A0A077Z3U6_TRITR Loading...

Spermine synth domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z3U6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 221 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
1M38.8Very low77.2Confident235 Ų235112.7 Ų112.7100%1.15856%0.564SS**  01080-71.7-177.5-165.900106.1R3M1-R3 PolarHBondContact O-N 2.63Å
2D52.8Low77.3Confident170 Ų170107 Ų10791%0.90953%0.533SS*.  trans-62.4111.6168.5-72.3-25.3000106.7C4D2-C4 PolarHBondContact O-N 2.83Å
3R59.2Low77.3Confident200 Ų200107.4 Ų107.476%0.75555%0.553SS**  trans-60.7125.9174.1-69.7-172.4-174.2-160.13106.3M1 T5M1-R3 PolarHBondContact O-N 2.63Å; R3-T5 PolarHBondContact O-N 2.77Å; R3-T5 PolarHBondContact O-OG1 2.93Å
4C69.3Low77Confident127 Ų127109.7 Ų109.786%0.85857%0.567SS**  trans-53111.3171.7-170.70000107.2D2D2-C4 PolarHBondContact O-N 2.83Å
5T82.4Confident76.2Confident65 Ų65108.5 Ų108.540%0.39955%0.552SS.*  trans-87.8117.6-176.8-60.50000107.1R3 D24R3-T5 PolarHBondContact O-N 2.77Å; R3-T5 PolarHBondContact O-OG1 2.93Å; T5-D24 HydrophobicContact CG2-CB 3.73Å; T5-D24 VanDerWaalsContact CG2-CG 3.42Å
6T91.7Very high75.5Confident92 Ų92114.4 Ų114.456%0.56458%0.576SS**  trans-73.3132.4174.6-53.80000108.8L25T6-L25 HydrophobicContact CG2-CD1 3.82Å; T6-L25 HydrophobicContact CG2-CG 4.47Å; T6-L25 PolarHBondContact O-N 3.36Å
7K92.5Very high75.2Confident102 Ų102111.2 Ų111.244%0.44358%0.579SS.*EExtended strand (participates in β ladder)trans-113.3147.9178.1-65.1-172.4168.8-170.10111.1E22 A23 D24K7-E22 HydrophobicContact CB-CG 4.43Å; K7-E22 HydrophobicContact CD-CG 3.98Å; K7-E22 VanDerWaalsContact CD-OE1 3.29Å; K7-E22 WeakPolarHBondContact CD-OE1 2.83Å; K7-E22 WeakPolarHBondContact CE-OE1 3.48Å; K7-E22 IonicContact NZ-OE1 3.51Å; K7-E22 PolarHBondContact NZ-OE1 2.99Å; K7-A23 CarbonylContact C-O 3.57Å; K7-A23 WeakPolarHBondContact CA-O 3.46Å; K7-D24 VanDerWaalsContact CE-OD1 3.25Å; K7-D24 WeakPolarHBondContact CE-OD1 3.45Å
8R93.7Very high75.1Confident45 Ų45106.9 Ų106.917%0.1756%0.559CS.*EExtended strand (participates in β ladder)trans-110.2130.8168-174.9171-73.2147.35.4109.1E22 A23 L25 D30 W99 F100R8-E22 WeakPolarHBondContact O-CA 3.25Å; R8-A23 PolarHBondContact N-O 3.3Å; R8-A23 PolarHBondContact O-N 2.87Å; R8-L25 HydrophobicContact CB-CD2 3.98Å; R8-L25 HydrophobicContact CB-CG 4.43Å; R8-D30 VanDerWaalsContact CZ-O 3.3Å; R8-D30 PolarHBondContact NH1-O 2.89Å; R8-D30 PolarHBondContact NH2-O 3.4Å; R8-D30 IonicContact NH2-OD1 3.65Å; R8-W99 WeakPolarHBondContact CD-O 3.45Å; R8-W99 PolarHBondContact NH1-O 2.73Å; R8-F100 HydrophobicContact CB-CE1 4.44Å; R8-F100 HydrophobicContact CG-CE1 4.17Å; R8-F100 HydrophobicContact CG-CE2 4.38Å; R8-F100 HydrophobicContact CG-CZ 3.92Å
9C92.6Very high75.5Confident47 Ų47102.9 Ų102.932%0.31854%0.539SS..EExtended strand (participates in β ladder)trans-125.3130.2-175-53.90000110.5T19 S21C9-T19 HydrophobicContact CB-CG2 3.99Å; C9-S21 CarbonylContact C-O 3.57Å; C9-S21 VanDerWaalsContact CA-O 3.24Å; C9-S21 WeakPolarHBondContact CA-O 3.24Å
10L89.2Confident75.9Confident28 Ų28100.3 Ų100.315%0.14752%0.524CS..EExtended strand (participates in β ladder)trans-96.4132.6164-179.959.4000107.6T19 Q20 S21 I92 V95 F100L10-T19 CarbonylContact O-C 3.53Å; L10-T19 WeakPolarHBondContact O-CG2 3.45Å; L10-Q20 HydrophobicContact CD2-CG 4.41Å; L10-Q20 HydrophobicContact CG-CB 4.32Å; L10-Q20 PolarHBondContact O-N 3.22Å; L10-S21 PolarHBondContact N-O 3.46Å; L10-S21 PolarHBondContact O-N 2.98Å; L10-S21 VanDerWaalsContact O-N 3.1Å; L10-I92 HydrophobicContact CD2-CD1 4.15Å; L10-V95 HydrophobicContact CD1-CG1 4.07Å; L10-V95 HydrophobicContact CD2-CG1 4.28Å; L10-F100 HydrophobicContact CB-CE2 3.98Å; L10-F100 HydrophobicContact CB-CZ 3.77Å
11R86.4Confident76.5Confident129 Ų12995.8 Ų95.849%0.48750%0.501SS..EExtended strand (participates in β ladder)trans-126.1146.3-176.5-61.6-179.5-175.5-85.7-0.7109.6S13 T19R11-S13 PolarHBondContact O-N 2.91Å; R11-T19 PolarHBondContact NH1-OG1 3.21Å; R11-T19 VanDerWaalsContact NH1-OG1 3.11Å
12F78.7Confident78.9Confident44 Ų4486.3 Ų86.319%0.19345%0.454CS..  trans-65.4133.4172.1-65.8-72.3000109.8N14 V18 Q20F12-N14 PolarHBondContact O-N 3.26Å; F12-V18 HydrophobicContact CD2-CB 4.18Å; F12-V18 HydrophobicContact CD2-CG1 3.7Å; F12-V18 HydrophobicContact CE2-CG1 3.99Å; F12-V18 PolarHBondContact N-O 2.98Å; F12-Q20 HydrophobicContact CD1-CB 4.37Å; F12-Q20 HydrophobicContact CD2-CB 4.01Å; F12-Q20 HydrophobicContact CE1-CB 4.08Å; F12-Q20 HydrophobicContact CE1-CG 3.83Å; F12-Q20 HydrophobicContact CE2-CB 3.69Å; F12-Q20 HydrophobicContact CE2-CG 4.1Å; F12-Q20 HydrophobicContact CG-CB 4.35Å; F12-Q20 HydrophobicContact CZ-CB 3.74Å; F12-Q20 HydrophobicContact CZ-CG 3.61Å
13S76.8Confident80.8Confident112 Ų11278.5 Ų78.578%0.78341%0.413SS*.THydrogen-bonded Turntrans-63.1-32.3178.454.90000112.7R11R11-S13 PolarHBondContact O-N 2.91Å
14N73.5Confident82.5Confident140 Ų14070 Ų7075%0.74938%0.382SS*.THydrogen-bonded Turntrans-92.8-9.8-168.9-59.1-4.8000113.4F12F12-N14 PolarHBondContact O-N 3.26Å
15R65Low83.6Confident92 Ų9264.8 Ų64.835%0.34735%0.346SS..SBendtrans-130.3106.4174.6-93.8-162.9-171.9-167.1-8.1111.7G17 V18 D139R15-G17 PolarHBondContact O-N 3.09Å; R15-V18 HydrophobicContact CB-CB 4.18Å; R15-V18 HydrophobicContact CB-CG2 3.86Å; R15-V18 HydrophobicContact CG-CG2 4.47Å; R15-V18 PolarHBondContact O-N 3.18Å; R15-D139 HydrophobicContact CB-CB 4.3Å; R15-D139 VanDerWaalsContact CD-O 3.22Å; R15-D139 WeakPolarHBondContact CD-O 3.36Å; R15-D139 HydrophobicContact CG-CB 3.88Å; R15-D139 PolarHBondContact NE-O 3.48Å; R15-D139 IonicContact NE-OD2 3.69Å; R15-D139 PolarHBondContact NE-OD2 3.31Å; R15-D139 PolarHBondContact NH1-O 3.25Å
16Q64.6Low84.1Confident202 Ų20265.5 Ų65.594%0.94434%0.343SS*.THydrogen-bonded Turntrans-61133.8171.8-67.2-166.9-700110.7V18Q16-V18 PolarHBondContact O-N 2.85Å
17G70.6Confident84.1Confident60 Ų6066.1 Ų66.162%0.61935%0.349SS*.THydrogen-bonded Turntrans88.5-12.3177.200000115.8R15R15-G17 PolarHBondContact O-N 3.09Å
18V74.1Confident84.1Confident35 Ų3565.9 Ų65.921%0.21238%0.375CS..  trans-89.9117.8176.1-173.10000110.1F12 R15 Q16F12-V18 HydrophobicContact CD2-CB 4.18Å; F12-V18 HydrophobicContact CD2-CG1 3.7Å; F12-V18 HydrophobicContact CE2-CG1 3.99Å; F12-V18 PolarHBondContact N-O 2.98Å; R15-V18 HydrophobicContact CB-CB 4.18Å; R15-V18 HydrophobicContact CB-CG2 3.86Å; R15-V18 HydrophobicContact CG-CG2 4.47Å; R15-V18 PolarHBondContact O-N 3.18Å; Q16-V18 PolarHBondContact O-N 2.85Å
19T82.4Confident83.9Confident30 Ų3065.8 Ų65.818%0.18438%0.381CS..EExtended strand (participates in β ladder)trans-89.5121.8175.2-56.10000109.1C9 L10 R11 S21 E22 F39C9-T19 HydrophobicContact CB-CG2 3.99Å; L10-T19 CarbonylContact O-C 3.53Å; L10-T19 WeakPolarHBondContact O-CG2 3.45Å; R11-T19 PolarHBondContact NH1-OG1 3.21Å; R11-T19 VanDerWaalsContact NH1-OG1 3.11Å; T19-S21 WeakPolarHBondContact CG2-O 3.46Å; T19-E22 HydrophobicContact CG2-CB 4.08Å; T19-F39 HydrophobicContact CG2-CZ 4.12Å
20Q83.6Confident83.8Confident50 Ų5069.5 Ų69.523%0.23440%0.398CS..EExtended strand (participates in β ladder)trans-80.1-39.8174.7179.1-178.9-8.300111.4L10 F12L10-Q20 HydrophobicContact CD2-CG 4.41Å; L10-Q20 HydrophobicContact CG-CB 4.32Å; L10-Q20 PolarHBondContact O-N 3.22Å; F12-Q20 HydrophobicContact CD1-CB 4.37Å; F12-Q20 HydrophobicContact CD2-CB 4.01Å; F12-Q20 HydrophobicContact CE1-CB 4.08Å; F12-Q20 HydrophobicContact CE1-CG 3.83Å; F12-Q20 HydrophobicContact CE2-CB 3.69Å; F12-Q20 HydrophobicContact CE2-CG 4.1Å; F12-Q20 HydrophobicContact CG-CB 4.35Å; F12-Q20 HydrophobicContact CZ-CB 3.74Å; F12-Q20 HydrophobicContact CZ-CG 3.61Å
21S87.6Confident84.1Confident7 Ų772.7 Ų72.75%0.04941%0.413CS..EExtended strand (participates in β ladder)trans-144.8143.5177-55.70000111C9 L10 T19 G67C9-S21 CarbonylContact C-O 3.57Å; C9-S21 VanDerWaalsContact CA-O 3.24Å; C9-S21 WeakPolarHBondContact CA-O 3.24Å; L10-S21 PolarHBondContact N-O 3.46Å; L10-S21 PolarHBondContact O-N 2.98Å; L10-S21 VanDerWaalsContact O-N 3.1Å; T19-S21 WeakPolarHBondContact CG2-O 3.46Å; S21-G67 PolarHBondContact OG-N 3.49Å
22E91Very high84.4Confident36 Ų3667 Ų6717%0.16839%0.392CS..EExtended strand (participates in β ladder)trans-139.4135.5179.6-174.3168.9108.500108.3K7 R8 T19 S38 F39K7-E22 HydrophobicContact CB-CG 4.43Å; K7-E22 HydrophobicContact CD-CG 3.98Å; K7-E22 VanDerWaalsContact CD-OE1 3.29Å; K7-E22 WeakPolarHBondContact CD-OE1 2.83Å; K7-E22 WeakPolarHBondContact CE-OE1 3.48Å; K7-E22 IonicContact NZ-OE1 3.51Å; K7-E22 PolarHBondContact NZ-OE1 2.99Å; R8-E22 WeakPolarHBondContact O-CA 3.25Å; T19-E22 HydrophobicContact CG2-CB 4.08Å; E22-S38 WeakPolarHBondContact O-CB 3.18Å; E22-S38 PolarHBondContact O-OG 3.38Å; E22-F39 HydrophobicContact CB-CE2 3.88Å; E22-F39 HydrophobicContact CB-CZ 3.74Å; E22-F39 VanDerWaalsContact N-CE2 3.34Å
23A92.6Very high85.1Confident5 Ų566 Ų664%0.04139%0.388CS..EExtended strand (participates in β ladder)trans-144.3143.717500000111K7 R8 V32 F100K7-A23 CarbonylContact C-O 3.57Å; K7-A23 WeakPolarHBondContact CA-O 3.46Å; R8-A23 PolarHBondContact N-O 3.3Å; R8-A23 PolarHBondContact O-N 2.87Å; A23-V32 HydrophobicContact CB-CB 4.38Å; A23-V32 HydrophobicContact CB-CG1 3.56Å; A23-V32 HydrophobicContact CB-CG2 3.9Å; A23-F100 HydrophobicContact CB-CD1 4.06Å; A23-F100 HydrophobicContact CB-CE1 4.25Å
24D93.4Very high85.8Confident22 Ų2262 Ų6212%0.11836%0.361CS..EExtended strand (participates in β ladder)trans-70.9143.2169.6-69.9-5.3000109.7T5 K7 D33 K36T5-D24 HydrophobicContact CG2-CB 3.73Å; T5-D24 VanDerWaalsContact CG2-CG 3.42Å; K7-D24 VanDerWaalsContact CE-OD1 3.25Å; K7-D24 WeakPolarHBondContact CE-OD1 3.45Å; D24-D33 HydrophobicContact CB-CB 4.37Å; D24-D33 PolarHBondContact O-N 3.35Å; D24-K36 WeakPolarHBondContact OD2-CD 3.41Å; D24-K36 IonicContact OD2-NZ 3.44Å
25L93.6Very high86.7Confident17 Ų1758.4 Ų58.49%0.08934%0.344CS..BIsolated β-bridgetrans-91.9147169.1-59.6-175000110.5T6 R8 E31 V32T6-L25 HydrophobicContact CG2-CD1 3.82Å; T6-L25 HydrophobicContact CG2-CG 4.47Å; T6-L25 PolarHBondContact O-N 3.36Å; R8-L25 HydrophobicContact CB-CD2 3.98Å; R8-L25 HydrophobicContact CB-CG 4.43Å; L25-E31 WeakPolarHBondContact CA-O 3.36Å; L25-V32 HydrophobicContact CD2-CG2 3.95Å
26K93Very high87.9Confident80 Ų8058.5 Ų58.535%0.34835%0.347SS..PPolyproline II helixtrans-61.8144171.5-65.8179.5-168.7167.10109.7G28 S29 E31 V32 D33K26-G28 PolarHBondContact O-N 2.72Å; K26-G28 VanDerWaalsContact O-N 3.15Å; K26-S29 PolarHBondContact O-N 3.38Å; K26-E31 HydrophobicContact CD-CB 4.09Å; K26-E31 PolarHBondContact N-O 3.32Å; K26-E31 IonicContact NZ-OE2 2.72Å; K26-E31 PolarHBondContact NZ-OE2 2.64Å; K26-V32 WeakPolarHBondContact CE-O 3.09Å; K26-D33 HydrophobicContact CG-CB 4.04Å
27P91.9Very high89.1Confident105 Ų10550.5 Ų50.568%0.68231%0.311SS*.THydrogen-bonded Turntrans-56.1122.3-178.2-2634.3000112.6S29P27-S29 PolarHBondContact O-N 2.72Å
28G91Very high89.8Confident97 Ų9749.3 Ų49.3100%129%0.292SS*.THydrogen-bonded Turntrans69.917178.400000114.9K26K26-G28 PolarHBondContact O-N 2.72Å; K26-G28 VanDerWaalsContact O-N 3.15Å
29S90.8Very high90.1Very high43 Ų4349 Ų4930%0.30129%0.289SS..SBendtrans-131.1154178.3177.80000110.8K26 P27 E31K26-S29 PolarHBondContact O-N 3.38Å; P27-S29 PolarHBondContact O-N 2.72Å; S29-E31 WeakPolarHBondContact OG-CB 3.32Å; S29-E31 WeakPolarHBondContact OG-CG 3.36Å; S29-E31 PolarHBondContact OG-N 3.45Å; S29-E31 VanDerWaalsContact OG-N 3.09Å
30D90.8Very high89.8Confident126 Ų12650.6 Ų50.667%0.67431%0.305SS*.SBendtrans-84.31170.8-76.8-43.1000112.8R8R8-D30 VanDerWaalsContact CZ-O 3.3Å; R8-D30 PolarHBondContact NH1-O 2.89Å; R8-D30 PolarHBondContact NH2-O 3.4Å; R8-D30 IonicContact NH2-OD1 3.65Å
31E93.5Very high89.4Confident95 Ų9549 Ų4944%0.44430%0.297SS..SBendtrans-78.5140.9176.4-68.8178.2-164.800112L25 K26 S29L25-E31 WeakPolarHBondContact CA-O 3.36Å; K26-E31 HydrophobicContact CD-CB 4.09Å; K26-E31 PolarHBondContact N-O 3.32Å; K26-E31 IonicContact NZ-OE2 2.72Å; K26-E31 PolarHBondContact NZ-OE2 2.64Å; S29-E31 WeakPolarHBondContact OG-CB 3.32Å; S29-E31 WeakPolarHBondContact OG-CG 3.36Å; S29-E31 PolarHBondContact OG-N 3.45Å; S29-E31 VanDerWaalsContact OG-N 3.09Å
32V93.9Very high89.3Confident10 Ų1049 Ų496%0.06130%0.296CS..BIsolated β-bridgetrans-69.1138.4171.1165.50000110.7A23 L25 K26 S34 F100 S101A23-V32 HydrophobicContact CB-CB 4.38Å; A23-V32 HydrophobicContact CB-CG1 3.56Å; A23-V32 HydrophobicContact CB-CG2 3.9Å; L25-V32 HydrophobicContact CD2-CG2 3.95Å; K26-V32 WeakPolarHBondContact CE-O 3.09Å; V32-S34 PolarHBondContact O-N 2.88Å; V32-F100 HydrophobicContact CG2-CB 4.35Å; V32-F100 HydrophobicContact CG2-CD1 4.25Å; V32-S101 PolarHBondContact N-OG 3.16Å
33D93.5Very high88.8Confident21 Ų2150.6 Ų50.611%0.11231%0.309CS..  trans-80.691.6168.4-174.70.2000110D24 K26 T35 K36D24-D33 HydrophobicContact CB-CB 4.37Å; D24-D33 PolarHBondContact O-N 3.35Å; K26-D33 HydrophobicContact CG-CB 4.04Å; D33-T35 PolarHBondContact O-N 3.16Å; D33-T35 VanDerWaalsContact O-N 3.07Å; D33-T35 VanDerWaalsContact OD1-CB 3.3Å; D33-T35 WeakPolarHBondContact OD1-CB 3.16Å; D33-T35 WeakPolarHBondContact OD1-CG2 2.99Å; D33-T35 PolarHBondContact OD1-N 2.72Å; D33-T35 PolarHBondContact OD1-OG1 3.24Å; D33-T35 PolarHBondContact OD2-OG1 2.56Å; D33-K36 PolarHBondContact O-N 3.01Å; D33-K36 VanDerWaalsContact OD2-CE 3.27Å; D33-K36 WeakPolarHBondContact OD2-CE 3.21Å; D33-K36 IonicContact OD2-NZ 3.68Å
34S91.9Very high88Confident29 Ų2951 Ų5120%0.20331%0.312CS..THydrogen-bonded Turntrans-69.41.2178.366.40000113.9V32 K36 Y73V32-S34 PolarHBondContact O-N 2.88Å; S34-K36 VanDerWaalsContact C-N 3.26Å; S34-Y73 WeakPolarHBondContact O-CA 3.45Å; S34-Y73 WeakPolarHBondContact O-CD2 3.3Å
35T91.5Very high87.5Confident64 Ų6450.1 Ų50.139%0.39331%0.307SS..THydrogen-bonded Turntrans-86.61.717875.70000112.9D33 Y73 H76D33-T35 PolarHBondContact O-N 3.16Å; D33-T35 VanDerWaalsContact O-N 3.07Å; D33-T35 VanDerWaalsContact OD1-CB 3.3Å; D33-T35 WeakPolarHBondContact OD1-CB 3.16Å; D33-T35 WeakPolarHBondContact OD1-CG2 2.99Å; D33-T35 PolarHBondContact OD1-N 2.72Å; D33-T35 PolarHBondContact OD1-OG1 3.24Å; D33-T35 PolarHBondContact OD2-OG1 2.56Å; T35-Y73 WeakPolarHBondContact O-CE2 3.32Å; T35-H76 WeakPolarHBondContact CG2-NE2 3.32Å
36K90.3Very high87Confident94 Ų9450.2 Ų50.241%0.40931%0.307SS..  trans-135.2153.8-176.8-60.4179.6-172.4166.80111.7D24 D33 S34D24-K36 WeakPolarHBondContact OD2-CD 3.41Å; D24-K36 IonicContact OD2-NZ 3.44Å; D33-K36 PolarHBondContact O-N 3.01Å; D33-K36 VanDerWaalsContact OD2-CE 3.27Å; D33-K36 WeakPolarHBondContact OD2-CE 3.21Å; D33-K36 IonicContact OD2-NZ 3.68Å; S34-K36 VanDerWaalsContact C-N 3.26Å
37L89.6Confident86.2Confident35 Ų3551.3 Ų51.318%0.18331%0.313CS..  trans-117.4133.3170.9-69.1168.6000108.5H42 M46 Y73L37-H42 HydrophobicContact CB-CB 4.07Å; L37-H42 HydrophobicContact CD1-CB 3.69Å; L37-H42 HydrophobicContact CD2-CB 3.79Å; L37-H42 HydrophobicContact CG-CB 4.04Å; L37-M46 HydrophobicContact CD1-CG 3.97Å; L37-Y73 HydrophobicContact CD1-CD1 3.52Å; L37-Y73 HydrophobicContact CD1-CD2 4.22Å; L37-Y73 HydrophobicContact CD1-CE1 3.68Å; L37-Y73 HydrophobicContact CD1-CE2 4.34Å; L37-Y73 HydrophobicContact CD1-CG 3.81Å; L37-Y73 HydrophobicContact CD2-CD1 4.25Å; L37-Y73 HydrophobicContact CD2-CD2 4.16Å; L37-Y73 HydrophobicContact CD2-CG 3.74Å; L37-Y73 HydrophobicContact CG-CD1 3.86Å; L37-Y73 HydrophobicContact CG-CD2 3.69Å; L37-Y73 HydrophobicContact CG-CE1 4.23Å; L37-Y73 HydrophobicContact CG-CE2 4.06Å; L37-Y73 HydrophobicContact CG-CG 3.56Å
38S84.8Confident85.2Confident34 Ų3446.3 Ų46.324%0.23828%0.281CS..SBendtrans-91.2-16.8-178.1-57.80000113.5E22E22-S38 WeakPolarHBondContact O-CB 3.18Å; E22-S38 PolarHBondContact O-OG 3.38Å
