ų52.641%0.40825%0.246SC..  trans-69.250175.6-60.3-174.6-170.3-172.21.3112.1F20 Y76 S108 Y112F20-R110 VanDerWaalsContact CD1-NH2 3.25Å; F20-R110 VanDerWaalsContact CE1-CZ 3.46Å; F20-R110 VanDerWaalsContact CE1-NH1 3.34Å; Y76-R110 PolarHBondContact OH-NH2 2.92Å; S108-R110 PolarHBondContact O-N 2.71Å; R110-Y112 PolarHBondContact O-N 2.86Å
111I62Low88Confident109 Ų10951.9 Ų51.956%0.55924%0.244SC*.  trans-88.5107.4175.2-60.6169.6000103.6K109 E113K109-I111 HydrophobicContact CB-CD1 3.61Å; K109-I111 HydrophobicContact CB-CG1 3.72Å; K109-I111 HydrophobicContact CD-CD1 3.8Å; K109-I111 HydrophobicContact CG-CD1 4.36Å; K109-I111 PolarHBondContact O-N 3.47Å; I111-E113 PolarHBondContact O-N 3Å
112Y75.1Confident88.1Confident50 Ų5054.2 Ų54.220%0.19626%0.257CS..  trans-53.4108.2164.3-58.5-59.6000107.1R110 K114 R146 Y161 V163R110-Y112 PolarHBondContact O-N 2.86Å; Y112-K114 PolarHBondContact O-N 2.84Å; Y112-R146 WeakPolarHBondContact OH-CD 3.43Å; Y112-R146 PolarHBondContact OH-NH1 3.15Å; Y112-Y161 HydrophobicContact CD2-CD1 4.49Å; Y112-Y161 HydrophobicContact CD2-CD2 4.23Å; Y112-Y161 HydrophobicContact CD2-CG 4.13Å; Y112-Y161 AromaticContact CE2-CD2 3.96Å; Y112-Y161 HydrophobicContact CE2-CD2 3.96Å; Y112-Y161 HydrophobicContact CE2-CE2 4.45Å; Y112-Y161 HydrophobicContact CE2-CG 4.25Å; Y112-Y161 HydrophobicContact CG-CG 4.49Å; Y112-V163 HydrophobicContact CD1-CG2 3.37Å; Y112-V163 HydrophobicContact CE1-CG2 3.97Å; Y112-V163 HydrophobicContact CG-CG2 4.39Å
113E82.6Confident88.2Confident88 Ų8854 Ų5441%0.41126%0.256SS..  trans-62.4107179.7-76.2-178.4-139.300107.9I111 K115 R116 S117I111-E113 PolarHBondContact O-N 3Å; E113-K115 PolarHBondContact O-N 2.99Å; E113-R116 HydrophobicContact CB-CB 4.5Å; E113-R116 CarbonylContact O-C 3.59Å; E113-R116 PolarHBondContact O-N 3.11Å; E113-R116 IonicContact OE1-CZ 3.71Å; E113-R116 IonicContact OE1-NH2 3.28Å; E113-R116 PolarHBondContact OE1-NH2 2.69Å; E113-R116 IonicContact OE2-CZ 2.88Å; E113-R116 IonicContact OE2-NE 3.73Å; E113-R116 PolarHBondContact OE2-NE 3.07Å; E113-R116 IonicContact OE2-NH2 2.78Å; E113-R116 PolarHBondContact OE2-NH2 2.76Å; E113-S117 PolarHBondContact N-OG 2.73Å; E113-S117 WeakPolarHBondContact O-CB 3.31Å; E113-S117 PolarHBondContact O-N 2.71Å; E113-S117 PolarHBondContact O-OG 3.1Å
114K85.1Confident88.3Confident58 Ų5854.5 Ų54.525%0.25226%0.259SS..THydrogen-bonded Turntrans-54.2-30.1-170.2-61-178.8-166.61480114.1Y112 R116 I191 G193 E197Y112-K114 PolarHBondContact O-N 2.84Å; K114-R116 VanDerWaalsContact C-N 3.29Å; K114-I191 HydrophobicContact CB-CB 4.39Å; K114-I191 HydrophobicContact CB-CG2 4.47Å; K114-I191 HydrophobicContact CD-CG2 4.47Å; K114-I191 HydrophobicContact CG-CB 4.37Å; K114-I191 HydrophobicContact CG-CG2 3.93Å; K114-G193 VanDerWaalsContact NZ-CA 3.34Å; K114-E197 VanDerWaalsContact CE-OE2 3.25Å; K114-E197 WeakPolarHBondContact CE-OE2 3.46Å; K114-E197 IonicContact NZ-OE1 3.67Å; K114-E197 PolarHBondContact NZ-OE1 3.23Å; K114-E197 IonicContact NZ-OE2 2.61Å; K114-E197 PolarHBondContact NZ-OE2 3.46Å
115K91.1Very high88.3Confident169 Ų16958.2 Ų58.274%0.73527%0.274SS*.THydrogen-bonded Turntrans-72.6-22.4179.2-65.6-173.6179.6-178.50113.2E113E113-K115 PolarHBondContact O-N 2.99Å
116R93.9Very high88.3Confident54 Ų5464 Ų6420%0.20430%0.303CS..THydrogen-bonded Turntrans-118.17.7-176.1-58.3-165.8-78.5166.9-5.3112.8E113 K114 F164 Q165 A167 V170E113-R116 HydrophobicContact CB-CB 4.5Å; E113-R116 CarbonylContact O-C 3.59Å; E113-R116 PolarHBondContact O-N 3.11Å; E113-R116 IonicContact OE1-CZ 3.71Å; E113-R116 IonicContact OE1-NH2 3.28Å; E113-R116 PolarHBondContact OE1-NH2 2.69Å; E113-R116 IonicContact OE2-CZ 2.88Å; E113-R116 IonicContact OE2-NE 3.73Å; E113-R116 PolarHBondContact OE2-NE 3.07Å; E113-R116 IonicContact OE2-NH2 2.78Å; E113-R116 PolarHBondContact OE2-NH2 2.76Å; K114-R116 VanDerWaalsContact C-N 3.29Å; R116-F164 WeakPolarHBondContact CB-O 3.12Å; R116-F164 PolarHBondContact O-N 3.31Å; R116-Q165 WeakPolarHBondContact CD-O 3.38Å; R116-Q165 PolarHBondContact NH1-O 2.79Å; R116-A167 HydrophobicContact CG-CB 4.21Å; R116-V170 VanDerWaalsContact C-CG2 3.46Å
117S94.7Very high88.4Confident0 Ų062.9 Ų62.90%030%0.296CS..EExtended strand (participates in β ladder)trans-125.5141.4-172.7-51.70000110.8E113 V162 I191E113-S117 PolarHBondContact N-OG 2.73Å; E113-S117 WeakPolarHBondContact O-CB 3.31Å; E113-S117 PolarHBondContact O-N 2.71Å; E113-S117 PolarHBondContact O-OG 3.1Å; S117-V162 CarbonylContact C-O 3.5Å; S117-V162 VanDerWaalsContact CA-O 3.23Å; S117-V162 WeakPolarHBondContact CA-O 3.42Å; S117-I191 VanDerWaalsContact CB-CD1 3.41Å
118V96.4Very high88.7Confident0 Ų060.9 Ų60.90%029%0.288CS..EExtended strand (participates in β ladder)trans-112.5145.7171.9-65.80000110.2V120 Y161 V162 F164 V170 A173 I188 F189V118-V120 HydrophobicContact CG2-CG2 4.09Å; V118-Y161 WeakPolarHBondContact O-CA 3.31Å; V118-V162 HydrophobicContact CG2-CB 3.79Å; V118-V162 PolarHBondContact N-O 3.26Å; V118-V162 PolarHBondContact O-N 2.81Å; V118-V162 VanDerWaalsContact O-N 3.1Å; V118-F164 HydrophobicContact CG1-CE2 4.36Å; V118-F164 HydrophobicContact CG2-CE2 3.92Å; V118-V170 HydrophobicContact CG1-CB 4.36Å; V118-V170 HydrophobicContact CG1-CG1 3.8Å; V118-V170 HydrophobicContact CG1-CG2 4.39Å; V118-A173 HydrophobicContact CG1-CB 4.06Å; V118-A173 HydrophobicContact CG2-CB 4.42Å; V118-I188 HydrophobicContact CB-CG2 3.96Å; V118-I188 HydrophobicContact CG1-CG2 4.22Å; V118-I188 HydrophobicContact CG2-CG2 4.3Å; V118-F189 WeakPolarHBondContact CA-O 3.49Å
119F96.4Very high89.4Confident57 Ų5758.7 Ų58.725%0.2527%0.272CS..EExtended strand (participates in β ladder)trans-87.7134.5163.8170.5-87.7000108.2F159 Y161 I188 F189 I191F119-F159 HydrophobicContact CD2-CD2 4.43Å; F119-F159 HydrophobicContact CE2-CB 3.85Å; F119-F159 AromaticContact CE2-CD2 3.58Å; F119-F159 HydrophobicContact CE2-CD2 3.58Å; F119-F159 HydrophobicContact CE2-CE2 4.4Å; F119-F159 AromaticContact CE2-CG 3.99Å; F119-F159 HydrophobicContact CE2-CG 3.99Å; F119-F159 HydrophobicContact CZ-CB 3.75Å; F119-F159 HydrophobicContact CZ-CD2 4.29Å; F119-F159 HydrophobicContact CZ-CG 4.24Å; F119-Y161 HydrophobicContact CB-CD1 4.43Å; F119-Y161 HydrophobicContact CB-CE1 4.32Å; F119-Y161 HydrophobicContact CD2-CD1 4.36Å; F119-Y161 AromaticContact CD2-CE1 3.74Å; F119-Y161 HydrophobicContact CD2-CE1 3.74Å; F119-I188 WeakPolarHBondContact O-CA 3.27Å; F119-F189 HydrophobicContact CD1-CB 4.38Å; F119-F189 AromaticContact CD1-CD2 3.9Å; F119-F189 HydrophobicContact CD1-CD2 3.9Å; F119-F189 HydrophobicContact CE1-CD2 4.21Å; F119-F189 PolarHBondContact N-O 2.84Å; F119-F189 PolarHBondContact O-N 3.23Å; F119-I191 HydrophobicContact CB-CG1 4.25Å
120V97.2Very high90.5Very high0 Ų051 Ų510%024%0.239CC..EExtended strand (participates in β ladder)trans-122.7119.3176.1-167.80000108V118 L123 L132 F136 F159 G160 V162 I186 R187 I188V118-V120 HydrophobicContact CG2-CG2 4.09Å; V120-L123 HydrophobicContact CB-CD1 4.34Å; V120-L123 HydrophobicContact CG1-CD1 4.23Å; V120-L123 HydrophobicContact CG1-CD2 3.66Å; V120-L123 HydrophobicContact CG1-CG 4.06Å; V120-L132 HydrophobicContact CG1-CD2 4.48Å; V120-F136 HydrophobicContact CG1-CE2 4.44Å; V120-F136 HydrophobicContact CG1-CZ 4.44Å; V120-F136 HydrophobicContact CG2-CE2 3.83Å; V120-F136 HydrophobicContact CG2-CZ 3.82Å; V120-F159 CarbonylContact O-C 3.4Å; V120-F159 WeakPolarHBondContact O-CA 3.49Å; V120-F159 WeakPolarHBondContact O-CB 3.3Å; V120-G160 PolarHBondContact N-O 3.43Å; V120-G160 PolarHBondContact O-N 2.99Å; V120-V162 HydrophobicContact CG2-CG2 4.11Å; V120-I186 HydrophobicContact CG1-CB 4.23Å; V120-I186 HydrophobicContact CG1-CD1 4.12Å; V120-R187 CarbonylContact C-O 3.59Å; V120-R187 WeakPolarHBondContact CA-O 3.45Å; V120-I188 HydrophobicContact CG1-CG1 4.34Å