39F81.3Confident84.6Confident30 Ų3041.7 Ų41.713%0.13223%0.233CC..SBendtrans-110.2141.5179.6-61.9-74.4000113.3T19 E22 H41 H42T19-F39 HydrophobicContact CG2-CZ 4.12Å; E22-F39 HydrophobicContact CB-CE2 3.88Å; E22-F39 HydrophobicContact CB-CZ 3.74Å; E22-F39 VanDerWaalsContact N-CE2 3.34Å; F39-H41 VanDerWaalsContact C-N 3.33Å; F39-H41 WeakPolarHBondContact CB-CE1 3.4Å; F39-H41 WeakPolarHBondContact CB-ND1 3.14Å; F39-H41 AromaticContact CD1-CE1 3.89Å; F39-H41 AromaticContact CD2-CE1 3.95Å; F39-H41 AromaticContact CG-CE1 3.44Å; F39-H41 VanDerWaalsContact CG-CE1 3.44Å; F39-H41 WeakPolarHBondContact CG-CE1 3.01Å; F39-H41 PolarHBondContact O-N 3.26Å; F39-H42 AromaticContact CD2-CE1 3.69Å; F39-H42 AromaticContact CD2-ND1 3.88Å; F39-H42 PolarHBondContact O-N 3.2Å
40A75.9Confident84Confident63 Ų6344.5 Ų44.552%0.52125%0.248SC..Hα-helixtrans-64.7-35.3178.800000112.6H42 T43 A44A40-H42 VanDerWaalsContact C-N 3.29Å; A40-H42 PolarHBondContact O-N 3.38Å; A40-T43 WeakPolarHBondContact O-CB 3.47Å; A40-T43 PolarHBondContact O-N 2.78Å; A40-T43 VanDerWaalsContact O-N 3.11Å; A40-A44 PolarHBondContact O-N 2.72Å
41H76Confident82.9Confident15 Ų1542.3 Ų42.37%0.06924%0.236CC..Hα-helixtrans-64.5-30.9176.665.1-93.5000113.4F39 T43 A44 F45 D135 A171 E180 V182F39-H41 VanDerWaalsContact C-N 3.33Å; F39-H41 WeakPolarHBondContact CB-CE1 3.4Å; F39-H41 WeakPolarHBondContact CB-ND1 3.14Å; F39-H41 AromaticContact CD1-CE1 3.89Å; F39-H41 AromaticContact CD2-CE1 3.95Å; F39-H41 AromaticContact CG-CE1 3.44Å; F39-H41 VanDerWaalsContact CG-CE1 3.44Å; F39-H41 WeakPolarHBondContact CG-CE1 3.01Å; F39-H41 PolarHBondContact O-N 3.26Å; H41-T43 VanDerWaalsContact C-N 3.29Å; H41-T43 PolarHBondContact O-N 2.68Å; H41-A44 WeakPolarHBondContact O-CB 3.36Å; H41-A44 PolarHBondContact O-N 3.46Å; H41-A44 VanDerWaalsContact O-N 3.15Å; H41-F45 VanDerWaalsContact O-CD2 3.26Å; H41-F45 WeakPolarHBondContact O-CD2 3.08Å; H41-F45 PolarHBondContact O-N 2.82Å; H41-D135 IonicContact CD2-OD1 3.55Å; H41-D135 IonicContact NE2-OD1 2.64Å; H41-A171 HydrophobicContact CB-CB 3.92Å; H41-E180 IonicContact CE1-OE2 2.6Å; H41-E180 IonicContact CG-OE2 3.3Å; H41-E180 IonicContact ND1-OE1 2.64Å; H41-E180 IonicContact ND1-OE2 3.42Å; H41-E180 PolarHBondContact ND1-OE2 3.23Å; H41-V182 HydrophobicContact CB-CG2 3.72Å
42H84.8Confident81.8Confident8 Ų837.8 Ų37.84%0.03721%0.214CC..Hα-helixtrans-62.8-36.9172.3-67.5164.2000112L37 F39 A40 A44 F45 M46 L70 D135L37-H42 HydrophobicContact CB-CB 4.07Å; L37-H42 HydrophobicContact CD1-CB 3.69Å; L37-H42 HydrophobicContact CD2-CB 3.79Å; L37-H42 HydrophobicContact CG-CB 4.04Å; F39-H42 AromaticContact CD2-CE1 3.69Å; F39-H42 AromaticContact CD2-ND1 3.88Å; F39-H42 PolarHBondContact O-N 3.2Å; A40-H42 VanDerWaalsContact C-N 3.29Å; A40-H42 PolarHBondContact O-N 3.38Å; H42-A44 VanDerWaalsContact C-N 3.34Å; H42-A44 PolarHBondContact O-N 3.4Å; H42-F45 PolarHBondContact O-N 3.01Å; H42-M46 WeakPolarHBondContact O-CG 3.43Å; H42-M46 PolarHBondContact O-N 3.28Å; H42-M46 VanDerWaalsContact O-N 3.09Å; H42-L70 HydrophobicContact CB-CD1 4.16Å; H42-D135 IonicContact CD2-OD2 3.65Å; H42-D135 IonicContact NE2-OD2 2.67Å; H42-D135 PolarHBondContact NE2-OD2 3.32Å
43T81.1Confident80.4Confident70 Ų7047.2 Ų47.243%0.42925%0.249SC..Hα-helixtrans-64.1-38.4173.5-52.80000112.1A40 H41 M46 H47A40-T43 WeakPolarHBondContact O-CB 3.47Å; A40-T43 PolarHBondContact O-N 2.78Å; A40-T43 VanDerWaalsContact O-N 3.11Å; H41-T43 VanDerWaalsContact C-N 3.29Å; H41-T43 PolarHBondContact O-N 2.68Å; T43-M46 WeakPolarHBondContact O-CB 3.19Å; T43-M46 PolarHBondContact O-N 3.36Å; T43-M46 VanDerWaalsContact O-N 3.12Å; T43-H47 PolarHBondContact O-N 3.41Å
44A76.3Confident79.1Confident13 Ų1346.6 Ų46.611%0.10725%0.247CC..Hα-helixtrans-66.7-37.4176.100000112.5A40 H41 H42 M46 H47 V182A40-A44 PolarHBondContact O-N 2.72Å; H41-A44 WeakPolarHBondContact O-CB 3.36Å; H41-A44 PolarHBondContact O-N 3.46Å; H41-A44 VanDerWaalsContact O-N 3.15Å; H42-A44 VanDerWaalsContact C-N 3.34Å; H42-A44 PolarHBondContact O-N 3.4Å; A44-M46 VanDerWaalsContact C-N 3.28Å; A44-M46 PolarHBondContact O-N 3.4Å; A44-H47 WeakPolarHBondContact O-CB 3.03Å; A44-H47 PolarHBondContact O-N 3.02Å; A44-V182 HydrophobicContact CB-CB 3.88Å; A44-V182 HydrophobicContact CB-CG1 3.32Å; A44-V182 HydrophobicContact CB-CG2 4.22Å
45F81.4Confident77.8Confident3 Ų349.7 Ų49.71%0.01327%0.274CS..Hα-helixtrans-59.7-37.8168.9-76.1-61.8000111.7H41 H42 H47 S48 L49 L70 M133 I134 D135 A169H41-F45 VanDerWaalsContact O-CD2 3.26Å; H41-F45 WeakPolarHBondContact O-CD2 3.08Å; H41-F45 PolarHBondContact O-N 2.82Å; H42-F45 PolarHBondContact O-N 3.01Å; F45-H47 PolarHBondContact O-N 3.06Å; F45-S48 WeakPolarHBondContact O-CB 3.46Å; F45-S48 PolarHBondContact O-N 3.43Å; F45-S48 PolarHBondContact O-OG 3.31Å; F45-L49 PolarHBondContact O-N 2.91Å; F45-L70 HydrophobicContact CB-CD1 4.23Å; F45-L70 HydrophobicContact CB-CD2 4.05Å; F45-L70 HydrophobicContact CD2-CD2 3.81Å; F45-L70 HydrophobicContact CE2-CD2 4.44Å; F45-L70 HydrophobicContact CG-CD2 4.03Å; F45-M133 HydrophobicContact CB-CE 4.36Å; F45-M133 HydrophobicContact CB-CG 4.46Å; F45-M133 HydrophobicContact CB-SD 3.92Å; F45-M133 HydrophobicContact CD1-CB 3.59Å; F45-M133 HydrophobicContact CD1-CG 3.64Å; F45-M133 HydrophobicContact CD1-SD 4.17Å; F45-M133 HydrophobicContact CE1-CB 3.65Å; F45-M133 HydrophobicContact CE1-CG 4.22Å; F45-M133 HydrophobicContact CG-CB 4.39Å; F45-M133 HydrophobicContact CG-CG 4.34Å; F45-M133 HydrophobicContact CG-SD 4.28Å; F45-M133 WeakPolarHBondContact O-CE 3.47Å; F45-I134 WeakPolarHBondContact CZ-O 3.48Å; F45-D135 HydrophobicContact CE2-CB 3.73Å; F45-D135 HydrophobicContact CZ-CB 3.84Å; F45-A169 HydrophobicContact CD1-CB 3.54Å; F45-A169 HydrophobicContact CD2-CB 4.07Å; F45-A169 HydrophobicContact CE1-CB 3.28Å; F45-A169 HydrophobicContact CE2-CB 3.84Å; F45-A169 HydrophobicContact CG-CB 3.95Å; F45-A169 HydrophobicContact CZ-CB 3.45Å; F45-A169 VanDerWaalsContact CZ-CB 3.45Å
46M83.1Confident77Confident19 Ų1951.7 Ų51.79%0.09429%0.287CS..Hα-helixtrans-61.4-33.1176-66.2-54-57.400113.3L37 H42 T43 A44 S48 L49 V50 L70 Y73 I74L37-M46 HydrophobicContact CD1-CG 3.97Å; H42-M46 WeakPolarHBondContact O-CG 3.43Å; H42-M46 PolarHBondContact O-N 3.28Å; H42-M46 VanDerWaalsContact O-N 3.09Å; T43-M46 WeakPolarHBondContact O-CB 3.19Å; T43-M46 PolarHBondContact O-N 3.36Å; T43-M46 VanDerWaalsContact O-N 3.12Å; A44-M46 VanDerWaalsContact C-N 3.28Å; A44-M46 PolarHBondContact O-N 3.4Å; M46-S48 VanDerWaalsContact C-N 3.25Å; M46-S48 PolarHBondContact O-N 3.13Å; M46-L49 HydrophobicContact CE-CD2 3.97Å; M46-L49 PolarHBondContact O-N 3.01Å; M46-V50 WeakPolarHBondContact O-CG2 3.33Å; M46-V50 PolarHBondContact O-N 3.08Å; M46-L70 HydrophobicContact SD-CD1 4.22Å; M46-Y73 HydrophobicContact CE-CD1 4.16Å; M46-Y73 HydrophobicContact CE-CE1 3.92Å; M46-Y73 HydrophobicContact CG-CD1 4.22Å; M46-Y73 HydrophobicContact CG-CE1 3.92Å; M46-Y73 HydrophobicContact SD-CD1 3.74Å; M46-Y73 HydrophobicContact SD-CE1 3.88Å; M46-I74 HydrophobicContact CE-CG1 4.08Å; M46-I74 HydrophobicContact SD-CD1 4.14Å; M46-I74 HydrophobicContact SD-CG1 3.48Å; M46-I74 WeakPolarHBondContact SD-CG1 3.47Å
47H76.3Confident76.5Confident104 Ų10452.6 Ų52.648%0.48130%0.296SS..Hα-helixtrans-63.4-31.5175.1-64.5153.9000112.5T43 A44 F45 V50 I51 M184T43-H47 PolarHBondContact O-N 3.41Å; A44-H47 WeakPolarHBondContact O-CB 3.03Å; A44-H47 PolarHBondContact O-N 3.02Å; F45-H47 PolarHBondContact O-N 3.06Å; H47-V50 PolarHBondContact O-N 3.26Å; H47-I51 WeakPolarHBondContact O-CD1 3.43Å; H47-I51 VanDerWaalsContact O-CG1 3.24Å; H47-I51 WeakPolarHBondContact O-CG1 3.33Å; H47-I51 PolarHBondContact O-N 3.19Å; H47-I51 VanDerWaalsContact O-N 3.09Å; H47-M184 HydrophobicContact CB-CE 3.48Å; H47-M184 VanDerWaalsContact CB-CE 3.48Å; H47-M184 HydrophobicContact CB-SD 3.77Å
48S72.2Confident76.5Confident0 Ų053.5 Ų53.50%030%0.297CS..Hα-helixtrans-66.9-40.9176.969.80000112.6F45 M46 V50 I51 S52 C131 M133 T167F45-S48 WeakPolarHBondContact O-CB 3.46Å; F45-S48 PolarHBondContact O-N 3.43Å; F45-S48 PolarHBondContact O-OG 3.31Å; M46-S48 VanDerWaalsContact C-N 3.25Å; M46-S48 PolarHBondContact O-N 3.13Å; S48-V50 VanDerWaalsContact C-N 3.32Å; S48-V50 PolarHBondContact O-N 3.35Å; S48-I51 PolarHBondContact O-N 3.49Å; S48-S52 PolarHBondContact O-N 3.43Å; S48-C131 PolarHBondContact OG-SG 3.12Å; S48-M133 WeakPolarHBondContact OG-CE 3.46Å; S48-T167 WeakPolarHBondContact CB-OG1 3.48Å
49L77.6Confident76.7Confident0 Ų053.8 Ų53.80%029%0.293CS..Hα-helixtrans-61.9-42176.918057.7000111.3F45 M46 I51 S52 I60 I74 H78 V81 M133F45-L49 PolarHBondContact O-N 2.91Å; M46-L49 HydrophobicContact CE-CD2 3.97Å; M46-L49 PolarHBondContact O-N 3.01Å; L49-I51 VanDerWaalsContact C-N 3.32Å; L49-I51 PolarHBondContact O-N 3.16Å; L49-S52 PolarHBondContact O-N 3.5Å; L49-S52 PolarHBondContact O-OG 2.89Å; L49-I60 HydrophobicContact CD1-CG2 3.86Å; L49-I74 HydrophobicContact CD2-CG1 4.36Å; L49-I74 HydrophobicContact CD2-CG2 3.83Å; L49-H78 HydrophobicContact CD2-CB 4.44Å; L49-H78 WeakPolarHBondContact CD2-CD2 3.46Å; L49-V81 HydrophobicContact CD1-CG2 4.36Å; L49-M133 HydrophobicContact CB-CE 4.03Å
50V78.1Confident77.2Confident101 Ų10152.3 Ų52.361%0.61229%0.286SS*.Hα-helixtrans-65.5-36.3177.4174.90000111.8M46 H47 S48 S52M46-V50 WeakPolarHBondContact O-CG2 3.33Å; M46-V50 PolarHBondContact O-N 3.08Å; H47-V50 PolarHBondContact O-N 3.26Å; S48-V50 VanDerWaalsContact C-N 3.32Å; S48-V50 PolarHBondContact O-N 3.35Å; V50-S52 VanDerWaalsContact C-N 3.35Å
51I68.7Low78Confident80 Ų8049.3 Ų49.341%0.4126%0.262SS..Hα-helixtrans-72.8-28.4178-68.9166.6000111.7H47 S48 L49 R53 V165 M184H47-I51 WeakPolarHBondContact O-CD1 3.43Å; H47-I51 VanDerWaalsContact O-CG1 3.24Å; H47-I51 WeakPolarHBondContact O-CG1 3.33Å; H47-I51 PolarHBondContact O-N 3.19Å; H47-I51 VanDerWaalsContact O-N 3.09Å; S48-I51 PolarHBondContact O-N 3.49Å; L49-I51 VanDerWaalsContact C-N 3.32Å; L49-I51 PolarHBondContact O-N 3.16Å; I51-R53 WeakPolarHBondContact O-CG 3.39Å; I51-R53 PolarHBondContact O-N 3.37Å; I51-R53 VanDerWaalsContact O-N 3.07Å; I51-V165 HydrophobicContact CG2-CB 4.16Å; I51-V165 HydrophobicContact CG2-CG1 4.05Å; I51-V165 HydrophobicContact CG2-CG2 3.89Å; I51-M184 HydrophobicContact CD1-CE 3.93Å
52S70.1Confident78.8Confident0 Ų048.6 Ų48.60%026%0.258CS..  trans-61.4111.5175.877.80000110.2S48 L49 V50 A54 D130S48-S52 PolarHBondContact O-N 3.43Å; L49-S52 PolarHBondContact O-N 3.5Å; L49-S52 PolarHBondContact O-OG 2.89Å; V50-S52 VanDerWaalsContact C-N 3.35Å; S52-A54 VanDerWaalsContact C-N 3.26Å; S52-A54 PolarHBondContact O-N 3.29Å; S52-D130 WeakPolarHBondContact CB-O 3.34Å
53R64.4Low79.2Confident208 Ų20848.4 Ų48.479%0.78526%0.257SS*.  trans-82.67.7-167.2-70.7-167.7176.4-171-2.6114.7I51 A55 Y164I51-R53 WeakPolarHBondContact O-CG 3.39Å; I51-R53 PolarHBondContact O-N 3.37Å; I51-R53 VanDerWaalsContact O-N 3.07Å; R53-A55 PolarHBondContact O-N 2.94Å; R53-Y164 HydrophobicContact CB-CD1 4.35Å; R53-Y164 HydrophobicContact CB-CE1 4.29Å
54A65Low79.8Confident9 Ų945.5 Ų45.57%0.07424%0.241CC..  trans-61.4126.3178.400000110.2S52 R58 D130S52-A54 VanDerWaalsContact C-N 3.26Å; S52-A54 PolarHBondContact O-N 3.29Å; A54-R58 HydrophobicContact CB-CG 3.75Å; A54-R58 PolarHBondContact O-NE 3.11Å; A54-R58 PolarHBondContact O-NH2 3.15Å; A54-D130 HydrophobicContact CB-CB 4.22Å; A54-D130 WeakPolarHBondContact CB-OD1 3.24Å
55A64.5Low80.6Confident93 Ų9345.3 Ų45.377%0.76924%0.239SC*.SBendtrans-78.1-28.2-174.200000112.3R53R53-A55 PolarHBondContact O-N 2.94Å
56T75.5Confident81.1Confident107 Ų10745.6 Ų45.666%0.65624%0.243SC*.SBendtrans-150.5155.5-177.456.90000111.1R58T56-R58 VanDerWaalsContact C-N 3.3Å; T56-R58 PolarHBondContact O-N 3.47Å
57N80.8Confident81.6Confident113 Ų11344.7 Ų44.760%0.60424%0.238SC*.SBendtrans53.539.9174.3-71.9-33.6000115.1R59N57-R59 PolarHBondContact O-N 2.74Å
58R87.7Confident82.5Confident53 Ų5339.8 Ų39.820%0.222%0.216CC..  trans-52.3139.5178.2-70.1-176.7-168.2162.56.1111.1A54 T56 V81 N82 D130A54-R58 HydrophobicContact CB-CG 3.75Å; A54-R58 PolarHBondContact O-NE 3.11Å; A54-R58 PolarHBondContact O-NH2 3.15Å; T56-R58 VanDerWaalsContact C-N 3.3Å; T56-R58 PolarHBondContact O-N 3.47Å; R58-V81 HydrophobicContact CB-CG1 4.34Å; R58-V81 HydrophobicContact CB-CG2 3.99Å; R58-N82 PolarHBondContact O-N 3.19Å; R58-N82 PolarHBondContact O-ND2 3.44Å; R58-D130 WeakPolarHBondContact CA-OD2 3.44Å
59R90.6Very high83.6Confident40 Ų4040.4 Ų40.415%0.15122%0.22CC..EExtended strand (participates in β ladder)trans-124.9121.9176.2-169.7172.3175.6-115.6-2.1110N57 N82 E127 R128 F129 D130N57-R59 PolarHBondContact O-N 2.74Å; R59-N82 CarbonylContact C-O 3.57Å; R59-N82 VanDerWaalsContact CA-O 3.25Å; R59-N82 WeakPolarHBondContact CA-O 3.47Å; R59-N82 HydrophobicContact CB-CB 4.46Å; R59-N82 HydrophobicContact CG-CB 4.24Å; R59-E127 IonicContact CZ-OE2 3.54Å; R59-E127 IonicContact NH1-OE2 3.64Å; R59-E127 PolarHBondContact NH1-OE2 3.26Å; R59-E127 IonicContact NH2-OE2 3.66Å; R59-E127 PolarHBondContact NH2-OE2 3.38Å; R59-R128 WeakPolarHBondContact CD-O 3.25Å; R59-R128 PolarHBondContact NH1-O 3.21Å; R59-F129 HydrophobicContact CG-CD1 3.76Å; R59-F129 HydrophobicContact CG-CE1 4.08Å; R59-F129 VanDerWaalsContact CZ-CZ 3.42Å; R59-F129 VanDerWaalsContact NH1-CZ 3.26Å; R59-F129 VanDerWaalsContact NH2-CZ 3.31Å; R59-F129 CarbonylContact O-C 3.48Å; R59-F129 WeakPolarHBondContact O-CA 3.46Å; R59-D130 PolarHBondContact N-OD2 3.02Å; R59-D130 PolarHBondContact O-N 3.41Å
60I90.6Very high84.3Confident0 Ų040.5 Ų40.50%022%0.221CC..EExtended strand (participates in β ladder)trans-117.4144.9-179.871173.2000111.2L49 I62 I74 V81 N82 I83 V84 C131L49-I60 HydrophobicContact CD1-CG2 3.86Å; I60-I62 HydrophobicContact CD1-CD1 3.95Å; I60-I62 HydrophobicContact CD1-CG1 4.11Å; I60-I62 HydrophobicContact CG1-CG1 4.45Å; I60-I74 HydrophobicContact CD1-CD1 3.76Å; I60-I74 HydrophobicContact CD1-CG2 3.92Å; I60-V81 HydrophobicContact CB-CG1 4.37Å; I60-V81 HydrophobicContact CD1-CG1 3.95Å; I60-V81 HydrophobicContact CG1-CG1 3.82Å; I60-V81 HydrophobicContact CG2-CG1 3.78Å; I60-N82 PolarHBondContact N-O 3.19Å; I60-I83 HydrophobicContact CD1-CB 4.36Å; I60-I83 HydrophobicContact CD1-CD1 4.32Å; I60-I83 HydrophobicContact CD1-CG1 3.83Å; I60-I83 HydrophobicContact CD1-CG2 4.05Å; I60-I83 HydrophobicContact CG1-CB 4.03Å; I60-I83 HydrophobicContact CG1-CG1 3.85Å; I60-I83 HydrophobicContact CG1-CG2 3.91Å; I60-V84 PolarHBondContact O-N 3.34Å; I60-C131 VanDerWaalsContact CA-O 3.31Å; I60-C131 WeakPolarHBondContact CA-O 3.47Å; I60-C131 HydrophobicContact CB-CB 4.33Å; I60-C131 HydrophobicContact CG2-CB 3.78Å
61L93.1Very high85.2Confident0 Ų035.8 Ų35.80%019%0.192CC..EExtended strand (participates in β ladder)trans-105.6127.1167.3178.859.1000108V63 V84 V86 Y118 I119 F129 C131 I132 M133L61-V63 HydrophobicContact CD1-CG2 4.42Å; L61-V63 HydrophobicContact CD2-CG2 4.21Å; L61-V63 HydrophobicContact CG-CG2 4.02Å; L61-V84 CarbonylContact C-O 3.48Å; L61-V84 WeakPolarHBondContact CA-O 3.32Å; L61-V84 HydrophobicContact CD1-CB 4.1Å; L61-V84 HydrophobicContact CD1-CG1 4.21Å; L61-V86 HydrophobicContact CD1-CG2 3.65Å; L61-Y118 HydrophobicContact CD1-CD1 3.85Å; L61-Y118 HydrophobicContact CD1-CE1 3.53Å; L61-Y118 HydrophobicContact CD2-CD1 4.09Å; L61-Y118 HydrophobicContact CD2-CE1 4.07Å; L61-Y118 HydrophobicContact CG-CE1 4.47Å; L61-I119 HydrophobicContact CD2-CG1 4Å; L61-F129 HydrophobicContact CB-CD1 3.66Å; L61-F129 HydrophobicContact CB-CD2 4.34Å; L61-F129 HydrophobicContact CB-CE1 3.66Å; L61-F129 HydrophobicContact CB-CE2 4.35Å; L61-F129 HydrophobicContact CB-CG 4Å; L61-F129 HydrophobicContact CB-CZ 4.01Å; L61-F129 HydrophobicContact CD1-CE1 4.39Å; L61-F129 HydrophobicContact CD1-CZ 4.28Å; L61-F129 HydrophobicContact CD2-CE2 4.26Å; L61-F129 HydrophobicContact CD2-CZ 4.34Å; L61-F129 HydrophobicContact CG-CE1 4.5Å; L61-F129 HydrophobicContact CG-CZ 4.45Å; L61-C131 PolarHBondContact N-O 3.09Å; L61-I132 HydrophobicContact CB-CB 4.46Å; L61-I132 HydrophobicContact CB-CG1 4.07Å; L61-I132 HydrophobicContact CB-CG2 4.33Å; L61-I132 HydrophobicContact CD2-CD1 4.42Å; L61-I132 HydrophobicContact CD2-CG1 4.3Å; L61-I132 HydrophobicContact CD2-CG2 4.08Å; L61-I132 HydrophobicContact CG-CG2 4.32Å; L61-I132 CarbonylContact O-C 3.56Å; L61-I132 WeakPolarHBondContact O-CA 3.41Å; L61-M133 PolarHBondContact O-N 3.49Å
62I93.5Very high86.5Confident0 Ų033.3 Ų33.30%018%0.179CC..EExtended strand (participates in β ladder)trans-115123.8168.9-56.3177.4000106.4I60 G64 L70 P71 I74 I83 V84 A85 V86 M133I60-I62 HydrophobicContact CD1-CD1 3.95Å; I60-I62 HydrophobicContact CD1-CG1 4.11Å; I60-I62 HydrophobicContact CG1-CG1 4.45Å; I62-G64 WeakPolarHBondContact CG2-O 3.3Å; I62-L70 HydrophobicContact CD1-CG 4.43Å; I62-L70 HydrophobicContact CG2-CD2 4.43Å; I62-P71 HydrophobicContact CD1-CB 4Å; I62-I74 HydrophobicContact CD1-CD1 3.84Å; I62-I83 HydrophobicContact CD1-CG2 3.76Å; I62-I83 HydrophobicContact CG1-CG2 4.2Å; I62-V84 PolarHBondContact N-O 2.95Å; I62-A85 CarbonylContact O-C 3.4Å; I62-A85 WeakPolarHBondContact O-CA 3.23Å; I62-V86 PolarHBondContact O-N 3.13Å; I62-M133 CarbonylContact C-O 3.57Å; I62-M133 WeakPolarHBondContact CA-O 3.26Å; I62-M133 HydrophobicContact CD1-SD 4.31Å; I62-M133 HydrophobicContact CG1-CB 4.3Å; I62-M133 HydrophobicContact CG1-SD 4.05Å
63V93.3Very high87.7Confident3 Ų336 Ų362%0.01819%0.19CC..EExtended strand (participates in β ladder)trans-107121.8173.2-169.70000107.8L61 V86 I119 M133 D135 V136 F148L61-V63 HydrophobicContact CD1-CG2 4.42Å; L61-V63 HydrophobicContact CD2-CG2 4.21Å; L61-V63 HydrophobicContact CG-CG2 4.02Å; V63-V86 HydrophobicContact CG1-CB 4.46Å; V63-I119 HydrophobicContact CG2-CD1 4.33Å; V63-M133 PolarHBondContact N-O 3.25Å; V63-D135 CarbonylContact O-C 3.56Å; V63-D135 WeakPolarHBondContact O-CA 3.18Å; V63-D135 PolarHBondContact O-N 3.47Å; V63-V136 HydrophobicContact CB-CG2 4.18Å; V63-V136 HydrophobicContact CG1-CG2 3.65Å; V63-V136 WeakPolarHBondContact O-CG2 3.37Å; V63-F148 HydrophobicContact CG1-CE1 3.73Å; V63-F148 HydrophobicContact CG1-CZ 3.8Å
64G92.6Very high89.1Confident9 Ų926 Ų269%0.09315%0.152CC..  trans96.2116.3-16600000110.6I62 V86I62-G64 WeakPolarHBondContact CG2-O 3.3Å; G64-V86 PolarHBondContact N-O 3.33Å
65V94.6Very high90.5Very high9 Ų927.9 Ų27.96%0.05516%0.157CC..  trans-102.4-47.2176.6175.50000110.2G67 G68 A85 E87 I93 F102V65-G67 PolarHBondContact O-N 3.31Å; V65-G68 VanDerWaalsContact O-CA 3.31Å; V65-G68 WeakPolarHBondContact O-CA 3.4Å; V65-G68 PolarHBondContact O-N 3.13Å; V65-A85 HydrophobicContact CG2-CB 3.71Å; V65-E87 HydrophobicContact CB-CB 3.95Å; V65-E87 HydrophobicContact CB-CG 4.25Å; V65-E87 HydrophobicContact CG2-CB 3.74Å; V65-E87 PolarHBondContact N-OE2 2.97Å; V65-I93 HydrophobicContact CB-CD1 3.77Å; V65-I93 HydrophobicContact CG1-CD1 3.7Å; V65-I93 HydrophobicContact CG2-CD1 3.86Å; V65-F102 HydrophobicContact CG1-CE2 4.21Å; V65-F102 HydrophobicContact CG1-CZ 4.5Å
66G91.8Very high92Very high9 Ų928.4 Ų28.49%0.09314%0.144CC..THydrogen-bonded Turntrans54.8-131.2-171.200000111.2G68 E87 I92 A96G66-G68 PolarHBondContact O-N 3.29Å; G66-E87 PolarHBondContact N-OE2 2.96Å; G66-I92 WeakPolarHBondContact O-CG2 3.44Å; G66-A96 WeakPolarHBondContact O-CB 3.38Å
67G93Very high92.8Very high0 Ų025.8 Ų25.80%013%0.127CC..THydrogen-bonded Turntrans-70.8-3.2171.300000114.3S21 V65 C69 F100S21-G67 PolarHBondContact OG-N 3.49Å; V65-G67 PolarHBondContact O-N 3.31Å; G67-C69 VanDerWaalsContact C-N 3.33Å; G67-C69 PolarHBondContact O-N 3Å; G67-F100 WeakPolarHBondContact O-CB 3.34Å
68G95.1Very high93.3Very high1 Ų122.7 Ų22.71%0.0111%0.109CC..SBendtrans75.118.5176.800000114.7V65 G66 P71 M72V65-G68 VanDerWaalsContact O-CA 3.31Å; V65-G68 WeakPolarHBondContact O-CA 3.4Å; V65-G68 PolarHBondContact O-N 3.13Å; G66-G68 PolarHBondContact O-N 3.29Å; G68-P71 WeakPolarHBondContact O-CD 3.24Å; G68-P71 WeakPolarHBondContact O-CG 3.48Å; G68-M72 WeakPolarHBondContact O-CB 3.39Å; G68-M72 VanDerWaalsContact O-CG 3.24Å; G68-M72 WeakPolarHBondContact O-CG 3.44Å; G68-M72 PolarHBondContact O-N 3.05Å; G68-M72 VanDerWaalsContact O-N 3.07Å
69C94.7Very high93.6Very high14 Ų1423.6 Ų23.610%0.09512%0.122CC..Hα-helixtrans-64.4-46.7-176.2-50.80000112.1G67 M72 Y73G67-C69 VanDerWaalsContact C-N 3.33Å; G67-C69 PolarHBondContact O-N 3Å; C69-M72 PolarHBondContact O-N 2.87Å; C69-Y73 VanDerWaalsContact O-CB 3.25Å; C69-Y73 WeakPolarHBondContact O-CB 3.43Å; C69-Y73 PolarHBondContact O-N 2.92Å
70L93.2Very high93.6Very high2 Ų225.5 Ų25.51%0.0114%0.135CC..Hα-helixtrans-61.1-54.4177.6179.963.1000113H42 F45 M46 I62 M72 Y73 I74 M133H42-L70 HydrophobicContact CB-CD1 4.16Å; F45-L70 HydrophobicContact CB-CD1 4.23Å; F45-L70 HydrophobicContact CB-CD2 4.05Å; F45-L70 HydrophobicContact CD2-CD2 3.81Å; F45-L70 HydrophobicContact CE2-CD2 4.44Å; F45-L70 HydrophobicContact CG-CD2 4.03Å; M46-L70 HydrophobicContact SD-CD1 4.22Å; I62-L70 HydrophobicContact CD1-CG 4.43Å; I62-L70 HydrophobicContact CG2-CD2 4.43Å; L70-M72 VanDerWaalsContact C-N 3.33Å; L70-M72 PolarHBondContact O-N 2.93Å; L70-Y73 PolarHBondContact O-N 3.16Å; L70-I74 HydrophobicContact CD1-CD1 3.91Å; L70-I74 HydrophobicContact CD1-CG1 4.32Å; L70-I74 HydrophobicContact CG-CD1 4.01Å; L70-I74 WeakPolarHBondContact O-CG1 3.35Å; L70-I74 PolarHBondContact O-N 2.6Å; L70-M133 HydrophobicContact CD2-SD 4.02Å
71P95.9Very high93.7Very high2 Ų225.5 Ų25.51%0.01314%0.135CC..Hα-helixtrans-59.7-39.3176.916.3-28.1000113.2I62 G68 I74 R75 I83 F102 L108I62-P71 HydrophobicContact CD1-CB 4Å; G68-P71 WeakPolarHBondContact O-CD 3.24Å; G68-P71 WeakPolarHBondContact O-CG 3.48Å; P71-I74 PolarHBondContact O-N 2.87Å; P71-R75 VanDerWaalsContact O-CB 3.28Å; P71-R75 WeakPolarHBondContact O-CB 3.35Å; P71-R75 PolarHBondContact O-N 3.23Å; P71-I83 HydrophobicContact CB-CG2 4.36Å; P71-F102 HydrophobicContact CB-CE2 4.08Å; P71-F102 HydrophobicContact CG-CD2 4.42Å; P71-F102 HydrophobicContact CG-CE2 3.72Å; P71-L108 HydrophobicContact CB-CD1 3.91Å; P71-L108 HydrophobicContact CB-CD2 4.26Å
72M96.8Very high93.8Very high28 Ų2827.1 Ų27.114%0.13814%0.144CC..Hα-helixtrans-69.1-36.5177.8-71.8-55.4-58.100112.9G68 C69 L70 R75 H76 F102 V103 L108G68-M72 WeakPolarHBondContact O-CB 3.39Å; G68-M72 VanDerWaalsContact O-CG 3.24Å; G68-M72 WeakPolarHBondContact O-CG 3.44Å; G68-M72 PolarHBondContact O-N 3.05Å; G68-M72 VanDerWaalsContact O-N 3.07Å; C69-M72 PolarHBondContact O-N 2.87Å; L70-M72 VanDerWaalsContact C-N 3.33Å; L70-M72 PolarHBondContact O-N 2.93Å; M72-R75 PolarHBondContact O-N 2.9Å; M72-H76 WeakPolarHBondContact O-CB 3.42Å; M72-H76 PolarHBondContact O-N 2.83Å; M72-F102 HydrophobicContact CG-CB 4.48Å; M72-F102 HydrophobicContact CG-CD2 3.72Å; M72-F102 HydrophobicContact CG-CE2 4.39Å; M72-F102 HydrophobicContact CG-CG 4.44Å; M72-F102 HydrophobicContact SD-CD2 4.05Å; M72-F102 HydrophobicContact SD-CE2 4.48Å; M72-V103 PolarHBondContact SD-N 2.63Å; M72-L108 HydrophobicContact SD-CD2 3.73Å
73Y95.5Very high93.9Very high55 Ų5527.1 Ų27.122%0.21614%0.144CC..Hα-helixtrans-62.9-48.6173.8-178.1-94000111.1S34 T35 L37 M46 C69 L70 R75 H76 T77S34-Y73 WeakPolarHBondContact O-CA 3.45Å; S34-Y73 WeakPolarHBondContact O-CD2 3.3Å; T35-Y73 WeakPolarHBondContact O-CE2 3.32Å; L37-Y73 HydrophobicContact CD1-CD1 3.52Å; L37-Y73 HydrophobicContact CD1-CD2 4.22Å; L37-Y73 HydrophobicContact CD1-CE1 3.68Å; L37-Y73 HydrophobicContact CD1-CE2 4.34Å; L37-Y73 HydrophobicContact CD1-CG 3.81Å; L37-Y73 HydrophobicContact CD2-CD1 4.25Å; L37-Y73 HydrophobicContact CD2-CD2 4.16Å; L37-Y73 HydrophobicContact CD2-CG 3.74Å; L37-Y73 HydrophobicContact CG-CD1 3.86Å; L37-Y73 HydrophobicContact CG-CD2 3.69Å; L37-Y73 HydrophobicContact CG-CE1 4.23Å; L37-Y73 HydrophobicContact CG-CE2 4.06Å; L37-Y73 HydrophobicContact CG-CG 3.56Å; M46-Y73 HydrophobicContact CE-CD1 4.16Å; M46-Y73 HydrophobicContact CE-CE1 3.92Å; M46-Y73 HydrophobicContact CG-CD1 4.22Å; M46-Y73 HydrophobicContact CG-CE1 3.92Å; M46-Y73 HydrophobicContact SD-CD1 3.74Å; M46-Y73 HydrophobicContact SD-CE1 3.88Å; C69-Y73 VanDerWaalsContact O-CB 3.25Å; C69-Y73 WeakPolarHBondContact O-CB 3.43Å; C69-Y73 PolarHBondContact O-N 2.92Å; L70-Y73 PolarHBondContact O-N 3.16Å; Y73-R75 VanDerWaalsContact C-N 3.28Å; Y73-R75 PolarHBondContact O-N 3.29Å; Y73-H76 WeakPolarHBondContact O-CB 3.36Å; Y73-H76 PolarHBondContact O-N 3.44Å; Y73-H76 VanDerWaalsContact O-N 3.1Å; Y73-T77 HydrophobicContact CD1-CG2 4.25Å; Y73-T77 HydrophobicContact CD2-CG2 4.5Å; Y73-T77 HydrophobicContact CE1-CG2 3.81Å; Y73-T77 HydrophobicContact CE2-CG2 4.09Å; Y73-T77 PolarHBondContact O-N 2.79Å; Y73-T77 PolarHBondContact O-OG1 2.87Å
74I93.9Very high94.1Very high0 Ų027 Ų270%014%0.143CC..Hα-helixtrans-60.1-42.3176-65.5164.7000110.3M46 L49 I60 I62 L70 P71 H76 T77 H78 V81 I83 M133M46-I74 HydrophobicContact CE-CG1 4.08Å; M46-I74 HydrophobicContact SD-CD1 4.14Å; M46-I74 HydrophobicContact SD-CG1 3.48Å; M46-I74 WeakPolarHBondContact SD-CG1 3.47Å; L49-I74 HydrophobicContact CD2-CG1 4.36Å; L49-I74 HydrophobicContact CD2-CG2 3.83Å; I60-I74 HydrophobicContact CD1-CD1 3.76Å; I60-I74 HydrophobicContact CD1-CG2 3.92Å; I62-I74 HydrophobicContact CD1-CD1 3.84Å; L70-I74 HydrophobicContact CD1-CD1 3.91Å; L70-I74 HydrophobicContact CD1-CG1 4.32Å; L70-I74 HydrophobicContact CG-CD1 4.01Å; L70-I74 WeakPolarHBondContact O-CG1 3.35Å; L70-I74 PolarHBondContact O-N 2.6Å; P71-I74 PolarHBondContact O-N 2.87Å; I74-H76 PolarHBondContact O-N 3.49Å; I74-T77 PolarHBondContact O-N 2.9Å; I74-H78 HydrophobicContact CG2-CB 4.33Å; I74-H78 CarbonylContact O-C 3.47Å; I74-H78 WeakPolarHBondContact O-CA 3.36Å; I74-H78 PolarHBondContact O-N 3.48Å; I74-V81 HydrophobicContact CG2-CG1 4.43Å; I74-I83 HydrophobicContact CB-CD1 3.97Å; I74-I83 HydrophobicContact CG2-CD1 3.71Å; I74-I83 HydrophobicContact CG2-CG1 4.39Å; I74-M133 HydrophobicContact CD1-CE 4.01Å; I74-M133 HydrophobicContact CD1-SD 3.99Å
75R95Very high94.4Very high48 Ų4826.5 Ų26.518%0.18114%0.138CC..Hα-helixtrans-60.1-34.3178-176.362.4-169.795.2-8.3112.6P71 M72 Y73 P79 I83 D105 L108P71-R75 VanDerWaalsContact O-CB 3.28Å; P71-R75 WeakPolarHBondContact O-CB 3.35Å; P71-R75 PolarHBondContact O-N 3.23Å; M72-R75 PolarHBondContact O-N 2.9Å; Y73-R75 VanDerWaalsContact C-N 3.28Å; Y73-R75 PolarHBondContact O-N 3.29Å; R75-P79 PolarHBondContact NH1-O 2.96Å; R75-P79 WeakPolarHBondContact O-CA 3.32Å; R75-I83 HydrophobicContact CB-CD1 4.29Å; R75-D105 IonicContact CZ-OD2 2.8Å; R75-D105 IonicContact NE-OD1 2.67Å; R75-D105 PolarHBondContact NE-OD1 3.22Å; R75-D105 IonicContact NE-OD2 3.43Å; R75-D105 PolarHBondContact NE-OD2 3.07Å; R75-D105 IonicContact NH2-OD2 2.71Å; R75-D105 PolarHBondContact NH2-OD2 3.42Å; R75-L108 HydrophobicContact CB-CD2 4.39Å
76H94.1Very high94.6Very high104 Ų10426.1 Ų26.148%0.48114%0.136SC..Hα-helixtrans-74.8-48.2175.8-178.180000112.5T35 M72 Y73 I74T35-H76 WeakPolarHBondContact CG2-NE2 3.32Å; M72-H76 WeakPolarHBondContact O-CB 3.42Å; M72-H76 PolarHBondContact O-N 2.83Å; Y73-H76 WeakPolarHBondContact O-CB 3.36Å; Y73-H76 PolarHBondContact O-N 3.44Å; Y73-H76 VanDerWaalsContact O-N 3.1Å; I74-H76 PolarHBondContact O-N 3.49Å
77T92.8Very high94.8Very high52 Ų5226.6 Ų26.632%0.31914%0.136SC..Hα-helixtrans-84.3-25.2-173.760.20000114.2Y73 I74Y73-T77 HydrophobicContact CD1-CG2 4.25Å; Y73-T77 HydrophobicContact CD2-CG2 4.5Å; Y73-T77 HydrophobicContact CE1-CG2 3.81Å; Y73-T77 HydrophobicContact CE2-CG2 4.09Å; Y73-T77 PolarHBondContact O-N 2.79Å; Y73-T77 PolarHBondContact O-OG1 2.87Å; I74-T77 PolarHBondContact O-N 2.9Å
78H92.3Very high94.9Very high47 Ų4731.7 Ų31.722%0.21816%0.162CC..  trans-133.869-178.8-61.5-69.3000110.9L49 I74 D80 V81L49-H78 HydrophobicContact CD2-CB 4.44Å; L49-H78 WeakPolarHBondContact CD2-CD2 3.46Å; I74-H78 HydrophobicContact CG2-CB 4.33Å; I74-H78 CarbonylContact O-C 3.47Å; I74-H78 WeakPolarHBondContact O-CA 3.36Å; I74-H78 PolarHBondContact O-N 3.48Å; H78-D80 PolarHBondContact O-N 2.81Å; H78-V81 HydrophobicContact CB-CB 4.3Å; H78-V81 HydrophobicContact CB-CG2 3.55Å; H78-V81 WeakPolarHBondContact O-CB 3.42Å; H78-V81 PolarHBondContact O-N 3.35Å; H78-V81 VanDerWaalsContact O-N 3.11Å
79P92.7Very high95Very high73 Ų7334.8 Ų34.847%0.47418%0.178SC..THydrogen-bonded Turntrans-66.4-12.2-171.227.5-36.8000115.1R75R75-P79 PolarHBondContact NH1-O 2.96Å; R75-P79 WeakPolarHBondContact O-CA 3.32Å
80D91.6Very high95.1Very high80 Ų8037.3 Ų37.343%0.42820%0.195SC..THydrogen-bonded Turntrans-86.3-13.6177.863.1-50.8000113.6H78H78-D80 PolarHBondContact O-N 2.81Å
81V92.5Very high95.2Very high0 Ų040.9 Ų40.90%022%0.216CC..  trans-76.6130.4-179.1176.60000110.7L49 R58 I60 I74 H78 I83L49-V81 HydrophobicContact CD1-CG2 4.36Å; R58-V81 HydrophobicContact CB-CG1 4.34Å; R58-V81 HydrophobicContact CB-CG2 3.99Å; I60-V81 HydrophobicContact CB-CG1 4.37Å; I60-V81 HydrophobicContact CD1-CG1 3.95Å; I60-V81 HydrophobicContact CG1-CG1 3.82Å; I60-V81 HydrophobicContact CG2-CG1 3.78Å; I74-V81 HydrophobicContact CG2-CG1 4.43Å; H78-V81 HydrophobicContact CB-CB 4.3Å; H78-V81 HydrophobicContact CB-CG2 3.55Å; H78-V81 WeakPolarHBondContact O-CB 3.42Å; H78-V81 PolarHBondContact O-N 3.35Å; H78-V81 VanDerWaalsContact O-N 3.11Å; V81-I83 HydrophobicContact CG1-CG1 4.06Å
82N95.3Very high95.2Very high33 Ų3341.7 Ų41.718%0.17622%0.221CC..EExtended strand (participates in β ladder)trans-85.3117.5170.4-50.9-90.8000109.1R58 R59 I60 K107R58-N82 PolarHBondContact O-N 3.19Å; R58-N82 PolarHBondContact O-ND2 3.44Å; R59-N82 CarbonylContact C-O 3.57Å; R59-N82 VanDerWaalsContact CA-O 3.25Å; R59-N82 WeakPolarHBondContact CA-O 3.47Å; R59-N82 HydrophobicContact CB-CB 4.46Å; R59-N82 HydrophobicContact CG-CB 4.24Å; I60-N82 PolarHBondContact N-O 3.19Å; N82-K107 CarbonylContact C-O 3.4Å; N82-K107 WeakPolarHBondContact CA-O 3.48Å; N82-K107 WeakPolarHBondContact OD1-CD 3.47Å; N82-K107 PolarHBondContact OD1-NZ 3.29Å
83I96.3Very high95.2Very high0 Ų040.8 Ų40.80%022%0.216CC..EExtended strand (participates in β ladder)trans-108.1127.5-177-47178.2000109.1I60 I62 P71 I74 R75 V81 K107 L108 R109I60-I83 HydrophobicContact CD1-CB 4.36Å; I60-I83 HydrophobicContact CD1-CD1 4.32Å; I60-I83 HydrophobicContact CD1-CG1 3.83Å; I60-I83 HydrophobicContact CD1-CG2 4.05Å; I60-I83 HydrophobicContact CG1-CB 4.03Å; I60-I83 HydrophobicContact CG1-CG1 3.85Å; I60-I83 HydrophobicContact CG1-CG2 3.91Å; I62-I83 HydrophobicContact CD1-CG2 3.76Å; I62-I83 HydrophobicContact CG1-CG2 4.2Å; P71-I83 HydrophobicContact CB-CG2 4.36Å; I74-I83 HydrophobicContact CB-CD1 3.97Å; I74-I83 HydrophobicContact CG2-CD1 3.71Å; I74-I83 HydrophobicContact CG2-CG1 4.39Å; R75-I83 HydrophobicContact CB-CD1 4.29Å; V81-I83 HydrophobicContact CG1-CG1 4.06Å; I83-K107 PolarHBondContact N-O 3.19Å; I83-L108 HydrophobicContact CB-CB 4.44Å; I83-L108 HydrophobicContact CB-CD1 3.69Å; I83-L108 HydrophobicContact CD1-CD1 4.32Å; I83-L108 HydrophobicContact CG2-CD1 3.57Å; I83-R109 PolarHBondContact O-N 3.15Å
84V97.4Very high95.3Very high0 Ų044.3 Ų44.30%024%0.235CC..EExtended strand (participates in β ladder)trans-107.8116.4162-170.10000107.7I60 L61 I62 V86 R109 V111 Y118 F129I60-V84 PolarHBondContact O-N 3.34Å; L61-V84 CarbonylContact C-O 3.48Å; L61-V84 WeakPolarHBondContact CA-O 3.32Å; L61-V84 HydrophobicContact CD1-CB 4.1Å; L61-V84 HydrophobicContact CD1-CG1 4.21Å; I62-V84 PolarHBondContact N-O 2.95Å; V84-V86 HydrophobicContact CG1-CG2 4.4Å; V84-R109 HydrophobicContact CG1-CG 4.34Å; V84-R109 HydrophobicContact CG2-CG 4.33Å; V84-R109 VanDerWaalsContact CG2-NH2 3.27Å; V84-V111 HydrophobicContact CG1-CG2 3.92Å; V84-Y118 HydrophobicContact CG1-CE1 4.47Å; V84-Y118 HydrophobicContact CG1-CE2 4.33Å; V84-F129 HydrophobicContact CB-CE1 4.19Å; V84-F129 HydrophobicContact CG2-CE1 3.83Å; V84-F129 HydrophobicContact CG2-CZ 4.42Å