121G97.4Very high92Very high5 Ų550.4 Ų50.45%0.05224%0.241CC..EExtended strand (participates in β ladder)trans-120175.2-178.800000112.4L123 G158 R187G121-L123 PolarHBondContact O-N 3.35Å; G121-G158 CarbonylContact C-O 3.56Å; G121-R187 PolarHBondContact N-O 2.61Å; G121-R187 PolarHBondContact O-N 3.29Å
122N97.5Very high93.6Very high49 Ų4945.2 Ų45.226%0.26221%0.214SC..SBendtrans60.222-175.4-158.143.4000114.6G158 R184 E185 R187N122-G158 PolarHBondContact N-O 2.84Å; N122-R184 PolarHBondContact O-NE 2.95Å; N122-R184 PolarHBondContact OD1-NH2 2.6Å; N122-E185 WeakPolarHBondContact CB-O 3.29Å; N122-E185 PolarHBondContact ND2-O 3.32Å; N122-R187 HydrophobicContact CB-CG 4.18Å
123L97.5Very high94.7Very high0 Ų045 Ų450%021%0.214CC..  trans-65.7149.8179.2-64.9171.9000111.5V120 G121 V127 L132 G158 M181 I186V120-L123 HydrophobicContact CB-CD1 4.34Å; V120-L123 HydrophobicContact CG1-CD1 4.23Å; V120-L123 HydrophobicContact CG1-CD2 3.66Å; V120-L123 HydrophobicContact CG1-CG 4.06Å; G121-L123 PolarHBondContact O-N 3.35Å; L123-V127 HydrophobicContact CB-CG1 3.98Å; L123-V127 HydrophobicContact CD1-CG1 4.23Å; L123-L132 HydrophobicContact CD1-CD1 4.02Å; L123-L132 HydrophobicContact CD1-CD2 4.21Å; L123-L132 HydrophobicContact CD2-CD2 3.69Å; L123-G158 PolarHBondContact N-O 3.42Å; L123-G158 WeakPolarHBondContact O-CA 3.41Å; L123-M181 HydrophobicContact CD2-SD 3.62Å; L123-I186 HydrophobicContact CD2-CB 4.39Å; L123-I186 HydrophobicContact CD2-CG2 3.72Å
124P96.3Very high95.3Very high18 Ų1846.8 Ų46.812%0.11722%0.222CC..  trans-52.3142.5162.8-23.433.9000111D126 V127 M181P124-D126 WeakPolarHBondContact CB-OD1 3.39Å; P124-D126 PolarHBondContact O-N 3.49Å; P124-V127 HydrophobicContact CB-CB 4.32Å; P124-V127 WeakPolarHBondContact O-CB 3.21Å; P124-V127 VanDerWaalsContact O-CG1 3.23Å; P124-V127 WeakPolarHBondContact O-CG1 3.48Å; P124-V127 PolarHBondContact O-N 2.69Å; P124-M181 HydrophobicContact CG-CG 4.21Å; P124-M181 VanDerWaalsContact CG-O 3.25Å; P124-M181 WeakPolarHBondContact CG-O 3.43Å
125F95Very high95.9Very high120 Ų12046.4 Ų46.453%0.52622%0.221SC..THydrogen-bonded Turntrans-71.2-20.7-176.7-63.9-55000113.2G156F125-G156 WeakPolarHBondContact CD1-O 3.26Å; F125-G156 WeakPolarHBondContact O-CA 3.34Å; F125-G156 PolarHBondContact O-N 2.8Å
126D94Very high96.1Very high138 Ų13838.4 Ų38.474%0.73819%0.186SC*.THydrogen-bonded Turntrans-94.4-2.617760.4-27.5000113.5P124 S128P124-D126 WeakPolarHBondContact CB-OD1 3.39Å; P124-D126 PolarHBondContact O-N 3.49Å; D126-S128 PolarHBondContact O-N 3.09Å
127V95.6Very high96.2Very high1 Ų138 Ų381%0.00619%0.194CC..  trans-51.7135.8-179.574.70000111.1L123 P124 Q131 L132 V147 R149 M181L123-V127 HydrophobicContact CB-CG1 3.98Å; L123-V127 HydrophobicContact CD1-CG1 4.23Å; P124-V127 HydrophobicContact CB-CB 4.32Å; P124-V127 WeakPolarHBondContact O-CB 3.21Å; P124-V127 VanDerWaalsContact O-CG1 3.23Å; P124-V127 WeakPolarHBondContact O-CG1 3.48Å; P124-V127 PolarHBondContact O-N 2.69Å; V127-Q131 HydrophobicContact CG2-CB 4.13Å; V127-L132 HydrophobicContact CG2-CG 4.23Å; V127-V147 HydrophobicContact CG1-CG1 4.01Å; V127-V147 HydrophobicContact CG1-CG2 3.99Å; V127-R149 PolarHBondContact O-NH2 3.1Å; V127-M181 HydrophobicContact CG2-CG 4.47Å; V127-M181 HydrophobicContact CG2-SD 3.61Å
128S95.5Very high96.3Very high35 Ų3545.7 Ų45.725%0.24524%0.235CC..  trans-88.6157.317370.10000111.5D126 D130 Q131 L132D126-S128 PolarHBondContact O-N 3.09Å; S128-D130 PolarHBondContact O-N 3.41Å; S128-Q131 PolarHBondContact O-N 2.85Å; S128-Q131 VanDerWaalsContact OG-CG 3.28Å; S128-Q131 WeakPolarHBondContact OG-CG 3.18Å; S128-Q131 PolarHBondContact OG-N 2.79Å; S128-L132 PolarHBondContact O-N 3.16Å
129E96.2Very high96.3Very high4 Ų446.1 Ų46.12%0.01924%0.238CC..Hα-helixtrans-60.5-31.6169.9-75.983.9161.500111.4N23 R72 L132 Y133 V145 V147 R149N23-E129 HydrophobicContact CB-CB 4.36Å; N23-E129 WeakPolarHBondContact OD1-CB 3.46Å; R72-E129 IonicContact CZ-OE1 2.81Å; R72-E129 IonicContact NE-OE1 2.7Å; R72-E129 PolarHBondContact NE-OE1 2.85Å; R72-E129 IonicContact NH2-OE1 3.65Å; R72-E129 PolarHBondContact NH2-OE1 3.28Å; R72-E129 VanDerWaalsContact NH2-OE1 3.08Å; E129-L132 WeakPolarHBondContact O-CB 3.38Å; E129-L132 PolarHBondContact O-N 3.09Å; E129-Y133 PolarHBondContact O-N 3.05Å; E129-V145 HydrophobicContact CB-CB 4.49Å; E129-V145 HydrophobicContact CB-CG1 4.19Å; E129-V145 HydrophobicContact CG-CG1 4.32Å; E129-V147 HydrophobicContact CG-CB 4.39Å; E129-V147 HydrophobicContact CG-CG2 4Å; E129-R149 IonicContact OE1-NE 3.51Å; E129-R149 IonicContact OE2-CZ 3.52Å; E129-R149 IonicContact OE2-NE 3.45Å; E129-R149 PolarHBondContact OE2-NE 3.02Å; E129-R149 IonicContact OE2-NH2 2.72Å; E129-R149 PolarHBondContact OE2-NH2 3.38Å
130D96.3Very high96.3Very high9 Ų944.6 Ų44.65%0.04824%0.239CC..Hα-helixtrans-70.4-42.1178.8-59.3-64.5000112.8N23 H99 H100 S128 L132 Y133 E134N23-D130 PolarHBondContact ND2-OD1 3.18Å; N23-D130 PolarHBondContact ND2-OD2 3.08Å; N23-D130 VanDerWaalsContact ND2-OD2 3.08Å; H99-D130 WeakPolarHBondContact CA-OD1 3.29Å; H99-D130 IonicContact CE1-OD2 2.71Å; H99-D130 IonicContact CG-OD2 3.58Å; H99-D130 IonicContact ND1-OD2 2.73Å; H99-D130 PolarHBondContact ND1-OD2 2.93Å; H100-D130 IonicContact CG-OD1 3.1Å; H100-D130 PolarHBondContact N-OD1 3.19Å; H100-D130 IonicContact ND1-OD1 3.72Å; H100-D130 PolarHBondContact ND1-OD1 2.81Å; S128-D130 PolarHBondContact O-N 3.41Å; D130-L132 PolarHBondContact O-N 2.68Å; D130-Y133 WeakPolarHBondContact O-CA 3.43Å; D130-Y133 VanDerWaalsContact O-CB 3.32Å; D130-Y133 WeakPolarHBondContact O-CB 3.45Å; D130-Y133 PolarHBondContact O-N 3.49Å; D130-E134 WeakPolarHBondContact O-CG 3.49Å; D130-E134 PolarHBondContact O-N 2.85Å
131Q96.1Very high96.2Very high95 Ų9550.3 Ų50.344%0.44427%0.265SS..Hα-helixtrans-59.3-38.1173.1-77.7171.8-28.100112.2V127 S128 H135V127-Q131 HydrophobicContact CG2-CB 4.13Å; S128-Q131 PolarHBondContact O-N 2.85Å; S128-Q131 VanDerWaalsContact OG-CG 3.28Å; S128-Q131 WeakPolarHBondContact OG-CG 3.18Å; S128-Q131 PolarHBondContact OG-N 2.79Å; Q131-H135 VanDerWaalsContact O-CB 3.31Å; Q131-H135 WeakPolarHBondContact O-CB 3.27Å; Q131-H135 PolarHBondContact O-N 3.24Å; Q131-H135 VanDerWaalsContact O-N 3.08Å
132L96.7Very high96.1Very high0 Ų050.2 Ų50.20%026%0.264CS..Hα-helixtrans-68.2-40.8172.6-77.1-176.5000111.5V120 L123 V127 S128 E129 D130 H135 F136 V145 V147 M181V120-L132 HydrophobicContact CG1-CD2 4.48Å; L123-L132 HydrophobicContact CD1-CD1 4.02Å; L123-L132 HydrophobicContact CD1-CD2 4.21Å; L123-L132 HydrophobicContact CD2-CD2 3.69Å; V127-L132 HydrophobicContact CG2-CG 4.23Å; S128-L132 PolarHBondContact O-N 3.16Å; E129-L132 WeakPolarHBondContact O-CB 3.38Å; E129-L132 PolarHBondContact O-N 3.09Å; D130-L132 PolarHBondContact O-N 2.68Å; L132-H135 PolarHBondContact O-N 3.27Å; L132-F136 HydrophobicContact CD2-CE2 4.21Å; L132-F136 VanDerWaalsContact O-CD2 3.23Å; L132-F136 WeakPolarHBondContact O-CD2 3.49Å; L132-F136 PolarHBondContact O-N 3.2Å; L132-V145 HydrophobicContact CB-CG1 3.72Å; L132-V145 HydrophobicContact CD1-CG1 3.76Å; L132-V145 HydrophobicContact CG-CG1 4.41Å; L132-V147 HydrophobicContact CD1-CG2 3.57Å; L132-M181 HydrophobicContact CD2-CE 3.87Å; L132-M181 HydrophobicContact CD2-SD 3.85Å