85A97.9Very high95.4Very high0 Ų046 Ų460%024%0.244CC..EExtended strand (participates in β ladder)trans-106.5122.3177.600000109.2I62 V65 L108 R109 V110 V111I62-A85 CarbonylContact O-C 3.4Å; I62-A85 WeakPolarHBondContact O-CA 3.23Å; V65-A85 HydrophobicContact CG2-CB 3.71Å; A85-L108 HydrophobicContact CB-CD1 4.25Å; A85-R109 PolarHBondContact N-O 3.46Å; A85-V110 HydrophobicContact CB-CG2 4.37Å; A85-V110 CarbonylContact O-C 3.56Å; A85-V110 VanDerWaalsContact O-CA 3.25Å; A85-V110 WeakPolarHBondContact O-CA 3.49Å; A85-V111 PolarHBondContact O-N 3.22Å
86V97.9Very high95.5Very high1 Ų143.7 Ų43.71%0.00624%0.236CC..EExtended strand (participates in β ladder)trans-107126.6-177.9-179.40000108.9L61 I62 V63 G64 V84 V111 S113 Y118L61-V86 HydrophobicContact CD1-CG2 3.65Å; I62-V86 PolarHBondContact O-N 3.13Å; V63-V86 HydrophobicContact CG1-CB 4.46Å; G64-V86 PolarHBondContact N-O 3.33Å; V84-V86 HydrophobicContact CG1-CG2 4.4Å; V86-V111 WeakPolarHBondContact CA-O 3.5Å; V86-V111 HydrophobicContact CG2-CB 4.37Å; V86-S113 VanDerWaalsContact CG1-O 3.28Å; V86-S113 WeakPolarHBondContact CG1-O 3.49Å; V86-Y118 HydrophobicContact CG1-CG 4.36Å; V86-Y118 HydrophobicContact CG2-CD1 3.7Å; V86-Y118 HydrophobicContact CG2-CD2 3.83Å; V86-Y118 HydrophobicContact CG2-CE1 4.12Å; V86-Y118 HydrophobicContact CG2-CE2 4.2Å; V86-Y118 HydrophobicContact CG2-CG 3.58Å
87E96.5Very high95.6Very high19 Ų1943.2 Ų43.29%0.08923%0.232CC..EExtended strand (participates in β ladder)trans-131.4137.5176.2-17949.7-104.600109.1V65 G66 D89 I92 I93 V111 V112 S113V65-E87 HydrophobicContact CB-CB 3.95Å; V65-E87 HydrophobicContact CB-CG 4.25Å; V65-E87 HydrophobicContact CG2-CB 3.74Å; V65-E87 PolarHBondContact N-OE2 2.97Å; G66-E87 PolarHBondContact N-OE2 2.96Å; E87-D89 WeakPolarHBondContact CG-O 3.38Å; E87-D89 PolarHBondContact OE1-N 3.43Å; E87-I92 HydrophobicContact CG-CB 4.16Å; E87-I92 HydrophobicContact CG-CG2 4.18Å; E87-I93 HydrophobicContact CB-CD1 3.44Å; E87-I93 VanDerWaalsContact CB-CD1 3.44Å; E87-I93 HydrophobicContact CB-CG1 3.85Å; E87-I93 HydrophobicContact CG-CD1 3.65Å; E87-I93 HydrophobicContact CG-CG1 3.85Å; E87-V111 PolarHBondContact N-O 3.35Å; E87-V111 VanDerWaalsContact N-O 3.11Å; E87-V112 CarbonylContact O-C 3.44Å; E87-V112 VanDerWaalsContact O-CA 3.23Å; E87-V112 WeakPolarHBondContact O-CA 3.43Å; E87-S113 CarbonylContact C-O 3.56Å; E87-S113 PolarHBondContact O-N 3.04Å
88I96.6Very high95.8Very high107 Ų10749.9 Ų49.955%0.54925%0.252SS..SBendtrans-79.4-33-179.8-167.6168.4000111.1P90 S113 D114I88-P90 WeakPolarHBondContact O-CD 3.42Å; I88-S113 WeakPolarHBondContact CA-O 3.44Å; I88-D114 HydrophobicContact CD1-CB 4.21Å
89D95.2Very high96Very high65 Ų6553.6 Ų53.635%0.34826%0.264SS..  trans-101.6109.6-175.3-172.4-12.7000112.2E87 T91 I92 I93E87-D89 WeakPolarHBondContact CG-O 3.38Å; E87-D89 PolarHBondContact OE1-N 3.43Å; D89-T91 PolarHBondContact O-N 3.04Å; D89-T91 WeakPolarHBondContact OD1-CA 3.3Å; D89-T91 VanDerWaalsContact OD1-CB 3.25Å; D89-T91 WeakPolarHBondContact OD1-CB 3.33Å; D89-T91 PolarHBondContact OD1-N 3.34Å; D89-I92 HydrophobicContact CB-CB 4.21Å; D89-I92 HydrophobicContact CB-CG1 3.74Å; D89-I92 WeakPolarHBondContact O-CB 3.3Å; D89-I92 PolarHBondContact O-N 2.89Å; D89-I92 VanDerWaalsContact O-N 3.11Å; D89-I93 PolarHBondContact O-N 2.82Å
90P96.8Very high96.2Very high68 Ų6850.5 Ų50.544%0.44224%0.243SC..Hα-helixtrans-61.3-27.7176.825.6-33.5000113.3I88 I92 I93 E94 V112I88-P90 WeakPolarHBondContact O-CD 3.42Å; P90-I92 VanDerWaalsContact C-N 3.31Å; P90-I92 PolarHBondContact O-N 2.82Å; P90-I93 WeakPolarHBondContact O-CB 3.46Å; P90-I93 PolarHBondContact O-N 3.3Å; P90-E94 PolarHBondContact O-N 3Å; P90-E94 VanDerWaalsContact O-N 3.08Å; P90-V112 HydrophobicContact CB-CG1 4.09Å; P90-V112 HydrophobicContact CB-CG2 4.33Å; P90-V112 HydrophobicContact CG-CG1 4.36Å
91T96.1Very high96.4Very high76 Ų7648.7 Ų48.747%0.46624%0.237SC..Hα-helixtrans-67.3-33.6177-61.50000111.4D89 I93 E94 V95D89-T91 PolarHBondContact O-N 3.04Å; D89-T91 WeakPolarHBondContact OD1-CA 3.3Å; D89-T91 VanDerWaalsContact OD1-CB 3.25Å; D89-T91 WeakPolarHBondContact OD1-CB 3.33Å; D89-T91 PolarHBondContact OD1-N 3.34Å; T91-I93 VanDerWaalsContact C-N 3.31Å; T91-I93 PolarHBondContact O-N 2.98Å; T91-E94 PolarHBondContact O-N 2.95Å; T91-V95 VanDerWaalsContact O-CG2 3.26Å; T91-V95 WeakPolarHBondContact O-CG2 3.31Å; T91-V95 PolarHBondContact O-N 3.15Å
92I95.1Very high96.6Very high20 Ų2048.9 Ų48.910%0.10324%0.238CC..Hα-helixtrans-64.4-38.6173.5-64.7-63.4000110.8L10 G66 E87 D89 P90 V95 A96L10-I92 HydrophobicContact CD2-CD1 4.15Å; G66-I92 WeakPolarHBondContact O-CG2 3.44Å; E87-I92 HydrophobicContact CG-CB 4.16Å; E87-I92 HydrophobicContact CG-CG2 4.18Å; D89-I92 HydrophobicContact CB-CB 4.21Å; D89-I92 HydrophobicContact CB-CG1 3.74Å; D89-I92 WeakPolarHBondContact O-CB 3.3Å; D89-I92 PolarHBondContact O-N 2.89Å; D89-I92 VanDerWaalsContact O-N 3.11Å; P90-I92 VanDerWaalsContact C-N 3.31Å; P90-I92 PolarHBondContact O-N 2.82Å; I92-V95 PolarHBondContact O-N 2.85Å; I92-A96 WeakPolarHBondContact O-CB 3.34Å; I92-A96 PolarHBondContact O-N 3.16Å
93I97.3Very high96.7Very high9 Ų951.6 Ų51.65%0.04626%0.255CS..Hα-helixtrans-63.8-42.1174.6-59.8-54.7000111.7V65 E87 D89 P90 T91 V95 A96 K97 V110 V112V65-I93 HydrophobicContact CB-CD1 3.77Å; V65-I93 HydrophobicContact CG1-CD1 3.7Å; V65-I93 HydrophobicContact CG2-CD1 3.86Å; E87-I93 HydrophobicContact CB-CD1 3.44Å; E87-I93 VanDerWaalsContact CB-CD1 3.44Å; E87-I93 HydrophobicContact CB-CG1 3.85Å; E87-I93 HydrophobicContact CG-CD1 3.65Å; E87-I93 HydrophobicContact CG-CG1 3.85Å; D89-I93 PolarHBondContact O-N 2.82Å; P90-I93 WeakPolarHBondContact O-CB 3.46Å; P90-I93 PolarHBondContact O-N 3.3Å; T91-I93 VanDerWaalsContact C-N 3.31Å; T91-I93 PolarHBondContact O-N 2.98Å; I93-V95 VanDerWaalsContact C-N 3.33Å; I93-V95 PolarHBondContact O-N 2.91Å; I93-A96 PolarHBondContact O-N 2.64Å; I93-K97 HydrophobicContact CG2-CD 4.11Å; I93-K97 WeakPolarHBondContact O-CB 3.38Å; I93-K97 WeakPolarHBondContact O-CG 3.19Å; I93-K97 PolarHBondContact O-N 2.78Å; I93-V110 HydrophobicContact CD1-CG1 3.55Å; I93-V110 HydrophobicContact CD1-CG2 4.36Å; I93-V110 HydrophobicContact CG1-CG1 3.8Å; I93-V110 HydrophobicContact CG2-CG1 4.2Å; I93-V112 HydrophobicContact CG1-CG2 4.45Å
94E97.3Very high96.7Very high129 Ų12955 Ų5560%0.60327%0.271SS*.Hα-helixtrans-61.4-42.8174.5-68.4179.6163.100111.7P90 T91 K97 R98P90-E94 PolarHBondContact O-N 3Å; P90-E94 VanDerWaalsContact O-N 3.08Å; T91-E94 PolarHBondContact O-N 2.95Å; E94-K97 PolarHBondContact O-N 2.81Å; E94-R98 VanDerWaalsContact O-CB 3.23Å; E94-R98 WeakPolarHBondContact O-CB 3.49Å; E94-R98 PolarHBondContact O-N 3.25Å
95V96.4Very high96.8Very high34 Ų3458 Ų5821%0.20629%0.287CS..Hα-helixtrans-62.6-45.7175.9171.20000111L10 T91 I92 I93 K97 R98 W99 F100L10-V95 HydrophobicContact CD1-CG1 4.07Å; L10-V95 HydrophobicContact CD2-CG1 4.28Å; T91-V95 VanDerWaalsContact O-CG2 3.26Å; T91-V95 WeakPolarHBondContact O-CG2 3.31Å; T91-V95 PolarHBondContact O-N 3.15Å; I92-V95 PolarHBondContact O-N 2.85Å; I93-V95 VanDerWaalsContact C-N 3.33Å; I93-V95 PolarHBondContact O-N 2.91Å; V95-K97 PolarHBondContact O-N 2.79Å; V95-R98 PolarHBondContact O-N 2.92Å; V95-W99 WeakPolarHBondContact O-CA 3.36Å; V95-W99 WeakPolarHBondContact O-CB 3.43Å; V95-W99 PolarHBondContact O-N 2.82Å; V95-F100 HydrophobicContact CG1-CD2 4.33Å; V95-F100 HydrophobicContact CG1-CE2 4.19Å
96A97.3Very high96.7Very high0 Ų066.2 Ų66.20%033%0.325CS..Hα-helixtrans-58.9-47.3178.200000111.3G66 I92 I93 F100 S101 F102G66-A96 WeakPolarHBondContact O-CB 3.38Å; I92-A96 WeakPolarHBondContact O-CB 3.34Å; I92-A96 PolarHBondContact O-N 3.16Å; I93-A96 PolarHBondContact O-N 2.64Å; A96-F100 CarbonylContact O-C 3.5Å; A96-F100 VanDerWaalsContact O-CA 3.29Å; A96-F100 WeakPolarHBondContact O-CA 3.43Å; A96-F100 WeakPolarHBondContact O-CB 3.31Å; A96-F100 PolarHBondContact O-N 2.73Å; A96-S101 PolarHBondContact O-N 3.3Å; A96-F102 VanDerWaalsContact C-CB 3.45Å; A96-F102 HydrophobicContact CB-CB 3.76Å; A96-F102 HydrophobicContact CB-CG 4.11Å; A96-F102 VanDerWaalsContact O-CB 3.31Å; A96-F102 WeakPolarHBondContact O-CB 3.28Å; A96-F102 PolarHBondContact O-N 2.81Å
97K97.2Very high96.6Very high94 Ų9468.4 Ų68.441%0.40934%0.335SS..Hα-helixtrans-64-46179.1-72.8175.5177-179.60112.2I93 E94 V95 F102 E104I93-K97 HydrophobicContact CG2-CD 4.11Å; I93-K97 WeakPolarHBondContact O-CB 3.38Å; I93-K97 WeakPolarHBondContact O-CG 3.19Å; I93-K97 PolarHBondContact O-N 2.78Å; E94-K97 PolarHBondContact O-N 2.81Å; V95-K97 PolarHBondContact O-N 2.79Å; K97-F102 WeakPolarHBondContact CA-O 3.41Å; K97-F102 HydrophobicContact CG-CD1 3.95Å; K97-E104 WeakPolarHBondContact CE-OE1 3.15Å; K97-E104 IonicContact NZ-OE1 3.17Å; K97-E104 PolarHBondContact NZ-OE1 3.15Å
98R96.1Very high96.7Very high192 Ų19267.5 Ų67.573%0.72533%0.331SS*.Hα-helixtrans-76.2-36.1-174.2-175171.6178.4164.72.6113.1E94 V95E94-R98 VanDerWaalsContact O-CB 3.23Å; E94-R98 WeakPolarHBondContact O-CB 3.49Å; E94-R98 PolarHBondContact O-N 3.25Å; V95-R98 PolarHBondContact O-N 2.92Å
99W96.2Very high96.8Very high125 Ų12567.3 Ų67.347%0.47332%0.323SS..Hα-helixtrans-122.5-14.1-167.2-57.9109.1000113.9R8 V95R8-W99 WeakPolarHBondContact CD-O 3.45Å; R8-W99 PolarHBondContact NH1-O 2.73Å; V95-W99 WeakPolarHBondContact O-CA 3.36Å; V95-W99 WeakPolarHBondContact O-CB 3.43Å; V95-W99 PolarHBondContact O-N 2.82Å
100F96.4Very high96.9Very high8 Ų865.2 Ų65.24%0.03531%0.313CS..SBendtrans-117.515.7-180-72.1-97.5000113.5R8 L10 A23 V32 G67 V95 A96 F102R8-F100 HydrophobicContact CB-CE1 4.44Å; R8-F100 HydrophobicContact CG-CE1 4.17Å; R8-F100 HydrophobicContact CG-CE2 4.38Å; R8-F100 HydrophobicContact CG-CZ 3.92Å; L10-F100 HydrophobicContact CB-CE2 3.98Å; L10-F100 HydrophobicContact CB-CZ 3.77Å; A23-F100 HydrophobicContact CB-CD1 4.06Å; A23-F100 HydrophobicContact CB-CE1 4.25Å; V32-F100 HydrophobicContact CG2-CB 4.35Å; V32-F100 HydrophobicContact CG2-CD1 4.25Å; G67-F100 WeakPolarHBondContact O-CB 3.34Å; V95-F100 HydrophobicContact CG1-CD2 4.33Å; V95-F100 HydrophobicContact CG1-CE2 4.19Å; A96-F100 CarbonylContact O-C 3.5Å; A96-F100 VanDerWaalsContact O-CA 3.29Å; A96-F100 WeakPolarHBondContact O-CA 3.43Å; A96-F100 WeakPolarHBondContact O-CB 3.31Å; A96-F100 PolarHBondContact O-N 2.73Å; F100-F102 PolarHBondContact O-N 3.44Å; F100-F102 VanDerWaalsContact O-N 3.14Å
101S95.6Very high97Very high43 Ų4364 Ų6430%0.30130%0.304SS..  trans55.230.3-179.3-54.10000112.5V32 A96 V103V32-S101 PolarHBondContact N-OG 3.16Å; A96-S101 PolarHBondContact O-N 3.3Å; S101-V103 PolarHBondContact O-N 3.02Å
102F97.2Very high97.1Very high4 Ų464.1 Ų64.12%0.01830%0.304CS..  trans-73.9125.2176.4-176.1-89.4000110.1V65 P71 M72 A96 K97 F100 E104 L108 V110V65-F102 HydrophobicContact CG1-CE2 4.21Å; V65-F102 HydrophobicContact CG1-CZ 4.5Å; P71-F102 HydrophobicContact CB-CE2 4.08Å; P71-F102 HydrophobicContact CG-CD2 4.42Å; P71-F102 HydrophobicContact CG-CE2 3.72Å; M72-F102 HydrophobicContact CG-CB 4.48Å; M72-F102 HydrophobicContact CG-CD2 3.72Å; M72-F102 HydrophobicContact CG-CE2 4.39Å; M72-F102 HydrophobicContact CG-CG 4.44Å; M72-F102 HydrophobicContact SD-CD2 4.05Å; M72-F102 HydrophobicContact SD-CE2 4.48Å; A96-F102 VanDerWaalsContact C-CB 3.45Å; A96-F102 HydrophobicContact CB-CB 3.76Å; A96-F102 HydrophobicContact CB-CG 4.11Å; A96-F102 VanDerWaalsContact O-CB 3.31Å; A96-F102 WeakPolarHBondContact O-CB 3.28Å; A96-F102 PolarHBondContact O-N 2.81Å; K97-F102 WeakPolarHBondContact CA-O 3.41Å; K97-F102 HydrophobicContact CG-CD1 3.95Å; F100-F102 PolarHBondContact O-N 3.44Å; F100-F102 VanDerWaalsContact O-N 3.14Å; F102-E104 HydrophobicContact CE1-CG 3.78Å; F102-L108 HydrophobicContact CE2-CD1 4.5Å; F102-L108 HydrophobicContact CE2-CD2 3.95Å; F102-L108 HydrophobicContact CZ-CD1 4.2Å; F102-L108 HydrophobicContact CZ-CD2 4.01Å; F102-L108 HydrophobicContact CZ-CG 4.18Å; F102-V110 HydrophobicContact CE1-CG2 3.3Å; F102-V110 HydrophobicContact CZ-CG2 3.32Å
103V97.1Very high97.2Very high89 Ų8964.3 Ų64.354%0.53931%0.308SS..  trans-132.2123.7-177-178.90000109M72 S101 L108M72-V103 PolarHBondContact SD-N 2.63Å; S101-V103 PolarHBondContact O-N 3.02Å; V103-L108 WeakPolarHBondContact O-CD2 3.21Å
104E97.9Very high97.3Very high72 Ų7266.7 Ų66.734%0.33632%0.32SS..  trans-78.9149.4169.2-65.6179.5-10200110.5K97 F102 L108 V110K97-E104 WeakPolarHBondContact CE-OE1 3.15Å; K97-E104 IonicContact NZ-OE1 3.17Å; K97-E104 PolarHBondContact NZ-OE1 3.15Å; F102-E104 HydrophobicContact CE1-CG 3.78Å; E104-L108 CarbonylContact C-O 3.41Å; E104-L108 WeakPolarHBondContact CA-O 3.38Å; E104-L108 WeakPolarHBondContact CB-O 3.33Å; E104-V110 HydrophobicContact CG-CB 4.36Å; E104-V110 HydrophobicContact CG-CG2 3.92Å; E104-V110 PolarHBondContact OE2-N 2.99Å
105D97.6Very high97.2Very high63 Ų6360.8 Ų60.834%0.33729%0.294SS..  trans-150.9-166.8172.969.115.2000111.1R75 K107 L108R75-D105 IonicContact CZ-OD2 2.8Å; R75-D105 IonicContact NE-OD1 2.67Å; R75-D105 PolarHBondContact NE-OD1 3.22Å; R75-D105 IonicContact NE-OD2 3.43Å; R75-D105 PolarHBondContact NE-OD2 3.07Å; R75-D105 IonicContact NH2-OD2 2.71Å; R75-D105 PolarHBondContact NH2-OD2 3.42Å; D105-K107 PolarHBondContact O-N 2.68Å; D105-K107 WeakPolarHBondContact OD1-CA 3.22Å; D105-K107 PolarHBondContact OD1-N 3.18Å; D105-L108 PolarHBondContact N-O 2.69Å; D105-L108 CarbonylContact O-C 3.48Å; D105-L108 PolarHBondContact O-N 3.26Å; D105-L108 VanDerWaalsContact O-O 3.09Å; D105-L108 PolarHBondContact OD1-N 3.48Å
106E96.6Very high97.1Very high172 Ų17260 Ų6080%0.80429%0.289SS*.SBendtrans-60.6-22.1179.172.1-148.8-172.100114.2
107K96.7Very high97.2Very high48 Ų4866.7 Ų66.721%0.20932%0.319CS..SBendtrans-108.3-25.1-178.2-67.2-60.7-179.3169.10112.7N82 I83 D105N82-K107 CarbonylContact C-O 3.4Å; N82-K107 WeakPolarHBondContact CA-O 3.48Å; N82-K107 WeakPolarHBondContact OD1-CD 3.47Å; N82-K107 PolarHBondContact OD1-NZ 3.29Å; I83-K107 PolarHBondContact N-O 3.19Å; D105-K107 PolarHBondContact O-N 2.68Å; D105-K107 WeakPolarHBondContact OD1-CA 3.22Å; D105-K107 PolarHBondContact OD1-N 3.18Å
108L97.9Very high97.3Very high0 Ų063.1 Ų63.10%030%0.303CS..EExtended strand (participates in β ladder)trans-117.2108.9176.1170.657.1000110P71 M72 R75 I83 A85 F102 V103 E104 D105P71-L108 HydrophobicContact CB-CD1 3.91Å; P71-L108 HydrophobicContact CB-CD2 4.26Å; M72-L108 HydrophobicContact SD-CD2 3.73Å; R75-L108 HydrophobicContact CB-CD2 4.39Å; I83-L108 HydrophobicContact CB-CB 4.44Å; I83-L108 HydrophobicContact CB-CD1 3.69Å; I83-L108 HydrophobicContact CD1-CD1 4.32Å; I83-L108 HydrophobicContact CG2-CD1 3.57Å; A85-L108 HydrophobicContact CB-CD1 4.25Å; F102-L108 HydrophobicContact CE2-CD1 4.5Å; F102-L108 HydrophobicContact CE2-CD2 3.95Å; F102-L108 HydrophobicContact CZ-CD1 4.2Å; F102-L108 HydrophobicContact CZ-CD2 4.01Å; F102-L108 HydrophobicContact CZ-CG 4.18Å; V103-L108 WeakPolarHBondContact O-CD2 3.21Å; E104-L108 CarbonylContact C-O 3.41Å; E104-L108 WeakPolarHBondContact CA-O 3.38Å; E104-L108 WeakPolarHBondContact CB-O 3.33Å; D105-L108 PolarHBondContact N-O 2.69Å; D105-L108 CarbonylContact O-C 3.48Å; D105-L108 PolarHBondContact O-N 3.26Å; D105-L108 VanDerWaalsContact O-O 3.09Å; D105-L108 PolarHBondContact OD1-N 3.48Å