133Y96.7Very high95.9Very high45 Ų4550.9 Ų50.918%0.17626%0.264CS..Hα-helixtrans-57.9-52.3177.4-174.4-83.1000110.7H100 F102 E129 D130 H135 F136 A137 I142 V145H100-Y133 HydrophobicContact CB-CD2 4.15Å; H100-Y133 HydrophobicContact CB-CE2 4.36Å; H100-Y133 HydrophobicContact CB-CG 4.24Å; H100-Y133 AromaticContact CD2-CD1 3.61Å; H100-Y133 AromaticContact CD2-CE1 3.32Å; H100-Y133 WeakPolarHBondContact CD2-CE1 3.28Å; H100-Y133 AromaticContact CD2-CZ 3.54Å; H100-Y133 AromaticContact CE1-CD1 3.65Å; H100-Y133 AromaticContact CE1-CE1 3.93Å; H100-Y133 AromaticContact CG-CD1 3.77Å; H100-Y133 AromaticContact CG-CE1 3.95Å; H100-Y133 AromaticContact CG-CG 3.89Å; H100-Y133 AromaticContact ND1-CD1 3.8Å; H100-Y133 AromaticContact NE2-CD1 3.5Å; H100-Y133 WeakPolarHBondContact NE2-CD1 3.47Å; H100-Y133 AromaticContact NE2-CE1 3.28Å; H100-Y133 VanDerWaalsContact NE2-CE1 3.28Å; H100-Y133 WeakPolarHBondContact NE2-CE1 3.41Å; H100-Y133 AromaticContact NE2-CZ 3.98Å; F102-Y133 AromaticContact CE1-CD2 3.81Å; F102-Y133 HydrophobicContact CE1-CD2 3.81Å; F102-Y133 HydrophobicContact CE1-CE2 4.01Å; F102-Y133 AromaticContact CZ-CD2 3.78Å; F102-Y133 HydrophobicContact CZ-CD2 3.78Å; F102-Y133 HydrophobicContact CZ-CE2 4.42Å; E129-Y133 PolarHBondContact O-N 3.05Å; D130-Y133 WeakPolarHBondContact O-CA 3.43Å; D130-Y133 VanDerWaalsContact O-CB 3.32Å; D130-Y133 WeakPolarHBondContact O-CB 3.45Å; D130-Y133 PolarHBondContact O-N 3.49Å; Y133-H135 PolarHBondContact O-N 3.49Å; Y133-F136 CarbonylContact O-C 3.48Å; Y133-F136 PolarHBondContact O-N 3.14Å; Y133-A137 PolarHBondContact O-N 3.17Å; Y133-I142 HydrophobicContact CD2-CB 3.91Å; Y133-I142 HydrophobicContact CD2-CD1 3.75Å; Y133-I142 HydrophobicContact CD2-CG1 4.42Å; Y133-I142 HydrophobicContact CD2-CG2 3.91Å; Y133-I142 HydrophobicContact CE2-CB 3.67Å; Y133-I142 HydrophobicContact CE2-CD1 4.11Å; Y133-I142 HydrophobicContact CE2-CG1 4.39Å; Y133-I142 HydrophobicContact CE2-CG2 4.06Å; Y133-I142 HydrophobicContact CG-CD1 3.99Å; Y133-I142 VanDerWaalsContact O-CD1 3.24Å; Y133-I142 WeakPolarHBondContact O-CD1 3.31Å; Y133-V145 HydrophobicContact CD2-CG2 4.27Å
134E96Very high95.8Very high126 Ų12652 Ų5259%0.58927%0.274SS*.Hα-helixtrans-58.4-45.5177.9-69.7170.4-170.700112D130 F136 A137D130-E134 WeakPolarHBondContact O-CG 3.49Å; D130-E134 PolarHBondContact O-N 2.85Å; E134-F136 PolarHBondContact O-N 2.8Å; E134-A137 WeakPolarHBondContact O-CB 3.34Å; E134-A137 PolarHBondContact O-N 2.93Å
135H96.7Very high95.8Very high50 Ų5051.6 Ų51.623%0.23127%0.271CS..Hα-helixtrans-60.6-30-180-170.478.4000113.6Q131 L132 Y133 S179 M181 I186Q131-H135 VanDerWaalsContact O-CB 3.31Å; Q131-H135 WeakPolarHBondContact O-CB 3.27Å; Q131-H135 PolarHBondContact O-N 3.24Å; Q131-H135 VanDerWaalsContact O-N 3.08Å; L132-H135 PolarHBondContact O-N 3.27Å; Y133-H135 PolarHBondContact O-N 3.49Å; H135-S179 PolarHBondContact CE1-OG 3.28Å; H135-S179 PolarHBondContact NE2-OG 3.36Å; H135-M181 HydrophobicContact CB-CE 3.59Å; H135-I186 WeakPolarHBondContact NE2-CD1 3.26Å
136F97Very high95.8Very high0 Ų050.8 Ų50.80%026%0.264CS..Hα-helixtrans-104.2-0.4-178.3-74-70000113.8V120 L132 Y133 E134 D138 C139 I142 V162 F164 A173 L176 I186 I188V120-F136 HydrophobicContact CG1-CE2 4.44Å; V120-F136 HydrophobicContact CG1-CZ 4.44Å; V120-F136 HydrophobicContact CG2-CE2 3.83Å; V120-F136 HydrophobicContact CG2-CZ 3.82Å; L132-F136 HydrophobicContact CD2-CE2 4.21Å; L132-F136 VanDerWaalsContact O-CD2 3.23Å; L132-F136 WeakPolarHBondContact O-CD2 3.49Å; L132-F136 PolarHBondContact O-N 3.2Å; Y133-F136 CarbonylContact O-C 3.48Å; Y133-F136 PolarHBondContact O-N 3.14Å; E134-F136 PolarHBondContact O-N 2.8Å; F136-D138 VanDerWaalsContact C-N 3.27Å; F136-D138 PolarHBondContact O-N 2.78Å; F136-C139 VanDerWaalsContact O-CB 3.3Å; F136-C139 WeakPolarHBondContact O-CB 3.2Å; F136-C139 PolarHBondContact O-N 2.84Å; F136-I142 HydrophobicContact CB-CD1 3.78Å; F136-V162 HydrophobicContact CB-CG1 4.34Å; F136-V162 HydrophobicContact CD2-CB 4.46Å; F136-V162 HydrophobicContact CD2-CG1 4.4Å; F136-V162 HydrophobicContact CD2-CG2 3.72Å; F136-V162 HydrophobicContact CE2-CG2 3.93Å; F136-V162 HydrophobicContact CG-CG1 4.38Å; F136-V162 HydrophobicContact CG-CG2 4.47Å; F136-F164 HydrophobicContact CB-CE1 4.1Å; F136-F164 HydrophobicContact CB-CZ 4Å; F136-F164 AromaticContact CD1-CZ 3.96Å; F136-F164 HydrophobicContact CD1-CZ 3.96Å; F136-F164 HydrophobicContact CG-CZ 4.17Å; F136-A173 HydrophobicContact CD1-CB 3.87Å; F136-A173 HydrophobicContact CE1-CB 3.79Å; F136-L176 HydrophobicContact CD1-CD1 4.06Å; F136-L176 HydrophobicContact CE1-CD1 4.09Å; F136-I186 HydrophobicContact CZ-CD1 4.31Å; F136-I188 HydrophobicContact CE1-CD1 3.66Å; F136-I188 HydrophobicContact CZ-CD1 3.55Å; F136-I188 HydrophobicContact CZ-CG1 4.16Å
137A95.6Very high95.9Very high45 Ų4544.3 Ų44.337%0.37223%0.23SC..Hα-helixtrans-56.2-42-17600000111.9Y133 E134 C139 G140Y133-A137 PolarHBondContact O-N 3.17Å; E134-A137 WeakPolarHBondContact O-CB 3.34Å; E134-A137 PolarHBondContact O-N 2.93Å; A137-C139 PolarHBondContact O-N 3Å; A137-G140 PolarHBondContact O-N 3.32Å
138D96Very high95.9Very high162 Ų16245.1 Ų45.187%0.86623%0.234SC*.THydrogen-bonded Turntrans-70.4-14.3179.9-64.6-24.9000113.9F136 G140F136-D138 VanDerWaalsContact C-N 3.27Å; F136-D138 PolarHBondContact O-N 2.78Å; D138-G140 VanDerWaalsContact C-N 3.31Å
139C96.7Very high95.9Very high9 Ų946.1 Ų46.16%0.06123%0.233CC..THydrogen-bonded Turntrans-79.2-18176-62.50000112.4F136 A137 F164 S169 L172 A173 L176F136-C139 VanDerWaalsContact O-CB 3.3Å; F136-C139 WeakPolarHBondContact O-CB 3.2Å; F136-C139 PolarHBondContact O-N 2.84Å; A137-C139 PolarHBondContact O-N 3Å; C139-F164 HydrophobicContact CB-CE1 3.94Å; C139-F164 HydrophobicContact CB-CZ 4.09Å; C139-S169 WeakPolarHBondContact O-CA 3.45Å; C139-S169 WeakPolarHBondContact O-CB 3.43Å; C139-S169 PolarHBondContact O-OG 3.15Å; C139-L172 HydrophobicContact CB-CB 4.04Å; C139-A173 HydrophobicContact CB-CB 4.42Å; C139-L176 VanDerWaalsContact SG-CD1 3.55Å
140G95.3Very high95.7Very high25 Ų2548.7 Ų48.726%0.25825%0.247SC..  trans128.8177.9179.200000113.1A137 D138 I142A137-G140 PolarHBondContact O-N 3.32Å; D138-G140 VanDerWaalsContact C-N 3.31Å; G140-I142 PolarHBondContact O-N 3.13Å
141E95.4Very high95.4Very high121 Ų12157.3 Ų57.357%0.56528%0.284SS*.  trans-60.1123.7-170.5-164.9-170.1149.500112.9F164 Q165E141-F164 CarbonylContact O-C 3.59Å; E141-F164 WeakPolarHBondContact O-CA 3.35Å; E141-Q165 HydrophobicContact CB-CB 4.27Å; E141-Q165 HydrophobicContact CB-CG 4.05Å; E141-Q165 HydrophobicContact CG-CG 3.89Å; E141-Q165 PolarHBondContact O-N 3.08Å; E141-Q165 PolarHBondContact OE1-NE2 3.04Å
142I95.9Very high95Very high3 Ų359.3 Ų59.32%0.01529%0.291CS..EExtended strand (participates in β ladder)trans-92.3120.3-177.8-61172.2000109.4F102 Y133 F136 G140 V145 V162 V163 F164F102-I142 HydrophobicContact CE1-CG2 4.32Å; Y133-I142 HydrophobicContact CD2-CB 3.91Å; Y133-I142 HydrophobicContact CD2-CD1 3.75Å; Y133-I142 HydrophobicContact CD2-CG1 4.42Å; Y133-I142 HydrophobicContact CD2-CG2 3.91Å; Y133-I142 HydrophobicContact CE2-CB 3.67Å; Y133-I142 HydrophobicContact CE2-CD1 4.11Å; Y133-I142 HydrophobicContact CE2-CG1 4.39Å; Y133-I142 HydrophobicContact CE2-CG2 4.06Å; Y133-I142 HydrophobicContact CG-CD1 3.99Å; Y133-I142 VanDerWaalsContact O-CD1 3.24Å; Y133-I142 WeakPolarHBondContact O-CD1 3.31Å; F136-I142 HydrophobicContact CB-CD1 3.78Å; G140-I142 PolarHBondContact O-N 3.13Å; I142-V145 HydrophobicContact CG2-CG2 3.64Å; I142-V162 HydrophobicContact CD1-CG1 4.43Å; I142-V162 HydrophobicContact CG1-CG1 4.36Å; I142-V162 HydrophobicContact CG2-CG1 4.13Å; I142-V163 CarbonylContact C-O 3.55Å; I142-F164 HydrophobicContact CG1-CD1 4Å; I142-F164 HydrophobicContact CG1-CE1 3.84Å
143K94.4Very high94.7Very high62 Ų6265.2 Ų65.227%0.2731%0.314SS..EExtended strand (participates in β ladder)trans-76.7-43.5174.1-176176.6179.61680111.9N92 V163 Q165N92-K143 PolarHBondContact ND2-O 3.2Å; N92-K143 VanDerWaalsContact ND2-O 3.07Å; N92-K143 PolarHBondContact OD1-O 3.31Å; K143-V163 WeakPolarHBondContact CA-O 3.42Å; K143-V163 HydrophobicContact CB-CB 4.32Å; K143-V163 HydrophobicContact CB-CG1 4.1Å; K143-V163 HydrophobicContact CD-CG1 4.29Å; K143-V163 PolarHBondContact N-O 2.76Å; K143-Q165 HydrophobicContact CB-CG 4.23Å
144A94.8Very high94.4Very high25 Ų2564 Ų6421%0.20732%0.316CS..EExtended strand (participates in β ladder)trans-158.9144.1-177.600000112.4F102 V163F102-A144 HydrophobicContact CB-CB 4.46Å; F102-A144 HydrophobicContact CD1-CB 4.47Å; F102-A144 HydrophobicContact CG-CB 4.42Å; A144-V163 HydrophobicContact CB-CB 4.21Å; A144-V163 HydrophobicContact CB-CG2 4.17Å; A144-V163 PolarHBondContact N-O 2.96Å; A144-V163 PolarHBondContact O-N 3.48Å