109R97.9Very high97.2Very high102 Ų10254 Ų5439%0.38527%0.268SS..EExtended strand (participates in β ladder)trans-116.7145174.968.8177-174.4-97.316.6111.9I83 V84 A85I83-R109 PolarHBondContact O-N 3.15Å; V84-R109 HydrophobicContact CG1-CG 4.34Å; V84-R109 HydrophobicContact CG2-CG 4.33Å; V84-R109 VanDerWaalsContact CG2-NH2 3.27Å; A85-R109 PolarHBondContact N-O 3.46Å
110V98.4Very high97.2Very high22 Ų2255 Ų5513%0.13327%0.272CS..EExtended strand (participates in β ladder)trans-100.7139.3172.1175.50000110.5A85 I93 F102 E104A85-V110 HydrophobicContact CB-CG2 4.37Å; A85-V110 CarbonylContact O-C 3.56Å; A85-V110 VanDerWaalsContact O-CA 3.25Å; A85-V110 WeakPolarHBondContact O-CA 3.49Å; I93-V110 HydrophobicContact CD1-CG1 3.55Å; I93-V110 HydrophobicContact CD1-CG2 4.36Å; I93-V110 HydrophobicContact CG1-CG1 3.8Å; I93-V110 HydrophobicContact CG2-CG1 4.2Å; F102-V110 HydrophobicContact CE1-CG2 3.3Å; F102-V110 HydrophobicContact CZ-CG2 3.32Å; E104-V110 HydrophobicContact CG-CB 4.36Å; E104-V110 HydrophobicContact CG-CG2 3.92Å; E104-V110 PolarHBondContact OE2-N 2.99Å
111V98.3Very high97.3Very high42 Ų4258.3 Ų58.326%0.25529%0.287SS..EExtended strand (participates in β ladder)trans-121.1118.3170-178.90000108.3V84 A85 V86 E87 S113 Y118V84-V111 HydrophobicContact CG1-CG2 3.92Å; A85-V111 PolarHBondContact O-N 3.22Å; V86-V111 WeakPolarHBondContact CA-O 3.5Å; V86-V111 HydrophobicContact CG2-CB 4.37Å; E87-V111 PolarHBondContact N-O 3.35Å; E87-V111 VanDerWaalsContact N-O 3.11Å; V111-S113 PolarHBondContact O-N 3.43Å; V111-Y118 HydrophobicContact CB-CD2 4.33Å; V111-Y118 HydrophobicContact CB-CE2 4.19Å; V111-Y118 HydrophobicContact CG1-CD2 3.85Å; V111-Y118 HydrophobicContact CG1-CE2 3.98Å; V111-Y118 HydrophobicContact CG2-CE2 4.03Å
112V98.4Very high97.4Very high78 Ų7856.2 Ų56.247%0.47327%0.273SS..EExtended strand (participates in β ladder)trans-79.6104.3173.2-1780000108.8E87 P90 I93E87-V112 CarbonylContact O-C 3.44Å; E87-V112 VanDerWaalsContact O-CA 3.23Å; E87-V112 WeakPolarHBondContact O-CA 3.43Å; P90-V112 HydrophobicContact CB-CG1 4.09Å; P90-V112 HydrophobicContact CB-CG2 4.33Å; P90-V112 HydrophobicContact CG-CG1 4.36Å; I93-V112 HydrophobicContact CG1-CG2 4.45Å
113S98.2Very high97.3Very high25 Ų2557.5 Ų57.518%0.17528%0.282CS..SBendtrans-162.4155.9-178.7-178.90000110.7V86 E87 I88 V111 G115V86-S113 VanDerWaalsContact CG1-O 3.28Å; V86-S113 WeakPolarHBondContact CG1-O 3.49Å; E87-S113 CarbonylContact C-O 3.56Å; E87-S113 PolarHBondContact O-N 3.04Å; I88-S113 WeakPolarHBondContact CA-O 3.44Å; V111-S113 PolarHBondContact O-N 3.43Å; S113-G115 PolarHBondContact O-N 3.3Å
114D97.6Very high97.3Very high58 Ų5862 Ų6231%0.3129%0.289SS..  trans-57.4134.2157.9174.8-86.1000109.7I88 V116 K117 Y118I88-D114 HydrophobicContact CD1-CB 4.21Å; D114-V116 WeakPolarHBondContact OD1-CA 3.44Å; D114-V116 WeakPolarHBondContact OD1-CB 3.37Å; D114-V116 PolarHBondContact OD1-N 3.09Å; D114-K117 HydrophobicContact CB-CB 3.89Å; D114-K117 PolarHBondContact O-N 3.45Å; D114-K117 PolarHBondContact OD1-N 3.13Å; D114-Y118 PolarHBondContact O-N 3.11Å
115G96.4Very high97.2Very high5 Ų561.9 Ų61.95%0.05229%0.294CS..Hα-helixtrans-66.1-42.3-174.800000113.7S113 K117 Y118 I119S113-G115 PolarHBondContact O-N 3.3Å; G115-K117 VanDerWaalsContact C-N 3.34Å; G115-Y118 PolarHBondContact O-N 2.82Å; G115-I119 WeakPolarHBondContact O-CD1 3.41Å; G115-I119 VanDerWaalsContact O-CG1 3.32Å; G115-I119 WeakPolarHBondContact O-CG1 3.24Å; G115-I119 PolarHBondContact O-N 3.48Å
116V95.2Very high97.1Very high18 Ų1861.1 Ų61.111%0.10930%0.301CS..Hα-helixtrans-67.1-40.1178.2177.50000110.2D114 I119 R120 Q147 F148D114-V116 WeakPolarHBondContact OD1-CA 3.44Å; D114-V116 WeakPolarHBondContact OD1-CB 3.37Å; D114-V116 PolarHBondContact OD1-N 3.09Å; V116-I119 PolarHBondContact O-N 2.95Å; V116-R120 PolarHBondContact O-N 3.11Å; V116-Q147 HydrophobicContact CG2-CB 4.04Å; V116-Q147 HydrophobicContact CG2-CG 3.65Å; V116-F148 HydrophobicContact CG2-CD1 3.87Å; V116-F148 HydrophobicContact CG2-CE1 3.72Å; V116-F148 HydrophobicContact CG2-CG 4.37Å; V116-F148 HydrophobicContact CG2-CZ 4.11Å
117K98.3Very high96.9Very high141 Ų14155.1 Ų55.161%0.61327%0.273SS*.Hα-helixtrans-61.4-44.9173.5-175.4-175.5175.7-174.20111.4D114 G115 R120 E121D114-K117 HydrophobicContact CB-CB 3.89Å; D114-K117 PolarHBondContact O-N 3.45Å; D114-K117 PolarHBondContact OD1-N 3.13Å; G115-K117 VanDerWaalsContact C-N 3.34Å; K117-R120 PolarHBondContact O-N 3.18Å; K117-E121 WeakPolarHBondContact O-CB 3.49Å; K117-E121 PolarHBondContact O-N 3.23Å
118Y98.5Very high96.6Very high19 Ų1958.8 Ų58.88%0.07529%0.285CS..Hα-helixtrans-60.5-47.5177-178.6-85.1000111.2L61 V84 V86 V111 D114 G115 R120 E121 A122 E127 F129L61-Y118 HydrophobicContact CD1-CD1 3.85Å; L61-Y118 HydrophobicContact CD1-CE1 3.53Å; L61-Y118 HydrophobicContact CD2-CD1 4.09Å; L61-Y118 HydrophobicContact CD2-CE1 4.07Å; L61-Y118 HydrophobicContact CG-CE1 4.47Å; V84-Y118 HydrophobicContact CG1-CE1 4.47Å; V84-Y118 HydrophobicContact CG1-CE2 4.33Å; V86-Y118 HydrophobicContact CG1-CG 4.36Å; V86-Y118 HydrophobicContact CG2-CD1 3.7Å; V86-Y118 HydrophobicContact CG2-CD2 3.83Å; V86-Y118 HydrophobicContact CG2-CE1 4.12Å; V86-Y118 HydrophobicContact CG2-CE2 4.2Å; V86-Y118 HydrophobicContact CG2-CG 3.58Å; V111-Y118 HydrophobicContact CB-CD2 4.33Å; V111-Y118 HydrophobicContact CB-CE2 4.19Å; V111-Y118 HydrophobicContact CG1-CD2 3.85Å; V111-Y118 HydrophobicContact CG1-CE2 3.98Å; V111-Y118 HydrophobicContact CG2-CE2 4.03Å; D114-Y118 PolarHBondContact O-N 3.11Å; G115-Y118 PolarHBondContact O-N 2.82Å; Y118-R120 VanDerWaalsContact C-N 3.33Å; Y118-R120 PolarHBondContact O-N 2.8Å; Y118-E121 PolarHBondContact O-N 2.81Å; Y118-A122 HydrophobicContact CD1-CB 4.46Å; Y118-A122 HydrophobicContact CE1-CB 4.08Å; Y118-A122 WeakPolarHBondContact O-CB 3.23Å; Y118-A122 PolarHBondContact O-N 3.05Å; Y118-E127 PolarHBondContact OH-OE2 3.48Å; Y118-F129 HydrophobicContact CE1-CZ 4.08Å
119I94.8Very high96.2Very high0 Ų059 Ų590%029%0.286CS..Hα-helixtrans-56.5-47.5178.2-73.9161.7000110.9L61 V63 G115 V116 E121 A122 C123 F148 D156 L160L61-I119 HydrophobicContact CD2-CG1 4Å; V63-I119 HydrophobicContact CG2-CD1 4.33Å; G115-I119 WeakPolarHBondContact O-CD1 3.41Å; G115-I119 VanDerWaalsContact O-CG1 3.32Å; G115-I119 WeakPolarHBondContact O-CG1 3.24Å; G115-I119 PolarHBondContact O-N 3.48Å; V116-I119 PolarHBondContact O-N 2.95Å; I119-E121 VanDerWaalsContact C-N 3.35Å; I119-E121 PolarHBondContact O-N 2.88Å; I119-A122 PolarHBondContact O-N 2.67Å; I119-C123 PolarHBondContact O-N 3.49Å; I119-C123 VanDerWaalsContact O-N 3.08Å; I119-C123 PolarHBondContact O-SG 2.79Å; I119-F148 HydrophobicContact CD1-CD1 4.42Å; I119-F148 HydrophobicContact CD1-CE1 4.39Å; I119-D156 HydrophobicContact CG2-CB 3.49Å; I119-D156 VanDerWaalsContact CG2-CB 3.49Å; I119-L160 HydrophobicContact CB-CD1 4.45Å; I119-L160 HydrophobicContact CG2-CD1 3.98Å
120R97.3Very high95.6Very high145 Ų14555.3 Ų55.355%0.54727%0.274SS..Hα-helixtrans-62.3-42.1177.8-174.4178.5-63.6157.63.7112.4V116 K117 Y118 C123 R124V116-R120 PolarHBondContact O-N 3.11Å; K117-R120 PolarHBondContact O-N 3.18Å; Y118-R120 VanDerWaalsContact C-N 3.33Å; Y118-R120 PolarHBondContact O-N 2.8Å; R120-C123 WeakPolarHBondContact O-CB 3.34Å; R120-C123 PolarHBondContact O-N 2.77Å; R120-R124 PolarHBondContact O-N 2.88Å
121E98.3Very high94.8Very high78 Ų7854.3 Ų54.336%0.36427%0.268SS..Hα-helixtrans-67.5-41178.9-179.456.8-161.400111.6K117 Y118 I119 C123 R124 T125K117-E121 WeakPolarHBondContact O-CB 3.49Å; K117-E121 PolarHBondContact O-N 3.23Å; Y118-E121 PolarHBondContact O-N 2.81Å; I119-E121 VanDerWaalsContact C-N 3.35Å; I119-E121 PolarHBondContact O-N 2.88Å; E121-C123 VanDerWaalsContact C-N 3.28Å; E121-C123 PolarHBondContact O-N 3.29Å; E121-R124 WeakPolarHBondContact O-CA 3.46Å; E121-R124 WeakPolarHBondContact O-CB 3.25Å; E121-R124 PolarHBondContact O-N 3.42Å; E121-R124 IonicContact OE1-CZ 3.63Å; E121-R124 VanDerWaalsContact OE1-CZ 3.26Å; E121-R124 IonicContact OE1-NE 2.82Å; E121-R124 PolarHBondContact OE1-NE 2.79Å; E121-R124 IonicContact OE1-NH2 3.6Å; E121-R124 PolarHBondContact OE1-NH2 3.4Å; E121-R124 IonicContact OE2-CZ 3.23Å; E121-R124 IonicContact OE2-NE 3.87Å; E121-R124 PolarHBondContact OE2-NE 3.26Å; E121-R124 IonicContact OE2-NH2 3.26Å; E121-T125 HydrophobicContact CG-CG2 4.44Å; E121-T125 WeakPolarHBondContact O-CG2 3.34Å; E121-T125 PolarHBondContact O-N 3.4Å; E121-T125 PolarHBondContact O-OG1 3.06Å; E121-T125 WeakPolarHBondContact OE1-CG2 3.37Å
122A97.3Very high94.2Very high0 Ų052.3 Ų52.30%026%0.256CS..Hα-helixtrans-59.1-38.3174.500000111.8Y118 I119 R124 T125 G126 E127 F129 L160Y118-A122 HydrophobicContact CD1-CB 4.46Å; Y118-A122 HydrophobicContact CE1-CB 4.08Å; Y118-A122 WeakPolarHBondContact O-CB 3.23Å; Y118-A122 PolarHBondContact O-N 3.05Å; I119-A122 PolarHBondContact O-N 2.67Å; A122-R124 VanDerWaalsContact C-N 3.35Å; A122-T125 WeakPolarHBondContact CA-OG1 3.43Å; A122-T125 PolarHBondContact O-N 3.43Å; A122-T125 PolarHBondContact O-OG1 2.79Å; A122-G126 PolarHBondContact O-N 3.07Å; A122-G126 VanDerWaalsContact O-N 3.13Å; A122-E127 HydrophobicContact CB-CB 3.96Å; A122-E127 HydrophobicContact CB-CG 4.46Å; A122-E127 PolarHBondContact O-N 3.34Å; A122-F129 HydrophobicContact CB-CE2 4.31Å; A122-L160 HydrophobicContact CB-CD1 4.01Å; A122-L160 HydrophobicContact CB-CD2 3.79Å
123C94.4Very high93.7Very high31 Ų3148.6 Ų48.621%0.20923%0.233CC..Hα-helixtrans-60.9-45.4172-72.80000111.3I119 R120 E121 T125 G126 D156I119-C123 PolarHBondContact O-N 3.49Å; I119-C123 VanDerWaalsContact O-N 3.08Å; I119-C123 PolarHBondContact O-SG 2.79Å; R120-C123 WeakPolarHBondContact O-CB 3.34Å; R120-C123 PolarHBondContact O-N 2.77Å; E121-C123 VanDerWaalsContact C-N 3.28Å; E121-C123 PolarHBondContact O-N 3.29Å; C123-T125 PolarHBondContact O-N 2.94Å; C123-G126 PolarHBondContact O-N 2.89Å; C123-D156 PolarHBondContact SG-O 2.79Å
124R97.2Very high93.2Very high182 Ų18247.5 Ų47.569%0.68723%0.226SC*.Hα-helixtrans-65.5-36.5-178.8-166.9-170.97177.1-4.4112.6R120 E121 A122 G126R120-R124 PolarHBondContact O-N 2.88Å; E121-R124 WeakPolarHBondContact O-CA 3.46Å; E121-R124 WeakPolarHBondContact O-CB 3.25Å; E121-R124 PolarHBondContact O-N 3.42Å; E121-R124 IonicContact OE1-CZ 3.63Å; E121-R124 VanDerWaalsContact OE1-CZ 3.26Å; E121-R124 IonicContact OE1-NE 2.82Å; E121-R124 PolarHBondContact OE1-NE 2.79Å; E121-R124 IonicContact OE1-NH2 3.6Å; E121-R124 PolarHBondContact OE1-NH2 3.4Å; E121-R124 IonicContact OE2-CZ 3.23Å; E121-R124 IonicContact OE2-NE 3.87Å; E121-R124 PolarHBondContact OE2-NE 3.26Å; E121-R124 IonicContact OE2-NH2 3.26Å; A122-R124 VanDerWaalsContact C-N 3.35Å; R124-G126 VanDerWaalsContact C-N 3.31Å
125T96.8Very high92.6Very high70 Ų7046.5 Ų46.543%0.42922%0.22SC..Hα-helixtrans-84.3-5.7179.357.70000113.2E121 A122 C123 E127E121-T125 HydrophobicContact CG-CG2 4.44Å; E121-T125 WeakPolarHBondContact O-CG2 3.34Å; E121-T125 PolarHBondContact O-N 3.4Å; E121-T125 PolarHBondContact O-OG1 3.06Å; E121-T125 WeakPolarHBondContact OE1-CG2 3.37Å; A122-T125 WeakPolarHBondContact CA-OG1 3.43Å; A122-T125 PolarHBondContact O-N 3.43Å; A122-T125 PolarHBondContact O-OG1 2.79Å; C123-T125 PolarHBondContact O-N 2.94Å; T125-E127 PolarHBondContact OG1-OE1 3.49Å
126G94.3Very high92.1Very high47 Ų4747.6 Ų47.649%0.48523%0.226SC..THydrogen-bonded Turntrans77.320.9178.500000113.8A122 C123 R124 R128A122-G126 PolarHBondContact O-N 3.07Å; A122-G126 VanDerWaalsContact O-N 3.13Å; C123-G126 PolarHBondContact O-N 2.89Å; R124-G126 VanDerWaalsContact C-N 3.31Å; G126-R128 PolarHBondContact O-NH1 2.67Å
127E93.8Very high91.3Very high46 Ų4648.9 Ų48.922%0.21524%0.238CC..  trans-62.8152.2174.5-76.9-178.7-130.200111.9R59 Y118 A122 T125 F129 L160R59-E127 IonicContact CZ-OE2 3.54Å; R59-E127 IonicContact NH1-OE2 3.64Å; R59-E127 PolarHBondContact NH1-OE2 3.26Å; R59-E127 IonicContact NH2-OE2 3.66Å; R59-E127 PolarHBondContact NH2-OE2 3.38Å; Y118-E127 PolarHBondContact OH-OE2 3.48Å; A122-E127 HydrophobicContact CB-CB 3.96Å; A122-E127 HydrophobicContact CB-CG 4.46Å; A122-E127 PolarHBondContact O-N 3.34Å; T125-E127 PolarHBondContact OG1-OE1 3.49Å; E127-F129 HydrophobicContact CB-CE2 4.13Å; E127-F129 WeakPolarHBondContact OE2-CZ 3.38Å; E127-L160 HydrophobicContact CB-CD2 4.46Å; E127-L160 VanDerWaalsContact O-CD2 3.23Å; E127-L160 WeakPolarHBondContact O-CD2 3.28Å
128R90.2Very high90.1Very high126 Ų12647.4 Ų47.448%0.47523%0.233SC..  trans-135149.9174.1-66.7-63.9-178.3-80.42.1111.1R59 G126 T159 L160R59-R128 WeakPolarHBondContact CD-O 3.25Å; R59-R128 PolarHBondContact NH1-O 3.21Å; G126-R128 PolarHBondContact O-NH1 2.67Å; R128-T159 PolarHBondContact NE-O 2.87Å; R128-L160 WeakPolarHBondContact CA-O 3.41Å; R128-L160 WeakPolarHBondContact CD-O 3.41Å
129F88.8Confident88.6Confident5 Ų549.4 Ų49.42%0.02225%0.246CC..  trans-137.2148.4-179.9-61.2-88.1000109.5R59 L61 V84 Y118 A122 E127 I132 L160 V161R59-F129 HydrophobicContact CG-CD1 3.76Å; R59-F129 HydrophobicContact CG-CE1 4.08Å; R59-F129 VanDerWaalsContact CZ-CZ 3.42Å; R59-F129 VanDerWaalsContact NH1-CZ 3.26Å; R59-F129 VanDerWaalsContact NH2-CZ 3.31Å; R59-F129 CarbonylContact O-C 3.48Å; R59-F129 WeakPolarHBondContact O-CA 3.46Å; L61-F129 HydrophobicContact CB-CD1 3.66Å; L61-F129 HydrophobicContact CB-CD2 4.34Å; L61-F129 HydrophobicContact CB-CE1 3.66Å; L61-F129 HydrophobicContact CB-CE2 4.35Å; L61-F129 HydrophobicContact CB-CG 4Å; L61-F129 HydrophobicContact CB-CZ 4.01Å; L61-F129 HydrophobicContact CD1-CE1 4.39Å; L61-F129 HydrophobicContact CD1-CZ 4.28Å; L61-F129 HydrophobicContact CD2-CE2 4.26Å; L61-F129 HydrophobicContact CD2-CZ 4.34Å; L61-F129 HydrophobicContact CG-CE1 4.5Å; L61-F129 HydrophobicContact CG-CZ 4.45Å; V84-F129 HydrophobicContact CB-CE1 4.19Å; V84-F129 HydrophobicContact CG2-CE1 3.83Å; V84-F129 HydrophobicContact CG2-CZ 4.42Å; Y118-F129 HydrophobicContact CE1-CZ 4.08Å; A122-F129 HydrophobicContact CB-CE2 4.31Å; E127-F129 HydrophobicContact CB-CE2 4.13Å; E127-F129 WeakPolarHBondContact OE2-CZ 3.38Å; F129-I132 HydrophobicContact CB-CG1 4.29Å; F129-L160 HydrophobicContact CD2-CB 4.18Å; F129-L160 HydrophobicContact CD2-CD1 4.39Å; F129-L160 HydrophobicContact CD2-CD2 4.41Å; F129-L160 HydrophobicContact CE2-CD1 4.35Å; F129-L160 HydrophobicContact CE2-CD2 4.39Å; F129-L160 PolarHBondContact N-O 3.15Å; F129-V161 VanDerWaalsContact O-CA 3.3Å; F129-V161 WeakPolarHBondContact O-CA 3.45Å
130D85.1Confident86.9Confident24 Ų2451.5 Ų51.513%0.12826%0.26CS..SBendtrans-85.8-19.8172.5-57.6-73.7000111.9S52 A54 R58 R59S52-D130 WeakPolarHBondContact CB-O 3.34Å; A54-D130 HydrophobicContact CB-CB 4.22Å; A54-D130 WeakPolarHBondContact CB-OD1 3.24Å; R58-D130 WeakPolarHBondContact CA-OD2 3.44Å; R59-D130 PolarHBondContact N-OD2 3.02Å; R59-D130 PolarHBondContact O-N 3.41Å
131C82.7Confident85.3Confident0 Ų048.2 Ų48.20%025%0.253CS..EExtended strand (participates in β ladder)trans-152.9140.6178.8-169.20000110.8S48 I60 L61S48-C131 PolarHBondContact OG-SG 3.12Å; I60-C131 VanDerWaalsContact CA-O 3.31Å; I60-C131 WeakPolarHBondContact CA-O 3.47Å; I60-C131 HydrophobicContact CB-CB 4.33Å; I60-C131 HydrophobicContact CG2-CB 3.78Å; L61-C131 PolarHBondContact N-O 3.09Å
132I85.6Confident83.7Confident0 Ų045.3 Ų45.30%024%0.24CC..EExtended strand (participates in β ladder)trans-122.1126.3169.3-59175.7000107.7L61 F129 I134 C157 L160 V161 F166 T167L61-I132 HydrophobicContact CB-CB 4.46Å; L61-I132 HydrophobicContact CB-CG1 4.07Å; L61-I132 HydrophobicContact CB-CG2 4.33Å; L61-I132 HydrophobicContact CD2-CD1 4.42Å; L61-I132 HydrophobicContact CD2-CG1 4.3Å; L61-I132 HydrophobicContact CD2-CG2 4.08Å; L61-I132 HydrophobicContact CG-CG2 4.32Å; L61-I132 CarbonylContact O-C 3.56Å; L61-I132 WeakPolarHBondContact O-CA 3.41Å; F129-I132 HydrophobicContact CB-CG1 4.29Å; I132-I134 HydrophobicContact CG2-CG1 4.16Å; I132-C157 HydrophobicContact CD1-CB 4.07Å; I132-L160 HydrophobicContact CD1-CB 3.82Å; I132-L160 HydrophobicContact CD1-CD1 4.1Å; I132-V161 HydrophobicContact CB-CG1 4.38Å; I132-V161 HydrophobicContact CD1-CG1 3.57Å; I132-V161 HydrophobicContact CG1-CG1 3.56Å; I132-F166 HydrophobicContact CB-CD2 3.85Å; I132-F166 HydrophobicContact CB-CE2 3.79Å; I132-F166 HydrophobicContact CD1-CD2 4.26Å; I132-F166 HydrophobicContact CD1-CE2 4.39Å; I132-F166 HydrophobicContact CG1-CD2 4.43Å; I132-F166 HydrophobicContact CG2-CD2 4.47Å; I132-F166 HydrophobicContact CG2-CE2 3.91Å; I132-T167 CarbonylContact O-C 3.46Å
133M87.3Confident82.7Confident0 Ų045.9 Ų45.90%025%0.245CC..EExtended strand (participates in β ladder)trans-114125.3176.5-59.8176.8-178.700108.3F45 S48 L49 L61 I62 V63 L70 I74F45-M133 HydrophobicContact CB-CE 4.36Å; F45-M133 HydrophobicContact CB-CG 4.46Å; F45-M133 HydrophobicContact CB-SD 3.92Å; F45-M133 HydrophobicContact CD1-CB 3.59Å; F45-M133 HydrophobicContact CD1-CG 3.64Å; F45-M133 HydrophobicContact CD1-SD 4.17Å; F45-M133 HydrophobicContact CE1-CB 3.65Å; F45-M133 HydrophobicContact CE1-CG 4.22Å; F45-M133 HydrophobicContact CG-CB 4.39Å; F45-M133 HydrophobicContact CG-CG 4.34Å; F45-M133 HydrophobicContact CG-SD 4.28Å; F45-M133 WeakPolarHBondContact O-CE 3.47Å; S48-M133 WeakPolarHBondContact OG-CE 3.46Å; L49-M133 HydrophobicContact CB-CE 4.03Å; L61-M133 PolarHBondContact O-N 3.49Å; I62-M133 CarbonylContact C-O 3.57Å; I62-M133 WeakPolarHBondContact CA-O 3.26Å; I62-M133 HydrophobicContact CD1-SD 4.31Å; I62-M133 HydrophobicContact CG1-CB 4.3Å; I62-M133 HydrophobicContact CG1-SD 4.05Å; V63-M133 PolarHBondContact N-O 3.25Å; L70-M133 HydrophobicContact CD2-SD 4.02Å; I74-M133 HydrophobicContact CD1-CE 4.01Å; I74-M133 HydrophobicContact CD1-SD 3.99Å
134I86.8Confident81.8Confident3 Ų344.7 Ų44.72%0.01524%0.237CC..EExtended strand (participates in β ladder)trans-111.792.2178.1-52.7178.5000107.9F45 I132 V136 P144 F148 F166F45-I134 WeakPolarHBondContact CZ-O 3.48Å; I132-I134 HydrophobicContact CG2-CG1 4.16Å; I134-V136 HydrophobicContact CG2-CB 4.44Å; I134-V136 HydrophobicContact CG2-CG2 4.15Å; I134-P144 HydrophobicContact CB-CB 4.4Å; I134-P144 HydrophobicContact CG2-CB 3.57Å; I134-P144 HydrophobicContact CG2-CG 4.27Å; I134-F148 HydrophobicContact CD1-CB 4.13Å; I134-F148 HydrophobicContact CD1-CD1 4.06Å; I134-F148 HydrophobicContact CD1-CG 4.44Å; I134-F148 HydrophobicContact CG2-CB 3.92Å; I134-F148 HydrophobicContact CG2-CD1 3.67Å; I134-F148 HydrophobicContact CG2-CD2 4.07Å; I134-F148 HydrophobicContact CG2-CE1 4.2Å; I134-F148 HydrophobicContact CG2-CG 3.6Å; I134-F166 HydrophobicContact CD1-CE2 4.46Å; I134-F166 HydrophobicContact CD1-CZ 4.08Å
135D86.2Confident81.1Confident37 Ų3736.6 Ų36.620%0.19821%0.207CC..  trans-102.854.1178-167.220.2000110.1H41 H42 F45 V63H41-D135 IonicContact CD2-OD1 3.55Å; H41-D135 IonicContact NE2-OD1 2.64Å; H42-D135 IonicContact CD2-OD2 3.65Å; H42-D135 IonicContact NE2-OD2 2.67Å; H42-D135 PolarHBondContact NE2-OD2 3.32Å; F45-D135 HydrophobicContact CE2-CB 3.73Å; F45-D135 HydrophobicContact CZ-CB 3.84Å; V63-D135 CarbonylContact O-C 3.56Å; V63-D135 WeakPolarHBondContact O-CA 3.18Å; V63-D135 PolarHBondContact O-N 3.47Å
136V84.8Confident80.3Confident28 Ų2837.9 Ų37.917%0.1722%0.216CC..  trans-109.9107.4-179.9-171.60000109.3V63 I134 P144 L145 F148V63-V136 HydrophobicContact CB-CG2 4.18Å; V63-V136 HydrophobicContact CG1-CG2 3.65Å; V63-V136 WeakPolarHBondContact O-CG2 3.37Å; I134-V136 HydrophobicContact CG2-CB 4.44Å; I134-V136 HydrophobicContact CG2-CG2 4.15Å; V136-P144 WeakPolarHBondContact O-CA 3.25Å; V136-L145 HydrophobicContact CG1-CD1 3.69Å; V136-L145 HydrophobicContact CG1-CG 4.04Å; V136-F148 HydrophobicContact CB-CD2 4.26Å; V136-F148 HydrophobicContact CB-CE2 3.76Å; V136-F148 HydrophobicContact CB-CZ 4.31Å; V136-F148 HydrophobicContact CG1-CE2 3.81Å; V136-F148 HydrophobicContact CG1-CZ 4.47Å; V136-F148 HydrophobicContact CG2-CE2 3.78Å; V136-F148 HydrophobicContact CG2-CZ 3.8Å
137A78.3Confident79.9Confident45 Ų4539.2 Ų39.237%0.37221%0.21SC..  trans-118.4140.2169.800000109.1A143A137-A143 HydrophobicContact CB-CB 3.82Å
138E74.6Confident79.4Confident109 Ų10937.4 Ų37.451%0.50920%0.201SC..  trans-91.4-157.4161.5-81175.6-162.100108.7S140 L145E138-S140 PolarHBondContact O-N 3.2Å; E138-S140 VanDerWaalsContact O-N 3.16Å; E138-L145 HydrophobicContact CB-CD2 3.81Å; E138-L145 HydrophobicContact CG-CD1 3.96Å; E138-L145 HydrophobicContact CG-CD2 3.63Å; E138-L145 HydrophobicContact CG-CG 4.39Å; E138-L145 VanDerWaalsContact OE1-CD1 3.3Å; E138-L145 WeakPolarHBondContact OE1-CD1 3.49Å
139D66.7Low78.7Confident62 Ų6232 Ų3233%0.33218%0.182SC..SBendtrans-67.8-5.6172.380.1-24.7000112.7R15R15-D139 HydrophobicContact CB-CB 4.3Å; R15-D139 VanDerWaalsContact CD-O 3.22Å; R15-D139 WeakPolarHBondContact CD-O 3.36Å; R15-D139 HydrophobicContact CG-CB 3.88Å; R15-D139 PolarHBondContact NE-O 3.48Å; R15-D139 IonicContact NE-OD2 3.69Å; R15-D139 PolarHBondContact NE-OD2 3.31Å; R15-D139 PolarHBondContact NH1-O 3.25Å
140S59.3Low78.2Confident44 Ų4434 Ų3431%0.30820%0.197SC..SBendtrans-64.9159.8-178.456.50000114.6E138 L142E138-S140 PolarHBondContact O-N 3.2Å; E138-S140 VanDerWaalsContact O-N 3.16Å; S140-L142 VanDerWaalsContact C-N 3.25Å; S140-L142 PolarHBondContact OG-O 3.27Å
141L61.9Low77.9Confident76 Ų7637.1 Ų37.140%0.39822%0.217SC..SBendtrans-76.7-14.6172.5-68.3169.6000112.9K173 P175L141-K173 HydrophobicContact CD2-CB 4.44Å; L141-K173 PolarHBondContact O-N 3.44Å; L141-P175 HydrophobicContact CD1-CG 3.68Å; L141-P175 HydrophobicContact CD2-CG 4.35Å
142L66.1Low77.9Confident17 Ų1741.6 Ų41.69%0.08924%0.238CC..BIsolated β-bridgetrans-113.7133-177.4-65.3-167.3000111.3S140 M172 C201 L204 E205S140-L142 VanDerWaalsContact C-N 3.25Å; S140-L142 PolarHBondContact OG-O 3.27Å; L142-M172 HydrophobicContact CD2-CB 3.97Å; L142-M172 HydrophobicContact CD2-CG 3.64Å; L142-M172 HydrophobicContact CD2-SD 3.94Å; L142-C201 HydrophobicContact CD1-CB 4.12Å; L142-C201 VanDerWaalsContact CD1-O 3.24Å; L142-C201 WeakPolarHBondContact CD1-O 3.48Å; L142-L204 HydrophobicContact CD2-CB 4.41Å; L142-E205 HydrophobicContact CD1-CB 3.94Å; L142-E205 HydrophobicContact CD1-CG 3.39Å; L142-E205 WeakPolarHBondContact CD1-OE1 3.37Å; L142-E205 HydrophobicContact CG-CG 4.09Å
143A76.1Confident77.7Confident12 Ų1241.7 Ų41.710%0.09924%0.238CC..  trans-131.5145.7166.500000110.1A137 A171A137-A143 HydrophobicContact CB-CB 3.82Å; A143-A171 PolarHBondContact N-O 3.11Å; A143-A171 PolarHBondContact O-N 3.11Å
144P75.1Confident77.4Confident6 Ų642.3 Ų42.34%0.03924%0.242CC..SBendcis-83.3172.3336.6-33.9000112.5I134 V136 F148 V149 F170I134-P144 HydrophobicContact CB-CB 4.4Å; I134-P144 HydrophobicContact CG2-CB 3.57Å; I134-P144 HydrophobicContact CG2-CG 4.27Å; V136-P144 WeakPolarHBondContact O-CA 3.25Å; P144-F148 HydrophobicContact CB-CB 3.96Å; P144-F148 HydrophobicContact CB-CD2 4.35Å; P144-F148 HydrophobicContact CB-CG 4.42Å; P144-F148 HydrophobicContact CG-CB 4.09Å; P144-V149 HydrophobicContact CG-CG1 3.76Å; P144-F170 VanDerWaalsContact CD-CE1 3.46Å; P144-F170 HydrophobicContact CG-CD1 4.26Å; P144-F170 HydrophobicContact CG-CE1 4Å
145L82.4Confident77.1Confident12 Ų1246.9 Ų46.96%0.06326%0.263CS..  trans-60.2150.9177.4-54.7173.5000112.3V136 E138 Q147 F148V136-L145 HydrophobicContact CG1-CD1 3.69Å; V136-L145 HydrophobicContact CG1-CG 4.04Å; E138-L145 HydrophobicContact CB-CD2 3.81Å; E138-L145 HydrophobicContact CG-CD1 3.96Å; E138-L145 HydrophobicContact CG-CD2 3.63Å; E138-L145 HydrophobicContact CG-CG 4.39Å; E138-L145 VanDerWaalsContact OE1-CD1 3.3Å; E138-L145 WeakPolarHBondContact OE1-CD1 3.49Å; L145-Q147 VanDerWaalsContact CB-CD 3.44Å; L145-Q147 HydrophobicContact CB-CG 4.5Å; L145-Q147 PolarHBondContact O-N 3.23Å; L145-F148 HydrophobicContact CB-CD2 4.01Å; L145-F148 HydrophobicContact CB-CE2 4.42Å; L145-F148 HydrophobicContact CD1-CE2 4.42Å; L145-F148 WeakPolarHBondContact O-CB 3.12Å; L145-F148 PolarHBondContact O-N 3.21Å
146P81.4Confident77.1Confident96 Ų9645.9 Ų45.962%0.62326%0.258SS*.G310 helixtrans-50.7-34.5-175.2-31.236.7000115.4F148 V149 S150P146-F148 VanDerWaalsContact C-N 3.26Å; P146-F148 PolarHBondContact O-N 3.48Å; P146-V149 WeakPolarHBondContact O-CG2 3.43Å; P146-V149 PolarHBondContact O-N 2.81Å; P146-V149 VanDerWaalsContact O-N 3.16Å; P146-S150 PolarHBondContact O-N 2.64Å
147Q84.9Confident77.1Confident76 Ų7644.6 Ų44.636%0.35525%0.25SC..G310 helixtrans-63.1-30.4178.963.9-87.930.300113.4V116 L145 V149 S150 C153V116-Q147 HydrophobicContact CG2-CB 4.04Å; V116-Q147 HydrophobicContact CG2-CG 3.65Å; L145-Q147 VanDerWaalsContact CB-CD 3.44Å; L145-Q147 HydrophobicContact CB-CG 4.5Å; L145-Q147 PolarHBondContact O-N 3.23Å; Q147-V149 VanDerWaalsContact C-N 3.3Å; Q147-V149 PolarHBondContact O-N 3.08Å; Q147-S150 PolarHBondContact O-OG 2.95Å; Q147-C153 VanDerWaalsContact O-CB 3.3Å; Q147-C153 WeakPolarHBondContact O-CB 3.37Å
148F83.7Confident77.1Confident7 Ų746.5 Ų46.53%0.03125%0.25CC..G310 helixtrans-76.6-17.6178.2-70.6-72.7000113.4V63 V116 I119 I134 V136 P144 L145 P146V63-F148 HydrophobicContact CG1-CE1 3.73Å; V63-F148 HydrophobicContact CG1-CZ 3.8Å; V116-F148 HydrophobicContact CG2-CD1 3.87Å; V116-F148 HydrophobicContact CG2-CE1 3.72Å; V116-F148 HydrophobicContact CG2-CG 4.37Å; V116-F148 HydrophobicContact CG2-CZ 4.11Å; I119-F148 HydrophobicContact CD1-CD1 4.42Å; I119-F148 HydrophobicContact CD1-CE1 4.39Å; I134-F148 HydrophobicContact CD1-CB 4.13Å; I134-F148 HydrophobicContact CD1-CD1 4.06Å; I134-F148 HydrophobicContact CD1-CG 4.44Å; I134-F148 HydrophobicContact CG2-CB 3.92Å; I134-F148 HydrophobicContact CG2-CD1 3.67Å; I134-F148 HydrophobicContact CG2-CD2 4.07Å; I134-F148 HydrophobicContact CG2-CE1 4.2Å; I134-F148 HydrophobicContact CG2-CG 3.6Å; V136-F148 HydrophobicContact CB-CD2 4.26Å; V136-F148 HydrophobicContact CB-CE2 3.76Å; V136-F148 HydrophobicContact CB-CZ 4.31Å; V136-F148 HydrophobicContact CG1-CE2 3.81Å; V136-F148 HydrophobicContact CG1-CZ 4.47Å; V136-F148 HydrophobicContact CG2-CE2 3.78Å; V136-F148 HydrophobicContact CG2-CZ 3.8Å; P144-F148 HydrophobicContact CB-CB 3.96Å; P144-F148 HydrophobicContact CB-CD2 4.35Å; P144-F148 HydrophobicContact CB-CG 4.42Å; P144-F148 HydrophobicContact CG-CB 4.09Å; L145-F148 HydrophobicContact CB-CD2 4.01Å; L145-F148 HydrophobicContact CB-CE2 4.42Å; L145-F148 HydrophobicContact CD1-CE2 4.42Å; L145-F148 WeakPolarHBondContact O-CB 3.12Å; L145-F148 PolarHBondContact O-N 3.21Å; P146-F148 VanDerWaalsContact C-N 3.26Å; P146-F148 PolarHBondContact O-N 3.48Å
149V76Confident77.6Confident12 Ų1244.2 Ų44.27%0.07324%0.243CC..G310 helixtrans-105.94178.4-53.90000112.8P144 P146 Q147 L154 F170 V197P144-V149 HydrophobicContact CG-CG1 3.76Å; P146-V149 WeakPolarHBondContact O-CG2 3.43Å; P146-V149 PolarHBondContact O-N 2.81Å; P146-V149 VanDerWaalsContact O-N 3.16Å; Q147-V149 VanDerWaalsContact C-N 3.3Å; Q147-V149 PolarHBondContact O-N 3.08Å; V149-L154 WeakPolarHBondContact O-CD1 3.26Å; V149-F170 HydrophobicContact CG1-CE1 3.57Å; V149-F170 HydrophobicContact CG1-CZ 4.17Å; V149-V197 HydrophobicContact CB-CB 4.06Å; V149-V197 HydrophobicContact CB-CG1 3.61Å; V149-V197 HydrophobicContact CG1-CB 4.44Å; V149-V197 HydrophobicContact CG1-CG1 3.49Å; V149-V197 VanDerWaalsContact CG1-CG1 3.49Å; V149-V197 HydrophobicContact CG2-CG1 4.31Å
150S78.1Confident78.6Confident48 Ų4841.2 Ų41.234%0.33623%0.227SC..SBendtrans-59.9146.6171.668.40000110.7P146 Q147 Q152 C153 L154P146-S150 PolarHBondContact O-N 2.64Å; Q147-S150 PolarHBondContact O-OG 2.95Å; S150-Q152 PolarHBondContact O-N 3.48Å; S150-C153 PolarHBondContact O-N 2.76Å; S150-C153 VanDerWaalsContact O-N 3.09Å; S150-C153 VanDerWaalsContact OG-CB 3.25Å; S150-C153 WeakPolarHBondContact OG-CB 3.22Å; S150-C153 PolarHBondContact OG-N 2.81Å; S150-L154 WeakPolarHBondContact O-CG 3.43Å; S150-L154 PolarHBondContact O-N 2.81Å
151T77.2Confident79.6Confident89 Ų8939.3 Ų39.355%0.54621%0.214SC..Hα-helixtrans-51.8-43178.6-530000111.9L154 Q155T151-L154 PolarHBondContact O-N 3.28Å; T151-Q155 WeakPolarHBondContact O-CB 3.21Å; T151-Q155 VanDerWaalsContact O-CG 3.24Å; T151-Q155 WeakPolarHBondContact O-CG 3.5Å; T151-Q155 PolarHBondContact O-N 2.83Å
152Q82.8Confident79.8Confident95 Ų9540.8 Ų40.844%0.44422%0.218SC..Hα-helixtrans-65-46.6179.2-17363.259.100111.9S150 L154 Q155 D156S150-Q152 PolarHBondContact O-N 3.48Å; Q152-L154 VanDerWaalsContact C-N 3.31Å; Q152-L154 PolarHBondContact O-N 2.84Å; Q152-Q155 PolarHBondContact O-N 3.26Å; Q152-D156 PolarHBondContact NE2-OD1 3.46Å; Q152-D156 PolarHBondContact O-N 2.89Å
153C83Confident79.3Confident1 Ų145.3 Ų45.31%0.00725%0.249CC..Hα-helixtrans-63.1-39.8179.6-169.70000111.4Q147 S150 D156 C157Q147-C153 VanDerWaalsContact O-CB 3.3Å; Q147-C153 WeakPolarHBondContact O-CB 3.37Å; S150-C153 PolarHBondContact O-N 2.76Å; S150-C153 VanDerWaalsContact O-N 3.09Å; S150-C153 VanDerWaalsContact OG-CB 3.25Å; S150-C153 WeakPolarHBondContact OG-CB 3.22Å; S150-C153 PolarHBondContact OG-N 2.81Å; C153-D156 PolarHBondContact O-N 3.07Å; C153-C157 WeakPolarHBondContact O-CB 3.24Å; C153-C157 PolarHBondContact O-N 2.88Å; C153-C157 PolarHBondContact O-SG 3.06Å
154L80.8Confident78.2Confident14 Ų1449.6 Ų49.67%0.07326%0.263CS..Hα-helixtrans-65.6-37.6176-66.2175.8000112.3V149 S150 T151 Q152 K158 F166 V197V149-L154 WeakPolarHBondContact O-CD1 3.26Å; S150-L154 WeakPolarHBondContact O-CG 3.43Å; S150-L154 PolarHBondContact O-N 2.81Å; T151-L154 PolarHBondContact O-N 3.28Å; Q152-L154 VanDerWaalsContact C-N 3.31Å; Q152-L154 PolarHBondContact O-N 2.84Å; L154-K158 WeakPolarHBondContact O-CB 3.09Å; L154-K158 PolarHBondContact O-N 2.87Å; L154-F166 HydrophobicContact CD2-CE1 4.3Å; L154-F166 HydrophobicContact CD2-CZ 4.45Å; L154-V197 HydrophobicContact CD1-CG2 4.44Å
155Q80.5Confident77.1Confident99 Ų9950.5 Ų50.546%0.46327%0.269SS..Hα-helixtrans-66.5-40.9174.1-75.3170.8-17.200112.4T151 Q152 K158 T159T151-Q155 WeakPolarHBondContact O-CB 3.21Å; T151-Q155 VanDerWaalsContact O-CG 3.24Å; T151-Q155 WeakPolarHBondContact O-CG 3.5Å; T151-Q155 PolarHBondContact O-N 2.83Å; Q152-Q155 PolarHBondContact O-N 3.26Å; Q155-K158 PolarHBondContact O-N 3.36Å; Q155-T159 PolarHBondContact O-N 3.25Å; Q155-T159 PolarHBondContact O-OG1 2.99Å
156D86.7Confident75.7Confident16 Ų1650 Ų509%0.08627%0.266CS..Hα-helixtrans-64.4-47.5175.8-66.1-14.7000109.9I119 C123 Q152 C153 K158 T159 L160I119-D156 HydrophobicContact CG2-CB 3.49Å; I119-D156 VanDerWaalsContact CG2-CB 3.49Å; C123-D156 PolarHBondContact SG-O 2.79Å; Q152-D156 PolarHBondContact NE2-OD1 3.46Å; Q152-D156 PolarHBondContact O-N 2.89Å; C153-D156 PolarHBondContact O-N 3.07Å; D156-K158 VanDerWaalsContact C-N 3.32Å; D156-K158 PolarHBondContact O-N 3.38Å; D156-T159 WeakPolarHBondContact O-CB 3.36Å; D156-T159 PolarHBondContact O-N 3.47Å; D156-T159 VanDerWaalsContact O-N 3.13Å; D156-L160 WeakPolarHBondContact O-CG 3.45Å; D156-L160 PolarHBondContact O-N 3.27Å
157C84.4Confident74.2Confident0 Ų045.5 Ų45.50%024%0.237CC..Hα-helixtrans-55.5-45173.6-76.50000112.3I132 C153 T159 L160 V161 F166I132-C157 HydrophobicContact CD1-CB 4.07Å; C153-C157 WeakPolarHBondContact O-CB 3.24Å; C153-C157 PolarHBondContact O-N 2.88Å; C153-C157 PolarHBondContact O-SG 3.06Å; C157-T159 PolarHBondContact O-N 2.77Å; C157-L160 WeakPolarHBondContact O-CB 3.31Å; C157-L160 PolarHBondContact O-N 3.37Å; C157-V161 WeakPolarHBondContact O-CG2 3.17Å; C157-V161 PolarHBondContact O-N 3.11Å; C157-V161 VanDerWaalsContact O-N 3.15Å; C157-F166 HydrophobicContact CB-CD2 3.77Å; C157-F166 HydrophobicContact CB-CE2 3.43Å; C157-F166 VanDerWaalsContact CB-CE2 3.43Å; C157-F166 HydrophobicContact CB-CZ 4.02Å