145V96.1Very high94.2Very high8 Ų863.5 Ų63.55%0.04832%0.317CS..EExtended strand (participates in β ladder)trans-117.3140.4168.4-1770000109.7F102 E129 L132 Y133 I142 V162F102-V145 HydrophobicContact CE1-CG2 4.23Å; F102-V145 HydrophobicContact CE2-CB 3.71Å; F102-V145 HydrophobicContact CE2-CG2 4.17Å; F102-V145 HydrophobicContact CZ-CB 3.67Å; F102-V145 HydrophobicContact CZ-CG2 3.58Å; E129-V145 HydrophobicContact CB-CB 4.49Å; E129-V145 HydrophobicContact CB-CG1 4.19Å; E129-V145 HydrophobicContact CG-CG1 4.32Å; L132-V145 HydrophobicContact CB-CG1 3.72Å; L132-V145 HydrophobicContact CD1-CG1 3.76Å; L132-V145 HydrophobicContact CG-CG1 4.41Å; Y133-V145 HydrophobicContact CD2-CG2 4.27Å; I142-V145 HydrophobicContact CG2-CG2 3.64Å; V145-V162 HydrophobicContact CG1-CG2 4.4Å; V145-V162 HydrophobicContact CG2-CG1 4.48Å
146R95.1Very high94.1Very high103 Ų10361.5 Ų61.539%0.38931%0.309SS..EExtended strand (participates in β ladder)trans-139.3115.2170177.5-179.9173.2-170.8-4.5111.4Y112 G160 Y161Y112-R146 WeakPolarHBondContact OH-CD 3.43Å; Y112-R146 PolarHBondContact OH-NH1 3.15Å; R146-G160 CarbonylContact O-C 3.58Å; R146-G160 WeakPolarHBondContact O-CA 3.3Å; R146-Y161 PolarHBondContact N-O 3.02Å; R146-Y161 PolarHBondContact O-N 2.93Å
147V96Very high94Very high2 Ų267 Ų671%0.01233%0.333CS..EExtended strand (participates in β ladder)trans-81129.8160.6-177.60000108.7V127 E129 L132 R149V127-V147 HydrophobicContact CG1-CG1 4.01Å; V127-V147 HydrophobicContact CG1-CG2 3.99Å; E129-V147 HydrophobicContact CG-CB 4.39Å; E129-V147 HydrophobicContact CG-CG2 4Å; L132-V147 HydrophobicContact CD1-CG2 3.57Å; V147-R149 HydrophobicContact CB-CG 4.45Å; V147-R149 HydrophobicContact CG1-CG 4.02Å; V147-R149 PolarHBondContact O-N 3.3Å
148V95.5Very high94.1Very high18 Ų1865.3 Ų65.311%0.10932%0.32CS..EExtended strand (participates in β ladder)trans-81.8120.5174.7-1780000108.7K157 F159 Y161V148-K157 HydrophobicContact CG1-CD 4.04Å; V148-K157 HydrophobicContact CG1-CG 4.38Å; V148-K157 WeakPolarHBondContact O-CB 3.39Å; V148-K157 PolarHBondContact O-N 2.96Å; V148-F159 HydrophobicContact CB-CD2 4.05Å; V148-F159 HydrophobicContact CB-CE1 4.23Å; V148-F159 HydrophobicContact CB-CE2 3.67Å; V148-F159 HydrophobicContact CB-CZ 3.77Å; V148-F159 HydrophobicContact CG1-CE1 4.21Å; V148-F159 HydrophobicContact CG1-CE2 3.98Å; V148-F159 HydrophobicContact CG1-CZ 3.64Å; V148-F159 HydrophobicContact CG2-CD2 3.84Å; V148-F159 HydrophobicContact CG2-CE2 3.43Å; V148-F159 VanDerWaalsContact CG2-CE2 3.43Å; V148-F159 HydrophobicContact CG2-CZ 4.01Å; V148-F159 PolarHBondContact N-O 3.35Å; V148-Y161 HydrophobicContact CG2-CD2 4.23Å; V148-Y161 HydrophobicContact CG2-CE2 3.89Å
149R95.1Very high94.1Very high57 Ų5760.3 Ų60.322%0.21529%0.291CS..EExtended strand (participates in β ladder)trans-123157-175.2-60.1176.1-175.8-77.90.8111.2V127 E129 V147 G154 L155V127-R149 PolarHBondContact O-NH2 3.1Å; E129-R149 IonicContact OE1-NE 3.51Å; E129-R149 IonicContact OE2-CZ 3.52Å; E129-R149 IonicContact OE2-NE 3.45Å; E129-R149 PolarHBondContact OE2-NE 3.02Å; E129-R149 IonicContact OE2-NH2 2.72Å; E129-R149 PolarHBondContact OE2-NH2 3.38Å; V147-R149 HydrophobicContact CB-CG 4.45Å; V147-R149 HydrophobicContact CG1-CG 4.02Å; V147-R149 PolarHBondContact O-N 3.3Å; R149-G154 WeakPolarHBondContact CD-O 3.22Å; R149-L155 CarbonylContact C-O 3.53Å; R149-L155 VanDerWaalsContact CA-O 3.23Å; R149-L155 WeakPolarHBondContact CA-O 3.5Å
150D93Very high94.1Very high58 Ų5859.9 Ų59.931%0.3129%0.288SS..  trans-66.9137.7166.8-176-98.6000110.9K152 Y153 G154 L155D150-K152 WeakPolarHBondContact OD1-CA 3.36Å; D150-K152 VanDerWaalsContact OD1-CB 3.31Å; D150-K152 WeakPolarHBondContact OD1-CB 3.45Å; D150-K152 PolarHBondContact OD1-N 2.83Å; D150-Y153 PolarHBondContact OD1-N 3.03Å; D150-G154 VanDerWaalsContact O-CA 3.24Å; D150-G154 WeakPolarHBondContact O-CA 3.21Å; D150-G154 PolarHBondContact O-N 3.02Å; D150-L155 PolarHBondContact N-O 3Å
151K90.3Very high94.1Very high189 Ų18961.3 Ų61.382%0.82229%0.286SS*.THydrogen-bonded Turntrans-78.6-21-174.6-65.6-179.4-176.6173.80113.4I52I52-K151 WeakPolarHBondContact CD1-O 3.41Å
152K87.6Confident94.2Very high137 Ų13755.6 Ų55.660%0.59626%0.259SS*.THydrogen-bonded Turntrans-87.7-46.3-176.9-172.8177.5176.7-166.20110.4D150D150-K152 WeakPolarHBondContact OD1-CA 3.36Å; D150-K152 VanDerWaalsContact OD1-CB 3.31Å; D150-K152 WeakPolarHBondContact OD1-CB 3.45Å; D150-K152 PolarHBondContact OD1-N 2.83Å
153Y89Confident94.1Very high124 Ų12456 Ų5649%0.48626%0.261SS..THydrogen-bonded Turntrans-110.7-9.4-173.1-52.9-68.6000114.6D150 L155D150-Y153 PolarHBondContact OD1-N 3.03Å; Y153-L155 PolarHBondContact O-N 3.3Å
154G90.8Very high94.2Very high21 Ų2153 Ų5322%0.21625%0.249CC..  trans74.8-0.2-179.400000115.1R149 D150R149-G154 WeakPolarHBondContact CD-O 3.22Å; D150-G154 VanDerWaalsContact O-CA 3.24Å; D150-G154 WeakPolarHBondContact O-CA 3.21Å; D150-G154 PolarHBondContact O-N 3.02Å
155L92.1Very high94.2Very high115 Ų11554.2 Ų54.260%0.60225%0.25SC*.  trans-64.2135.2179-65171.1000111.2R149 D150 Y153R149-L155 CarbonylContact C-O 3.53Å; R149-L155 VanDerWaalsContact CA-O 3.23Å; R149-L155 WeakPolarHBondContact CA-O 3.5Å; D150-L155 PolarHBondContact N-O 3Å; Y153-L155 PolarHBondContact O-N 3.3Å
156G94.2Very high94.1Very high7 Ų758 Ų587%0.07227%0.27CS..EExtended strand (participates in β ladder)trans-63.6145.5174.800000111.8F125 G158F125-G156 WeakPolarHBondContact CD1-O 3.26Å; F125-G156 WeakPolarHBondContact O-CA 3.34Å; F125-G156 PolarHBondContact O-N 2.8Å; G156-G158 VanDerWaalsContact C-N 3.3Å
157K96.1Very high94.1Very high117 Ų11755.7 Ų55.751%0.50927%0.273SS..EExtended strand (participates in β ladder)trans-89.24173.4-62.9-162.3177.1-164.90113.2V148 F159V148-K157 HydrophobicContact CG1-CD 4.04Å; V148-K157 HydrophobicContact CG1-CG 4.38Å; V148-K157 WeakPolarHBondContact O-CB 3.39Å; V148-K157 PolarHBondContact O-N 2.96Å; K157-F159 HydrophobicContact CB-CD1 3.8Å; K157-F159 HydrophobicContact CB-CE1 3.56Å; K157-F159 HydrophobicContact CD-CE1 4.12Å; K157-F159 HydrophobicContact CG-CE1 4.47Å
158G96.3Very high94.1Very high9 Ų959.3 Ų59.39%0.09330%0.298CS..EExtended strand (participates in β ladder)trans78.118.2-178.700000114.2G121 N122 L123 G156G121-G158 CarbonylContact C-O 3.56Å; N122-G158 PolarHBondContact N-O 2.84Å; L123-G158 PolarHBondContact N-O 3.42Å; L123-G158 WeakPolarHBondContact O-CA 3.41Å; G156-G158 VanDerWaalsContact C-N 3.3Å
159F97Very high94.1Very high57 Ų5758.7 Ų58.725%0.2529%0.294CS..EExtended strand (participates in β ladder)trans-150161.1172.672.4-85.9000112.6F119 V120 V148 K157 Y161F119-F159 HydrophobicContact CD2-CD2 4.43Å; F119-F159 HydrophobicContact CE2-CB 3.85Å; F119-F159 AromaticContact CE2-CD2 3.58Å; F119-F159 HydrophobicContact CE2-CD2 3.58Å; F119-F159 HydrophobicContact CE2-CE2 4.4Å; F119-F159 AromaticContact CE2-CG 3.99Å; F119-F159 HydrophobicContact CE2-CG 3.99Å; F119-F159 HydrophobicContact CZ-CB 3.75Å; F119-F159 HydrophobicContact CZ-CD2 4.29Å; F119-F159 HydrophobicContact CZ-CG 4.24Å; V120-F159 CarbonylContact O-C 3.4Å; V120-F159 WeakPolarHBondContact O-CA 3.49Å; V120-F159 WeakPolarHBondContact O-CB 3.3Å; V148-F159 HydrophobicContact CB-CD2 4.05Å; V148-F159 HydrophobicContact CB-CE1 4.23Å; V148-F159 HydrophobicContact CB-CE2 3.67Å; V148-F159 HydrophobicContact CB-CZ 3.77Å; V148-F159 HydrophobicContact CG1-CE1 4.21Å; V148-F159 HydrophobicContact CG1-CE2 3.98Å; V148-F159 HydrophobicContact CG1-CZ 3.64Å; V148-F159 HydrophobicContact CG2-CD2 3.84Å; V148-F159 HydrophobicContact CG2-CE2 3.43Å; V148-F159 VanDerWaalsContact CG2-CE2 3.43Å; V148-F159 HydrophobicContact CG2-CZ 4.01Å; V148-F159 PolarHBondContact N-O 3.35Å; K157-F159 HydrophobicContact CB-CD1 3.8Å; K157-F159 HydrophobicContact CB-CE1 3.56Å; K157-F159 HydrophobicContact CD-CE1 4.12Å; K157-F159 HydrophobicContact CG-CE1 4.47Å; F159-Y161 HydrophobicContact CE2-CE2 4.36Å