158K78Confident72.6Confident85 Ų8542 Ų4237%0.3722%0.22SC..Hα-helixtrans-58.1-47.1175.7178.6177.1172.4177.20111.6L154 Q155 D156 L160 V161 E162 F187L154-K158 WeakPolarHBondContact O-CB 3.09Å; L154-K158 PolarHBondContact O-N 2.87Å; Q155-K158 PolarHBondContact O-N 3.36Å; D156-K158 VanDerWaalsContact C-N 3.32Å; D156-K158 PolarHBondContact O-N 3.38Å; K158-L160 PolarHBondContact O-N 3.37Å; K158-V161 WeakPolarHBondContact O-CG2 3.43Å; K158-V161 PolarHBondContact O-N 2.78Å; K158-E162 WeakPolarHBondContact CE-OE1 3.39Å; K158-E162 HydrophobicContact CG-CG 4.26Å; K158-E162 IonicContact NZ-OE1 2.94Å; K158-E162 WeakPolarHBondContact O-CG 3.33Å; K158-E162 PolarHBondContact O-N 3.1Å; K158-E162 VanDerWaalsContact O-N 3.11Å; K158-F187 HydrophobicContact CD-CD1 4.37Å
159T84.3Confident71.2Confident61 Ų6141.8 Ų41.837%0.37422%0.22SC..Hα-helixtrans-59.1-34.3178.1-57.30000112.4R128 Q155 D156 C157R128-T159 PolarHBondContact NE-O 2.87Å; Q155-T159 PolarHBondContact O-N 3.25Å; Q155-T159 PolarHBondContact O-OG1 2.99Å; D156-T159 WeakPolarHBondContact O-CB 3.36Å; D156-T159 PolarHBondContact O-N 3.47Å; D156-T159 VanDerWaalsContact O-N 3.13Å; C157-T159 PolarHBondContact O-N 2.77Å
160L87.3Confident70.2Confident0 Ų041.7 Ų41.70%022%0.219CC..Hα-helixtrans-76.6-28.5179.7-72.3179000114.1I119 A122 E127 R128 F129 I132 D156 C157 K158I119-L160 HydrophobicContact CB-CD1 4.45Å; I119-L160 HydrophobicContact CG2-CD1 3.98Å; A122-L160 HydrophobicContact CB-CD1 4.01Å; A122-L160 HydrophobicContact CB-CD2 3.79Å; E127-L160 HydrophobicContact CB-CD2 4.46Å; E127-L160 VanDerWaalsContact O-CD2 3.23Å; E127-L160 WeakPolarHBondContact O-CD2 3.28Å; R128-L160 WeakPolarHBondContact CA-O 3.41Å; R128-L160 WeakPolarHBondContact CD-O 3.41Å; F129-L160 HydrophobicContact CD2-CB 4.18Å; F129-L160 HydrophobicContact CD2-CD1 4.39Å; F129-L160 HydrophobicContact CD2-CD2 4.41Å; F129-L160 HydrophobicContact CE2-CD1 4.35Å; F129-L160 HydrophobicContact CE2-CD2 4.39Å; F129-L160 PolarHBondContact N-O 3.15Å; I132-L160 HydrophobicContact CD1-CB 3.82Å; I132-L160 HydrophobicContact CD1-CD1 4.1Å; D156-L160 WeakPolarHBondContact O-CG 3.45Å; D156-L160 PolarHBondContact O-N 3.27Å; C157-L160 WeakPolarHBondContact O-CB 3.31Å; C157-L160 PolarHBondContact O-N 3.37Å; K158-L160 PolarHBondContact O-N 3.37Å
161V80.9Confident69.1Low3 Ų340.2 Ų40.22%0.01821%0.21CC..Hα-helixtrans-99.8-18-175.5-62.30000115.6F129 I132 C157 K158 Y164 F166F129-V161 VanDerWaalsContact O-CA 3.3Å; F129-V161 WeakPolarHBondContact O-CA 3.45Å; I132-V161 HydrophobicContact CB-CG1 4.38Å; I132-V161 HydrophobicContact CD1-CG1 3.57Å; I132-V161 HydrophobicContact CG1-CG1 3.56Å; C157-V161 WeakPolarHBondContact O-CG2 3.17Å; C157-V161 PolarHBondContact O-N 3.11Å; C157-V161 VanDerWaalsContact O-N 3.15Å; K158-V161 WeakPolarHBondContact O-CG2 3.43Å; K158-V161 PolarHBondContact O-N 2.78Å; V161-Y164 WeakPolarHBondContact CG2-O 3.25Å; V161-Y164 CarbonylContact O-C 3.49Å; V161-Y164 WeakPolarHBondContact O-CA 3.24Å; V161-Y164 PolarHBondContact O-N 3.33Å; V161-F166 HydrophobicContact CG1-CB 4.36Å; V161-F166 HydrophobicContact CG1-CD2 4.34Å; V161-F166 HydrophobicContact CG2-CB 3.66Å
162E66Low67.9Low107 Ų10737 Ų3750%0.519%0.189SC..THydrogen-bonded Turntrans-57.5137.5-175.9-88.7-180179.400112.6K158K158-E162 WeakPolarHBondContact CE-OE1 3.39Å; K158-E162 HydrophobicContact CG-CG 4.26Å; K158-E162 IonicContact NZ-OE1 2.94Å; K158-E162 WeakPolarHBondContact O-CG 3.33Å; K158-E162 PolarHBondContact O-N 3.1Å; K158-E162 VanDerWaalsContact O-N 3.11Å
163P56.1Low66.5Low113 Ų11337 Ų3773%0.73419%0.187SC*.THydrogen-bonded Turncis-91.415.96.637.3-36.9000115.1
164Y53.4Low65Low101 Ų10140 Ų4040%0.39620%0.203SC..SBendtrans-103.7171.8-173.7-59.1-69.3000113.6R53 V161 F166R53-Y164 HydrophobicContact CB-CD1 4.35Å; R53-Y164 HydrophobicContact CB-CE1 4.29Å; V161-Y164 WeakPolarHBondContact CG2-O 3.25Å; V161-Y164 CarbonylContact O-C 3.49Å; V161-Y164 WeakPolarHBondContact O-CA 3.24Å; V161-Y164 PolarHBondContact O-N 3.33Å; Y164-F166 PolarHBondContact O-N 3.28Å
165V51.6Low63.4Low25 Ų2542.6 Ų42.615%0.15222%0.22CC..  trans-72.4112.7-165.4-178.50000111I51 T167 P186I51-V165 HydrophobicContact CG2-CB 4.16Å; I51-V165 HydrophobicContact CG2-CG1 4.05Å; I51-V165 HydrophobicContact CG2-CG2 3.89Å; V165-T167 WeakPolarHBondContact CG1-OG1 3.37Å; V165-P186 HydrophobicContact CG1-CB 3.84Å
166F52.1Low62.2Low1 Ų146.3 Ų46.30%0.00424%0.243CC..  trans-67.1132.6155.9178.4-102.7000108I132 I134 L154 C157 V161 Y164 T168 F187I132-F166 HydrophobicContact CB-CD2 3.85Å; I132-F166 HydrophobicContact CB-CE2 3.79Å; I132-F166 HydrophobicContact CD1-CD2 4.26Å; I132-F166 HydrophobicContact CD1-CE2 4.39Å; I132-F166 HydrophobicContact CG1-CD2 4.43Å; I132-F166 HydrophobicContact CG2-CD2 4.47Å; I132-F166 HydrophobicContact CG2-CE2 3.91Å; I134-F166 HydrophobicContact CD1-CE2 4.46Å; I134-F166 HydrophobicContact CD1-CZ 4.08Å; L154-F166 HydrophobicContact CD2-CE1 4.3Å; L154-F166 HydrophobicContact CD2-CZ 4.45Å; C157-F166 HydrophobicContact CB-CD2 3.77Å; C157-F166 HydrophobicContact CB-CE2 3.43Å; C157-F166 VanDerWaalsContact CB-CE2 3.43Å; C157-F166 HydrophobicContact CB-CZ 4.02Å; V161-F166 HydrophobicContact CG1-CB 4.36Å; V161-F166 HydrophobicContact CG1-CD2 4.34Å; V161-F166 HydrophobicContact CG2-CB 3.66Å; Y164-F166 PolarHBondContact O-N 3.28Å; F166-T168 HydrophobicContact CD1-CG2 4.49Å; F166-T168 HydrophobicContact CE1-CG2 3.55Å; F166-T168 HydrophobicContact CZ-CG2 4.01Å; F166-F187 HydrophobicContact CB-CB 4.21Å; F166-F187 HydrophobicContact CB-CD2 3.77Å; F166-F187 HydrophobicContact CB-CG 4.23Å; F166-F187 AromaticContact CD1-CD2 3.45Å; F166-F187 HydrophobicContact CD1-CD2 3.45Å; F166-F187 VanDerWaalsContact CD1-CD2 3.45Å; F166-F187 AromaticContact CD1-CE2 3.4Å; F166-F187 HydrophobicContact CD1-CE2 3.4Å; F166-F187 HydrophobicContact CD1-CZ 4.49Å; F166-F187 HydrophobicContact CE1-CD2 4.4Å; F166-F187 AromaticContact CE1-CE2 3.91Å; F166-F187 HydrophobicContact CE1-CE2 3.91Å; F166-F187 HydrophobicContact CG-CD2 4.02Å; F166-F187 HydrophobicContact CG-CE2 4.29Å; F166-F187 PolarHBondContact O-N 2.92Å
167T50.2Low60.4Low2 Ų250.7 Ų50.71%0.01226%0.263CS..  trans-138.6100.6165.7-49.70000108.6S48 I132 V165 M184S48-T167 WeakPolarHBondContact CB-OG1 3.48Å; I132-T167 CarbonylContact O-C 3.46Å; V165-T167 WeakPolarHBondContact CG1-OG1 3.37Å; T167-M184 HydrophobicContact CG2-CB 3.6Å; T167-M184 HydrophobicContact CG2-CE 3.57Å; T167-M184 HydrophobicContact CG2-CG 3.67Å; T167-M184 HydrophobicContact CG2-SD 4.47Å
168T52.7Low58.9Low2 Ų258.9 Ų58.91%0.01231%0.306CS..  trans-78.9141.1158.8-170.70000108.7F166 F170F166-T168 HydrophobicContact CD1-CG2 4.49Å; F166-T168 HydrophobicContact CE1-CG2 3.55Å; F166-T168 HydrophobicContact CZ-CG2 4.01Å; T168-F170 HydrophobicContact CG2-CD2 3.88Å; T168-F170 HydrophobicContact CG2-CE1 4.41Å; T168-F170 HydrophobicContact CG2-CE2 3.17Å; T168-F170 HydrophobicContact CG2-CZ 3.46Å; T168-F170 VanDerWaalsContact CG2-CZ 3.46Å
169A53.6Low57.4Low3 Ų360.2 Ų60.23%0.02532%0.317CS..EExtended strand (participates in β ladder)trans-95.2121.316600000107.3F45 V182 F183F45-A169 HydrophobicContact CD1-CB 3.54Å; F45-A169 HydrophobicContact CD2-CB 4.07Å; F45-A169 HydrophobicContact CE1-CB 3.28Å; F45-A169 HydrophobicContact CE2-CB 3.84Å; F45-A169 HydrophobicContact CG-CB 3.95Å; F45-A169 HydrophobicContact CZ-CB 3.45Å; F45-A169 VanDerWaalsContact CZ-CB 3.45Å; A169-V182 HydrophobicContact CB-CG1 3.57Å; A169-F183 VanDerWaalsContact CA-O 3.31Å; A169-F183 WeakPolarHBondContact CA-O 3.37Å
170F55.1Low56.1Low10 Ų1059.4 Ų59.44%0.04431%0.309CS..EExtended strand (participates in β ladder)trans-89.1105.3170.4-68-88000108.3P144 V149 T168 V182 F183 M185 V197P144-F170 VanDerWaalsContact CD-CE1 3.46Å; P144-F170 HydrophobicContact CG-CD1 4.26Å; P144-F170 HydrophobicContact CG-CE1 4Å; V149-F170 HydrophobicContact CG1-CE1 3.57Å; V149-F170 HydrophobicContact CG1-CZ 4.17Å; T168-F170 HydrophobicContact CG2-CD2 3.88Å; T168-F170 HydrophobicContact CG2-CE1 4.41Å; T168-F170 HydrophobicContact CG2-CE2 3.17Å; T168-F170 HydrophobicContact CG2-CZ 3.46Å; T168-F170 VanDerWaalsContact CG2-CZ 3.46Å; F170-V182 WeakPolarHBondContact O-CA 3.49Å; F170-F183 HydrophobicContact CB-CB 3.99Å; F170-F183 HydrophobicContact CB-CD2 3.92Å; F170-F183 HydrophobicContact CB-CG 4.44Å; F170-F183 HydrophobicContact CD2-CB 3.89Å; F170-F183 HydrophobicContact CG-CB 4.33Å; F170-F183 PolarHBondContact N-O 2.77Å; F170-F183 PolarHBondContact O-N 3.35Å; F170-F183 VanDerWaalsContact O-N 3.15Å; F170-M185 HydrophobicContact CE2-CG 3.89Å; F170-M185 HydrophobicContact CE2-SD 3.61Å; F170-M185 HydrophobicContact CZ-SD 4.17Å; F170-V197 HydrophobicContact CD1-CG1 4.14Å; F170-V197 HydrophobicContact CE1-CG1 3.16Å; F170-V197 HydrophobicContact CE2-CG1 4.29Å; F170-V197 HydrophobicContact CZ-CB 4.35Å; F170-V197 HydrophobicContact CZ-CG1 3.26Å; F170-V197 HydrophobicContact CZ-CG2 4.13Å
171A55.3Low54.4Low17 Ų1761.8 Ų61.814%0.1432%0.323CS..EExtended strand (participates in β ladder)trans-89.6115.7172.700000109.1H41 A143 V181H41-A171 HydrophobicContact CB-CB 3.92Å; A143-A171 PolarHBondContact N-O 3.11Å; A143-A171 PolarHBondContact O-N 3.11Å; A171-V181 WeakPolarHBondContact CA-O 3.47Å
172M51.9Low53.2Low23 Ų2363.6 Ų63.611%0.11333%0.334CS..EExtended strand (participates in β ladder)trans-108.2124.7167.4170.7177.958.200108.7L142 I174 E180 V181 L204L142-M172 HydrophobicContact CD2-CB 3.97Å; L142-M172 HydrophobicContact CD2-CG 3.64Å; L142-M172 HydrophobicContact CD2-SD 3.94Å; M172-I174 HydrophobicContact CE-CD1 4.42Å; M172-I174 HydrophobicContact CE-CG1 4.13Å; M172-I174 HydrophobicContact CG-CG1 4.44Å; M172-E180 WeakPolarHBondContact O-CA 3.23Å; M172-V181 HydrophobicContact CE-CB 3.99Å; M172-V181 HydrophobicContact CE-CG1 4.49Å; M172-V181 HydrophobicContact CE-CG2 4.14Å; M172-V181 PolarHBondContact N-O 3.46Å; M172-V181 PolarHBondContact O-N 2.97Å; M172-L204 HydrophobicContact CE-CD1 4.17Å; M172-L204 HydrophobicContact CE-CD2 3.63Å; M172-L204 HydrophobicContact CE-CG 4.35Å; M172-L204 HydrophobicContact SD-CB 3.75Å; M172-L204 HydrophobicContact SD-CD1 4.05Å; M172-L204 HydrophobicContact SD-CD2 3.84Å; M172-L204 HydrophobicContact SD-CG 4.08Å
173K52Low52.7Low94 Ų9461.9 Ų61.941%0.40933%0.326SS..EExtended strand (participates in β ladder)trans-90.7111.6170.2-168162.5-173.9166.50108.9L141L141-K173 HydrophobicContact CD2-CB 4.44Å; L141-K173 PolarHBondContact O-N 3.44Å
174I52.6Low52.7Low65 Ų6559.3 Ų59.333%0.33331%0.305SS..  trans-76.8128.1175.6-58.5172.2000108.1M172 N176 E177 V181M172-I174 HydrophobicContact CE-CD1 4.42Å; M172-I174 HydrophobicContact CE-CG1 4.13Å; M172-I174 HydrophobicContact CG-CG1 4.44Å; I174-N176 PolarHBondContact O-N 3.17Å; I174-E177 HydrophobicContact CB-CB 3.89Å; I174-E177 HydrophobicContact CB-CG 3.93Å; I174-E177 HydrophobicContact CG2-CB 4.12Å; I174-E177 HydrophobicContact CG2-CG 3.65Å; I174-E177 PolarHBondContact O-N 3.44Å; I174-V181 HydrophobicContact CD1-CG2 3.69Å; I174-V181 HydrophobicContact CG1-CG2 4.38Å
175P48.1Very low52.9Low67 Ų6756 Ų5644%0.43529%0.293SS..THydrogen-bonded Turntrans-54.8137.1175-26.435.2000112.2L141 E177L141-P175 HydrophobicContact CD1-CG 3.68Å; L141-P175 HydrophobicContact CD2-CG 4.35Å; P175-E177 PolarHBondContact O-N 3.47Å; P175-E177 VanDerWaalsContact O-N 3.13Å
176N53.8Low53Low177 Ų17758.6 Ų58.695%0.94731%0.31SS*.THydrogen-bonded Turntrans65-0.4-178.5-51.9-44.5000116.5I174I174-N176 PolarHBondContact O-N 3.17Å
177E49.9Very low52.8Low109 Ų10959.9 Ų59.951%0.50932%0.316SS..  trans-93.9143.4169.4-72.1-71.4169.300110.2I174 P175I174-E177 HydrophobicContact CB-CB 3.89Å; I174-E177 HydrophobicContact CB-CG 3.93Å; I174-E177 HydrophobicContact CG2-CB 4.12Å; I174-E177 HydrophobicContact CG2-CG 3.65Å; I174-E177 PolarHBondContact O-N 3.44Å; P175-E177 PolarHBondContact O-N 3.47Å; P175-E177 VanDerWaalsContact O-N 3.13Å
178L51.3Low52.6Low171 Ų17167.5 Ų67.590%0.89535%0.349SS*.SBendtrans-74.5-20.6172.9-76.9161.7000112
179N46.9Very low52.1Low113 Ų11374.5 Ų74.560%0.60439%0.386SS*.PPolyproline II helixtrans-103.4137-167.9-61.1-44000112
180E58.1Low51.3Low44 Ų4480 Ų8021%0.20642%0.419CS..EExtended strand (participates in β ladder)trans-87.3137.8169-66.2162.7171.800109.3H41 M172H41-E180 IonicContact CE1-OE2 2.6Å; H41-E180 IonicContact CG-OE2 3.3Å; H41-E180 IonicContact ND1-OE1 2.64Å; H41-E180 IonicContact ND1-OE2 3.42Å; H41-E180 PolarHBondContact ND1-OE2 3.23Å; M172-E180 WeakPolarHBondContact O-CA 3.23Å
181V52Low50.6Low50 Ų5081.3 Ų81.330%0.30343%0.428SS..EExtended strand (participates in β ladder)trans-90129.2170.3-179.60000108.3A171 M172 I174 F183A171-V181 WeakPolarHBondContact CA-O 3.47Å; M172-V181 HydrophobicContact CE-CB 3.99Å; M172-V181 HydrophobicContact CE-CG1 4.49Å; M172-V181 HydrophobicContact CE-CG2 4.14Å; M172-V181 PolarHBondContact N-O 3.46Å; M172-V181 PolarHBondContact O-N 2.97Å; I174-V181 HydrophobicContact CD1-CG2 3.69Å; I174-V181 HydrophobicContact CG1-CG2 4.38Å; V181-F183 HydrophobicContact CB-CE2 4.41Å; V181-F183 HydrophobicContact CG1-CD2 4.19Å; V181-F183 HydrophobicContact CG1-CE1 4.34Å; V181-F183 HydrophobicContact CG1-CE2 3.52Å; V181-F183 HydrophobicContact CG1-CZ 3.62Å
182V54.9Low49.8Very low41 Ų4188.3 Ų88.325%0.24846%0.463CS..EExtended strand (participates in β ladder)trans-118.3119.1-178.7-171.60000111.9H41 A44 A169 F170H41-V182 HydrophobicContact CB-CG2 3.72Å; A44-V182 HydrophobicContact CB-CB 3.88Å; A44-V182 HydrophobicContact CB-CG1 3.32Å; A44-V182 HydrophobicContact CB-CG2 4.22Å; A169-V182 HydrophobicContact CB-CG1 3.57Å; F170-V182 WeakPolarHBondContact O-CA 3.49Å
183F56Low49Very low72 Ų7292 Ų9232%0.31649%0.488SS..EExtended strand (participates in β ladder)trans-100.5128.9173.5-55.4-92.4000111A169 F170 V181 L204A169-F183 VanDerWaalsContact CA-O 3.31Å; A169-F183 WeakPolarHBondContact CA-O 3.37Å; F170-F183 HydrophobicContact CB-CB 3.99Å; F170-F183 HydrophobicContact CB-CD2 3.92Å; F170-F183 HydrophobicContact CB-CG 4.44Å; F170-F183 HydrophobicContact CD2-CB 3.89Å; F170-F183 HydrophobicContact CG-CB 4.33Å; F170-F183 PolarHBondContact N-O 2.77Å; F170-F183 PolarHBondContact O-N 3.35Å; F170-F183 VanDerWaalsContact O-N 3.15Å; V181-F183 HydrophobicContact CB-CE2 4.41Å; V181-F183 HydrophobicContact CG1-CD2 4.19Å; V181-F183 HydrophobicContact CG1-CE1 4.34Å; V181-F183 HydrophobicContact CG1-CE2 3.52Å; V181-F183 HydrophobicContact CG1-CZ 3.62Å; F183-L204 HydrophobicContact CE2-CD1 3.94Å; F183-L204 HydrophobicContact CZ-CD1 4.41Å
184M54.6Low48.3Very low59 Ų5990.2 Ų90.229%0.29149%0.485SS..EExtended strand (participates in β ladder)trans-105.3123.4170.8-70.1175.673.700109H47 I51 T167 P186H47-M184 HydrophobicContact CB-CE 3.48Å; H47-M184 VanDerWaalsContact CB-CE 3.48Å; H47-M184 HydrophobicContact CB-SD 3.77Å; I51-M184 HydrophobicContact CD1-CE 3.93Å; T167-M184 HydrophobicContact CG2-CB 3.6Å; T167-M184 HydrophobicContact CG2-CE 3.57Å; T167-M184 HydrophobicContact CG2-CG 3.67Å; T167-M184 HydrophobicContact CG2-SD 4.47Å; M184-P186 WeakPolarHBondContact O-CD 3.34Å
185M57.8Low48Very low31 Ų3190.8 Ų90.815%0.15349%0.492CS..  trans-107.797177.4-66.3-170.684.100111.3F170 F187 V195 V197F170-M185 HydrophobicContact CE2-CG 3.89Å; F170-M185 HydrophobicContact CE2-SD 3.61Å; F170-M185 HydrophobicContact CZ-SD 4.17Å; M185-F187 PolarHBondContact O-N 3.49Å; M185-V195 HydrophobicContact CE-CB 3.59Å; M185-V195 HydrophobicContact CE-CG2 3.61Å; M185-V197 HydrophobicContact CE-CG2 4.19Å; M185-V197 HydrophobicContact SD-CG2 3.72Å