160G96.1Very high94.2Very high0 Ų056.2 Ų56.20%029%0.286CS..EExtended strand (participates in β ladder)trans-161.3-174.7-177.600000113V120 R146V120-G160 PolarHBondContact N-O 3.43Å; V120-G160 PolarHBondContact O-N 2.99Å; R146-G160 CarbonylContact O-C 3.58Å; R146-G160 WeakPolarHBondContact O-CA 3.3Å
161Y96Very high94.3Very high55 Ų5559.1 Ų59.122%0.21630%0.301CS..EExtended strand (participates in β ladder)trans-133.9138.9179.1-57.4-81.1000109.5Y112 V118 F119 R146 V148 F159 I191Y112-Y161 HydrophobicContact CD2-CD1 4.49Å; Y112-Y161 HydrophobicContact CD2-CD2 4.23Å; Y112-Y161 HydrophobicContact CD2-CG 4.13Å; Y112-Y161 AromaticContact CE2-CD2 3.96Å; Y112-Y161 HydrophobicContact CE2-CD2 3.96Å; Y112-Y161 HydrophobicContact CE2-CE2 4.45Å; Y112-Y161 HydrophobicContact CE2-CG 4.25Å; Y112-Y161 HydrophobicContact CG-CG 4.49Å; V118-Y161 WeakPolarHBondContact O-CA 3.31Å; F119-Y161 HydrophobicContact CB-CD1 4.43Å; F119-Y161 HydrophobicContact CB-CE1 4.32Å; F119-Y161 HydrophobicContact CD2-CD1 4.36Å; F119-Y161 AromaticContact CD2-CE1 3.74Å; F119-Y161 HydrophobicContact CD2-CE1 3.74Å; R146-Y161 PolarHBondContact N-O 3.02Å; R146-Y161 PolarHBondContact O-N 2.93Å; V148-Y161 HydrophobicContact CG2-CD2 4.23Å; V148-Y161 HydrophobicContact CG2-CE2 3.89Å; F159-Y161 HydrophobicContact CE2-CE2 4.36Å; Y161-I191 HydrophobicContact CD1-CD1 3.5Å; Y161-I191 HydrophobicContact CD1-CG1 4.29Å; Y161-I191 HydrophobicContact CE1-CD1 3.95Å; Y161-I191 HydrophobicContact CE1-CG1 4.49Å
162V96.4Very high94.7Very high0 Ų053.8 Ų53.80%028%0.281CS..EExtended strand (participates in β ladder)trans-119.7128.3171.1-179.50000107.5S117 V118 V120 F136 I142 V145 F164S117-V162 CarbonylContact C-O 3.5Å; S117-V162 VanDerWaalsContact CA-O 3.23Å; S117-V162 WeakPolarHBondContact CA-O 3.42Å; V118-V162 HydrophobicContact CG2-CB 3.79Å; V118-V162 PolarHBondContact N-O 3.26Å; V118-V162 PolarHBondContact O-N 2.81Å; V118-V162 VanDerWaalsContact O-N 3.1Å; V120-V162 HydrophobicContact CG2-CG2 4.11Å; F136-V162 HydrophobicContact CB-CG1 4.34Å; F136-V162 HydrophobicContact CD2-CB 4.46Å; F136-V162 HydrophobicContact CD2-CG1 4.4Å; F136-V162 HydrophobicContact CD2-CG2 3.72Å; F136-V162 HydrophobicContact CE2-CG2 3.93Å; F136-V162 HydrophobicContact CG-CG1 4.38Å; F136-V162 HydrophobicContact CG-CG2 4.47Å; I142-V162 HydrophobicContact CD1-CG1 4.43Å; I142-V162 HydrophobicContact CG1-CG1 4.36Å; I142-V162 HydrophobicContact CG2-CG1 4.13Å; V145-V162 HydrophobicContact CG1-CG2 4.4Å; V145-V162 HydrophobicContact CG2-CG1 4.48Å; V162-F164 HydrophobicContact CG1-CE1 4.02Å; V162-F164 HydrophobicContact CG1-CE2 3.96Å; V162-F164 HydrophobicContact CG1-CZ 3.68Å
163V95.2Very high95.1Very high11 Ų1147.2 Ų47.27%0.06725%0.252CS..EExtended strand (participates in β ladder)trans-110.6122.2178.7-1700000107.7Y112 I142 K143 A144Y112-V163 HydrophobicContact CD1-CG2 3.37Å; Y112-V163 HydrophobicContact CE1-CG2 3.97Å; Y112-V163 HydrophobicContact CG-CG2 4.39Å; I142-V163 CarbonylContact C-O 3.55Å; K143-V163 WeakPolarHBondContact CA-O 3.42Å; K143-V163 HydrophobicContact CB-CB 4.32Å; K143-V163 HydrophobicContact CB-CG1 4.1Å; K143-V163 HydrophobicContact CD-CG1 4.29Å; K143-V163 PolarHBondContact N-O 2.76Å; A144-V163 HydrophobicContact CB-CB 4.21Å; A144-V163 HydrophobicContact CB-CG2 4.17Å; A144-V163 PolarHBondContact N-O 2.96Å; A144-V163 PolarHBondContact O-N 3.48Å
164F96.2Very high95.5Very high0 Ų044 Ų440%024%0.243CC..EExtended strand (participates in β ladder)trans-94.6158.7174.1-61.6-77.7000110.9R116 V118 F136 C139 E141 I142 V162 N166 S169 V170 A173R116-F164 WeakPolarHBondContact CB-O 3.12Å; R116-F164 PolarHBondContact O-N 3.31Å; V118-F164 HydrophobicContact CG1-CE2 4.36Å; V118-F164 HydrophobicContact CG2-CE2 3.92Å; F136-F164 HydrophobicContact CB-CE1 4.1Å; F136-F164 HydrophobicContact CB-CZ 4Å; F136-F164 AromaticContact CD1-CZ 3.96Å; F136-F164 HydrophobicContact CD1-CZ 3.96Å; F136-F164 HydrophobicContact CG-CZ 4.17Å; C139-F164 HydrophobicContact CB-CE1 3.94Å; C139-F164 HydrophobicContact CB-CZ 4.09Å; E141-F164 CarbonylContact O-C 3.59Å; E141-F164 WeakPolarHBondContact O-CA 3.35Å; I142-F164 HydrophobicContact CG1-CD1 4Å; I142-F164 HydrophobicContact CG1-CE1 3.84Å; V162-F164 HydrophobicContact CG1-CE1 4.02Å; V162-F164 HydrophobicContact CG1-CE2 3.96Å; V162-F164 HydrophobicContact CG1-CZ 3.68Å; F164-N166 VanDerWaalsContact C-N 3.34Å; F164-N166 WeakPolarHBondContact CB-O 3.3Å; F164-S169 VanDerWaalsContact CG-CB 3.43Å; F164-V170 HydrophobicContact CD2-CG2 4.19Å; F164-A173 HydrophobicContact CE2-CB 3.69Å; F164-A173 HydrophobicContact CZ-CB 3.75Å
165Q93.8Very high95.8Very high50 Ų5050.8 Ų50.823%0.23427%0.267CS..SBendtrans-70.1-35.5168.8-67.1-70.636.800111.8R116 E141 K143R116-Q165 WeakPolarHBondContact CD-O 3.38Å; R116-Q165 PolarHBondContact NH1-O 2.79Å; E141-Q165 HydrophobicContact CB-CB 4.27Å; E141-Q165 HydrophobicContact CB-CG 4.05Å; E141-Q165 HydrophobicContact CG-CG 3.89Å; E141-Q165 PolarHBondContact O-N 3.08Å; E141-Q165 PolarHBondContact OE1-NE2 3.04Å; K143-Q165 HydrophobicContact CB-CG 4.23Å
166N95.2Very high96.1Very high88 Ų8848 Ų4847%0.47125%0.252SS..SBendtrans-111.3144.3-176.1-66-40.8000112F164 S168 S169F164-N166 VanDerWaalsContact C-N 3.34Å; F164-N166 WeakPolarHBondContact CB-O 3.3Å; N166-S168 VanDerWaalsContact C-N 3.28Å; N166-S168 PolarHBondContact O-N 2.89Å; N166-S169 PolarHBondContact O-N 2.75Å
167A94.3Very high96.2Very high54 Ų5452 Ų5245%0.44627%0.268SS..SBendtrans-70.8-25.4176.500000112.6R116 S169 V170R116-A167 HydrophobicContact CG-CB 4.21Å; A167-S169 VanDerWaalsContact C-N 3.3Å; A167-S169 PolarHBondContact O-N 2.89Å; A167-V170 WeakPolarHBondContact O-CB 3.16Å; A167-V170 PolarHBondContact O-N 3.2Å
168S95.6Very high96.2Very high78 Ų7847.8 Ų47.855%0.54526%0.259SS..Hα-helixtrans-62.4-36.4176.146.30000112.2N166 V170 L171N166-S168 VanDerWaalsContact C-N 3.28Å; N166-S168 PolarHBondContact O-N 2.89Å; S168-V170 PolarHBondContact O-N 3.24Å; S168-L171 WeakPolarHBondContact O-CB 3.45Å; S168-L171 PolarHBondContact O-N 2.94Å
169S96.8Very high96.2Very high5 Ų548.6 Ų48.64%0.03526%0.263CS..Hα-helixtrans-59.7-28.2177.8-600000113.2C139 F164 N166 A167 L171 L172 A173C139-S169 WeakPolarHBondContact O-CA 3.45Å; C139-S169 WeakPolarHBondContact O-CB 3.43Å; C139-S169 PolarHBondContact O-OG 3.15Å; F164-S169 VanDerWaalsContact CG-CB 3.43Å; N166-S169 PolarHBondContact O-N 2.75Å; A167-S169 VanDerWaalsContact C-N 3.3Å; A167-S169 PolarHBondContact O-N 2.89Å; S169-L171 VanDerWaalsContact C-N 3.29Å; S169-L171 PolarHBondContact O-N 3.17Å; S169-L172 PolarHBondContact O-N 3.15Å; S169-A173 WeakPolarHBondContact O-CB 3.28Å; S169-A173 PolarHBondContact O-N 3.14Å
170V96.4Very high96.1Very high5 Ų551 Ų513%0.0328%0.275CS..Hα-helixtrans-61.3-39.3175174.40000111.3R116 V118 F164 A167 S168 L172 A173 L174R116-V170 VanDerWaalsContact C-CG2 3.46Å; V118-V170 HydrophobicContact CG1-CB 4.36Å; V118-V170 HydrophobicContact CG1-CG1 3.8Å; V118-V170 HydrophobicContact CG1-CG2 4.39Å; F164-V170 HydrophobicContact CD2-CG2 4.19Å; A167-V170 WeakPolarHBondContact O-CB 3.16Å; A167-V170 PolarHBondContact O-N 3.2Å; S168-V170 PolarHBondContact O-N 3.24Å; V170-L172 VanDerWaalsContact C-N 3.35Å; V170-A173 PolarHBondContact O-N 3.3Å; V170-L174 HydrophobicContact CG1-CD1 4.23Å; V170-L174 VanDerWaalsContact O-CG 3.23Å; V170-L174 WeakPolarHBondContact O-CG 3.47Å; V170-L174 PolarHBondContact O-N 2.75Å
171L95.9Very high96.1Very high120 Ų12051.8 Ų51.863%0.62828%0.279SS*.Hα-helixtrans-68.5-36.3178.9-66173.3000111.7S168 S169S168-L171 WeakPolarHBondContact O-CB 3.45Å; S168-L171 PolarHBondContact O-N 2.94Å; S169-L171 VanDerWaalsContact C-N 3.29Å; S169-L171 PolarHBondContact O-N 3.17Å