186P53.5Low48Very low80 Ų8091.2 Ų91.252%0.51949%0.49SS..  trans-72.411517428.8-32.3000110.2V165 M184 K188V165-P186 HydrophobicContact CG1-CB 3.84Å; M184-P186 WeakPolarHBondContact O-CD 3.34Å; P186-K188 PolarHBondContact O-N 3.49Å
187F49Very low47.6Very low28 Ų2882.9 Ų82.912%0.12345%0.446CS..  trans-76.9110166-79-108.6000108.1K158 F166 M185 V191K158-F187 HydrophobicContact CD-CD1 4.37Å; F166-F187 HydrophobicContact CB-CB 4.21Å; F166-F187 HydrophobicContact CB-CD2 3.77Å; F166-F187 HydrophobicContact CB-CG 4.23Å; F166-F187 AromaticContact CD1-CD2 3.45Å; F166-F187 HydrophobicContact CD1-CD2 3.45Å; F166-F187 VanDerWaalsContact CD1-CD2 3.45Å; F166-F187 AromaticContact CD1-CE2 3.4Å; F166-F187 HydrophobicContact CD1-CE2 3.4Å; F166-F187 HydrophobicContact CD1-CZ 4.49Å; F166-F187 HydrophobicContact CE1-CD2 4.4Å; F166-F187 AromaticContact CE1-CE2 3.91Å; F166-F187 HydrophobicContact CE1-CE2 3.91Å; F166-F187 HydrophobicContact CG-CD2 4.02Å; F166-F187 HydrophobicContact CG-CE2 4.29Å; F166-F187 PolarHBondContact O-N 2.92Å; M185-F187 PolarHBondContact O-N 3.49Å; F187-V191 HydrophobicContact CD1-CB 3.95Å; F187-V191 HydrophobicContact CD1-CG2 3.66Å; F187-V191 HydrophobicContact CE1-CB 3.58Å; F187-V191 HydrophobicContact CE1-CG1 3.69Å; F187-V191 HydrophobicContact CE1-CG2 3.49Å; F187-V191 VanDerWaalsContact CE1-CG2 3.49Å; F187-V191 HydrophobicContact CE2-CG2 4.48Å; F187-V191 HydrophobicContact CG-CG2 4.25Å; F187-V191 HydrophobicContact CZ-CB 4.34Å; F187-V191 HydrophobicContact CZ-CG1 4.13Å; F187-V191 HydrophobicContact CZ-CG2 3.94Å
188K45.7Very low47.5Very low162 Ų16279.6 Ų79.670%0.70444%0.438SS*.SBendtrans-120-53.3162.1-161.2171.1177.2-176.20112.7P186P186-K188 PolarHBondContact O-N 3.49Å
189D42.6Very low47.4Very low149 Ų14974.9 Ų74.980%0.79741%0.413SS*.SBendtrans-156.3-1.8176.2-75.5-60.5000113.8
190T36.1Very low47.6Very low117 Ų11771.6 Ų71.672%0.71840%0.396SS*.  trans-95.73-166.524.20000115.8N192T190-N192 PolarHBondContact O-N 3.49Å
191V40.6Very low47.1Very low38 Ų3870.3 Ų70.323%0.2339%0.391CS..THydrogen-bonded Turntrans-97.763.7178.8-165.50000110.7F187 T193F187-V191 HydrophobicContact CD1-CB 3.95Å; F187-V191 HydrophobicContact CD1-CG2 3.66Å; F187-V191 HydrophobicContact CE1-CB 3.58Å; F187-V191 HydrophobicContact CE1-CG1 3.69Å; F187-V191 HydrophobicContact CE1-CG2 3.49Å; F187-V191 VanDerWaalsContact CE1-CG2 3.49Å; F187-V191 HydrophobicContact CE2-CG2 4.48Å; F187-V191 HydrophobicContact CG-CG2 4.25Å; F187-V191 HydrophobicContact CZ-CB 4.34Å; F187-V191 HydrophobicContact CZ-CG1 4.13Å; F187-V191 HydrophobicContact CZ-CG2 3.94Å; V191-T193 WeakPolarHBondContact CG1-O 3.48Å
192N38.1Very low47Very low164 Ų16471.4 Ų71.488%0.87740%0.395SS*.THydrogen-bonded Turntrans-84.8-23.4149.8-85.8-22.1000110.8T190T190-N192 PolarHBondContact O-N 3.49Å
193T35.2Very low46.7Very low102 Ų10274.7 Ų74.763%0.62641%0.407SS*.SBendtrans-101.911415938.10000105.8V191 V195V191-T193 WeakPolarHBondContact CG1-O 3.48Å; T193-V195 VanDerWaalsContact C-N 3.34Å; T193-V195 PolarHBondContact O-N 2.8Å
194P38.4Very low46.2Very low55 Ų5572.5 Ų72.536%0.35740%0.398SS..  trans-43.2118.2144.3-15.629000103.6D196P194-D196 WeakPolarHBondContact O-CA 3.42Å; P194-D196 PolarHBondContact O-N 2.71Å
195V45.6Very low45.8Very low78 Ų7875 Ų7547%0.47341%0.41SS..  trans-47.7107.9147176.10000100.3M185 T193 V197 L200M185-V195 HydrophobicContact CE-CB 3.59Å; M185-V195 HydrophobicContact CE-CG2 3.61Å; T193-V195 VanDerWaalsContact C-N 3.34Å; T193-V195 PolarHBondContact O-N 2.8Å; V195-V197 WeakPolarHBondContact O-CA 2.95Å; V195-V197 WeakPolarHBondContact O-CG2 3.31Å; V195-V197 PolarHBondContact O-N 2.86Å; V195-L200 HydrophobicContact CG1-CD2 4.27Å
196D48.3Very low45.3Very low75 Ų7578.5 Ų78.540%0.40143%0.429SS..  trans-63.193.2-160.6176.4-15.9000104.8P194 A198 N199 L200P194-D196 WeakPolarHBondContact O-CA 3.42Å; P194-D196 PolarHBondContact O-N 2.71Å; D196-A198 PolarHBondContact O-N 3.17Å; D196-N199 HydrophobicContact CB-CB 3.73Å; D196-N199 CarbonylContact O-C 3.5Å; D196-N199 VanDerWaalsContact O-CA 3.3Å; D196-N199 WeakPolarHBondContact O-CA 3.49Å; D196-N199 WeakPolarHBondContact O-CB 3.35Å; D196-N199 PolarHBondContact O-N 2.84Å; D196-N199 PolarHBondContact OD1-N 3.43Å; D196-N199 PolarHBondContact OD2-ND2 3.44Å; D196-L200 PolarHBondContact O-N 3.14Å
197V45.3Very low44.8Very low3 Ų379 Ų792%0.01843%0.427CS..Hα-helixtrans-71.2-32.9-160.9173.40000106.4V149 L154 F170 M185 V195 L200 C201V149-V197 HydrophobicContact CB-CB 4.06Å; V149-V197 HydrophobicContact CB-CG1 3.61Å; V149-V197 HydrophobicContact CG1-CB 4.44Å; V149-V197 HydrophobicContact CG1-CG1 3.49Å; V149-V197 VanDerWaalsContact CG1-CG1 3.49Å; V149-V197 HydrophobicContact CG2-CG1 4.31Å; L154-V197 HydrophobicContact CD1-CG2 4.44Å; F170-V197 HydrophobicContact CD1-CG1 4.14Å; F170-V197 HydrophobicContact CE1-CG1 3.16Å; F170-V197 HydrophobicContact CE2-CG1 4.29Å; F170-V197 HydrophobicContact CZ-CB 4.35Å; F170-V197 HydrophobicContact CZ-CG1 3.26Å; F170-V197 HydrophobicContact CZ-CG2 4.13Å; M185-V197 HydrophobicContact CE-CG2 4.19Å; M185-V197 HydrophobicContact SD-CG2 3.72Å; V195-V197 WeakPolarHBondContact O-CA 2.95Å; V195-V197 WeakPolarHBondContact O-CG2 3.31Å; V195-V197 PolarHBondContact O-N 2.86Å; V197-L200 PolarHBondContact O-N 3.3Å; V197-C201 WeakPolarHBondContact O-CB 3.29Å; V197-C201 PolarHBondContact O-N 3.01Å; V197-C201 PolarHBondContact O-SG 3.39Å
198A46.7Very low44.4Very low40 Ų4080.5 Ų80.533%0.33145%0.45SS..Hα-helixtrans-57.6-50.8165.300000110.8D196 L200 C201 I202D196-A198 PolarHBondContact O-N 3.17Å; A198-L200 PolarHBondContact O-N 2.96Å; A198-C201 PolarHBondContact O-N 2.91Å; A198-I202 WeakPolarHBondContact O-CB 3.5Å; A198-I202 WeakPolarHBondContact O-CD1 3.36Å; A198-I202 WeakPolarHBondContact O-CG1 3.46Å; A198-I202 PolarHBondContact O-N 3.44Å
199N50.7Low43.8Very low72 Ų7276.4 Ų76.439%0.38545%0.446SS..Hα-helixtrans-65.2-32.2174.2-88.1-29.2000114D196 Q203D196-N199 HydrophobicContact CB-CB 3.73Å; D196-N199 CarbonylContact O-C 3.5Å; D196-N199 VanDerWaalsContact O-CA 3.3Å; D196-N199 WeakPolarHBondContact O-CA 3.49Å; D196-N199 WeakPolarHBondContact O-CB 3.35Å; D196-N199 PolarHBondContact O-N 2.84Å; D196-N199 PolarHBondContact OD1-N 3.43Å; D196-N199 PolarHBondContact OD2-ND2 3.44Å; N199-Q203 WeakPolarHBondContact O-CA 3.33Å; N199-Q203 WeakPolarHBondContact O-CB 3.47Å; N199-Q203 WeakPolarHBondContact O-CG 3.41Å; N199-Q203 PolarHBondContact O-N 3.4Å
200L50.5Low43Very low44 Ų4474.6 Ų74.623%0.2343%0.434CS..Hα-helixtrans-69.8-46.7175.4-179.265.9000108.8V195 D196 V197 A198 Q203 L204V195-L200 HydrophobicContact CG1-CD2 4.27Å; D196-L200 PolarHBondContact O-N 3.14Å; V197-L200 PolarHBondContact O-N 3.3Å; A198-L200 PolarHBondContact O-N 2.96Å; L200-Q203 CarbonylContact O-C 3.58Å; L200-Q203 PolarHBondContact O-N 2.65Å; L200-L204 HydrophobicContact CD1-CD1 4.32Å; L200-L204 HydrophobicContact CD1-CG 4.26Å; L200-L204 HydrophobicContact CG-CD1 3.95Å; L200-L204 HydrophobicContact CG-CG 4.31Å; L200-L204 WeakPolarHBondContact O-CB 3.5Å; L200-L204 WeakPolarHBondContact O-CG 3.37Å; L200-L204 PolarHBondContact O-N 3.17Å
201C47.7Very low42.7Very low17 Ų1774.9 Ų74.912%0.11544%0.438CS..Hα-helixtrans-58.4-48.8172.6-72.60000110.8L142 V197 A198 Q203 L204 E205L142-C201 HydrophobicContact CD1-CB 4.12Å; L142-C201 VanDerWaalsContact CD1-O 3.24Å; L142-C201 WeakPolarHBondContact CD1-O 3.48Å; V197-C201 WeakPolarHBondContact O-CB 3.29Å; V197-C201 PolarHBondContact O-N 3.01Å; V197-C201 PolarHBondContact O-SG 3.39Å; A198-C201 PolarHBondContact O-N 2.91Å; C201-Q203 PolarHBondContact O-N 3.1Å; C201-L204 CarbonylContact O-C 3.32Å; C201-L204 PolarHBondContact O-N 3.17Å; C201-E205 WeakPolarHBondContact O-CB 3.27Å; C201-E205 PolarHBondContact O-N 3.25Å
202I50Low42.1Very low73 Ų7383.5 Ų83.537%0.37447%0.467SS..Hα-helixtrans-61.6-42.9175-70.5162.7000110.4A198 L204 E205 N206A198-I202 WeakPolarHBondContact O-CB 3.5Å; A198-I202 WeakPolarHBondContact O-CD1 3.36Å; A198-I202 WeakPolarHBondContact O-CG1 3.46Å; A198-I202 PolarHBondContact O-N 3.44Å; I202-L204 VanDerWaalsContact C-N 3.34Å; I202-E205 PolarHBondContact O-N 2.67Å; I202-N206 WeakPolarHBondContact CG2-ND2 3.43Å; I202-N206 WeakPolarHBondContact O-CB 3.39Å; I202-N206 PolarHBondContact O-N 2.73Å; I202-N206 PolarHBondContact O-ND2 3.26Å
203Q48.1Very low41.4Very low110 Ų11078.6 Ų78.651%0.51446%0.455SS..Hα-helixtrans-64.8-38.9176.2-80.6170.8-3.700110.9N199 L200 C201 N206 L207N199-Q203 WeakPolarHBondContact O-CA 3.33Å; N199-Q203 WeakPolarHBondContact O-CB 3.47Å; N199-Q203 WeakPolarHBondContact O-CG 3.41Å; N199-Q203 PolarHBondContact O-N 3.4Å; L200-Q203 CarbonylContact O-C 3.58Å; L200-Q203 PolarHBondContact O-N 2.65Å; C201-Q203 PolarHBondContact O-N 3.1Å; Q203-N206 CarbonylContact O-C 3.5Å; Q203-N206 PolarHBondContact O-N 2.82Å; Q203-L207 WeakPolarHBondContact O-CB 3.29Å; Q203-L207 WeakPolarHBondContact O-CD1 2.9Å; Q203-L207 WeakPolarHBondContact O-CG 3.25Å; Q203-L207 PolarHBondContact O-N 2.84Å
204L46Very low41Very low25 Ų2579.5 Ų79.513%0.13146%0.46CS..Hα-helixtrans-70.9-40.7176.7-73.1175.1000111.5L142 M172 F183 L200 C201 I202 N206 L207 G208L142-L204 HydrophobicContact CD2-CB 4.41Å; M172-L204 HydrophobicContact CE-CD1 4.17Å; M172-L204 HydrophobicContact CE-CD2 3.63Å; M172-L204 HydrophobicContact CE-CG 4.35Å; M172-L204 HydrophobicContact SD-CB 3.75Å; M172-L204 HydrophobicContact SD-CD1 4.05Å; M172-L204 HydrophobicContact SD-CD2 3.84Å; M172-L204 HydrophobicContact SD-CG 4.08Å; F183-L204 HydrophobicContact CE2-CD1 3.94Å; F183-L204 HydrophobicContact CZ-CD1 4.41Å; L200-L204 HydrophobicContact CD1-CD1 4.32Å; L200-L204 HydrophobicContact CD1-CG 4.26Å; L200-L204 HydrophobicContact CG-CD1 3.95Å; L200-L204 HydrophobicContact CG-CG 4.31Å; L200-L204 WeakPolarHBondContact O-CB 3.5Å; L200-L204 WeakPolarHBondContact O-CG 3.37Å; L200-L204 PolarHBondContact O-N 3.17Å; C201-L204 CarbonylContact O-C 3.32Å; C201-L204 PolarHBondContact O-N 3.17Å; I202-L204 VanDerWaalsContact C-N 3.34Å; L204-N206 VanDerWaalsContact C-N 3.32Å; L204-L207 HydrophobicContact CD2-CD1 3.83Å; L204-L207 WeakPolarHBondContact O-CB 3.34Å; L204-L207 PolarHBondContact O-N 2.83Å; L204-G208 PolarHBondContact O-N 3.46Å
205E46.5Very low40.4Very low113 Ų11386 Ų8653%0.52849%0.485SS..Hα-helixtrans-58.4-45.1168.4-113.3161.4-154.500110.4L142 C201 I202 G208 A209L142-E205 HydrophobicContact CD1-CB 3.94Å; L142-E205 HydrophobicContact CD1-CG 3.39Å; L142-E205 WeakPolarHBondContact CD1-OE1 3.37Å; L142-E205 HydrophobicContact CG-CG 4.09Å; C201-E205 WeakPolarHBondContact O-CB 3.27Å; C201-E205 PolarHBondContact O-N 3.25Å; I202-E205 PolarHBondContact O-N 2.67Å; E205-G208 WeakPolarHBondContact O-CA 3.35Å; E205-G208 PolarHBondContact O-N 3.07Å; E205-G208 VanDerWaalsContact O-N 3.13Å; E205-A209 PolarHBondContact O-N 2.59Å
206N46.1Very low39.5Very low103 Ų10388.8 Ų88.855%0.55150%0.498SS*.Hα-helixtrans-70.4-28.9176.4-71.5-31.2000112.6I202 Q203 L204 G208 A209I202-N206 WeakPolarHBondContact CG2-ND2 3.43Å; I202-N206 WeakPolarHBondContact O-CB 3.39Å; I202-N206 PolarHBondContact O-N 2.73Å; I202-N206 PolarHBondContact O-ND2 3.26Å; Q203-N206 CarbonylContact O-C 3.5Å; Q203-N206 PolarHBondContact O-N 2.82Å; L204-N206 VanDerWaalsContact C-N 3.32Å; N206-G208 VanDerWaalsContact C-N 3.25Å; N206-A209 CarbonylContact O-C 3.53Å; N206-A209 WeakPolarHBondContact O-CA 3.3Å; N206-A209 WeakPolarHBondContact O-CB 3.49Å; N206-A209 PolarHBondContact O-N 3.07Å
207L43.8Very low38.7Very low92 Ų9288.4 Ų88.448%0.48251%0.512SS..Hα-helixtrans-67.7-29.9170.7-78161.4000110.6Q203 L204 A209 M210Q203-L207 WeakPolarHBondContact O-CB 3.29Å; Q203-L207 WeakPolarHBondContact O-CD1 2.9Å; Q203-L207 WeakPolarHBondContact O-CG 3.25Å; Q203-L207 PolarHBondContact O-N 2.84Å; L204-L207 HydrophobicContact CD2-CD1 3.83Å; L204-L207 WeakPolarHBondContact O-CB 3.34Å; L204-L207 PolarHBondContact O-N 2.83Å; L207-A209 PolarHBondContact O-N 3.23Å; L207-M210 HydrophobicContact CD2-CE 4.03Å; L207-M210 HydrophobicContact CD2-SD 4.32Å; L207-M210 PolarHBondContact O-N 2.98Å; L207-M210 VanDerWaalsContact O-N 3.16Å
208G40Very low38Very low59 Ų5994.5 Ų94.561%0.60855%0.549SS*.THydrogen-bonded Turntrans-66.6-11.9166.700000114.6L204 E205 N206L204-G208 PolarHBondContact O-N 3.46Å; E205-G208 WeakPolarHBondContact O-CA 3.35Å; E205-G208 PolarHBondContact O-N 3.07Å; E205-G208 VanDerWaalsContact O-N 3.13Å; N206-G208 VanDerWaalsContact C-N 3.25Å
209A34.2Very low37.7Very low76 Ų76100.6 Ų100.663%0.62858%0.576SS**THydrogen-bonded Turntrans-102.512.8171.900000113.2E205 N206 L207 P211E205-A209 PolarHBondContact O-N 2.59Å; N206-A209 CarbonylContact O-C 3.53Å; N206-A209 WeakPolarHBondContact O-CA 3.3Å; N206-A209 WeakPolarHBondContact O-CB 3.49Å; N206-A209 PolarHBondContact O-N 3.07Å; L207-A209 PolarHBondContact O-N 3.23Å; A209-P211 WeakPolarHBondContact O-CD 3.37Å
210M26Very low36.9Very low110 Ų110100.1 Ų100.154%0.54259%0.588SS.*  trans-73.9118.3169-81.8-152.917600110.1L207 W212L207-M210 HydrophobicContact CD2-CE 4.03Å; L207-M210 HydrophobicContact CD2-SD 4.32Å; L207-M210 PolarHBondContact O-N 2.98Å; L207-M210 VanDerWaalsContact O-N 3.16Å; M210-W212 VanDerWaalsContact C-N 3.29Å; M210-W212 PolarHBondContact O-N 3.09Å
211P28.3Very low36.3Very low124 Ų124107.6 Ų107.681%0.80564%0.644SS**  trans-7689.8171.532.7-28.2000106.5A209 G213A209-P211 WeakPolarHBondContact O-CD 3.37Å; P211-G213 PolarHBondContact O-N 2.88Å
212W27.7Very low35.7Very low219 Ų219112.1 Ų112.183%0.8367%0.671SS**  trans-66.195.3157.7-72.794.3000106.4M210 V214M210-W212 VanDerWaalsContact C-N 3.29Å; M210-W212 PolarHBondContact O-N 3.09Å; W212-V214 PolarHBondContact O-N 2.72Å
213G25.4Very low35Very low61 Ų61114.2 Ų114.263%0.62969%0.686SS**  trans-56.2120.5163.800000107.4P211 E215P211-G213 PolarHBondContact O-N 2.88Å; G213-E215 VanDerWaalsContact C-N 3.28Å; G213-E215 PolarHBondContact O-N 2.92Å
214V26.4Very low34.2Very low120 Ų120114.4 Ų114.473%0.72770%0.696SS**  trans-61100.7160.8-178.80000105.4W212 N216W212-V214 PolarHBondContact O-N 2.72Å; V214-N216 WeakPolarHBondContact CG1-OD1 3.44Å; V214-N216 PolarHBondContact O-N 3.15Å
215E24.5Very low33.5Very low191 Ų191119.6 Ų119.689%0.89373%0.729SS**  trans-62.894.2159.5-82.4-171.8163.900106.1G213 G217G213-E215 VanDerWaalsContact C-N 3.28Å; G213-E215 PolarHBondContact O-N 2.92Å; E215-G217 PolarHBondContact O-N 3.06Å
216N28.4Very low32.7Very low137 Ų137120.1 Ų120.173%0.73374%0.741SS**  trans-65.189.8158.2-73.6-35.2000105.6V214 T218V214-N216 WeakPolarHBondContact CG1-OD1 3.44Å; V214-N216 PolarHBondContact O-N 3.15Å; N216-T218 VanDerWaalsContact C-N 3.33Å; N216-T218 PolarHBondContact O-N 3.2Å
217G29.8Very low31.8Very low67 Ų67121.2 Ų121.269%0.69175%0.754SS**  trans-53.6101.1169.400000108.4E215 N219E215-G217 PolarHBondContact O-N 3.06Å; G217-N219 PolarHBondContact O-N 3.05Å; G217-N219 VanDerWaalsContact O-N 3.16Å
218T32.2Very low31Very low132 Ų132123.3 Ų123.381%0.8177%0.774SS**  trans-68.8106.5159.350.40000105.1N216 G220N216-T218 VanDerWaalsContact C-N 3.33Å; N216-T218 PolarHBondContact O-N 3.2Å; T218-G220 VanDerWaalsContact C-N 3.34Å; T218-G220 PolarHBondContact O-N 3.37Å
219N39.5Very low30.3Very low168 Ų168128.2 Ų128.290%0.89879%0.786SS**  trans-53.7107.1163.8-83.6-14.5000107.1G217G217-N219 PolarHBondContact O-N 3.05Å; G217-N219 VanDerWaalsContact O-N 3.16Å
220G33.3Very low30Very low62 Ų62132.6 Ų132.664%0.63980%0.8SS**  trans-69.7143.4168.800000109.9T218T218-G220 VanDerWaalsContact C-N 3.34Å; T218-G220 PolarHBondContact O-N 3.37Å
221S38.3Very low30.3Very low200 Ų200134.6 Ų134.6100%1.39982%0.823SS**  trans62.7017371.10000117.7

Retrieved 221 of 221 residues in 124.6 ms (Link to these results)

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