172L97.3Very high95.8Very high76 Ų7652.5 Ų52.540%0.39830%0.303SS..Hα-helixtrans-68.4-45.7174.8-62.3-176.5000111C139 S169 V170 L174 K175C139-L172 HydrophobicContact CB-CB 4.04Å; S169-L172 PolarHBondContact O-N 3.15Å; V170-L172 VanDerWaalsContact C-N 3.35Å; L172-L174 VanDerWaalsContact C-N 3.27Å; L172-L174 PolarHBondContact O-N 3.19Å; L172-K175 HydrophobicContact CD2-CD 4.41Å; L172-K175 VanDerWaalsContact O-CB 3.3Å; L172-K175 WeakPolarHBondContact O-CB 3.3Å; L172-K175 PolarHBondContact O-N 3.07Å
173A97.5Very high95.6Very high0 Ų064.5 Ų64.50%035%0.349CS..Hα-helixtrans-59.2-37.3176.400000112.5V118 F136 C139 F164 S169 V170 K175 L176 I188V118-A173 HydrophobicContact CG1-CB 4.06Å; V118-A173 HydrophobicContact CG2-CB 4.42Å; F136-A173 HydrophobicContact CD1-CB 3.87Å; F136-A173 HydrophobicContact CE1-CB 3.79Å; C139-A173 HydrophobicContact CB-CB 4.42Å; F164-A173 HydrophobicContact CE2-CB 3.69Å; F164-A173 HydrophobicContact CZ-CB 3.75Å; S169-A173 WeakPolarHBondContact O-CB 3.28Å; S169-A173 PolarHBondContact O-N 3.14Å; V170-A173 PolarHBondContact O-N 3.3Å; A173-K175 PolarHBondContact O-N 3.03Å; A173-L176 WeakPolarHBondContact O-CB 3.39Å; A173-L176 PolarHBondContact O-N 2.86Å; A173-L176 VanDerWaalsContact O-N 3.1Å; A173-I188 WeakPolarHBondContact O-CD1 3.4Å
174L97.1Very high95.6Very high56 Ų5668.4 Ų68.429%0.29336%0.362SS..Hα-helixtrans-64-25.8175.5-73.2170.2000113.3V170 L172 L176 H177 I188V170-L174 HydrophobicContact CG1-CD1 4.23Å; V170-L174 VanDerWaalsContact O-CG 3.23Å; V170-L174 WeakPolarHBondContact O-CG 3.47Å; V170-L174 PolarHBondContact O-N 2.75Å; L172-L174 VanDerWaalsContact C-N 3.27Å; L172-L174 PolarHBondContact O-N 3.19Å; L174-L176 PolarHBondContact O-N 3.49Å; L174-H177 VanDerWaalsContact O-CB 3.29Å; L174-H177 WeakPolarHBondContact O-CB 3.44Å; L174-H177 PolarHBondContact O-N 2.96Å; L174-I188 HydrophobicContact CD2-CG2 4.21Å
175K97.2Very high95.7Very high164 Ų16473.7 Ų73.771%0.71339%0.387SS*.Hα-helixtrans-70.7-20.4174.9-63.8176179.6-179.10112.7L172 A173 H177L172-K175 HydrophobicContact CD2-CD 4.41Å; L172-K175 VanDerWaalsContact O-CB 3.3Å; L172-K175 WeakPolarHBondContact O-CB 3.3Å; L172-K175 PolarHBondContact O-N 3.07Å; A173-K175 PolarHBondContact O-N 3.03Å; K175-H177 PolarHBondContact O-N 3.42Å
176L96.9Very high95.8Very high56 Ų5671.3 Ų71.329%0.29338%0.376SS..THydrogen-bonded Turntrans-81.76.3174.1-58.9179.5000112.5F136 C139 A173 L174 G178 S179 I188F136-L176 HydrophobicContact CD1-CD1 4.06Å; F136-L176 HydrophobicContact CE1-CD1 4.09Å; C139-L176 VanDerWaalsContact SG-CD1 3.55Å; A173-L176 WeakPolarHBondContact O-CB 3.39Å; A173-L176 PolarHBondContact O-N 2.86Å; A173-L176 VanDerWaalsContact O-N 3.1Å; L174-L176 PolarHBondContact O-N 3.49Å; L176-G178 PolarHBondContact O-N 2.96Å; L176-S179 VanDerWaalsContact O-CB 3.22Å; L176-S179 WeakPolarHBondContact O-CB 3.35Å; L176-S179 PolarHBondContact O-N 3.48Å; L176-S179 PolarHBondContact O-OG 3.22Å; L176-I188 VanDerWaalsContact C-CD1 3.45Å; L176-I188 HydrophobicContact CB-CD1 3.64Å; L176-I188 WeakPolarHBondContact O-CD1 3.41Å
177H96.8Very high96Very high90 Ų9074 Ų7442%0.41738%0.379SS..THydrogen-bonded Turntrans-59.7126.8176.2-175.499.7000110.2L174 K175 I188 F189L174-H177 VanDerWaalsContact O-CB 3.29Å; L174-H177 WeakPolarHBondContact O-CB 3.44Å; L174-H177 PolarHBondContact O-N 2.96Å; K175-H177 PolarHBondContact O-N 3.42Å; H177-I188 HydrophobicContact CB-CB 4.36Å; H177-I188 PolarHBondContact ND1-N 3.06Å; H177-I188 PolarHBondContact ND1-O 3Å; H177-F189 AromaticContact CE1-CE1 3.74Å; H177-F189 AromaticContact CE1-CZ 3.69Å
178G96.4Very high96.1Very high30 Ų3071.5 Ų71.531%0.30936%0.358SS..THydrogen-bonded Turntrans86.52.7-175.200000114.3L176 I186L176-G178 PolarHBondContact O-N 2.96Å; G178-I186 WeakPolarHBondContact CA-O 3.39Å; G178-I186 PolarHBondContact N-O 3.46Å
179S96.8Very high96.1Very high26 Ų2672.7 Ų72.718%0.18235%0.354CS..  trans-62.9154.9172.467.40000111.4H135 L176 E185 I186H135-S179 PolarHBondContact CE1-OG 3.28Å; H135-S179 PolarHBondContact NE2-OG 3.36Å; L176-S179 VanDerWaalsContact O-CB 3.22Å; L176-S179 WeakPolarHBondContact O-CB 3.35Å; L176-S179 PolarHBondContact O-N 3.48Å; L176-S179 PolarHBondContact O-OG 3.22Å; S179-E185 CarbonylContact O-C 3.44Å; S179-E185 WeakPolarHBondContact O-CA 3.33Å; S179-I186 PolarHBondContact O-N 3.38Å; S179-I186 VanDerWaalsContact OG-CD1 3.25Å; S179-I186 WeakPolarHBondContact OG-CD1 3.43Å; S179-I186 VanDerWaalsContact OG-CG1 3.25Å; S179-I186 WeakPolarHBondContact OG-CG1 3.36Å
180Q95.3Very high96Very high106 Ų10678.4 Ų78.450%0.49538%0.378SS..EExtended strand (participates in β ladder)trans-84.5136.3-179.9-65.5-68.1-17.400111.1R184 E185Q180-R184 PolarHBondContact OE1-O 3.14Å; Q180-E185 PolarHBondContact NE2-OE1 3.09Å
181M94.5Very high95.7Very high17 Ų1779.6 Ų79.68%0.08438%0.384CS..EExtended strand (participates in β ladder)trans-132.6101.5167.6-170.2163.4-79.300108.4L123 P124 V127 L132 H135 R183 R184 I186L123-M181 HydrophobicContact CD2-SD 3.62Å; P124-M181 HydrophobicContact CG-CG 4.21Å; P124-M181 VanDerWaalsContact CG-O 3.25Å; P124-M181 WeakPolarHBondContact CG-O 3.43Å; V127-M181 HydrophobicContact CG2-CG 4.47Å; V127-M181 HydrophobicContact CG2-SD 3.61Å; L132-M181 HydrophobicContact CD2-CE 3.87Å; L132-M181 HydrophobicContact CD2-SD 3.85Å; H135-M181 HydrophobicContact CB-CE 3.59Å; M181-R183 PolarHBondContact O-N 3.46Å; M181-R184 PolarHBondContact N-O 3.1Å; M181-R184 PolarHBondContact O-N 2.95Å; M181-I186 HydrophobicContact CB-CG2 3.44Å; M181-I186 VanDerWaalsContact CB-CG2 3.44Å; M181-I186 HydrophobicContact CE-CD1 4.4Å; M181-I186 HydrophobicContact CG-CG2 4.39Å; M181-I186 HydrophobicContact SD-CG2 4.18Å
182G90.5Very high94.9Very high71 Ų7179.9 Ų79.973%0.73238%0.382SS*.THydrogen-bonded Turntrans65.1-124-165.900000110.8
183R92.6Very high93.5Very high251 Ų25177.2 Ų77.295%0.94737%0.373SS*.THydrogen-bonded Turntrans-9917.8178.9-57.8-176.3-173.4176.91.7113.5M181M181-R183 PolarHBondContact O-N 3.46Å
184R95.2Very high91.8Very high93 Ų9380.8 Ų80.835%0.35140%0.395SS..EExtended strand (participates in β ladder)trans-130138.7-172.8-58.3179.274.692.7-2.3110.4N122 Q180 M181N122-R184 PolarHBondContact O-NE 2.95Å; N122-R184 PolarHBondContact OD1-NH2 2.6Å; Q180-R184 PolarHBondContact OE1-O 3.14Å; M181-R184 PolarHBondContact N-O 3.1Å; M181-R184 PolarHBondContact O-N 2.95Å
185E96.9Very high89.6Confident112 Ų11281.8 Ų81.852%0.52341%0.411SS..EExtended strand (participates in β ladder)trans-82.4120.1170.6-70.5175.1-174.100110.6N122 S179 Q180N122-E185 WeakPolarHBondContact CB-O 3.29Å; N122-E185 PolarHBondContact ND2-O 3.32Å; S179-E185 CarbonylContact O-C 3.44Å; S179-E185 WeakPolarHBondContact O-CA 3.33Å; Q180-E185 PolarHBondContact NE2-OE1 3.09Å
186I97.8Very high87.6Confident0 Ų080 Ų800%041%0.41CS..  trans-79.5145.2-178.768.6175.4000110.8V120 L123 H135 F136 G178 S179 M181 I188V120-I186 HydrophobicContact CG1-CB 4.23Å; V120-I186 HydrophobicContact CG1-CD1 4.12Å; L123-I186 HydrophobicContact CD2-CB 4.39Å; L123-I186 HydrophobicContact CD2-CG2 3.72Å; H135-I186 WeakPolarHBondContact NE2-CD1 3.26Å; F136-I186 HydrophobicContact CZ-CD1 4.31Å; G178-I186 WeakPolarHBondContact CA-O 3.39Å; G178-I186 PolarHBondContact N-O 3.46Å; S179-I186 PolarHBondContact O-N 3.38Å; S179-I186 VanDerWaalsContact OG-CD1 3.25Å; S179-I186 WeakPolarHBondContact OG-CD1 3.43Å; S179-I186 VanDerWaalsContact OG-CG1 3.25Å; S179-I186 WeakPolarHBondContact OG-CG1 3.36Å; M181-I186 HydrophobicContact CB-CG2 3.44Å; M181-I186 VanDerWaalsContact CB-CG2 3.44Å; M181-I186 HydrophobicContact CE-CD1 4.4Å; M181-I186 HydrophobicContact CG-CG2 4.39Å; M181-I186 HydrophobicContact SD-CG2 4.18Å; I186-I188 HydrophobicContact CD1-CD1 3.99Å; I186-I188 HydrophobicContact CD1-CG1 4.18Å; I186-I188 HydrophobicContact CG1-CD1 4.32Å; I186-I188 HydrophobicContact CG1-CG1 4.21Å
187R97.6Very high85.8Confident144 Ų14480.9 Ų80.954%0.54341%0.412SS..EExtended strand (participates in β ladder)trans-108.5115.7178.2-63-178.6-174.7175.30.5109.7V120 G121 N122 F189V120-R187 CarbonylContact C-O 3.59Å; V120-R187 WeakPolarHBondContact CA-O 3.45Å; G121-R187 PolarHBondContact N-O 2.61Å; G121-R187 PolarHBondContact O-N 3.29Å; N122-R187 HydrophobicContact CB-CG 4.18Å; R187-F189 HydrophobicContact CB-CD2 4.45Å; R187-F189 HydrophobicContact CB-CE2 3.72Å; R187-F189 HydrophobicContact CB-CZ 4.23Å
188I97.4Very high84Confident1 Ų182.8 Ų82.81%0.00542%0.415CS..EExtended strand (participates in β ladder)trans-107.8126.8-177.6-50.8173.5000109.4V118 F119 V120 F136 A173 L174 L176 H177 I186V118-I188 HydrophobicContact CB-CG2 3.96Å; V118-I188 HydrophobicContact CG1-CG2 4.22Å; V118-I188 HydrophobicContact CG2-CG2 4.3Å; F119-I188 WeakPolarHBondContact O-CA 3.27Å; V120-I188 HydrophobicContact CG1-CG1 4.34Å; F136-I188 HydrophobicContact CE1-CD1 3.66Å; F136-I188 HydrophobicContact CZ-CD1 3.55Å; F136-I188 HydrophobicContact CZ-CG1 4.16Å; A173-I188 WeakPolarHBondContact O-CD1 3.4Å; L174-I188 HydrophobicContact CD2-CG2 4.21Å; L176-I188 VanDerWaalsContact C-CD1 3.45Å; L176-I188 HydrophobicContact CB-CD1 3.64Å; L176-I188 WeakPolarHBondContact O-CD1 3.41Å; H177-I188 HydrophobicContact CB-CB 4.36Å; H177-I188 PolarHBondContact ND1-N 3.06Å; H177-I188 PolarHBondContact ND1-O 3Å; I186-I188 HydrophobicContact CD1-CD1 3.99Å; I186-I188 HydrophobicContact CD1-CG1 4.18Å; I186-I188 HydrophobicContact CG1-CD1 4.32Å; I186-I188 HydrophobicContact CG1-CG1 4.21Å
189F95.8Very high82.3Confident103 Ų10383.1 Ų83.145%0.45242%0.415SS..EExtended strand (participates in β ladder)trans-133152.3178.9-61.3-69.4000110.9V118 F119 H177 R187V118-F189 WeakPolarHBondContact CA-O 3.49Å; F119-F189 HydrophobicContact CD1-CB 4.38Å; F119-F189 AromaticContact CD1-CD2 3.9Å; F119-F189 HydrophobicContact CD1-CD2 3.9Å; F119-F189 HydrophobicContact CE1-CD2 4.21Å; F119-F189 PolarHBondContact N-O 2.84Å; F119-F189 PolarHBondContact O-N 3.23Å; H177-F189 AromaticContact CE1-CE1 3.74Å; H177-F189 AromaticContact CE1-CZ 3.69Å; R187-F189 HydrophobicContact CB-CD2 4.45Å; R187-F189 HydrophobicContact CB-CE2 3.72Å; R187-F189 HydrophobicContact CB-CZ 4.23Å
190K94Very high80.7Confident125 Ų12584.2 Ų84.254%0.54342%0.423SS..EExtended strand (participates in β ladder)trans-68.3140.8168.4-170173.6-176.11730109.1E192K190-E192 PolarHBondContact O-N 2.85Å; K190-E192 VanDerWaalsContact O-N 3.12Å
191I90.4Very high79.1Confident30 Ų3082.8 Ų82.815%0.15443%0.425CS..  trans-73110.5174.2-55.6-176.5000108.7K114 S117 F119 Y161K114-I191 HydrophobicContact CB-CB 4.39Å; K114-I191 HydrophobicContact CB-CG2 4.47Å; K114-I191 HydrophobicContact CD-CG2 4.47Å; K114-I191 HydrophobicContact CG-CB 4.37Å; K114-I191 HydrophobicContact CG-CG2 3.93Å; S117-I191 VanDerWaalsContact CB-CD1 3.41Å; F119-I191 HydrophobicContact CB-CG1 4.25Å; Y161-I191 HydrophobicContact CD1-CD1 3.5Å; Y161-I191 HydrophobicContact CD1-CG1 4.29Å; Y161-I191 HydrophobicContact CE1-CD1 3.95Å; Y161-I191 HydrophobicContact CE1-CG1 4.49Å
192E80Confident77.8Confident127 Ų12785.6 Ų85.659%0.59345%0.446SS*.PPolyproline II helixtrans-77.7151.6172.7-54.7-158.9126.400110.8K190 R198K190-E192 PolarHBondContact O-N 2.85Å; K190-E192 VanDerWaalsContact O-N 3.12Å; E192-R198 IonicContact OE1-NH2 2.87Å; E192-R198 PolarHBondContact OE1-NH2 3.25Å; E192-R198 IonicContact OE2-CZ 3.25Å; E192-R198 VanDerWaalsContact OE2-CZ 3.25Å; E192-R198 IonicContact OE2-NH1 3.08Å; E192-R198 PolarHBondContact OE2-NH1 3.5Å; E192-R198 VanDerWaalsContact OE2-NH1 3.08Å; E192-R198 IonicContact OE2-NH2 2.68Å; E192-R198 PolarHBondContact OE2-NH2 3.28Å
193G65.9Low76.8Confident19 Ų1990.4 Ų90.420%0.19644%0.442CS..PPolyproline II helixtrans-65.1146.2168.300000110.4K114K114-G193 VanDerWaalsContact NZ-CA 3.34Å
194T62.6Low75.6Confident76 Ų7683.6 Ų83.647%0.46643%0.425SS..PPolyproline II helixtrans-57.3158.2171.363.90000109.7D196 E197 R198T194-D196 PolarHBondContact O-N 3.5Å; T194-D196 VanDerWaalsContact O-N 3.11Å; T194-E197 PolarHBondContact N-OE2 2.63Å; T194-E197 PolarHBondContact O-N 3.26Å; T194-E197 WeakPolarHBondContact OG1-CG 3.47Å; T194-E197 PolarHBondContact OG1-N 2.85Å; T194-E197 PolarHBondContact OG1-OE2 3.32Å; T194-R198 PolarHBondContact O-N 3.05Å
195A50.3Low74.4Confident77 Ų7787.8 Ų87.864%0.63644%0.44SS*.Hα-helixtrans-50.6-37.8176.600000111.8R198 A199A195-R198 PolarHBondContact O-N 2.95Å; A195-A199 WeakPolarHBondContact O-CB 3.46Å; A195-A199 PolarHBondContact O-N 2.86Å
196D55.7Low73.1Confident127 Ų12785.1 Ų85.168%0.67944%0.438SS*.Hα-helixtrans-64.5-39176.1-59.8-43.6000113.5T194 A199 S200T194-D196 PolarHBondContact O-N 3.5Å; T194-D196 VanDerWaalsContact O-N 3.11Å; D196-A199 PolarHBondContact O-N 3.33Å; D196-S200 WeakPolarHBondContact O-CB 3.5Å; D196-S200 PolarHBondContact O-N 3.45Å; D196-S200 PolarHBondContact O-OG 2.93Å
197E60.2Low71.5Confident74 Ų7492 Ų9235%0.34647%0.468SS..Hα-helixtrans-73.9-32.9177.7-68.4175109.800111.9K114 T194 S200 S201K114-E197 VanDerWaalsContact CE-OE2 3.25Å; K114-E197 WeakPolarHBondContact CE-OE2 3.46Å; K114-E197 IonicContact NZ-OE1 3.67Å; K114-E197 PolarHBondContact NZ-OE1 3.23Å; K114-E197 IonicContact NZ-OE2 2.61Å; K114-E197 PolarHBondContact NZ-OE2 3.46Å; T194-E197 PolarHBondContact N-OE2 2.63Å; T194-E197 PolarHBondContact O-N 3.26Å; T194-E197 WeakPolarHBondContact OG1-CG 3.47Å; T194-E197 PolarHBondContact OG1-N 2.85Å; T194-E197 PolarHBondContact OG1-OE2 3.32Å; E197-S200 VanDerWaalsContact CA-OG 3.31Å; E197-S200 WeakPolarHBondContact CA-OG 3.45Å; E197-S200 PolarHBondContact O-OG 3.34Å; E197-S200 VanDerWaalsContact O-OG 3.05Å; E197-S201 VanDerWaalsContact O-CB 3.3Å; E197-S201 WeakPolarHBondContact O-CB 3.24Å; E197-S201 PolarHBondContact O-N 2.8Å; E197-S201 PolarHBondContact O-OG 3.39Å
198R58.7Low69.8Low129 Ų12989 Ų8949%0.48747%0.469SS..Hα-helixtrans-66.7-44.9171-71.6175.4160.9168.8-8.9111E192 T194 A195 S201 S202E192-R198 IonicContact OE1-NH2 2.87Å; E192-R198 PolarHBondContact OE1-NH2 3.25Å; E192-R198 IonicContact OE2-CZ 3.25Å; E192-R198 VanDerWaalsContact OE2-CZ 3.25Å; E192-R198 IonicContact OE2-NH1 3.08Å; E192-R198 PolarHBondContact OE2-NH1 3.5Å; E192-R198 VanDerWaalsContact OE2-NH1 3.08Å; E192-R198 IonicContact OE2-NH2 2.68Å; E192-R198 PolarHBondContact OE2-NH2 3.28Å; T194-R198 PolarHBondContact O-N 3.05Å; A195-R198 PolarHBondContact O-N 2.95Å; R198-S201 PolarHBondContact O-N 3.45Å; R198-S202 PolarHBondContact O-N 3.13Å
199A59.8Low68.4Low37 Ų3795.2 Ų95.231%0.30650%0.501SS..Hα-helixtrans-65.8-40.6179.300000112.7A195 D196 S202 R203A195-A199 WeakPolarHBondContact O-CB 3.46Å; A195-A199 PolarHBondContact O-N 2.86Å; D196-A199 PolarHBondContact O-N 3.33Å; A199-S202 PolarHBondContact O-N 3.49Å; A199-R203 PolarHBondContact O-N 2.81Å
200S62.5Low66.7Low49 Ų4994 Ų9434%0.34351%0.51SS..Hα-helixtrans-67.8-39174.653.10000112.4D196 E197 R203 N204D196-S200 WeakPolarHBondContact O-CB 3.5Å; D196-S200 PolarHBondContact O-N 3.45Å; D196-S200 PolarHBondContact O-OG 2.93Å; E197-S200 VanDerWaalsContact CA-OG 3.31Å; E197-S200 WeakPolarHBondContact CA-OG 3.45Å; E197-S200 PolarHBondContact O-OG 3.34Å; E197-S200 VanDerWaalsContact O-OG 3.05Å; S200-R203 PolarHBondContact O-N 2.7Å; S200-N204 WeakPolarHBondContact O-CB 3.43Å; S200-N204 PolarHBondContact O-N 3.14Å
201S62.5Low64.9Low76 Ų7696 Ų9653%0.53152%0.518SS..Hα-helixtrans-64.5-41174.4-59.10000112.1E197 R198 N204 R205E197-S201 VanDerWaalsContact O-CB 3.3Å; E197-S201 WeakPolarHBondContact O-CB 3.24Å; E197-S201 PolarHBondContact O-N 2.8Å; E197-S201 PolarHBondContact O-OG 3.39Å; R198-S201 PolarHBondContact O-N 3.45Å; S201-N204 PolarHBondContact O-N 2.86Å; S201-R205 WeakPolarHBondContact O-CB 3.21Å; S201-R205 PolarHBondContact O-N 2.97Å
202S67.3Low62.9Low77 Ų7799.6 Ų99.654%0.53854%0.543SS..Hα-helixtrans-64.6-45175.3123.60000111.6R198 A199 N204 R205 A206R198-S202 PolarHBondContact O-N 3.13Å; A199-S202 PolarHBondContact O-N 3.49Å; S202-N204 VanDerWaalsContact C-N 3.35Å; S202-N204 PolarHBondContact O-N 2.97Å; S202-R205 PolarHBondContact O-N 3.27Å; S202-A206 WeakPolarHBondContact O-CB 3.29Å; S202-A206 PolarHBondContact O-N 3.08Å
203R69Low61.7Low171 Ų17199.2 Ų99.265%0.64556%0.555SS**Hα-helixtrans-60-41.6175.4-86.6-174.5-106.4168.4-6.6112.6A199 S200 A206 K207A199-R203 PolarHBondContact O-N 2.81Å; S200-R203 PolarHBondContact O-N 2.7Å; R203-A206 PolarHBondContact O-N 2.77Å; R203-K207 WeakPolarHBondContact O-CG 3.45Å; R203-K207 PolarHBondContact O-N 3.05Å
204N68.9Low61Low108 Ų108104.6 Ų104.658%0.57858%0.584SS**Hα-helixtrans-67.7-38.2177.5-76-12000111.9S200 S201 S202 K207 S208S200-N204 WeakPolarHBondContact O-CB 3.43Å; S200-N204 PolarHBondContact O-N 3.14Å; S201-N204 PolarHBondContact O-N 2.86Å; S202-N204 VanDerWaalsContact C-N 3.35Å; S202-N204 PolarHBondContact O-N 2.97Å; N204-K207 PolarHBondContact O-N 3.41Å; N204-S208 PolarHBondContact O-N 3.22Å; N204-S208 PolarHBondContact O-OG 2.89Å
205R68.2Low60.3Low181 Ų181103.8 Ų103.868%0.68359%0.591SS**Hα-helixtrans-67.3-40.4175.7-163.4175.4-174.8-174.10.5112.1S201 S202 K207 S208 I209S201-R205 WeakPolarHBondContact O-CB 3.21Å; S201-R205 PolarHBondContact O-N 2.97Å; S202-R205 PolarHBondContact O-N 3.27Å; R205-K207 VanDerWaalsContact C-N 3.34Å; R205-K207 PolarHBondContact O-N 3.46Å; R205-S208 WeakPolarHBondContact CA-OG 3.45Å; R205-S208 PolarHBondContact O-N 3.25Å; R205-S208 PolarHBondContact O-OG 3.07Å; R205-I209 HydrophobicContact CG-CD1 4.16Å; R205-I209 VanDerWaalsContact O-CG1 3.3Å; R205-I209 WeakPolarHBondContact O-CG1 3.45Å; R205-I209 PolarHBondContact O-N 3.47Å
206A70.8Confident60.3Low56 Ų56110.5 Ų110.546%0.46361%0.605SS.*Hα-helixtrans-61.3-42.3172.800000111.4S202 R203 S208 I209 A210S202-A206 WeakPolarHBondContact O-CB 3.29Å; S202-A206 PolarHBondContact O-N 3.08Å; R203-A206 PolarHBondContact O-N 2.77Å; A206-S208 PolarHBondContact O-N 2.98Å; A206-I209 PolarHBondContact O-N 2.84Å; A206-A210 VanDerWaalsContact O-CB 3.26Å; A206-A210 WeakPolarHBondContact O-CB 3.49Å; A206-A210 PolarHBondContact O-N 2.95Å
207K64.1Low59.7Low146 Ų146116.2 Ų116.264%0.63562%0.618SS**Hα-helixtrans-65.5-33.7175-77.8-177.3179.5-178.20113.8R203 N204 R205 K211R203-K207 WeakPolarHBondContact O-CG 3.45Å; R203-K207 PolarHBondContact O-N 3.05Å; N204-K207 PolarHBondContact O-N 3.41Å; R205-K207 VanDerWaalsContact C-N 3.34Å; R205-K207 PolarHBondContact O-N 3.46Å; K207-K211 PolarHBondContact O-N 3.37Å
208S62Low58.9Low80 Ų80115.7 Ų115.756%0.55963%0.632SS**Hα-helixtrans-73.5-33.1176.558.40000112.5N204 R205 A206N204-S208 PolarHBondContact O-N 3.22Å; N204-S208 PolarHBondContact O-OG 2.89Å; R205-S208 WeakPolarHBondContact CA-OG 3.45Å; R205-S208 PolarHBondContact O-N 3.25Å; R205-S208 PolarHBondContact O-OG 3.07Å; A206-S208 PolarHBondContact O-N 2.98Å
209I67.2Low58.3Low132 Ų132119.9 Ų119.968%0.67765%0.654SS**Hα-helixtrans-74.9-35.8176.1-65.6165.3000110.8R205 A206 K211R205-I209 HydrophobicContact CG-CD1 4.16Å; R205-I209 VanDerWaalsContact O-CG1 3.3Å; R205-I209 WeakPolarHBondContact O-CG1 3.45Å; R205-I209 PolarHBondContact O-N 3.47Å; A206-I209 PolarHBondContact O-N 2.84Å; I209-K211 VanDerWaalsContact C-N 3.29Å; I209-K211 PolarHBondContact O-N 3.27Å
210A60.7Low57.9Low78 Ų78125.9 Ų125.965%0.64568%0.679SS**SBendtrans-79-1.8-179.100000114.9A206 P212A206-A210 VanDerWaalsContact O-CB 3.26Å; A206-A210 WeakPolarHBondContact O-CB 3.49Å; A206-A210 PolarHBondContact O-N 2.95Å; A210-P212 VanDerWaalsContact O-CD 3.31Å; A210-P212 WeakPolarHBondContact O-CD 3.44Å
211K55.4Low57Low165 Ų165128.2 Ų128.272%0.71770%0.695SS**SBendtrans-85.7109.8171.1-79.8-176.7180-175.10108.8K207 I209 S213K207-K211 PolarHBondContact O-N 3.37Å; I209-K211 VanDerWaalsContact C-N 3.29Å; I209-K211 PolarHBondContact O-N 3.27Å; K211-S213 PolarHBondContact O-N 3.06Å
212P49.9Very low56.4Low106 Ų106135.4 Ų135.469%0.68871%0.711SS**  trans-64.6132.7170.61.713000107.5A210 V214A210-P212 VanDerWaalsContact O-CD 3.31Å; A210-P212 WeakPolarHBondContact O-CD 3.44Å; P212-V214 PolarHBondContact O-N 2.96Å
213S53.2Low55.6Low120 Ų120141.4 Ų141.484%0.83973%0.727SS**  trans-63.584.5165.555.20000108.5K211 G215K211-S213 PolarHBondContact O-N 3.06Å; S213-G215 PolarHBondContact O-N 2.99Å
214V52.8Low54.2Low131 Ų131136.9 Ų136.979%0.79473%0.734SS**  trans-69.990.3166.3-178.90000105.9P212 K216P212-V214 PolarHBondContact O-N 2.96Å; V214-K216 PolarHBondContact O-N 3.3Å
215G46.7Very low53.4Low60 Ų60141.7 Ų141.762%0.61975%0.75SS**  trans-52.7121.3174.200000109.3S213 R217S213-G215 PolarHBondContact O-N 2.99Å; G215-R217 PolarHBondContact O-N 2.95Å
216K50.5Low52.3Low217 Ų217136.5 Ų136.594%0.94375%0.752SS**  trans-58.988.4162.5-88.4176.1170.9175.80107.8V214 G218V214-K216 PolarHBondContact O-N 3.3Å; K216-G218 PolarHBondContact O-N 2.8Å
217R43.5Very low51.3Low247 Ų247146.1 Ų146.193%0.93278%0.777SS**  trans-71.8111.9168-120.2177.1173.2177.9-2.6107.2G215G215-R217 PolarHBondContact O-N 2.95Å
218G43.6Very low50.3Low63 Ų63148.9 Ų148.965%0.64979%0.789SS**  trans-56.2141-178.200000112.6K216 I220K216-G218 PolarHBondContact O-N 2.8Å; G218-I220 PolarHBondContact O-N 3.31Å
219K45.5Very low49.4Very low218 Ų218157.3 Ų157.395%0.94881%0.809SS**  trans-62.1100.4167.6-80.4176.3171.9176.50108.8
220I52.3Low48.5Very low162 Ų162154.5 Ų154.583%0.83181%0.805SS**  trans-96.2102163.6-62.8174.3000107.2G218G218-I220 PolarHBondContact O-N 3.31Å
221S42.2Very low48Very low98 Ų98157.8 Ų157.869%0.68582%0.817SS**  trans-67.9133.1162.4134.60000108.5
222R51.7Low47.7Very low228 Ų228153.4 Ų153.486%0.8682%0.819SS**  trans179.7121.1137-97.9160-175.7-174.62.2113
223K49.1Very low48Very low202 Ų202157.3 Ų157.388%0.87883%0.825SS**  trans59.6104.6143.1-85.8176.2169.3173.60119.2
224G39.3Very low48.1Very low76 Ų76161.2 Ų161.278%0.78482%0.822SS**  trans-70.1138.7155.300000112.9
225K52.4Low48.1Very low210 Ų210161.8 Ų161.891%0.91381%0.813SS**  trans-163.1101.8154.9-91.6-178.6178.8-176.90102.1
226G45.2Very low48.5Very low72 Ų72167.1 Ų167.174%0.74282%0.82SS**  84.890.362.300000109
227R49.3Very low48.6Very low257 Ų257165.5 Ų165.597%0.9781%0.812SS**  trans171127.4132.1-97.6173.9146.8169.8-7113
228F44.3Very low48.9Very low205 Ų205158.5 Ų158.590%0.89980%0.802SS**  trans-50.8147.7170.9-94.7-116000113.9
229R41.8Very low49.4Very low256 Ų256162.2 Ų162.297%0.96681%0.805SS**  trans-142.6117.6149.3-119.4-178.6160.2-173.8-5.9109.2
230A49.9Very low49.6Very low74 Ų74160.1 Ų160.161%0.61280%0.801SS**  trans-110.1132.2172.200000109.8
231T50Low49.5Very low146 Ų146165.5 Ų165.590%0.89682%0.818SS**  trans65127.7146.359.80000120.5
232G48.6Very low49.8Very low73 Ų73168.9 Ų168.975%0.75383%0.825SS**  trans159.274.8148.600000117.7
233K55.8Low49.7Very low188 Ų188165.8 Ų165.882%0.81782%0.823SS**  trans46122.6136.4-82173.5173.9170.60121.4
234R54.7Low49.8Very low203 Ų203163.8 Ų163.877%0.76682%0.82SS**  69.2148125.8-85.1179.4156.9-171.6-4.8117.6
235K54.7Low50.4Low142 Ų142168.9 Ų168.962%0.61782%0.822SS**  cis-172.7140-8.3-135.5-178-176.4-175.80104.3
236K54Low50.3Low172 Ų172166.4 Ų166.475%0.74882%0.816SS**  trans61.9148148.3-77.3-177.1175.6-169.80116.2
237K53.7Low50.6Low183 Ų183172.7 Ų172.780%0.79682%0.821SS**  cis-174.8154.331.6-136.4175.2-176.8-168.40108.4
238S49.3Very low50.7Low101 Ų101166.6 Ų166.671%0.70681%0.811SS**  trans69.9113.2145.2-158.80000118.1
239I53.2Low51.2Low141 Ų141163.7 Ų163.772%0.72380%0.804SS**  74.4120.864.5-69.6176.8000114.2
240M50.6Low52Low173 Ų173156 Ų15685%0.85279%0.79SS**  trans69130.4160.4-70.7160.798.800116.1
241K49.1Very low52.1Low276 Ų276163.5 Ų163.5100%1.281%0.807SS**  cis-132.5019.1-88.7169.5170.7175.50110.2

Retrieved 241 of 241 residues in 94.6 ms (Link to these results)

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